USER MOD reduce.3.24.130724 H: found=0, std=0, add=699, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 697 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 71 HIS : no HE2:sc= -0.339 K(o=-0.12,f=-0.91) USER MOD Set 1.2: B 13 SER OG : rot 95:sc= 0.215 USER MOD Set 2.1: A 53 HIS : no HD1:sc= -1.96 K(o=-0.68,f=0.57) USER MOD Set 2.2: A 91 LYS NZ :NH3+ -139:sc= 1.27 (180deg=-0.0221) USER MOD Single : A 13 LYS NZ :NH3+ -162:sc= 1.26 (180deg=0.382) USER MOD Single : A 14 ASN : amide:sc= 0.881 K(o=0.88,f=-5.9!) USER MOD Single : A 16 ASN : amide:sc= 0.00679 K(o=0.0068,f=-1.5) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot -44:sc= 1.22 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.403 X(o=-0.4,f=-0.27) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot -90:sc= 1.59 USER MOD Single : A 32 HIS : no HD1:sc= 0.617 K(o=0.62,f=-4!) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000384) USER MOD Single : A 43 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 48 SER OG : rot 78:sc= 0.1 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -0.715 K(o=-0.72,f=-0.0085) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.127 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -0.152 X(o=-0.15,f=-0.15) USER MOD Single : A 77 THR OG1 : rot 57:sc= 1.23 USER MOD Single : A 80 ASN : amide:sc= -0.0107 K(o=-0.011,f=-0.67) USER MOD Single : A 81 THR OG1 : rot -84:sc= 1.47 USER MOD Single : A 83 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 86 HIS : no HD1:sc= 0.481 K(o=0.48,f=-1.6!) USER MOD Single : B 11 GLN : amide:sc= -0.162 X(o=-0.16,f=0) USER MOD ----------------------------------------------------------------- ATOM 53 N GLY A 4 -12.545 6.894 -10.513 1.00 0.00 N ATOM 54 CA GLY A 4 -11.517 6.295 -9.717 1.00 0.00 C ATOM 55 C GLY A 4 -10.536 5.596 -10.593 1.00 0.00 C ATOM 56 O GLY A 4 -10.498 4.367 -10.627 1.00 0.00 O ATOM 0 HA2 GLY A 4 -11.010 7.059 -9.127 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.956 5.588 -9.013 1.00 0.00 H new ATOM 60 N ASP A 5 -9.734 6.351 -11.366 1.00 0.00 N ATOM 61 CA ASP A 5 -8.776 5.812 -12.280 1.00 0.00 C ATOM 62 C ASP A 5 -7.481 5.453 -11.637 1.00 0.00 C ATOM 63 O ASP A 5 -7.193 5.840 -10.506 1.00 0.00 O ATOM 64 CB ASP A 5 -8.636 6.686 -13.538 1.00 0.00 C ATOM 65 CG ASP A 5 -8.040 8.066 -13.306 1.00 0.00 C ATOM 66 OD1 ASP A 5 -8.584 8.845 -12.477 1.00 0.00 O ATOM 67 OD2 ASP A 5 -7.034 8.405 -13.984 1.00 0.00 O ATOM 0 H ASP A 5 -9.754 7.371 -11.354 1.00 0.00 H new ATOM 0 HA ASP A 5 -9.170 4.856 -12.624 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -8.015 6.157 -14.261 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -9.621 6.805 -13.990 1.00 0.00 H new ATOM 72 N ILE A 6 -6.647 4.672 -12.348 1.00 0.00 N ATOM 73 CA ILE A 6 -5.362 4.243 -11.889 1.00 0.00 C ATOM 74 C ILE A 6 -4.329 5.298 -12.091 1.00 0.00 C ATOM 75 O ILE A 6 -4.192 5.884 -13.164 1.00 0.00 O ATOM 76 CB ILE A 6 -4.958 2.940 -12.511 1.00 0.00 C ATOM 77 CG1 ILE A 6 -5.833 1.806 -11.951 1.00 0.00 C ATOM 78 CG2 ILE A 6 -3.474 2.604 -12.284 1.00 0.00 C ATOM 79 CD1 ILE A 6 -5.833 0.550 -12.821 1.00 0.00 C ATOM 0 H ILE A 6 -6.877 4.326 -13.279 1.00 0.00 H new ATOM 0 HA ILE A 6 -5.441 4.072 -10.815 1.00 0.00 H new ATOM 0 HB ILE A 6 -5.105 3.041 -13.586 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -5.482 1.547 -10.952 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -6.857 2.166 -11.846 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -3.240 1.650 -12.757 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -2.853 3.387 -12.720 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -3.276 2.537 -11.214 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -6.470 -0.208 -12.366 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -6.212 0.795 -13.813 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -4.816 0.166 -12.906 1.00 0.00 H new ATOM 91 N PHE A 7 -3.530 5.581 -11.047 1.00 0.00 N ATOM 92 CA PHE A 7 -2.490 6.564 -11.062 1.00 0.00 C ATOM 93 C PHE A 7 -1.275 6.025 -10.390 1.00 0.00 C ATOM 94 O PHE A 7 -1.305 4.956 -9.782 1.00 0.00 O ATOM 95 CB PHE A 7 -2.951 7.910 -10.479 1.00 0.00 C ATOM 96 CG PHE A 7 -3.282 7.901 -9.027 1.00 0.00 C ATOM 97 CD1 PHE A 7 -4.399 7.254 -8.551 1.00 0.00 C ATOM 98 CD2 PHE A 7 -2.472 8.566 -8.136 1.00 0.00 C ATOM 99 CE1 PHE A 7 -4.685 7.242 -7.205 1.00 0.00 C ATOM 100 CE2 PHE A 7 -2.777 8.598 -6.795 1.00 0.00 C ATOM 101 CZ PHE A 7 -3.885 7.933 -6.325 1.00 0.00 C ATOM 0 H PHE A 7 -3.613 5.102 -10.150 1.00 0.00 H new ATOM 0 HA PHE A 7 -2.230 6.778 -12.099 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -2.167 8.648 -10.650 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -3.829 8.244 -11.032 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -5.059 6.750 -9.242 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -1.586 9.069 -8.494 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -5.538 6.690 -6.839 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -2.146 9.146 -6.111 1.00 0.00 H new ATOM 0 HZ PHE A 7 -4.125 7.953 -5.272 1.00 0.00 H new ATOM 111 N GLU A 8 -0.136 6.730 -10.517 1.00 0.00 N ATOM 112 CA GLU A 8 1.109 6.341 -9.931 1.00 0.00 C ATOM 113 C GLU A 8 1.633 7.408 -9.033 1.00 0.00 C ATOM 114 O GLU A 8 1.551 8.596 -9.339 1.00 0.00 O ATOM 115 CB GLU A 8 2.142 5.942 -10.998 1.00 0.00 C ATOM 116 CG GLU A 8 2.616 7.065 -11.922 1.00 0.00 C ATOM 117 CD GLU A 8 3.144 6.512 -13.238 1.00 0.00 C ATOM 118 OE1 GLU A 8 4.232 5.878 -13.268 1.00 0.00 O ATOM 119 OE2 GLU A 8 2.452 6.699 -14.274 1.00 0.00 O ATOM 0 H GLU A 8 -0.080 7.600 -11.046 1.00 0.00 H new ATOM 0 HA GLU A 8 0.923 5.456 -9.323 1.00 0.00 H new ATOM 0 HB2 GLU A 8 3.012 5.521 -10.494 1.00 0.00 H new ATOM 0 HB3 GLU A 8 1.714 5.149 -11.612 1.00 0.00 H new ATOM 0 HG2 GLU A 8 1.791 7.750 -12.118 1.00 0.00 H new ATOM 0 HG3 GLU A 8 3.398 7.641 -11.427 1.00 0.00 H new ATOM 126 N VAL A 9 2.156 7.015 -7.858 1.00 0.00 N ATOM 127 CA VAL A 9 2.810 7.888 -6.932 1.00 0.00 C ATOM 128 C VAL A 9 4.290 7.726 -6.973 1.00 0.00 C ATOM 129 O VAL A 9 4.817 6.630 -7.162 1.00 0.00 O ATOM 130 CB VAL A 9 2.309 7.796 -5.521 1.00 0.00 C ATOM 131 CG1 VAL A 9 0.865 8.323 -5.499 1.00 0.00 C ATOM 132 CG2 VAL A 9 2.395 6.360 -4.980 1.00 0.00 C ATOM 0 H VAL A 9 2.122 6.047 -7.539 1.00 0.00 H new ATOM 0 HA VAL A 9 2.550 8.890 -7.273 1.00 0.00 H new ATOM 0 HB VAL A 9 2.936 8.401 -4.866 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.473 8.268 -4.483 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.850 9.359 -5.838 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.246 7.716 -6.160 1.00 0.00 H new ATOM 0 HG21 VAL A 9 2.023 6.334 -3.956 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.791 5.700 -5.602 1.00 0.00 H new ATOM 0 HG23 VAL A 9 3.432 6.026 -4.998 1.00 0.00 H new ATOM 142 N GLU A 10 5.018 8.844 -6.805 1.00 0.00 N ATOM 143 CA GLU A 10 6.433 8.929 -6.994 1.00 0.00 C ATOM 144 C GLU A 10 7.053 9.533 -5.781 1.00 0.00 C ATOM 145 O GLU A 10 6.931 10.735 -5.556 1.00 0.00 O ATOM 146 CB GLU A 10 6.738 9.871 -8.171 1.00 0.00 C ATOM 147 CG GLU A 10 6.112 9.448 -9.502 1.00 0.00 C ATOM 148 CD GLU A 10 5.864 10.668 -10.377 1.00 0.00 C ATOM 149 OE1 GLU A 10 5.050 11.538 -9.967 1.00 0.00 O ATOM 150 OE2 GLU A 10 6.478 10.784 -11.470 1.00 0.00 O ATOM 0 H GLU A 10 4.600 9.731 -6.524 1.00 0.00 H new ATOM 0 HA GLU A 10 6.824 7.929 -7.183 1.00 0.00 H new ATOM 0 HB2 GLU A 10 6.385 10.871 -7.920 1.00 0.00 H new ATOM 0 HB3 GLU A 10 7.819 9.936 -8.297 1.00 0.00 H new ATOM 0 HG2 GLU A 10 6.772 8.750 -10.017 1.00 0.00 H new ATOM 0 HG3 GLU A 10 5.173 8.924 -9.321 1.00 0.00 H new ATOM 157 N LEU A 11 7.754 8.758 -4.934 1.00 0.00 N ATOM 158 CA LEU A 11 8.480 9.315 -3.835 1.00 0.00 C ATOM 159 C LEU A 11 9.880 8.806 -3.818 1.00 0.00 C ATOM 160 O LEU A 11 10.220 7.764 -4.375 1.00 0.00 O ATOM 161 CB LEU A 11 7.855 9.019 -2.462 1.00 0.00 C ATOM 162 CG LEU A 11 6.533 9.738 -2.144 1.00 0.00 C ATOM 163 CD1 LEU A 11 6.043 9.289 -0.757 1.00 0.00 C ATOM 164 CD2 LEU A 11 6.645 11.272 -2.147 1.00 0.00 C ATOM 0 H LEU A 11 7.818 7.743 -5.011 1.00 0.00 H new ATOM 0 HA LEU A 11 8.450 10.393 -3.994 1.00 0.00 H new ATOM 0 HB2 LEU A 11 7.686 7.945 -2.388 1.00 0.00 H new ATOM 0 HB3 LEU A 11 8.581 9.282 -1.692 1.00 0.00 H new ATOM 0 HG LEU A 11 5.833 9.467 -2.934 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.106 9.793 -0.521 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.885 8.211 -0.759 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.791 9.545 -0.007 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.673 11.708 -1.915 1.00 0.00 H new ATOM 0 HD22 LEU A 11 7.372 11.585 -1.398 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.969 11.611 -3.131 1.00 0.00 H new ATOM 176 N ALA A 12 10.762 9.553 -3.130 1.00 0.00 N ATOM 177 CA ALA A 12 12.022 9.069 -2.660 1.00 0.00 C ATOM 178 C ALA A 12 12.108 9.536 -1.248 1.00 0.00 C ATOM 179 O ALA A 12 11.320 10.378 -0.819 1.00 0.00 O ATOM 180 CB ALA A 12 13.198 9.601 -3.496 1.00 0.00 C ATOM 0 H ALA A 12 10.591 10.530 -2.893 1.00 0.00 H new ATOM 0 HA ALA A 12 12.086 7.984 -2.742 1.00 0.00 H new ATOM 0 HB1 ALA A 12 14.134 9.206 -3.101 1.00 0.00 H new ATOM 0 HB2 ALA A 12 13.080 9.285 -4.532 1.00 0.00 H new ATOM 0 HB3 ALA A 12 13.215 10.690 -3.448 1.00 0.00 H new ATOM 186 N LYS A 13 13.024 8.982 -0.433 1.00 0.00 N ATOM 187 CA LYS A 13 13.200 9.437 0.912 1.00 0.00 C ATOM 188 C LYS A 13 13.856 10.771 1.018 1.00 0.00 C ATOM 189 O LYS A 13 15.026 10.941 0.682 1.00 0.00 O ATOM 190 CB LYS A 13 13.931 8.410 1.792 1.00 0.00 C ATOM 191 CG LYS A 13 13.728 8.607 3.297 1.00 0.00 C ATOM 192 CD LYS A 13 14.490 7.566 4.119 1.00 0.00 C ATOM 193 CE LYS A 13 14.302 7.662 5.633 1.00 0.00 C ATOM 194 NZ LYS A 13 14.933 8.879 6.189 1.00 0.00 N ATOM 0 H LYS A 13 13.643 8.219 -0.705 1.00 0.00 H new ATOM 0 HA LYS A 13 12.185 9.553 1.292 1.00 0.00 H new ATOM 0 HB2 LYS A 13 13.592 7.410 1.520 1.00 0.00 H new ATOM 0 HB3 LYS A 13 14.998 8.456 1.573 1.00 0.00 H new ATOM 0 HG2 LYS A 13 14.060 9.606 3.580 1.00 0.00 H new ATOM 0 HG3 LYS A 13 12.665 8.546 3.531 1.00 0.00 H new ATOM 0 HD2 LYS A 13 14.180 6.573 3.794 1.00 0.00 H new ATOM 0 HD3 LYS A 13 15.553 7.658 3.895 1.00 0.00 H new ATOM 0 HE2 LYS A 13 13.238 7.665 5.868 1.00 0.00 H new ATOM 0 HE3 LYS A 13 14.731 6.780 6.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 15.057 8.768 7.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 15.861 9.024 5.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 14.326 9.702 6.001 1.00 0.00 H new ATOM 208 N ASN A 14 13.126 11.788 1.514 1.00 0.00 N ATOM 209 CA ASN A 14 13.669 13.016 2.007 1.00 0.00 C ATOM 210 C ASN A 14 13.665 12.947 3.495 1.00 0.00 C ATOM 211 O ASN A 14 14.709 12.800 4.129 1.00 0.00 O ATOM 212 CB ASN A 14 12.993 14.265 1.417 1.00 0.00 C ATOM 213 CG ASN A 14 11.474 14.243 1.317 1.00 0.00 C ATOM 214 OD1 ASN A 14 10.750 14.145 2.306 1.00 0.00 O ATOM 215 ND2 ASN A 14 10.936 14.405 0.078 1.00 0.00 N ATOM 0 H ASN A 14 12.108 11.751 1.574 1.00 0.00 H new ATOM 0 HA ASN A 14 14.698 13.132 1.668 1.00 0.00 H new ATOM 0 HB2 ASN A 14 13.281 15.125 2.022 1.00 0.00 H new ATOM 0 HB3 ASN A 14 13.397 14.429 0.418 1.00 0.00 H new ATOM 0 HD21 ASN A 14 9.923 14.446 -0.037 1.00 0.00 H new ATOM 0 HD22 ASN A 14 11.545 14.485 -0.736 1.00 0.00 H new ATOM 222 N ASP A 15 12.470 13.011 4.108 1.00 0.00 N ATOM 223 CA ASP A 15 12.209 12.739 5.488 1.00 0.00 C ATOM 224 C ASP A 15 11.944 11.289 5.700 1.00 0.00 C ATOM 225 O ASP A 15 12.776 10.546 6.219 1.00 0.00 O ATOM 226 CB ASP A 15 11.006 13.583 5.942 1.00 0.00 C ATOM 227 CG ASP A 15 11.524 14.933 6.417 1.00 0.00 C ATOM 228 OD1 ASP A 15 12.323 14.941 7.391 1.00 0.00 O ATOM 229 OD2 ASP A 15 11.183 15.994 5.828 1.00 0.00 O ATOM 0 H ASP A 15 11.624 13.272 3.601 1.00 0.00 H new ATOM 0 HA ASP A 15 13.084 13.003 6.081 1.00 0.00 H new ATOM 0 HB2 ASP A 15 10.302 13.714 5.120 1.00 0.00 H new ATOM 0 HB3 ASP A 15 10.469 13.078 6.745 1.00 0.00 H new ATOM 234 N ASN A 16 10.748 10.821 5.300 1.00 0.00 N ATOM 235 CA ASN A 16 10.208 9.553 5.681 1.00 0.00 C ATOM 236 C ASN A 16 9.631 8.973 4.435 1.00 0.00 C ATOM 237 O ASN A 16 9.166 9.710 3.567 1.00 0.00 O ATOM 238 CB ASN A 16 9.157 9.819 6.772 1.00 0.00 C ATOM 239 CG ASN A 16 8.541 8.569 7.383 1.00 0.00 C ATOM 240 OD1 ASN A 16 9.007 7.444 7.217 1.00 0.00 O ATOM 241 ND2 ASN A 16 7.442 8.775 8.159 1.00 0.00 N ATOM 0 H ASN A 16 10.131 11.350 4.684 1.00 0.00 H new ATOM 0 HA ASN A 16 10.933 8.851 6.092 1.00 0.00 H new ATOM 0 HB2 ASN A 16 9.619 10.405 7.567 1.00 0.00 H new ATOM 0 HB3 ASN A 16 8.360 10.430 6.348 1.00 0.00 H new ATOM 0 HD21 ASN A 16 6.987 7.986 8.618 1.00 0.00 H new ATOM 0 HD22 ASN A 16 7.074 9.718 8.282 1.00 0.00 H new ATOM 248 N SER A 17 9.619 7.640 4.260 1.00 0.00 N ATOM 249 CA SER A 17 9.491 7.064 2.957 1.00 0.00 C ATOM 250 C SER A 17 8.084 7.021 2.468 1.00 0.00 C ATOM 251 O SER A 17 7.768 7.650 1.459 1.00 0.00 O ATOM 252 CB SER A 17 10.057 5.638 2.866 1.00 0.00 C ATOM 253 OG SER A 17 11.418 5.608 3.270 1.00 0.00 O ATOM 0 H SER A 17 9.698 6.962 5.018 1.00 0.00 H new ATOM 0 HA SER A 17 10.077 7.732 2.326 1.00 0.00 H new ATOM 0 HB2 SER A 17 9.471 4.969 3.496 1.00 0.00 H new ATOM 0 HB3 SER A 17 9.969 5.272 1.843 1.00 0.00 H new ATOM 0 HG SER A 17 11.758 4.691 3.206 1.00 0.00 H new ATOM 259 N LEU A 18 7.177 6.287 3.136 1.00 0.00 N ATOM 260 CA LEU A 18 5.810 6.186 2.728 1.00 0.00 C ATOM 261 C LEU A 18 4.938 7.063 3.560 1.00 0.00 C ATOM 262 O LEU A 18 4.703 8.218 3.210 1.00 0.00 O ATOM 263 CB LEU A 18 5.345 4.722 2.679 1.00 0.00 C ATOM 264 CG LEU A 18 5.974 3.909 1.534 1.00 0.00 C ATOM 265 CD1 LEU A 18 7.232 3.130 1.956 1.00 0.00 C ATOM 266 CD2 LEU A 18 4.965 2.911 0.940 1.00 0.00 C ATOM 0 H LEU A 18 7.397 5.753 3.977 1.00 0.00 H new ATOM 0 HA LEU A 18 5.724 6.556 1.706 1.00 0.00 H new ATOM 0 HB2 LEU A 18 5.585 4.242 3.628 1.00 0.00 H new ATOM 0 HB3 LEU A 18 4.260 4.698 2.576 1.00 0.00 H new ATOM 0 HG LEU A 18 6.265 4.648 0.788 1.00 0.00 H new ATOM 0 HD11 LEU A 18 7.623 2.580 1.100 1.00 0.00 H new ATOM 0 HD12 LEU A 18 7.988 3.828 2.315 1.00 0.00 H new ATOM 0 HD13 LEU A 18 6.977 2.430 2.752 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.439 2.351 0.133 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.636 2.220 1.717 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.104 3.453 0.549 1.00 0.00 H new ATOM 278 N GLY A 19 4.460 6.589 4.724 1.00 0.00 N ATOM 279 CA GLY A 19 3.767 7.382 5.692 1.00 0.00 C ATOM 280 C GLY A 19 2.281 7.311 5.628 1.00 0.00 C ATOM 281 O GLY A 19 1.599 8.329 5.734 1.00 0.00 O ATOM 0 H GLY A 19 4.560 5.613 5.003 1.00 0.00 H new ATOM 0 HA2 GLY A 19 4.086 7.072 6.687 1.00 0.00 H new ATOM 0 HA3 GLY A 19 4.070 8.422 5.570 1.00 0.00 H new ATOM 285 N ILE A 20 1.699 6.104 5.505 1.00 0.00 N ATOM 286 CA ILE A 20 0.280 5.927 5.481 1.00 0.00 C ATOM 287 C ILE A 20 -0.083 4.790 6.373 1.00 0.00 C ATOM 288 O ILE A 20 0.786 4.080 6.876 1.00 0.00 O ATOM 289 CB ILE A 20 -0.241 5.853 4.076 1.00 0.00 C ATOM 290 CG1 ILE A 20 -1.326 6.918 3.849 1.00 0.00 C ATOM 291 CG2 ILE A 20 -0.704 4.463 3.609 1.00 0.00 C ATOM 292 CD1 ILE A 20 -1.698 7.098 2.378 1.00 0.00 C ATOM 0 H ILE A 20 2.225 5.234 5.421 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.229 6.801 5.888 1.00 0.00 H new ATOM 0 HB ILE A 20 0.620 6.064 3.442 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -2.218 6.643 4.411 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -0.979 7.871 4.248 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -1.061 4.525 2.581 1.00 0.00 H new ATOM 0 HG22 ILE A 20 0.131 3.764 3.662 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -1.511 4.113 4.253 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -2.468 7.864 2.289 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -0.816 7.403 1.814 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -2.075 6.156 1.980 1.00 0.00 H new ATOM 304 N SER A 21 -1.379 4.539 6.628 1.00 0.00 N ATOM 305 CA SER A 21 -1.812 3.415 7.400 1.00 0.00 C ATOM 306 C SER A 21 -2.720 2.585 6.560 1.00 0.00 C ATOM 307 O SER A 21 -3.453 3.074 5.702 1.00 0.00 O ATOM 308 CB SER A 21 -2.461 3.795 8.742 1.00 0.00 C ATOM 309 OG SER A 21 -3.641 4.573 8.613 1.00 0.00 O ATOM 0 H SER A 21 -2.141 5.128 6.292 1.00 0.00 H new ATOM 0 HA SER A 21 -0.930 2.839 7.680 1.00 0.00 H new ATOM 0 HB2 SER A 21 -2.697 2.883 9.291 1.00 0.00 H new ATOM 0 HB3 SER A 21 -1.737 4.348 9.340 1.00 0.00 H new ATOM 0 HG SER A 21 -3.501 5.270 7.938 1.00 0.00 H new ATOM 315 N VAL A 22 -2.651 1.256 6.751 1.00 0.00 N ATOM 316 CA VAL A 22 -3.192 0.257 5.881 1.00 0.00 C ATOM 317 C VAL A 22 -4.132 -0.586 6.673 1.00 0.00 C ATOM 318 O VAL A 22 -4.026 -0.677 7.895 1.00 0.00 O ATOM 319 CB VAL A 22 -2.062 -0.534 5.291 1.00 0.00 C ATOM 320 CG1 VAL A 22 -2.433 -1.933 4.773 1.00 0.00 C ATOM 321 CG2 VAL A 22 -1.476 0.287 4.130 1.00 0.00 C ATOM 0 H VAL A 22 -2.188 0.853 7.565 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.748 0.695 5.052 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.352 -0.709 6.099 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.545 -2.418 4.368 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.831 -2.531 5.593 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.186 -1.843 3.990 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -0.650 -0.261 3.678 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.249 0.462 3.381 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -1.114 1.243 4.507 1.00 0.00 H new ATOM 331 N THR A 23 -5.118 -1.209 6.002 1.00 0.00 N ATOM 332 CA THR A 23 -5.949 -2.219 6.580 1.00 0.00 C ATOM 333 C THR A 23 -6.143 -3.290 5.564 1.00 0.00 C ATOM 334 O THR A 23 -5.933 -3.083 4.370 1.00 0.00 O ATOM 335 CB THR A 23 -7.258 -1.682 7.082 1.00 0.00 C ATOM 336 OG1 THR A 23 -7.936 -2.629 7.894 1.00 0.00 O ATOM 337 CG2 THR A 23 -8.193 -1.242 5.942 1.00 0.00 C ATOM 0 H THR A 23 -5.343 -1.004 5.029 1.00 0.00 H new ATOM 0 HA THR A 23 -5.455 -2.624 7.463 1.00 0.00 H new ATOM 0 HB THR A 23 -7.005 -0.806 7.679 1.00 0.00 H new ATOM 0 HG1 THR A 23 -8.783 -2.246 8.205 1.00 0.00 H new ATOM 0 HG21 THR A 23 -9.125 -0.862 6.362 1.00 0.00 H new ATOM 0 HG22 THR A 23 -7.711 -0.457 5.359 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.406 -2.094 5.297 1.00 0.00 H new ATOM 345 N GLY A 24 -6.557 -4.498 5.988 1.00 0.00 N ATOM 346 CA GLY A 24 -6.826 -5.604 5.123 1.00 0.00 C ATOM 347 C GLY A 24 -5.609 -6.257 4.565 1.00 0.00 C ATOM 348 O GLY A 24 -4.669 -6.592 5.283 1.00 0.00 O ATOM 0 H GLY A 24 -6.710 -4.712 6.973 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -7.403 -6.348 5.672 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -7.451 -5.261 4.298 1.00 0.00 H new ATOM 352 N GLY A 25 -5.587 -6.507 3.243 1.00 0.00 N ATOM 353 CA GLY A 25 -4.429 -6.988 2.557 1.00 0.00 C ATOM 354 C GLY A 25 -4.227 -8.464 2.577 1.00 0.00 C ATOM 355 O GLY A 25 -3.245 -8.974 2.039 1.00 0.00 O ATOM 0 H GLY A 25 -6.395 -6.371 2.636 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.484 -6.662 1.518 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -3.549 -6.514 2.993 1.00 0.00 H new ATOM 359 N VAL A 26 -5.149 -9.206 3.216 1.00 0.00 N ATOM 360 CA VAL A 26 -5.101 -10.612 3.470 1.00 0.00 C ATOM 361 C VAL A 26 -5.356 -11.387 2.222 1.00 0.00 C ATOM 362 O VAL A 26 -5.778 -10.865 1.192 1.00 0.00 O ATOM 363 CB VAL A 26 -6.033 -10.918 4.604 1.00 0.00 C ATOM 364 CG1 VAL A 26 -6.137 -12.395 5.021 1.00 0.00 C ATOM 365 CG2 VAL A 26 -5.521 -10.153 5.837 1.00 0.00 C ATOM 0 H VAL A 26 -6.001 -8.784 3.586 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.105 -10.925 3.782 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.023 -10.629 4.251 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.840 -12.491 5.849 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.488 -12.988 4.176 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.157 -12.755 5.334 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -6.176 -10.351 6.686 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.509 -10.481 6.075 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.515 -9.084 5.625 1.00 0.00 H new ATOM 375 N ASN A 27 -5.076 -12.702 2.254 1.00 0.00 N ATOM 376 CA ASN A 27 -4.935 -13.567 1.124 1.00 0.00 C ATOM 377 C ASN A 27 -6.193 -13.858 0.380 1.00 0.00 C ATOM 378 O ASN A 27 -6.170 -14.275 -0.777 1.00 0.00 O ATOM 379 CB ASN A 27 -4.217 -14.856 1.562 1.00 0.00 C ATOM 380 CG ASN A 27 -4.859 -15.499 2.783 1.00 0.00 C ATOM 381 OD1 ASN A 27 -5.891 -16.162 2.678 1.00 0.00 O ATOM 382 ND2 ASN A 27 -4.263 -15.294 3.987 1.00 0.00 N ATOM 0 H ASN A 27 -4.938 -13.196 3.136 1.00 0.00 H new ATOM 0 HA ASN A 27 -4.332 -13.025 0.395 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -4.221 -15.568 0.737 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -3.174 -14.629 1.782 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -4.670 -15.694 4.832 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -3.408 -14.740 4.045 1.00 0.00 H new ATOM 389 N THR A 28 -7.374 -13.578 0.960 1.00 0.00 N ATOM 390 CA THR A 28 -8.504 -13.192 0.174 1.00 0.00 C ATOM 391 C THR A 28 -9.133 -12.026 0.855 1.00 0.00 C ATOM 392 O THR A 28 -9.527 -12.072 2.019 1.00 0.00 O ATOM 393 CB THR A 28 -9.463 -14.286 -0.190 1.00 0.00 C ATOM 394 OG1 THR A 28 -10.428 -13.857 -1.139 1.00 0.00 O ATOM 395 CG2 THR A 28 -10.206 -14.872 1.022 1.00 0.00 C ATOM 0 H THR A 28 -7.546 -13.618 1.965 1.00 0.00 H new ATOM 0 HA THR A 28 -8.152 -12.911 -0.818 1.00 0.00 H new ATOM 0 HB THR A 28 -8.836 -15.065 -0.624 1.00 0.00 H new ATOM 0 HG1 THR A 28 -11.032 -14.599 -1.350 1.00 0.00 H new ATOM 0 HG21 THR A 28 -10.883 -15.658 0.688 1.00 0.00 H new ATOM 0 HG22 THR A 28 -9.484 -15.289 1.724 1.00 0.00 H new ATOM 0 HG23 THR A 28 -10.778 -14.085 1.514 1.00 0.00 H new ATOM 403 N SER A 29 -9.163 -10.874 0.161 1.00 0.00 N ATOM 404 CA SER A 29 -9.611 -9.643 0.737 1.00 0.00 C ATOM 405 C SER A 29 -10.281 -8.820 -0.310 1.00 0.00 C ATOM 406 O SER A 29 -11.505 -8.823 -0.431 1.00 0.00 O ATOM 407 CB SER A 29 -8.494 -8.855 1.440 1.00 0.00 C ATOM 408 OG SER A 29 -7.334 -8.684 0.639 1.00 0.00 O ATOM 0 H SER A 29 -8.872 -10.795 -0.814 1.00 0.00 H new ATOM 0 HA SER A 29 -10.326 -9.891 1.521 1.00 0.00 H new ATOM 0 HB2 SER A 29 -8.876 -7.875 1.727 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.219 -9.371 2.360 1.00 0.00 H new ATOM 0 HG SER A 29 -6.721 -9.435 0.786 1.00 0.00 H new ATOM 414 N VAL A 30 -9.484 -8.080 -1.101 1.00 0.00 N ATOM 415 CA VAL A 30 -9.889 -7.297 -2.226 1.00 0.00 C ATOM 416 C VAL A 30 -9.851 -8.121 -3.469 1.00 0.00 C ATOM 417 O VAL A 30 -10.837 -8.242 -4.192 1.00 0.00 O ATOM 418 CB VAL A 30 -9.098 -6.023 -2.262 1.00 0.00 C ATOM 419 CG1 VAL A 30 -7.573 -6.218 -2.301 1.00 0.00 C ATOM 420 CG2 VAL A 30 -9.552 -5.112 -3.415 1.00 0.00 C ATOM 0 H VAL A 30 -8.478 -8.026 -0.940 1.00 0.00 H new ATOM 0 HA VAL A 30 -10.930 -6.985 -2.139 1.00 0.00 H new ATOM 0 HB VAL A 30 -9.312 -5.537 -1.310 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -7.082 -5.245 -2.325 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -7.253 -6.764 -1.413 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -7.301 -6.784 -3.192 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -8.958 -4.198 -3.412 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -9.415 -5.630 -4.364 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -10.605 -4.861 -3.287 1.00 0.00 H new ATOM 430 N ARG A 31 -8.718 -8.799 -3.727 1.00 0.00 N ATOM 431 CA ARG A 31 -8.587 -9.909 -4.620 1.00 0.00 C ATOM 432 C ARG A 31 -7.868 -10.940 -3.821 1.00 0.00 C ATOM 433 O ARG A 31 -7.853 -10.875 -2.592 1.00 0.00 O ATOM 434 CB ARG A 31 -7.790 -9.493 -5.869 1.00 0.00 C ATOM 435 CG ARG A 31 -8.511 -8.541 -6.825 1.00 0.00 C ATOM 436 CD ARG A 31 -9.734 -9.130 -7.530 1.00 0.00 C ATOM 437 NE ARG A 31 -10.950 -8.451 -7.000 1.00 0.00 N ATOM 438 CZ ARG A 31 -11.817 -7.706 -7.745 1.00 0.00 C ATOM 439 NH1 ARG A 31 -11.558 -7.328 -9.031 1.00 0.00 N ATOM 440 NH2 ARG A 31 -12.983 -7.286 -7.174 1.00 0.00 N ATOM 0 H ARG A 31 -7.834 -8.554 -3.281 1.00 0.00 H new ATOM 0 HA ARG A 31 -9.543 -10.281 -4.987 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -6.862 -9.021 -5.546 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -7.515 -10.393 -6.419 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -8.823 -7.658 -6.267 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -7.802 -8.205 -7.582 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -9.657 -8.986 -8.608 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -9.792 -10.204 -7.356 1.00 0.00 H new ATOM 0 HE ARG A 31 -11.149 -8.551 -6.005 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -10.683 -7.603 -9.477 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -12.240 -6.771 -9.546 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -13.194 -7.530 -6.206 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -13.644 -6.728 -7.715 1.00 0.00 H new ATOM 454 N HIS A 32 -7.192 -11.924 -4.438 1.00 0.00 N ATOM 455 CA HIS A 32 -6.244 -12.757 -3.764 1.00 0.00 C ATOM 456 C HIS A 32 -4.927 -12.090 -3.564 1.00 0.00 C ATOM 457 O HIS A 32 -3.868 -12.573 -3.963 1.00 0.00 O ATOM 458 CB HIS A 32 -6.098 -14.159 -4.380 1.00 0.00 C ATOM 459 CG HIS A 32 -5.446 -14.301 -5.723 1.00 0.00 C ATOM 460 ND1 HIS A 32 -5.169 -15.576 -6.174 1.00 0.00 N ATOM 461 CD2 HIS A 32 -5.053 -13.380 -6.642 1.00 0.00 C ATOM 462 CE1 HIS A 32 -4.588 -15.414 -7.348 1.00 0.00 C ATOM 463 NE2 HIS A 32 -4.496 -14.098 -7.680 1.00 0.00 N ATOM 0 H HIS A 32 -7.306 -12.147 -5.427 1.00 0.00 H new ATOM 0 HA HIS A 32 -6.669 -12.916 -2.773 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -5.535 -14.771 -3.675 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -7.096 -14.592 -4.452 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -5.156 -12.307 -6.574 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -4.231 -16.224 -7.967 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -4.092 -13.715 -8.534 1.00 0.00 H new ATOM 471 N GLY A 33 -4.949 -10.922 -2.897 1.00 0.00 N ATOM 472 CA GLY A 33 -3.847 -10.029 -2.712 1.00 0.00 C ATOM 473 C GLY A 33 -4.232 -8.642 -3.095 1.00 0.00 C ATOM 474 O GLY A 33 -5.272 -8.423 -3.713 1.00 0.00 O ATOM 0 H GLY A 33 -5.801 -10.577 -2.455 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.525 -10.049 -1.671 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.000 -10.357 -3.314 1.00 0.00 H new ATOM 478 N GLY A 34 -3.387 -7.649 -2.761 1.00 0.00 N ATOM 479 CA GLY A 34 -3.636 -6.256 -2.961 1.00 0.00 C ATOM 480 C GLY A 34 -4.048 -5.597 -1.689 1.00 0.00 C ATOM 481 O GLY A 34 -4.587 -6.237 -0.787 1.00 0.00 O ATOM 0 H GLY A 34 -2.481 -7.830 -2.328 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.738 -5.775 -3.349 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.417 -6.127 -3.711 1.00 0.00 H new ATOM 485 N ILE A 35 -3.776 -4.288 -1.545 1.00 0.00 N ATOM 486 CA ILE A 35 -3.755 -3.635 -0.273 1.00 0.00 C ATOM 487 C ILE A 35 -4.653 -2.447 -0.309 1.00 0.00 C ATOM 488 O ILE A 35 -4.872 -1.841 -1.357 1.00 0.00 O ATOM 489 CB ILE A 35 -2.350 -3.244 0.074 1.00 0.00 C ATOM 490 CG1 ILE A 35 -1.349 -4.411 0.053 1.00 0.00 C ATOM 491 CG2 ILE A 35 -2.254 -2.518 1.426 1.00 0.00 C ATOM 492 CD1 ILE A 35 -1.637 -5.543 1.037 1.00 0.00 C ATOM 0 H ILE A 35 -3.566 -3.670 -2.329 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.116 -4.315 0.498 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.069 -2.556 -0.723 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.323 -4.827 -0.954 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.354 -4.017 0.261 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.215 -2.258 1.627 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.855 -1.609 1.395 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.624 -3.171 2.217 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -0.872 -6.313 0.940 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.630 -5.151 2.054 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.615 -5.973 0.820 1.00 0.00 H new ATOM 504 N TYR A 36 -5.267 -2.080 0.829 1.00 0.00 N ATOM 505 CA TYR A 36 -6.269 -1.064 0.924 1.00 0.00 C ATOM 506 C TYR A 36 -5.867 -0.058 1.948 1.00 0.00 C ATOM 507 O TYR A 36 -5.360 -0.396 3.016 1.00 0.00 O ATOM 508 CB TYR A 36 -7.597 -1.744 1.299 1.00 0.00 C ATOM 509 CG TYR A 36 -8.719 -1.386 0.385 1.00 0.00 C ATOM 510 CD1 TYR A 36 -9.275 -0.129 0.419 1.00 0.00 C ATOM 511 CD2 TYR A 36 -9.265 -2.343 -0.438 1.00 0.00 C ATOM 512 CE1 TYR A 36 -10.376 0.164 -0.350 1.00 0.00 C ATOM 513 CE2 TYR A 36 -10.365 -2.057 -1.211 1.00 0.00 C ATOM 514 CZ TYR A 36 -10.925 -0.802 -1.159 1.00 0.00 C ATOM 515 OH TYR A 36 -12.086 -0.535 -1.916 1.00 0.00 O ATOM 0 H TYR A 36 -5.054 -2.513 1.728 1.00 0.00 H new ATOM 0 HA TYR A 36 -6.386 -0.540 -0.024 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -7.460 -2.825 1.289 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -7.865 -1.466 2.318 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -8.845 0.632 1.053 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -8.825 -3.329 -0.477 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -10.809 1.153 -0.319 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -10.787 -2.814 -1.856 1.00 0.00 H new ATOM 0 HH TYR A 36 -12.332 -1.332 -2.430 1.00 0.00 H new ATOM 525 N VAL A 37 -6.047 1.243 1.661 1.00 0.00 N ATOM 526 CA VAL A 37 -5.592 2.299 2.512 1.00 0.00 C ATOM 527 C VAL A 37 -6.583 2.629 3.575 1.00 0.00 C ATOM 528 O VAL A 37 -7.775 2.805 3.328 1.00 0.00 O ATOM 529 CB VAL A 37 -5.237 3.532 1.737 1.00 0.00 C ATOM 530 CG1 VAL A 37 -4.680 4.638 2.648 1.00 0.00 C ATOM 531 CG2 VAL A 37 -4.160 3.182 0.697 1.00 0.00 C ATOM 0 H VAL A 37 -6.520 1.569 0.818 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.688 1.928 2.995 1.00 0.00 H new ATOM 0 HB VAL A 37 -6.147 3.896 1.260 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -4.435 5.514 2.048 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.428 4.906 3.394 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.781 4.278 3.149 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.898 4.075 0.130 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.274 2.801 1.205 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.544 2.421 0.018 1.00 0.00 H new ATOM 541 N LYS A 38 -6.119 2.753 4.832 1.00 0.00 N ATOM 542 CA LYS A 38 -6.931 3.073 5.965 1.00 0.00 C ATOM 543 C LYS A 38 -7.047 4.547 6.135 1.00 0.00 C ATOM 544 O LYS A 38 -8.106 5.129 5.900 1.00 0.00 O ATOM 545 CB LYS A 38 -6.361 2.399 7.225 1.00 0.00 C ATOM 546 CG LYS A 38 -7.227 2.514 8.482 1.00 0.00 C ATOM 547 CD LYS A 38 -6.583 1.804 9.675 1.00 0.00 C ATOM 548 CE LYS A 38 -7.355 1.909 10.991 1.00 0.00 C ATOM 549 NZ LYS A 38 -8.664 1.224 10.896 1.00 0.00 N ATOM 0 H LYS A 38 -5.135 2.625 5.068 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.938 2.689 5.800 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.201 1.342 7.010 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.384 2.832 7.437 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.381 3.566 8.723 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -8.210 2.084 8.289 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -6.461 0.750 9.427 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.584 2.214 9.825 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -6.768 1.468 11.797 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -7.507 2.958 11.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -9.160 1.296 11.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -9.237 1.673 10.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -8.515 0.222 10.661 1.00 0.00 H new ATOM 563 N ALA A 39 -5.954 5.224 6.533 1.00 0.00 N ATOM 564 CA ALA A 39 -5.956 6.637 6.752 1.00 0.00 C ATOM 565 C ALA A 39 -4.585 7.204 6.611 1.00 0.00 C ATOM 566 O ALA A 39 -3.578 6.499 6.649 1.00 0.00 O ATOM 567 CB ALA A 39 -6.487 6.961 8.158 1.00 0.00 C ATOM 0 H ALA A 39 -5.052 4.781 6.706 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.606 7.085 6.000 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.482 8.040 8.309 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.505 6.585 8.258 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -5.851 6.487 8.905 1.00 0.00 H new ATOM 573 N VAL A 40 -4.495 8.535 6.448 1.00 0.00 N ATOM 574 CA VAL A 40 -3.275 9.255 6.247 1.00 0.00 C ATOM 575 C VAL A 40 -2.654 9.654 7.539 1.00 0.00 C ATOM 576 O VAL A 40 -3.304 10.174 8.446 1.00 0.00 O ATOM 577 CB VAL A 40 -3.485 10.402 5.304 1.00 0.00 C ATOM 578 CG1 VAL A 40 -4.390 11.501 5.886 1.00 0.00 C ATOM 579 CG2 VAL A 40 -2.145 10.984 4.824 1.00 0.00 C ATOM 0 H VAL A 40 -5.315 9.141 6.457 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.554 8.591 5.771 1.00 0.00 H new ATOM 0 HB VAL A 40 -4.011 9.994 4.440 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -4.504 12.303 5.157 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -5.369 11.081 6.119 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -3.940 11.899 6.796 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.332 11.813 4.142 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.575 11.341 5.682 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.577 10.211 4.307 1.00 0.00 H new ATOM 589 N ILE A 41 -1.351 9.370 7.717 1.00 0.00 N ATOM 590 CA ILE A 41 -0.604 9.738 8.879 1.00 0.00 C ATOM 591 C ILE A 41 -0.111 11.135 8.724 1.00 0.00 C ATOM 592 O ILE A 41 0.642 11.363 7.779 1.00 0.00 O ATOM 593 CB ILE A 41 0.522 8.781 9.134 1.00 0.00 C ATOM 594 CG1 ILE A 41 0.029 7.336 9.313 1.00 0.00 C ATOM 595 CG2 ILE A 41 1.347 9.213 10.359 1.00 0.00 C ATOM 596 CD1 ILE A 41 -0.861 7.091 10.531 1.00 0.00 C ATOM 0 H ILE A 41 -0.797 8.865 7.025 1.00 0.00 H new ATOM 0 HA ILE A 41 -1.257 9.689 9.751 1.00 0.00 H new ATOM 0 HB ILE A 41 1.159 8.806 8.250 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.521 7.045 8.418 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.897 6.680 9.381 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.157 8.502 10.521 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.764 10.205 10.185 1.00 0.00 H new ATOM 0 HG23 ILE A 41 0.705 9.239 11.239 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.153 6.041 10.563 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.313 7.343 11.439 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.753 7.713 10.461 1.00 0.00 H new ATOM 608 N PRO A 42 -0.423 12.122 9.511 1.00 0.00 N ATOM 609 CA PRO A 42 -0.034 13.479 9.259 1.00 0.00 C ATOM 610 C PRO A 42 1.338 13.794 9.750 1.00 0.00 C ATOM 611 O PRO A 42 1.554 14.822 10.390 1.00 0.00 O ATOM 612 CB PRO A 42 -1.100 14.285 9.996 1.00 0.00 C ATOM 613 CG PRO A 42 -1.402 13.428 11.237 1.00 0.00 C ATOM 614 CD PRO A 42 -1.307 12.006 10.660 1.00 0.00 C ATOM 0 HA PRO A 42 0.019 13.702 8.193 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -0.736 15.275 10.271 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -1.989 14.431 9.382 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -0.680 13.595 12.036 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.389 13.638 11.650 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -0.908 11.308 11.396 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -2.288 11.633 10.366 1.00 0.00 H new ATOM 622 N GLN A 43 2.323 12.916 9.491 1.00 0.00 N ATOM 623 CA GLN A 43 3.639 13.000 10.044 1.00 0.00 C ATOM 624 C GLN A 43 4.631 12.568 9.018 1.00 0.00 C ATOM 625 O GLN A 43 5.636 11.929 9.326 1.00 0.00 O ATOM 626 CB GLN A 43 3.784 12.071 11.261 1.00 0.00 C ATOM 627 CG GLN A 43 2.732 12.256 12.356 1.00 0.00 C ATOM 628 CD GLN A 43 2.816 11.111 13.355 1.00 0.00 C ATOM 629 OE1 GLN A 43 3.838 10.441 13.489 1.00 0.00 O ATOM 630 NE2 GLN A 43 1.683 10.838 14.058 1.00 0.00 N ATOM 0 H GLN A 43 2.198 12.115 8.871 1.00 0.00 H new ATOM 0 HA GLN A 43 3.813 14.031 10.351 1.00 0.00 H new ATOM 0 HB2 GLN A 43 3.746 11.038 10.915 1.00 0.00 H new ATOM 0 HB3 GLN A 43 4.770 12.225 11.699 1.00 0.00 H new ATOM 0 HG2 GLN A 43 2.888 13.207 12.866 1.00 0.00 H new ATOM 0 HG3 GLN A 43 1.736 12.292 11.914 1.00 0.00 H new ATOM 0 HE21 GLN A 43 0.850 11.412 13.926 1.00 0.00 H new ATOM 0 HE22 GLN A 43 1.667 10.060 14.717 1.00 0.00 H new ATOM 639 N GLY A 44 4.386 12.852 7.727 1.00 0.00 N ATOM 640 CA GLY A 44 5.221 12.304 6.703 1.00 0.00 C ATOM 641 C GLY A 44 4.899 12.825 5.345 1.00 0.00 C ATOM 642 O GLY A 44 4.067 13.710 5.153 1.00 0.00 O ATOM 0 H GLY A 44 3.627 13.448 7.396 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.263 12.527 6.934 1.00 0.00 H new ATOM 0 HA3 GLY A 44 5.120 11.219 6.703 1.00 0.00 H new ATOM 646 N ALA A 45 5.553 12.225 4.334 1.00 0.00 N ATOM 647 CA ALA A 45 5.467 12.579 2.951 1.00 0.00 C ATOM 648 C ALA A 45 4.105 12.446 2.360 1.00 0.00 C ATOM 649 O ALA A 45 3.718 13.281 1.544 1.00 0.00 O ATOM 650 CB ALA A 45 6.478 11.759 2.132 1.00 0.00 C ATOM 0 H ALA A 45 6.184 11.440 4.495 1.00 0.00 H new ATOM 0 HA ALA A 45 5.707 13.641 2.905 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.404 12.036 1.080 1.00 0.00 H new ATOM 0 HB2 ALA A 45 7.487 11.962 2.491 1.00 0.00 H new ATOM 0 HB3 ALA A 45 6.260 10.697 2.243 1.00 0.00 H new ATOM 656 N ALA A 46 3.303 11.442 2.759 1.00 0.00 N ATOM 657 CA ALA A 46 1.958 11.250 2.314 1.00 0.00 C ATOM 658 C ALA A 46 1.060 12.427 2.485 1.00 0.00 C ATOM 659 O ALA A 46 0.389 12.860 1.549 1.00 0.00 O ATOM 660 CB ALA A 46 1.342 10.059 3.066 1.00 0.00 C ATOM 0 H ALA A 46 3.608 10.731 3.424 1.00 0.00 H new ATOM 0 HA ALA A 46 2.031 11.075 1.241 1.00 0.00 H new ATOM 0 HB1 ALA A 46 0.316 9.908 2.730 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.925 9.161 2.865 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.347 10.263 4.137 1.00 0.00 H new ATOM 666 N GLU A 47 1.062 13.012 3.696 1.00 0.00 N ATOM 667 CA GLU A 47 0.384 14.218 4.056 1.00 0.00 C ATOM 668 C GLU A 47 0.942 15.406 3.351 1.00 0.00 C ATOM 669 O GLU A 47 0.214 16.150 2.695 1.00 0.00 O ATOM 670 CB GLU A 47 0.458 14.375 5.584 1.00 0.00 C ATOM 671 CG GLU A 47 0.252 15.760 6.203 1.00 0.00 C ATOM 672 CD GLU A 47 -1.061 16.455 5.872 1.00 0.00 C ATOM 673 OE1 GLU A 47 -2.165 15.893 6.099 1.00 0.00 O ATOM 674 OE2 GLU A 47 -0.990 17.620 5.398 1.00 0.00 O ATOM 0 H GLU A 47 1.576 12.611 4.481 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.658 14.153 3.744 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.286 13.707 6.019 1.00 0.00 H new ATOM 0 HB3 GLU A 47 1.436 14.015 5.904 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.326 15.666 7.286 1.00 0.00 H new ATOM 0 HG3 GLU A 47 1.071 16.404 5.882 1.00 0.00 H new ATOM 681 N SER A 48 2.266 15.626 3.442 1.00 0.00 N ATOM 682 CA SER A 48 2.924 16.789 2.935 1.00 0.00 C ATOM 683 C SER A 48 2.905 16.924 1.451 1.00 0.00 C ATOM 684 O SER A 48 2.898 18.038 0.929 1.00 0.00 O ATOM 685 CB SER A 48 4.367 16.907 3.455 1.00 0.00 C ATOM 686 OG SER A 48 4.363 16.860 4.874 1.00 0.00 O ATOM 0 H SER A 48 2.904 14.966 3.887 1.00 0.00 H new ATOM 0 HA SER A 48 2.329 17.616 3.323 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.977 16.097 3.055 1.00 0.00 H new ATOM 0 HB3 SER A 48 4.813 17.841 3.112 1.00 0.00 H new ATOM 0 HG SER A 48 4.258 15.932 5.170 1.00 0.00 H new ATOM 692 N ASP A 49 2.864 15.803 0.710 1.00 0.00 N ATOM 693 CA ASP A 49 2.641 15.738 -0.701 1.00 0.00 C ATOM 694 C ASP A 49 1.195 15.844 -1.042 1.00 0.00 C ATOM 695 O ASP A 49 0.791 16.691 -1.839 1.00 0.00 O ATOM 696 CB ASP A 49 3.269 14.432 -1.217 1.00 0.00 C ATOM 697 CG ASP A 49 3.351 14.318 -2.732 1.00 0.00 C ATOM 698 OD1 ASP A 49 3.903 15.240 -3.389 1.00 0.00 O ATOM 699 OD2 ASP A 49 2.921 13.264 -3.272 1.00 0.00 O ATOM 0 H ASP A 49 2.996 14.881 1.125 1.00 0.00 H new ATOM 0 HA ASP A 49 3.113 16.589 -1.192 1.00 0.00 H new ATOM 0 HB2 ASP A 49 4.274 14.341 -0.805 1.00 0.00 H new ATOM 0 HB3 ASP A 49 2.690 13.591 -0.834 1.00 0.00 H new ATOM 704 N GLY A 50 0.333 14.995 -0.457 1.00 0.00 N ATOM 705 CA GLY A 50 -1.087 15.087 -0.599 1.00 0.00 C ATOM 706 C GLY A 50 -1.613 14.503 -1.866 1.00 0.00 C ATOM 707 O GLY A 50 -2.134 15.206 -2.730 1.00 0.00 O ATOM 0 H GLY A 50 0.633 14.220 0.134 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -1.559 14.582 0.244 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -1.379 16.136 -0.547 1.00 0.00 H new ATOM 711 N ARG A 51 -1.492 13.175 -2.034 1.00 0.00 N ATOM 712 CA ARG A 51 -1.685 12.538 -3.300 1.00 0.00 C ATOM 713 C ARG A 51 -2.451 11.264 -3.206 1.00 0.00 C ATOM 714 O ARG A 51 -2.950 10.758 -4.210 1.00 0.00 O ATOM 715 CB ARG A 51 -0.289 12.330 -3.911 1.00 0.00 C ATOM 716 CG ARG A 51 -0.212 12.097 -5.422 1.00 0.00 C ATOM 717 CD ARG A 51 1.231 12.180 -5.923 1.00 0.00 C ATOM 718 NE ARG A 51 1.273 11.717 -7.339 1.00 0.00 N ATOM 719 CZ ARG A 51 2.386 11.760 -8.128 1.00 0.00 C ATOM 720 NH1 ARG A 51 3.621 12.138 -7.687 1.00 0.00 N ATOM 721 NH2 ARG A 51 2.324 11.324 -9.420 1.00 0.00 N ATOM 0 H ARG A 51 -1.256 12.532 -1.278 1.00 0.00 H new ATOM 0 HA ARG A 51 -2.299 13.171 -3.940 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.317 13.204 -3.673 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.173 11.477 -3.414 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -0.627 11.119 -5.663 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -0.822 12.838 -5.938 1.00 0.00 H new ATOM 0 HD2 ARG A 51 1.598 13.204 -5.849 1.00 0.00 H new ATOM 0 HD3 ARG A 51 1.882 11.562 -5.304 1.00 0.00 H new ATOM 0 HE ARG A 51 0.415 11.344 -7.745 1.00 0.00 H new ATOM 0 HH11 ARG A 51 3.753 12.411 -6.713 1.00 0.00 H new ATOM 0 HH12 ARG A 51 4.412 12.148 -8.331 1.00 0.00 H new ATOM 0 HH21 ARG A 51 1.446 10.966 -9.796 1.00 0.00 H new ATOM 0 HH22 ARG A 51 3.156 11.356 -10.010 1.00 0.00 H new ATOM 735 N ILE A 52 -2.631 10.701 -1.997 1.00 0.00 N ATOM 736 CA ILE A 52 -3.347 9.489 -1.744 1.00 0.00 C ATOM 737 C ILE A 52 -4.288 9.832 -0.641 1.00 0.00 C ATOM 738 O ILE A 52 -3.918 10.592 0.252 1.00 0.00 O ATOM 739 CB ILE A 52 -2.471 8.353 -1.308 1.00 0.00 C ATOM 740 CG1 ILE A 52 -1.229 8.174 -2.198 1.00 0.00 C ATOM 741 CG2 ILE A 52 -3.273 7.041 -1.292 1.00 0.00 C ATOM 742 CD1 ILE A 52 0.018 8.867 -1.651 1.00 0.00 C ATOM 0 H ILE A 52 -2.254 11.118 -1.146 1.00 0.00 H new ATOM 0 HA ILE A 52 -3.832 9.147 -2.658 1.00 0.00 H new ATOM 0 HB ILE A 52 -2.123 8.600 -0.305 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.023 7.110 -2.311 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -1.445 8.564 -3.192 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.626 6.223 -0.974 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.109 7.134 -0.598 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -3.653 6.835 -2.293 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.855 8.699 -2.329 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.169 9.937 -1.564 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.259 8.460 -0.669 1.00 0.00 H new ATOM 754 N HIS A 53 -5.513 9.278 -0.605 1.00 0.00 N ATOM 755 CA HIS A 53 -6.415 9.487 0.484 1.00 0.00 C ATOM 756 C HIS A 53 -6.801 8.200 1.127 1.00 0.00 C ATOM 757 O HIS A 53 -6.331 7.115 0.789 1.00 0.00 O ATOM 758 CB HIS A 53 -7.638 10.347 0.120 1.00 0.00 C ATOM 759 CG HIS A 53 -8.651 9.742 -0.805 1.00 0.00 C ATOM 760 ND1 HIS A 53 -9.595 10.569 -1.380 1.00 0.00 N ATOM 761 CD2 HIS A 53 -8.836 8.464 -1.231 1.00 0.00 C ATOM 762 CE1 HIS A 53 -10.320 9.796 -2.167 1.00 0.00 C ATOM 763 NE2 HIS A 53 -9.895 8.505 -2.115 1.00 0.00 N ATOM 0 H HIS A 53 -5.882 8.677 -1.342 1.00 0.00 H new ATOM 0 HA HIS A 53 -5.866 10.073 1.220 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -8.146 10.620 1.045 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -7.278 11.272 -0.331 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -8.269 7.593 -0.937 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -11.143 10.143 -2.773 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -10.285 7.717 -2.631 1.00 0.00 H new ATOM 771 N LYS A 54 -7.688 8.268 2.136 1.00 0.00 N ATOM 772 CA LYS A 54 -8.352 7.145 2.722 1.00 0.00 C ATOM 773 C LYS A 54 -9.162 6.334 1.770 1.00 0.00 C ATOM 774 O LYS A 54 -9.918 6.864 0.957 1.00 0.00 O ATOM 775 CB LYS A 54 -9.218 7.635 3.895 1.00 0.00 C ATOM 776 CG LYS A 54 -10.371 8.551 3.482 1.00 0.00 C ATOM 777 CD LYS A 54 -10.789 9.567 4.547 1.00 0.00 C ATOM 778 CE LYS A 54 -11.934 10.458 4.063 1.00 0.00 C ATOM 779 NZ LYS A 54 -12.107 11.641 4.935 1.00 0.00 N ATOM 0 H LYS A 54 -7.956 9.154 2.565 1.00 0.00 H new ATOM 0 HA LYS A 54 -7.573 6.466 3.069 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -9.625 6.770 4.418 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -8.583 8.166 4.604 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -10.085 9.089 2.578 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -11.234 7.935 3.227 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -11.095 9.041 5.451 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -9.933 10.187 4.813 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -11.736 10.783 3.042 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -12.860 9.883 4.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -12.891 12.223 4.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -12.320 11.330 5.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -11.232 12.202 4.936 1.00 0.00 H new ATOM 793 N GLY A 55 -9.028 4.997 1.794 1.00 0.00 N ATOM 794 CA GLY A 55 -9.769 4.129 0.933 1.00 0.00 C ATOM 795 C GLY A 55 -9.325 4.011 -0.484 1.00 0.00 C ATOM 796 O GLY A 55 -10.044 3.430 -1.296 1.00 0.00 O ATOM 0 H GLY A 55 -8.392 4.508 2.424 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -9.756 3.131 1.372 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -10.806 4.464 0.932 1.00 0.00 H new ATOM 800 N ASP A 56 -8.125 4.502 -0.842 1.00 0.00 N ATOM 801 CA ASP A 56 -7.516 4.195 -2.099 1.00 0.00 C ATOM 802 C ASP A 56 -6.992 2.800 -2.105 1.00 0.00 C ATOM 803 O ASP A 56 -6.809 2.168 -1.065 1.00 0.00 O ATOM 804 CB ASP A 56 -6.417 5.205 -2.472 1.00 0.00 C ATOM 805 CG ASP A 56 -6.998 6.542 -2.909 1.00 0.00 C ATOM 806 OD1 ASP A 56 -8.134 6.556 -3.452 1.00 0.00 O ATOM 807 OD2 ASP A 56 -6.333 7.598 -2.736 1.00 0.00 O ATOM 0 H ASP A 56 -7.570 5.121 -0.251 1.00 0.00 H new ATOM 0 HA ASP A 56 -8.289 4.274 -2.863 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -5.759 5.358 -1.617 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -5.805 4.795 -3.276 1.00 0.00 H new ATOM 812 N ARG A 57 -6.755 2.233 -3.301 1.00 0.00 N ATOM 813 CA ARG A 57 -6.521 0.831 -3.461 1.00 0.00 C ATOM 814 C ARG A 57 -5.203 0.621 -4.123 1.00 0.00 C ATOM 815 O ARG A 57 -5.037 0.875 -5.315 1.00 0.00 O ATOM 816 CB ARG A 57 -7.635 0.242 -4.341 1.00 0.00 C ATOM 817 CG ARG A 57 -7.804 -1.275 -4.229 1.00 0.00 C ATOM 818 CD ARG A 57 -8.288 -1.976 -5.500 1.00 0.00 C ATOM 819 NE ARG A 57 -9.318 -1.174 -6.217 1.00 0.00 N ATOM 820 CZ ARG A 57 -10.660 -1.214 -5.963 1.00 0.00 C ATOM 821 NH1 ARG A 57 -11.198 -1.533 -4.750 1.00 0.00 N ATOM 822 NH2 ARG A 57 -11.499 -0.917 -6.997 1.00 0.00 N ATOM 0 H ARG A 57 -6.725 2.759 -4.175 1.00 0.00 H new ATOM 0 HA ARG A 57 -6.517 0.341 -2.488 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -8.579 0.719 -4.077 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -7.430 0.495 -5.381 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -6.848 -1.710 -3.936 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -8.510 -1.487 -3.426 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -7.440 -2.154 -6.162 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -8.701 -2.951 -5.242 1.00 0.00 H new ATOM 0 HE ARG A 57 -8.997 -0.547 -6.954 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -10.587 -1.760 -3.965 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -12.211 -1.544 -4.628 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -11.116 -0.678 -7.912 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -12.509 -0.934 -6.855 1.00 0.00 H new ATOM 836 N VAL A 58 -4.183 0.167 -3.372 1.00 0.00 N ATOM 837 CA VAL A 58 -2.820 0.188 -3.804 1.00 0.00 C ATOM 838 C VAL A 58 -2.376 -1.164 -4.248 1.00 0.00 C ATOM 839 O VAL A 58 -2.531 -2.181 -3.574 1.00 0.00 O ATOM 840 CB VAL A 58 -1.907 0.826 -2.799 1.00 0.00 C ATOM 841 CG1 VAL A 58 -2.433 2.224 -2.433 1.00 0.00 C ATOM 842 CG2 VAL A 58 -1.791 -0.005 -1.511 1.00 0.00 C ATOM 0 H VAL A 58 -4.310 -0.225 -2.439 1.00 0.00 H new ATOM 0 HA VAL A 58 -2.759 0.833 -4.680 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.920 0.890 -3.257 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -1.767 2.684 -1.703 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.473 2.844 -3.329 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -3.433 2.137 -2.008 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -1.120 0.496 -0.814 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -2.776 -0.109 -1.055 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -1.395 -0.992 -1.749 1.00 0.00 H new ATOM 852 N LEU A 59 -1.839 -1.246 -5.479 1.00 0.00 N ATOM 853 CA LEU A 59 -1.738 -2.473 -6.204 1.00 0.00 C ATOM 854 C LEU A 59 -0.328 -2.805 -6.554 1.00 0.00 C ATOM 855 O LEU A 59 0.338 -3.533 -5.820 1.00 0.00 O ATOM 856 CB LEU A 59 -2.621 -2.410 -7.461 1.00 0.00 C ATOM 857 CG LEU A 59 -4.127 -2.310 -7.163 1.00 0.00 C ATOM 858 CD1 LEU A 59 -4.926 -2.114 -8.463 1.00 0.00 C ATOM 859 CD2 LEU A 59 -4.643 -3.543 -6.402 1.00 0.00 C ATOM 0 H LEU A 59 -1.467 -0.440 -5.981 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.095 -3.275 -5.558 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.322 -1.550 -8.060 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.439 -3.299 -8.065 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.273 -1.440 -6.523 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.989 -2.046 -8.230 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.602 -1.196 -8.954 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.754 -2.961 -9.127 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.710 -3.432 -6.211 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.472 -4.438 -7.000 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.113 -3.634 -5.454 1.00 0.00 H new ATOM 871 N ALA A 60 0.177 -2.332 -7.707 1.00 0.00 N ATOM 872 CA ALA A 60 1.403 -2.804 -8.274 1.00 0.00 C ATOM 873 C ALA A 60 2.587 -2.038 -7.794 1.00 0.00 C ATOM 874 O ALA A 60 2.586 -0.810 -7.728 1.00 0.00 O ATOM 875 CB ALA A 60 1.305 -2.793 -9.809 1.00 0.00 C ATOM 0 H ALA A 60 -0.277 -1.604 -8.259 1.00 0.00 H new ATOM 0 HA ALA A 60 1.554 -3.830 -7.937 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.241 -3.153 -10.236 1.00 0.00 H new ATOM 0 HB2 ALA A 60 0.488 -3.441 -10.126 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.116 -1.777 -10.154 1.00 0.00 H new ATOM 881 N VAL A 61 3.668 -2.748 -7.423 1.00 0.00 N ATOM 882 CA VAL A 61 4.845 -2.179 -6.844 1.00 0.00 C ATOM 883 C VAL A 61 5.865 -1.990 -7.913 1.00 0.00 C ATOM 884 O VAL A 61 6.455 -2.951 -8.404 1.00 0.00 O ATOM 885 CB VAL A 61 5.395 -3.015 -5.727 1.00 0.00 C ATOM 886 CG1 VAL A 61 6.579 -2.293 -5.062 1.00 0.00 C ATOM 887 CG2 VAL A 61 4.312 -3.304 -4.673 1.00 0.00 C ATOM 0 H VAL A 61 3.724 -3.761 -7.531 1.00 0.00 H new ATOM 0 HA VAL A 61 4.580 -1.217 -6.405 1.00 0.00 H new ATOM 0 HB VAL A 61 5.734 -3.962 -6.147 1.00 0.00 H new ATOM 0 HG11 VAL A 61 6.972 -2.908 -4.252 1.00 0.00 H new ATOM 0 HG12 VAL A 61 7.362 -2.122 -5.801 1.00 0.00 H new ATOM 0 HG13 VAL A 61 6.243 -1.336 -4.661 1.00 0.00 H new ATOM 0 HG21 VAL A 61 4.735 -3.912 -3.873 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.947 -2.364 -4.260 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.486 -3.841 -5.138 1.00 0.00 H new ATOM 897 N ASN A 62 6.082 -0.738 -8.354 1.00 0.00 N ATOM 898 CA ASN A 62 6.980 -0.332 -9.391 1.00 0.00 C ATOM 899 C ASN A 62 6.733 -1.021 -10.689 1.00 0.00 C ATOM 900 O ASN A 62 7.639 -1.469 -11.390 1.00 0.00 O ATOM 901 CB ASN A 62 8.434 -0.314 -8.894 1.00 0.00 C ATOM 902 CG ASN A 62 9.450 0.405 -9.771 1.00 0.00 C ATOM 903 OD1 ASN A 62 10.650 0.162 -9.651 1.00 0.00 O ATOM 904 ND2 ASN A 62 9.020 1.339 -10.660 1.00 0.00 N ATOM 0 H ASN A 62 5.586 0.057 -7.950 1.00 0.00 H new ATOM 0 HA ASN A 62 6.764 0.707 -9.642 1.00 0.00 H new ATOM 0 HB2 ASN A 62 8.450 0.148 -7.907 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.763 -1.346 -8.769 1.00 0.00 H new ATOM 0 HD21 ASN A 62 9.694 1.845 -11.234 1.00 0.00 H new ATOM 0 HD22 ASN A 62 8.023 1.534 -10.753 1.00 0.00 H new ATOM 911 N GLY A 63 5.442 -1.137 -11.046 1.00 0.00 N ATOM 912 CA GLY A 63 4.985 -1.807 -12.224 1.00 0.00 C ATOM 913 C GLY A 63 4.490 -3.189 -11.971 1.00 0.00 C ATOM 914 O GLY A 63 3.634 -3.683 -12.703 1.00 0.00 O ATOM 0 H GLY A 63 4.682 -0.746 -10.489 1.00 0.00 H new ATOM 0 HA2 GLY A 63 4.186 -1.221 -12.678 1.00 0.00 H new ATOM 0 HA3 GLY A 63 5.800 -1.849 -12.947 1.00 0.00 H new ATOM 918 N VAL A 64 5.009 -3.872 -10.935 1.00 0.00 N ATOM 919 CA VAL A 64 4.840 -5.277 -10.726 1.00 0.00 C ATOM 920 C VAL A 64 3.567 -5.616 -10.031 1.00 0.00 C ATOM 921 O VAL A 64 3.380 -5.356 -8.843 1.00 0.00 O ATOM 922 CB VAL A 64 5.984 -5.878 -9.964 1.00 0.00 C ATOM 923 CG1 VAL A 64 5.829 -7.402 -9.828 1.00 0.00 C ATOM 924 CG2 VAL A 64 7.299 -5.552 -10.693 1.00 0.00 C ATOM 0 H VAL A 64 5.571 -3.425 -10.211 1.00 0.00 H new ATOM 0 HA VAL A 64 4.809 -5.705 -11.728 1.00 0.00 H new ATOM 0 HB VAL A 64 5.994 -5.453 -8.960 1.00 0.00 H new ATOM 0 HG11 VAL A 64 6.675 -7.805 -9.271 1.00 0.00 H new ATOM 0 HG12 VAL A 64 4.904 -7.628 -9.297 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.798 -7.855 -10.819 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.136 -5.985 -10.145 1.00 0.00 H new ATOM 0 HG22 VAL A 64 7.270 -5.968 -11.700 1.00 0.00 H new ATOM 0 HG23 VAL A 64 7.424 -4.471 -10.751 1.00 0.00 H new ATOM 934 N SER A 65 2.622 -6.222 -10.772 1.00 0.00 N ATOM 935 CA SER A 65 1.401 -6.765 -10.262 1.00 0.00 C ATOM 936 C SER A 65 1.647 -8.088 -9.623 1.00 0.00 C ATOM 937 O SER A 65 1.762 -9.111 -10.298 1.00 0.00 O ATOM 938 CB SER A 65 0.311 -6.936 -11.332 1.00 0.00 C ATOM 939 OG SER A 65 0.226 -5.799 -12.179 1.00 0.00 O ATOM 0 H SER A 65 2.715 -6.339 -11.781 1.00 0.00 H new ATOM 0 HA SER A 65 1.039 -6.040 -9.533 1.00 0.00 H new ATOM 0 HB2 SER A 65 0.524 -7.821 -11.931 1.00 0.00 H new ATOM 0 HB3 SER A 65 -0.651 -7.103 -10.848 1.00 0.00 H new ATOM 0 HG SER A 65 -0.475 -5.942 -12.849 1.00 0.00 H new ATOM 945 N LEU A 66 1.771 -8.129 -8.284 1.00 0.00 N ATOM 946 CA LEU A 66 2.202 -9.282 -7.556 1.00 0.00 C ATOM 947 C LEU A 66 1.022 -9.966 -6.955 1.00 0.00 C ATOM 948 O LEU A 66 0.742 -9.898 -5.759 1.00 0.00 O ATOM 949 CB LEU A 66 3.255 -8.855 -6.520 1.00 0.00 C ATOM 950 CG LEU A 66 4.283 -9.923 -6.109 1.00 0.00 C ATOM 951 CD1 LEU A 66 3.646 -11.188 -5.509 1.00 0.00 C ATOM 952 CD2 LEU A 66 5.236 -10.291 -7.260 1.00 0.00 C ATOM 0 H LEU A 66 1.563 -7.329 -7.686 1.00 0.00 H new ATOM 0 HA LEU A 66 2.676 -10.008 -8.216 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.795 -7.995 -6.917 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.735 -8.518 -5.623 1.00 0.00 H new ATOM 0 HG LEU A 66 4.870 -9.458 -5.317 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.429 -11.898 -5.242 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.078 -10.922 -4.618 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.979 -11.642 -6.242 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.942 -11.048 -6.920 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.660 -10.683 -8.098 1.00 0.00 H new ATOM 0 HD23 LEU A 66 5.782 -9.403 -7.578 1.00 0.00 H new ATOM 964 N GLU A 67 0.239 -10.681 -7.783 1.00 0.00 N ATOM 965 CA GLU A 67 -0.867 -11.458 -7.316 1.00 0.00 C ATOM 966 C GLU A 67 -0.449 -12.639 -6.509 1.00 0.00 C ATOM 967 O GLU A 67 0.584 -13.255 -6.769 1.00 0.00 O ATOM 968 CB GLU A 67 -1.815 -11.841 -8.464 1.00 0.00 C ATOM 969 CG GLU A 67 -1.311 -12.920 -9.425 1.00 0.00 C ATOM 970 CD GLU A 67 -2.318 -13.222 -10.525 1.00 0.00 C ATOM 971 OE1 GLU A 67 -3.541 -13.295 -10.234 1.00 0.00 O ATOM 972 OE2 GLU A 67 -1.890 -13.415 -11.695 1.00 0.00 O ATOM 0 H GLU A 67 0.376 -10.720 -8.793 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.428 -10.819 -6.634 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -2.757 -12.180 -8.032 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -2.034 -10.943 -9.042 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.372 -12.596 -9.873 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.100 -13.832 -8.867 1.00 0.00 H new ATOM 979 N GLY A 68 -1.212 -12.998 -5.461 1.00 0.00 N ATOM 980 CA GLY A 68 -0.861 -14.047 -4.555 1.00 0.00 C ATOM 981 C GLY A 68 -0.079 -13.606 -3.366 1.00 0.00 C ATOM 982 O GLY A 68 0.392 -14.421 -2.575 1.00 0.00 O ATOM 0 H GLY A 68 -2.098 -12.546 -5.238 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -1.774 -14.534 -4.212 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -0.283 -14.797 -5.095 1.00 0.00 H new ATOM 986 N ALA A 69 0.091 -12.286 -3.171 1.00 0.00 N ATOM 987 CA ALA A 69 0.715 -11.734 -2.009 1.00 0.00 C ATOM 988 C ALA A 69 -0.162 -11.727 -0.804 1.00 0.00 C ATOM 989 O ALA A 69 -1.373 -11.529 -0.874 1.00 0.00 O ATOM 990 CB ALA A 69 1.162 -10.287 -2.276 1.00 0.00 C ATOM 0 H ALA A 69 -0.215 -11.582 -3.842 1.00 0.00 H new ATOM 0 HA ALA A 69 1.566 -12.383 -1.803 1.00 0.00 H new ATOM 0 HB1 ALA A 69 1.635 -9.881 -1.382 1.00 0.00 H new ATOM 0 HB2 ALA A 69 1.874 -10.273 -3.101 1.00 0.00 H new ATOM 0 HB3 ALA A 69 0.294 -9.680 -2.535 1.00 0.00 H new ATOM 996 N THR A 70 0.446 -11.895 0.385 1.00 0.00 N ATOM 997 CA THR A 70 -0.143 -11.654 1.666 1.00 0.00 C ATOM 998 C THR A 70 0.167 -10.264 2.102 1.00 0.00 C ATOM 999 O THR A 70 1.004 -9.578 1.519 1.00 0.00 O ATOM 1000 CB THR A 70 0.402 -12.582 2.712 1.00 0.00 C ATOM 1001 OG1 THR A 70 1.819 -12.641 2.645 1.00 0.00 O ATOM 1002 CG2 THR A 70 -0.157 -13.999 2.503 1.00 0.00 C ATOM 0 H THR A 70 1.410 -12.220 0.455 1.00 0.00 H new ATOM 0 HA THR A 70 -1.216 -11.814 1.563 1.00 0.00 H new ATOM 0 HB THR A 70 0.101 -12.200 3.688 1.00 0.00 H new ATOM 0 HG1 THR A 70 2.154 -13.250 3.336 1.00 0.00 H new ATOM 0 HG21 THR A 70 0.244 -14.665 3.267 1.00 0.00 H new ATOM 0 HG22 THR A 70 -1.244 -13.976 2.577 1.00 0.00 H new ATOM 0 HG23 THR A 70 0.132 -14.362 1.517 1.00 0.00 H new ATOM 1010 N HIS A 71 -0.467 -9.798 3.193 1.00 0.00 N ATOM 1011 CA HIS A 71 -0.140 -8.565 3.839 1.00 0.00 C ATOM 1012 C HIS A 71 1.259 -8.535 4.349 1.00 0.00 C ATOM 1013 O HIS A 71 1.972 -7.554 4.141 1.00 0.00 O ATOM 1014 CB HIS A 71 -1.161 -8.217 4.935 1.00 0.00 C ATOM 1015 CG HIS A 71 -1.074 -6.830 5.498 1.00 0.00 C ATOM 1016 ND1 HIS A 71 -0.583 -5.723 4.837 1.00 0.00 N ATOM 1017 CD2 HIS A 71 -1.503 -6.373 6.705 1.00 0.00 C ATOM 1018 CE1 HIS A 71 -0.720 -4.663 5.677 1.00 0.00 C ATOM 1019 NE2 HIS A 71 -1.260 -5.021 6.828 1.00 0.00 N ATOM 0 H HIS A 71 -1.235 -10.298 3.641 1.00 0.00 H new ATOM 0 HA HIS A 71 -0.199 -7.788 3.077 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -2.163 -8.361 4.530 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -1.043 -8.928 5.753 1.00 0.00 H new ATOM 0 HD1 HIS A 71 -0.191 -5.704 3.896 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -1.970 -6.985 7.463 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -0.424 -3.653 5.433 1.00 0.00 H new ATOM 1027 N LYS A 72 1.744 -9.637 4.949 1.00 0.00 N ATOM 1028 CA LYS A 72 3.115 -9.876 5.278 1.00 0.00 C ATOM 1029 C LYS A 72 4.077 -9.627 4.169 1.00 0.00 C ATOM 1030 O LYS A 72 5.046 -8.886 4.333 1.00 0.00 O ATOM 1031 CB LYS A 72 3.276 -11.312 5.805 1.00 0.00 C ATOM 1032 CG LYS A 72 4.696 -11.841 6.013 1.00 0.00 C ATOM 1033 CD LYS A 72 5.565 -11.075 7.013 1.00 0.00 C ATOM 1034 CE LYS A 72 5.182 -11.299 8.478 1.00 0.00 C ATOM 1035 NZ LYS A 72 6.126 -10.579 9.361 1.00 0.00 N ATOM 0 H LYS A 72 1.138 -10.411 5.222 1.00 0.00 H new ATOM 0 HA LYS A 72 3.368 -9.147 6.047 1.00 0.00 H new ATOM 0 HB2 LYS A 72 2.751 -11.380 6.758 1.00 0.00 H new ATOM 0 HB3 LYS A 72 2.767 -11.982 5.112 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.630 -12.878 6.341 1.00 0.00 H new ATOM 0 HG3 LYS A 72 5.205 -11.843 5.049 1.00 0.00 H new ATOM 0 HD2 LYS A 72 6.605 -11.368 6.872 1.00 0.00 H new ATOM 0 HD3 LYS A 72 5.501 -10.010 6.791 1.00 0.00 H new ATOM 0 HE2 LYS A 72 4.165 -10.948 8.655 1.00 0.00 H new ATOM 0 HE3 LYS A 72 5.196 -12.364 8.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 5.860 -10.735 10.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 7.090 -10.934 9.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 6.092 -9.561 9.150 1.00 0.00 H new ATOM 1049 N GLN A 73 3.856 -10.198 2.971 1.00 0.00 N ATOM 1050 CA GLN A 73 4.738 -10.031 1.859 1.00 0.00 C ATOM 1051 C GLN A 73 4.693 -8.656 1.287 1.00 0.00 C ATOM 1052 O GLN A 73 5.724 -8.103 0.909 1.00 0.00 O ATOM 1053 CB GLN A 73 4.441 -11.063 0.758 1.00 0.00 C ATOM 1054 CG GLN A 73 4.861 -12.490 1.116 1.00 0.00 C ATOM 1055 CD GLN A 73 6.350 -12.604 1.406 1.00 0.00 C ATOM 1056 OE1 GLN A 73 6.769 -12.859 2.534 1.00 0.00 O ATOM 1057 NE2 GLN A 73 7.194 -12.429 0.353 1.00 0.00 N ATOM 0 H GLN A 73 3.048 -10.788 2.772 1.00 0.00 H new ATOM 0 HA GLN A 73 5.745 -10.193 2.244 1.00 0.00 H new ATOM 0 HB2 GLN A 73 3.373 -11.052 0.543 1.00 0.00 H new ATOM 0 HB3 GLN A 73 4.953 -10.762 -0.156 1.00 0.00 H new ATOM 0 HG2 GLN A 73 4.298 -12.823 1.988 1.00 0.00 H new ATOM 0 HG3 GLN A 73 4.602 -13.158 0.295 1.00 0.00 H new ATOM 0 HE21 GLN A 73 6.819 -12.218 -0.572 1.00 0.00 H new ATOM 0 HE22 GLN A 73 8.202 -12.509 0.489 1.00 0.00 H new ATOM 1066 N ALA A 74 3.522 -7.995 1.249 1.00 0.00 N ATOM 1067 CA ALA A 74 3.393 -6.617 0.886 1.00 0.00 C ATOM 1068 C ALA A 74 4.127 -5.694 1.795 1.00 0.00 C ATOM 1069 O ALA A 74 4.806 -4.758 1.374 1.00 0.00 O ATOM 1070 CB ALA A 74 1.902 -6.238 0.895 1.00 0.00 C ATOM 0 H ALA A 74 2.632 -8.436 1.480 1.00 0.00 H new ATOM 0 HA ALA A 74 3.833 -6.507 -0.105 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.792 -5.189 0.620 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.364 -6.860 0.179 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.492 -6.396 1.893 1.00 0.00 H new ATOM 1076 N VAL A 75 4.055 -5.946 3.114 1.00 0.00 N ATOM 1077 CA VAL A 75 4.699 -5.183 4.139 1.00 0.00 C ATOM 1078 C VAL A 75 6.181 -5.319 4.085 1.00 0.00 C ATOM 1079 O VAL A 75 6.903 -4.325 4.153 1.00 0.00 O ATOM 1080 CB VAL A 75 4.086 -5.437 5.484 1.00 0.00 C ATOM 1081 CG1 VAL A 75 4.920 -4.850 6.634 1.00 0.00 C ATOM 1082 CG2 VAL A 75 2.685 -4.806 5.436 1.00 0.00 C ATOM 0 H VAL A 75 3.516 -6.728 3.487 1.00 0.00 H new ATOM 0 HA VAL A 75 4.517 -4.126 3.947 1.00 0.00 H new ATOM 0 HB VAL A 75 4.042 -6.508 5.684 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.430 -5.063 7.584 1.00 0.00 H new ATOM 0 HG12 VAL A 75 5.913 -5.299 6.629 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.009 -3.771 6.505 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.184 -4.958 6.392 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.774 -3.738 5.239 1.00 0.00 H new ATOM 0 HG23 VAL A 75 2.102 -5.274 4.643 1.00 0.00 H new ATOM 1092 N GLU A 76 6.720 -6.536 3.894 1.00 0.00 N ATOM 1093 CA GLU A 76 8.126 -6.722 3.702 1.00 0.00 C ATOM 1094 C GLU A 76 8.621 -6.297 2.362 1.00 0.00 C ATOM 1095 O GLU A 76 9.821 -6.131 2.151 1.00 0.00 O ATOM 1096 CB GLU A 76 8.561 -8.154 4.059 1.00 0.00 C ATOM 1097 CG GLU A 76 10.021 -8.195 4.515 1.00 0.00 C ATOM 1098 CD GLU A 76 10.425 -9.548 5.082 1.00 0.00 C ATOM 1099 OE1 GLU A 76 10.565 -10.525 4.298 1.00 0.00 O ATOM 1100 OE2 GLU A 76 10.655 -9.634 6.318 1.00 0.00 O ATOM 0 H GLU A 76 6.177 -7.399 3.872 1.00 0.00 H new ATOM 0 HA GLU A 76 8.610 -6.043 4.404 1.00 0.00 H new ATOM 0 HB2 GLU A 76 7.920 -8.545 4.849 1.00 0.00 H new ATOM 0 HB3 GLU A 76 8.430 -8.803 3.193 1.00 0.00 H new ATOM 0 HG2 GLU A 76 10.667 -7.952 3.671 1.00 0.00 H new ATOM 0 HG3 GLU A 76 10.182 -7.427 5.271 1.00 0.00 H new ATOM 1107 N THR A 77 7.743 -6.038 1.375 1.00 0.00 N ATOM 1108 CA THR A 77 8.119 -5.456 0.125 1.00 0.00 C ATOM 1109 C THR A 77 8.478 -4.022 0.312 1.00 0.00 C ATOM 1110 O THR A 77 9.593 -3.606 0.001 1.00 0.00 O ATOM 1111 CB THR A 77 7.071 -5.548 -0.945 1.00 0.00 C ATOM 1112 OG1 THR A 77 6.748 -6.904 -1.217 1.00 0.00 O ATOM 1113 CG2 THR A 77 7.568 -4.971 -2.280 1.00 0.00 C ATOM 0 H THR A 77 6.746 -6.239 1.449 1.00 0.00 H new ATOM 0 HA THR A 77 8.973 -6.041 -0.215 1.00 0.00 H new ATOM 0 HB THR A 77 6.214 -4.989 -0.570 1.00 0.00 H new ATOM 0 HG1 THR A 77 6.449 -7.341 -0.392 1.00 0.00 H new ATOM 0 HG21 THR A 77 6.781 -5.056 -3.029 1.00 0.00 H new ATOM 0 HG22 THR A 77 7.831 -3.921 -2.147 1.00 0.00 H new ATOM 0 HG23 THR A 77 8.446 -5.526 -2.612 1.00 0.00 H new ATOM 1121 N LEU A 78 7.563 -3.194 0.846 1.00 0.00 N ATOM 1122 CA LEU A 78 7.776 -1.782 0.929 1.00 0.00 C ATOM 1123 C LEU A 78 8.623 -1.339 2.072 1.00 0.00 C ATOM 1124 O LEU A 78 9.259 -0.289 1.997 1.00 0.00 O ATOM 1125 CB LEU A 78 6.445 -1.015 0.869 1.00 0.00 C ATOM 1126 CG LEU A 78 5.711 -1.185 -0.472 1.00 0.00 C ATOM 1127 CD1 LEU A 78 4.282 -0.621 -0.393 1.00 0.00 C ATOM 1128 CD2 LEU A 78 6.465 -0.517 -1.635 1.00 0.00 C ATOM 0 H LEU A 78 6.668 -3.506 1.223 1.00 0.00 H new ATOM 0 HA LEU A 78 8.364 -1.530 0.046 1.00 0.00 H new ATOM 0 HB2 LEU A 78 5.798 -1.358 1.677 1.00 0.00 H new ATOM 0 HB3 LEU A 78 6.635 0.044 1.041 1.00 0.00 H new ATOM 0 HG LEU A 78 5.666 -2.256 -0.669 1.00 0.00 H new ATOM 0 HD11 LEU A 78 3.785 -0.754 -1.354 1.00 0.00 H new ATOM 0 HD12 LEU A 78 3.724 -1.150 0.380 1.00 0.00 H new ATOM 0 HD13 LEU A 78 4.323 0.441 -0.149 1.00 0.00 H new ATOM 0 HD21 LEU A 78 5.909 -0.663 -2.561 1.00 0.00 H new ATOM 0 HD22 LEU A 78 6.567 0.550 -1.438 1.00 0.00 H new ATOM 0 HD23 LEU A 78 7.454 -0.964 -1.732 1.00 0.00 H new ATOM 1140 N ARG A 79 8.781 -2.142 3.139 1.00 0.00 N ATOM 1141 CA ARG A 79 9.793 -1.900 4.120 1.00 0.00 C ATOM 1142 C ARG A 79 11.164 -2.210 3.624 1.00 0.00 C ATOM 1143 O ARG A 79 12.144 -1.642 4.101 1.00 0.00 O ATOM 1144 CB ARG A 79 9.520 -2.602 5.461 1.00 0.00 C ATOM 1145 CG ARG A 79 8.439 -1.912 6.298 1.00 0.00 C ATOM 1146 CD ARG A 79 8.249 -2.483 7.704 1.00 0.00 C ATOM 1147 NE ARG A 79 7.231 -1.636 8.389 1.00 0.00 N ATOM 1148 CZ ARG A 79 7.382 -1.121 9.643 1.00 0.00 C ATOM 1149 NH1 ARG A 79 8.337 -1.555 10.517 1.00 0.00 N ATOM 1150 NH2 ARG A 79 6.531 -0.144 10.074 1.00 0.00 N ATOM 0 H ARG A 79 8.205 -2.963 3.323 1.00 0.00 H new ATOM 0 HA ARG A 79 9.748 -0.827 4.309 1.00 0.00 H new ATOM 0 HB2 ARG A 79 9.219 -3.632 5.269 1.00 0.00 H new ATOM 0 HB3 ARG A 79 10.445 -2.642 6.037 1.00 0.00 H new ATOM 0 HG2 ARG A 79 8.686 -0.854 6.382 1.00 0.00 H new ATOM 0 HG3 ARG A 79 7.491 -1.977 5.764 1.00 0.00 H new ATOM 0 HD2 ARG A 79 7.918 -3.520 7.657 1.00 0.00 H new ATOM 0 HD3 ARG A 79 9.190 -2.474 8.254 1.00 0.00 H new ATOM 0 HE ARG A 79 6.367 -1.429 7.888 1.00 0.00 H new ATOM 0 HH11 ARG A 79 8.980 -2.298 10.243 1.00 0.00 H new ATOM 0 HH12 ARG A 79 8.408 -1.136 11.444 1.00 0.00 H new ATOM 0 HH21 ARG A 79 5.790 0.195 9.460 1.00 0.00 H new ATOM 0 HH22 ARG A 79 6.636 0.247 11.010 1.00 0.00 H new ATOM 1164 N ASN A 80 11.329 -3.072 2.605 1.00 0.00 N ATOM 1165 CA ASN A 80 12.583 -3.339 1.970 1.00 0.00 C ATOM 1166 C ASN A 80 12.823 -2.432 0.812 1.00 0.00 C ATOM 1167 O ASN A 80 13.106 -2.854 -0.307 1.00 0.00 O ATOM 1168 CB ASN A 80 12.622 -4.820 1.559 1.00 0.00 C ATOM 1169 CG ASN A 80 14.028 -5.333 1.283 1.00 0.00 C ATOM 1170 OD1 ASN A 80 14.998 -4.961 1.940 1.00 0.00 O ATOM 1171 ND2 ASN A 80 14.143 -6.265 0.298 1.00 0.00 N ATOM 0 H ASN A 80 10.556 -3.606 2.207 1.00 0.00 H new ATOM 0 HA ASN A 80 13.392 -3.142 2.674 1.00 0.00 H new ATOM 0 HB2 ASN A 80 12.172 -5.421 2.350 1.00 0.00 H new ATOM 0 HB3 ASN A 80 12.011 -4.958 0.667 1.00 0.00 H new ATOM 0 HD21 ASN A 80 15.053 -6.675 0.088 1.00 0.00 H new ATOM 0 HD22 ASN A 80 13.319 -6.553 -0.230 1.00 0.00 H new ATOM 1178 N THR A 81 12.709 -1.113 1.047 1.00 0.00 N ATOM 1179 CA THR A 81 12.967 -0.068 0.105 1.00 0.00 C ATOM 1180 C THR A 81 14.214 0.663 0.466 1.00 0.00 C ATOM 1181 O THR A 81 15.317 0.264 0.098 1.00 0.00 O ATOM 1182 CB THR A 81 11.828 0.887 -0.095 1.00 0.00 C ATOM 1183 OG1 THR A 81 11.278 1.347 1.131 1.00 0.00 O ATOM 1184 CG2 THR A 81 10.702 0.185 -0.875 1.00 0.00 C ATOM 0 H THR A 81 12.417 -0.753 1.956 1.00 0.00 H new ATOM 0 HA THR A 81 13.096 -0.565 -0.856 1.00 0.00 H new ATOM 0 HB THR A 81 12.228 1.742 -0.640 1.00 0.00 H new ATOM 0 HG1 THR A 81 10.626 0.694 1.463 1.00 0.00 H new ATOM 0 HG21 THR A 81 9.874 0.878 -1.021 1.00 0.00 H new ATOM 0 HG22 THR A 81 11.079 -0.139 -1.845 1.00 0.00 H new ATOM 0 HG23 THR A 81 10.355 -0.682 -0.312 1.00 0.00 H new ATOM 1192 N GLY A 82 14.094 1.775 1.214 1.00 0.00 N ATOM 1193 CA GLY A 82 15.188 2.577 1.666 1.00 0.00 C ATOM 1194 C GLY A 82 15.359 3.818 0.859 1.00 0.00 C ATOM 1195 O GLY A 82 15.263 4.934 1.370 1.00 0.00 O ATOM 0 H GLY A 82 13.188 2.132 1.518 1.00 0.00 H new ATOM 0 HA2 GLY A 82 15.030 2.846 2.710 1.00 0.00 H new ATOM 0 HA3 GLY A 82 16.106 1.991 1.623 1.00 0.00 H new ATOM 1199 N GLN A 83 15.596 3.678 -0.457 1.00 0.00 N ATOM 1200 CA GLN A 83 15.780 4.771 -1.361 1.00 0.00 C ATOM 1201 C GLN A 83 14.510 5.341 -1.893 1.00 0.00 C ATOM 1202 O GLN A 83 14.049 6.402 -1.476 1.00 0.00 O ATOM 1203 CB GLN A 83 16.732 4.352 -2.494 1.00 0.00 C ATOM 1204 CG GLN A 83 17.187 5.499 -3.401 1.00 0.00 C ATOM 1205 CD GLN A 83 18.097 4.974 -4.502 1.00 0.00 C ATOM 1206 OE1 GLN A 83 18.620 3.863 -4.448 1.00 0.00 O ATOM 1207 NE2 GLN A 83 18.299 5.795 -5.567 1.00 0.00 N ATOM 0 H GLN A 83 15.662 2.767 -0.910 1.00 0.00 H new ATOM 0 HA GLN A 83 16.229 5.583 -0.788 1.00 0.00 H new ATOM 0 HB2 GLN A 83 17.612 3.882 -2.056 1.00 0.00 H new ATOM 0 HB3 GLN A 83 16.238 3.597 -3.105 1.00 0.00 H new ATOM 0 HG2 GLN A 83 16.319 5.990 -3.841 1.00 0.00 H new ATOM 0 HG3 GLN A 83 17.714 6.250 -2.812 1.00 0.00 H new ATOM 0 HE21 GLN A 83 17.856 6.714 -5.594 1.00 0.00 H new ATOM 0 HE22 GLN A 83 18.893 5.492 -6.339 1.00 0.00 H new ATOM 1216 N VAL A 84 13.894 4.645 -2.866 1.00 0.00 N ATOM 1217 CA VAL A 84 12.906 5.157 -3.764 1.00 0.00 C ATOM 1218 C VAL A 84 11.685 4.303 -3.775 1.00 0.00 C ATOM 1219 O VAL A 84 11.761 3.080 -3.662 1.00 0.00 O ATOM 1220 CB VAL A 84 13.511 5.307 -5.129 1.00 0.00 C ATOM 1221 CG1 VAL A 84 13.954 3.968 -5.740 1.00 0.00 C ATOM 1222 CG2 VAL A 84 12.589 6.067 -6.097 1.00 0.00 C ATOM 0 H VAL A 84 14.100 3.661 -3.035 1.00 0.00 H new ATOM 0 HA VAL A 84 12.581 6.140 -3.422 1.00 0.00 H new ATOM 0 HB VAL A 84 14.409 5.907 -4.981 1.00 0.00 H new ATOM 0 HG11 VAL A 84 14.383 4.143 -6.727 1.00 0.00 H new ATOM 0 HG12 VAL A 84 14.701 3.504 -5.096 1.00 0.00 H new ATOM 0 HG13 VAL A 84 13.092 3.307 -5.831 1.00 0.00 H new ATOM 0 HG21 VAL A 84 13.072 6.149 -7.071 1.00 0.00 H new ATOM 0 HG22 VAL A 84 11.648 5.527 -6.203 1.00 0.00 H new ATOM 0 HG23 VAL A 84 12.392 7.065 -5.704 1.00 0.00 H new ATOM 1232 N VAL A 85 10.495 4.919 -3.892 1.00 0.00 N ATOM 1233 CA VAL A 85 9.214 4.288 -3.828 1.00 0.00 C ATOM 1234 C VAL A 85 8.414 4.638 -5.036 1.00 0.00 C ATOM 1235 O VAL A 85 8.278 5.809 -5.386 1.00 0.00 O ATOM 1236 CB VAL A 85 8.471 4.725 -2.600 1.00 0.00 C ATOM 1237 CG1 VAL A 85 7.040 4.162 -2.551 1.00 0.00 C ATOM 1238 CG2 VAL A 85 9.233 4.284 -1.339 1.00 0.00 C ATOM 0 H VAL A 85 10.425 5.926 -4.041 1.00 0.00 H new ATOM 0 HA VAL A 85 9.365 3.209 -3.787 1.00 0.00 H new ATOM 0 HB VAL A 85 8.401 5.812 -2.638 1.00 0.00 H new ATOM 0 HG11 VAL A 85 6.544 4.507 -1.644 1.00 0.00 H new ATOM 0 HG12 VAL A 85 6.483 4.507 -3.422 1.00 0.00 H new ATOM 0 HG13 VAL A 85 7.077 3.073 -2.552 1.00 0.00 H new ATOM 0 HG21 VAL A 85 8.686 4.605 -0.452 1.00 0.00 H new ATOM 0 HG22 VAL A 85 9.328 3.198 -1.333 1.00 0.00 H new ATOM 0 HG23 VAL A 85 10.225 4.735 -1.337 1.00 0.00 H new ATOM 1248 N HIS A 86 7.837 3.658 -5.753 1.00 0.00 N ATOM 1249 CA HIS A 86 6.999 3.928 -6.880 1.00 0.00 C ATOM 1250 C HIS A 86 5.876 2.949 -6.919 1.00 0.00 C ATOM 1251 O HIS A 86 6.085 1.748 -7.074 1.00 0.00 O ATOM 1252 CB HIS A 86 7.803 3.872 -8.190 1.00 0.00 C ATOM 1253 CG HIS A 86 7.196 4.541 -9.388 1.00 0.00 C ATOM 1254 ND1 HIS A 86 8.035 4.875 -10.433 1.00 0.00 N ATOM 1255 CD2 HIS A 86 5.916 4.884 -9.692 1.00 0.00 C ATOM 1256 CE1 HIS A 86 7.261 5.438 -11.342 1.00 0.00 C ATOM 1257 NE2 HIS A 86 5.959 5.451 -10.950 1.00 0.00 N ATOM 0 H HIS A 86 7.953 2.665 -5.549 1.00 0.00 H new ATOM 0 HA HIS A 86 6.594 4.935 -6.777 1.00 0.00 H new ATOM 0 HB2 HIS A 86 8.779 4.322 -8.008 1.00 0.00 H new ATOM 0 HB3 HIS A 86 7.976 2.825 -8.438 1.00 0.00 H new ATOM 0 HD2 HIS A 86 5.042 4.742 -9.074 1.00 0.00 H new ATOM 0 HE1 HIS A 86 7.617 5.838 -12.280 1.00 0.00 H new ATOM 0 HE2 HIS A 86 5.167 5.810 -11.483 1.00 0.00 H new ATOM 1265 N LEU A 87 4.623 3.410 -6.753 1.00 0.00 N ATOM 1266 CA LEU A 87 3.494 2.546 -6.605 1.00 0.00 C ATOM 1267 C LEU A 87 2.409 2.904 -7.562 1.00 0.00 C ATOM 1268 O LEU A 87 2.295 4.057 -7.973 1.00 0.00 O ATOM 1269 CB LEU A 87 2.931 2.644 -5.176 1.00 0.00 C ATOM 1270 CG LEU A 87 3.747 1.834 -4.154 1.00 0.00 C ATOM 1271 CD1 LEU A 87 3.696 2.505 -2.772 1.00 0.00 C ATOM 1272 CD2 LEU A 87 3.229 0.386 -4.093 1.00 0.00 C ATOM 0 H LEU A 87 4.390 4.403 -6.721 1.00 0.00 H new ATOM 0 HA LEU A 87 3.834 1.531 -6.809 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.911 3.690 -4.870 1.00 0.00 H new ATOM 0 HB3 LEU A 87 1.900 2.291 -5.172 1.00 0.00 H new ATOM 0 HG LEU A 87 4.789 1.808 -4.472 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.278 1.919 -2.061 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.112 3.510 -2.840 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.662 2.562 -2.433 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.813 -0.179 -3.367 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.181 0.387 -3.794 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.326 -0.077 -5.075 1.00 0.00 H new ATOM 1284 N LEU A 88 1.566 1.920 -7.922 1.00 0.00 N ATOM 1285 CA LEU A 88 0.470 2.055 -8.829 1.00 0.00 C ATOM 1286 C LEU A 88 -0.762 1.703 -8.069 1.00 0.00 C ATOM 1287 O LEU A 88 -0.821 0.693 -7.370 1.00 0.00 O ATOM 1288 CB LEU A 88 0.575 1.072 -10.007 1.00 0.00 C ATOM 1289 CG LEU A 88 1.349 1.550 -11.248 1.00 0.00 C ATOM 1290 CD1 LEU A 88 0.551 2.607 -12.029 1.00 0.00 C ATOM 1291 CD2 LEU A 88 2.776 2.034 -10.943 1.00 0.00 C ATOM 0 H LEU A 88 1.656 0.972 -7.556 1.00 0.00 H new ATOM 0 HA LEU A 88 0.461 3.070 -9.226 1.00 0.00 H new ATOM 0 HB2 LEU A 88 1.046 0.158 -9.645 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.435 0.808 -10.319 1.00 0.00 H new ATOM 0 HG LEU A 88 1.468 0.670 -11.880 1.00 0.00 H new ATOM 0 HD11 LEU A 88 1.124 2.925 -12.900 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.397 2.180 -12.355 1.00 0.00 H new ATOM 0 HD13 LEU A 88 0.360 3.467 -11.387 1.00 0.00 H new ATOM 0 HD21 LEU A 88 3.257 2.354 -11.867 1.00 0.00 H new ATOM 0 HD22 LEU A 88 2.735 2.871 -10.246 1.00 0.00 H new ATOM 0 HD23 LEU A 88 3.349 1.220 -10.499 1.00 0.00 H new ATOM 1303 N LEU A 89 -1.798 2.557 -8.151 1.00 0.00 N ATOM 1304 CA LEU A 89 -2.955 2.461 -7.316 1.00 0.00 C ATOM 1305 C LEU A 89 -4.164 2.905 -8.065 1.00 0.00 C ATOM 1306 O LEU A 89 -4.085 3.747 -8.958 1.00 0.00 O ATOM 1307 CB LEU A 89 -2.808 3.256 -6.007 1.00 0.00 C ATOM 1308 CG LEU A 89 -2.350 4.724 -6.049 1.00 0.00 C ATOM 1309 CD1 LEU A 89 -2.675 5.387 -4.700 1.00 0.00 C ATOM 1310 CD2 LEU A 89 -0.843 4.896 -6.302 1.00 0.00 C ATOM 0 H LEU A 89 -1.832 3.332 -8.813 1.00 0.00 H new ATOM 0 HA LEU A 89 -3.066 1.413 -7.036 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.774 3.231 -5.502 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -2.104 2.714 -5.375 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.880 5.187 -6.882 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -2.354 6.428 -4.720 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.749 5.342 -4.522 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -2.152 4.861 -3.901 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -0.596 5.957 -6.318 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -0.282 4.405 -5.507 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -0.582 4.448 -7.261 1.00 0.00 H new ATOM 1322 N GLU A 90 -5.343 2.365 -7.707 1.00 0.00 N ATOM 1323 CA GLU A 90 -6.606 2.720 -8.276 1.00 0.00 C ATOM 1324 C GLU A 90 -7.291 3.589 -7.278 1.00 0.00 C ATOM 1325 O GLU A 90 -7.291 3.297 -6.083 1.00 0.00 O ATOM 1326 CB GLU A 90 -7.471 1.477 -8.542 1.00 0.00 C ATOM 1327 CG GLU A 90 -8.779 1.768 -9.280 1.00 0.00 C ATOM 1328 CD GLU A 90 -9.749 0.597 -9.304 1.00 0.00 C ATOM 1329 OE1 GLU A 90 -9.405 -0.533 -8.867 1.00 0.00 O ATOM 1330 OE2 GLU A 90 -10.916 0.810 -9.731 1.00 0.00 O ATOM 0 H GLU A 90 -5.419 1.647 -6.987 1.00 0.00 H new ATOM 0 HA GLU A 90 -6.458 3.225 -9.230 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -6.890 0.762 -9.124 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.703 0.999 -7.590 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -9.267 2.622 -8.810 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -8.549 2.057 -10.305 1.00 0.00 H new ATOM 1337 N LYS A 91 -7.888 4.715 -7.709 1.00 0.00 N ATOM 1338 CA LYS A 91 -8.523 5.598 -6.779 1.00 0.00 C ATOM 1339 C LYS A 91 -9.833 5.110 -6.263 1.00 0.00 C ATOM 1340 O LYS A 91 -10.638 4.521 -6.982 1.00 0.00 O ATOM 1341 CB LYS A 91 -8.593 7.059 -7.256 1.00 0.00 C ATOM 1342 CG LYS A 91 -8.143 7.969 -6.110 1.00 0.00 C ATOM 1343 CD LYS A 91 -7.808 9.428 -6.422 1.00 0.00 C ATOM 1344 CE LYS A 91 -6.874 10.023 -5.365 1.00 0.00 C ATOM 1345 NZ LYS A 91 -7.388 9.811 -3.994 1.00 0.00 N ATOM 0 H LYS A 91 -7.932 5.011 -8.684 1.00 0.00 H new ATOM 0 HA LYS A 91 -7.851 5.591 -5.921 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -7.954 7.204 -8.127 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.609 7.309 -7.561 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -8.929 7.964 -5.355 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -7.262 7.517 -5.655 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -7.338 9.494 -7.403 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -8.727 10.012 -6.469 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -5.887 9.571 -5.457 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -6.753 11.091 -5.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -7.237 10.672 -3.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -8.405 9.597 -4.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -6.883 9.016 -3.553 1.00 0.00 H new ATOM 1359 N GLY A 92 -10.047 5.282 -4.947 1.00 0.00 N ATOM 1360 CA GLY A 92 -11.112 4.672 -4.213 1.00 0.00 C ATOM 1361 C GLY A 92 -12.438 5.348 -4.293 1.00 0.00 C ATOM 1362 O GLY A 92 -12.647 6.325 -5.009 1.00 0.00 O ATOM 0 H GLY A 92 -9.451 5.873 -4.368 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -11.228 3.647 -4.566 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -10.818 4.617 -3.165 1.00 0.00 H new ATOM 1560 N GLN B 11 -2.852 -9.369 11.193 1.00 0.00 N ATOM 1561 CA GLN B 11 -2.882 -8.102 11.855 1.00 0.00 C ATOM 1562 C GLN B 11 -2.428 -6.990 10.973 1.00 0.00 C ATOM 1563 O GLN B 11 -2.268 -7.165 9.766 1.00 0.00 O ATOM 1564 CB GLN B 11 -2.062 -8.161 13.154 1.00 0.00 C ATOM 1565 CG GLN B 11 -0.595 -8.559 12.978 1.00 0.00 C ATOM 1566 CD GLN B 11 0.183 -8.544 14.286 1.00 0.00 C ATOM 1567 OE1 GLN B 11 1.284 -8.002 14.370 1.00 0.00 O ATOM 1568 NE2 GLN B 11 -0.388 -9.160 15.355 1.00 0.00 N ATOM 0 HA GLN B 11 -3.920 -7.887 12.109 1.00 0.00 H new ATOM 0 HB2 GLN B 11 -2.102 -7.184 13.635 1.00 0.00 H new ATOM 0 HB3 GLN B 11 -2.536 -8.870 13.833 1.00 0.00 H new ATOM 0 HG2 GLN B 11 -0.544 -9.557 12.542 1.00 0.00 H new ATOM 0 HG3 GLN B 11 -0.121 -7.878 12.271 1.00 0.00 H new ATOM 0 HE21 GLN B 11 -1.302 -9.602 15.260 1.00 0.00 H new ATOM 0 HE22 GLN B 11 0.098 -9.180 16.252 1.00 0.00 H new ATOM 1577 N VAL B 12 -2.196 -5.786 11.527 1.00 0.00 N ATOM 1578 CA VAL B 12 -2.320 -4.544 10.829 1.00 0.00 C ATOM 1579 C VAL B 12 -1.013 -3.830 10.830 1.00 0.00 C ATOM 1580 O VAL B 12 -0.266 -3.853 11.807 1.00 0.00 O ATOM 1581 CB VAL B 12 -3.373 -3.709 11.495 1.00 0.00 C ATOM 1582 CG1 VAL B 12 -3.565 -2.351 10.799 1.00 0.00 C ATOM 1583 CG2 VAL B 12 -4.717 -4.456 11.468 1.00 0.00 C ATOM 0 H VAL B 12 -1.911 -5.674 12.500 1.00 0.00 H new ATOM 0 HA VAL B 12 -2.611 -4.730 9.795 1.00 0.00 H new ATOM 0 HB VAL B 12 -3.041 -3.531 12.518 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -4.337 -1.783 11.317 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -2.628 -1.795 10.822 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -3.866 -2.512 9.764 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -5.481 -3.848 11.952 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -5.006 -4.647 10.435 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -4.617 -5.403 11.998 1.00 0.00 H new ATOM 1593 N SER B 13 -0.641 -3.214 9.692 1.00 0.00 N ATOM 1594 CA SER B 13 0.678 -2.729 9.428 1.00 0.00 C ATOM 1595 C SER B 13 0.689 -1.305 8.988 1.00 0.00 C ATOM 1596 O SER B 13 -0.307 -0.785 8.489 1.00 0.00 O ATOM 1597 CB SER B 13 1.353 -3.535 8.307 1.00 0.00 C ATOM 1598 OG SER B 13 1.248 -4.927 8.569 1.00 0.00 O ATOM 0 H SER B 13 -1.289 -3.047 8.922 1.00 0.00 H new ATOM 0 HA SER B 13 1.213 -2.832 10.372 1.00 0.00 H new ATOM 0 HB2 SER B 13 0.886 -3.302 7.350 1.00 0.00 H new ATOM 0 HB3 SER B 13 2.402 -3.251 8.227 1.00 0.00 H new ATOM 0 HG SER B 13 0.470 -5.291 8.097 1.00 0.00 H new ATOM 1604 N ALA B 14 1.827 -0.607 9.154 1.00 0.00 N ATOM 1605 CA ALA B 14 2.021 0.717 8.650 1.00 0.00 C ATOM 1606 C ALA B 14 3.412 0.871 8.137 1.00 0.00 C ATOM 1607 O ALA B 14 4.318 0.133 8.519 1.00 0.00 O ATOM 1608 CB ALA B 14 1.753 1.751 9.754 1.00 0.00 C ATOM 0 H ALA B 14 2.636 -0.975 9.654 1.00 0.00 H new ATOM 0 HA ALA B 14 1.320 0.885 7.832 1.00 0.00 H new ATOM 0 HB1 ALA B 14 1.904 2.755 9.357 1.00 0.00 H new ATOM 0 HB2 ALA B 14 0.726 1.651 10.105 1.00 0.00 H new ATOM 0 HB3 ALA B 14 2.438 1.582 10.585 1.00 0.00 H new ATOM 1614 N VAL B 15 3.642 1.801 7.193 1.00 0.00 N ATOM 1615 CA VAL B 15 4.933 2.228 6.748 1.00 0.00 C ATOM 1616 C VAL B 15 4.785 3.644 6.210 1.00 0.00 C ATOM 1617 O VAL B 15 3.710 3.994 5.656 1.00 0.00 O ATOM 1618 CB VAL B 15 5.580 1.311 5.754 1.00 0.00 C ATOM 1619 CG1 VAL B 15 4.758 1.196 4.459 1.00 0.00 C ATOM 1620 CG2 VAL B 15 7.023 1.748 5.447 1.00 0.00 C ATOM 1621 OXT VAL B 15 5.721 4.470 6.385 1.00 0.00 O ATOM 0 H VAL B 15 2.882 2.283 6.712 1.00 0.00 H new ATOM 0 HA VAL B 15 5.616 2.204 7.597 1.00 0.00 H new ATOM 0 HB VAL B 15 5.614 0.322 6.210 1.00 0.00 H new ATOM 0 HG11 VAL B 15 5.263 0.522 3.766 1.00 0.00 H new ATOM 0 HG12 VAL B 15 3.768 0.804 4.690 1.00 0.00 H new ATOM 0 HG13 VAL B 15 4.660 2.180 4.001 1.00 0.00 H new ATOM 0 HG21 VAL B 15 7.464 1.063 4.723 1.00 0.00 H new ATOM 0 HG22 VAL B 15 7.018 2.757 5.035 1.00 0.00 H new ATOM 0 HG23 VAL B 15 7.611 1.734 6.365 1.00 0.00 H new