USER MOD reduce.3.24.130724 H: found=0, std=0, add=483, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 484 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 35 ASN : amide:sc= 2.06 K(o=3.3,f=-1.6!) USER MOD Set 1.2: A 37 THR OG1 : rot -80:sc= 0.902 USER MOD Set 1.3: A 38 ASN : amide:sc= 0.337 K(o=3.3,f=-1.6) USER MOD Single : A 6 LYS NZ :NH3+ -178:sc= 1.27 (180deg=1.19) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 58:sc= -0.808 USER MOD Single : A 16 GLN : amide:sc= -0.568 X(o=-0.57,f=-0.62) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot -95:sc= 1.04 USER MOD Single : A 24 THR OG1 : rot 90:sc= 2.02 USER MOD Single : A 25 MET CE :methyl 175:sc= 0 (180deg=-0.0273) USER MOD Single : A 26 LYS NZ :NH3+ 168:sc= 1.26 (180deg=1.02) USER MOD Single : A 27 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00297) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0.0991 USER MOD Single : A 39 LYS NZ :NH3+ -173:sc= 1.16 (180deg=1.1) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= 1.16 K(o=1.2,f=-0.0063) USER MOD Single : A 50 GLN : amide:sc= -0.787 K(o=-0.79,f=-1.3) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 146:sc= 2.16 (180deg=1.66) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 5 -11.112 10.307 -7.564 1.00 0.00 N ATOM 2 CA GLY A 5 -12.302 9.460 -7.482 1.00 0.00 C ATOM 3 C GLY A 5 -12.253 8.594 -6.229 1.00 0.00 C ATOM 4 O GLY A 5 -13.107 8.683 -5.349 1.00 0.00 O ATOM 0 HA2 GLY A 5 -13.198 10.081 -7.468 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -12.367 8.827 -8.367 1.00 0.00 H new ATOM 8 N LYS A 6 -11.238 7.741 -6.123 1.00 0.00 N ATOM 9 CA LYS A 6 -10.825 7.096 -4.894 1.00 0.00 C ATOM 10 C LYS A 6 -9.550 7.831 -4.466 1.00 0.00 C ATOM 11 O LYS A 6 -9.351 8.996 -4.829 1.00 0.00 O ATOM 12 CB LYS A 6 -10.627 5.596 -5.179 1.00 0.00 C ATOM 13 CG LYS A 6 -11.956 4.945 -5.604 1.00 0.00 C ATOM 14 CD LYS A 6 -11.778 3.506 -6.107 1.00 0.00 C ATOM 15 CE LYS A 6 -11.026 3.471 -7.448 1.00 0.00 C ATOM 16 NZ LYS A 6 -11.510 2.407 -8.344 1.00 0.00 N ATOM 0 H LYS A 6 -10.664 7.475 -6.923 1.00 0.00 H new ATOM 0 HA LYS A 6 -11.551 7.149 -4.083 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -9.884 5.465 -5.965 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -10.241 5.099 -4.289 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -12.643 4.947 -4.758 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -12.415 5.546 -6.389 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -11.230 2.925 -5.365 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -12.754 3.036 -6.223 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -11.133 4.435 -7.945 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -9.962 3.326 -7.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -10.947 2.407 -9.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -11.416 1.485 -7.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -12.510 2.576 -8.576 1.00 0.00 H new ATOM 30 N GLU A 7 -8.670 7.161 -3.733 1.00 0.00 N ATOM 31 CA GLU A 7 -7.382 7.716 -3.364 1.00 0.00 C ATOM 32 C GLU A 7 -6.448 7.576 -4.568 1.00 0.00 C ATOM 33 O GLU A 7 -6.765 6.886 -5.537 1.00 0.00 O ATOM 34 CB GLU A 7 -6.842 6.963 -2.141 1.00 0.00 C ATOM 35 CG GLU A 7 -7.728 7.059 -0.885 1.00 0.00 C ATOM 36 CD GLU A 7 -7.513 8.344 -0.116 1.00 0.00 C ATOM 37 OE1 GLU A 7 -6.607 8.368 0.740 1.00 0.00 O ATOM 38 OE2 GLU A 7 -8.274 9.306 -0.347 1.00 0.00 O ATOM 0 H GLU A 7 -8.833 6.218 -3.380 1.00 0.00 H new ATOM 0 HA GLU A 7 -7.463 8.770 -3.097 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -6.719 5.912 -2.403 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -5.852 7.350 -1.901 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -8.775 6.986 -1.178 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -7.520 6.211 -0.233 1.00 0.00 H new ATOM 45 N LEU A 8 -5.285 8.210 -4.515 1.00 0.00 N ATOM 46 CA LEU A 8 -4.286 8.138 -5.570 1.00 0.00 C ATOM 47 C LEU A 8 -2.903 8.184 -4.942 1.00 0.00 C ATOM 48 O LEU A 8 -2.726 8.777 -3.875 1.00 0.00 O ATOM 49 CB LEU A 8 -4.499 9.220 -6.637 1.00 0.00 C ATOM 50 CG LEU A 8 -4.249 10.676 -6.200 1.00 0.00 C ATOM 51 CD1 LEU A 8 -4.379 11.577 -7.431 1.00 0.00 C ATOM 52 CD2 LEU A 8 -5.231 11.159 -5.128 1.00 0.00 C ATOM 0 H LEU A 8 -5.006 8.796 -3.728 1.00 0.00 H new ATOM 0 HA LEU A 8 -4.388 7.193 -6.104 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -3.845 9.000 -7.481 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -5.524 9.144 -7.000 1.00 0.00 H new ATOM 0 HG LEU A 8 -3.251 10.722 -5.764 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -4.205 12.614 -7.143 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -3.643 11.280 -8.179 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -5.381 11.479 -7.849 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -5.002 12.191 -4.863 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -6.249 11.101 -5.514 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -5.142 10.529 -4.243 1.00 0.00 H new ATOM 64 N VAL A 9 -1.946 7.492 -5.562 1.00 0.00 N ATOM 65 CA VAL A 9 -0.598 7.365 -5.034 1.00 0.00 C ATOM 66 C VAL A 9 0.403 7.513 -6.171 1.00 0.00 C ATOM 67 O VAL A 9 0.177 6.979 -7.257 1.00 0.00 O ATOM 68 CB VAL A 9 -0.416 6.034 -4.278 1.00 0.00 C ATOM 69 CG1 VAL A 9 -1.505 5.795 -3.230 1.00 0.00 C ATOM 70 CG2 VAL A 9 -0.413 4.807 -5.201 1.00 0.00 C ATOM 0 H VAL A 9 -2.090 7.005 -6.446 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.420 8.159 -4.309 1.00 0.00 H new ATOM 0 HB VAL A 9 0.558 6.142 -3.800 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.326 4.843 -2.730 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.486 6.600 -2.496 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -2.480 5.771 -3.717 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.281 3.904 -4.605 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.360 4.753 -5.737 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.405 4.892 -5.917 1.00 0.00 H new ATOM 80 N LEU A 10 1.497 8.228 -5.925 1.00 0.00 N ATOM 81 CA LEU A 10 2.619 8.314 -6.842 1.00 0.00 C ATOM 82 C LEU A 10 3.555 7.145 -6.534 1.00 0.00 C ATOM 83 O LEU A 10 3.840 6.869 -5.368 1.00 0.00 O ATOM 84 CB LEU A 10 3.323 9.663 -6.660 1.00 0.00 C ATOM 85 CG LEU A 10 4.507 9.885 -7.615 1.00 0.00 C ATOM 86 CD1 LEU A 10 4.071 9.999 -9.079 1.00 0.00 C ATOM 87 CD2 LEU A 10 5.211 11.180 -7.220 1.00 0.00 C ATOM 0 H LEU A 10 1.627 8.770 -5.070 1.00 0.00 H new ATOM 0 HA LEU A 10 2.293 8.252 -7.880 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.597 10.463 -6.806 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.679 9.740 -5.633 1.00 0.00 H new ATOM 0 HG LEU A 10 5.166 9.021 -7.531 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.947 10.155 -9.708 1.00 0.00 H new ATOM 0 HD12 LEU A 10 3.566 9.081 -9.381 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.389 10.842 -9.191 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.055 11.354 -7.888 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.511 12.012 -7.296 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.571 11.100 -6.194 1.00 0.00 H new ATOM 99 N ALA A 11 4.046 6.469 -7.569 1.00 0.00 N ATOM 100 CA ALA A 11 4.969 5.354 -7.443 1.00 0.00 C ATOM 101 C ALA A 11 6.376 5.896 -7.222 1.00 0.00 C ATOM 102 O ALA A 11 6.909 6.625 -8.053 1.00 0.00 O ATOM 103 CB ALA A 11 4.940 4.521 -8.720 1.00 0.00 C ATOM 0 H ALA A 11 3.806 6.688 -8.536 1.00 0.00 H new ATOM 0 HA ALA A 11 4.678 4.729 -6.599 1.00 0.00 H new ATOM 0 HB1 ALA A 11 5.633 3.685 -8.625 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.932 4.140 -8.883 1.00 0.00 H new ATOM 0 HB3 ALA A 11 5.235 5.142 -9.566 1.00 0.00 H new ATOM 109 N LEU A 12 6.986 5.513 -6.102 1.00 0.00 N ATOM 110 CA LEU A 12 8.313 5.961 -5.732 1.00 0.00 C ATOM 111 C LEU A 12 9.366 5.162 -6.487 1.00 0.00 C ATOM 112 O LEU A 12 10.389 5.734 -6.862 1.00 0.00 O ATOM 113 CB LEU A 12 8.527 5.796 -4.223 1.00 0.00 C ATOM 114 CG LEU A 12 7.589 6.658 -3.364 1.00 0.00 C ATOM 115 CD1 LEU A 12 7.727 6.249 -1.896 1.00 0.00 C ATOM 116 CD2 LEU A 12 7.940 8.142 -3.502 1.00 0.00 C ATOM 0 H LEU A 12 6.564 4.878 -5.425 1.00 0.00 H new ATOM 0 HA LEU A 12 8.408 7.015 -5.993 1.00 0.00 H new ATOM 0 HB2 LEU A 12 8.386 4.748 -3.958 1.00 0.00 H new ATOM 0 HB3 LEU A 12 9.560 6.049 -3.982 1.00 0.00 H new ATOM 0 HG LEU A 12 6.566 6.503 -3.705 1.00 0.00 H new ATOM 0 HD11 LEU A 12 7.062 6.859 -1.284 1.00 0.00 H new ATOM 0 HD12 LEU A 12 7.460 5.198 -1.784 1.00 0.00 H new ATOM 0 HD13 LEU A 12 8.757 6.398 -1.572 1.00 0.00 H new ATOM 0 HD21 LEU A 12 7.264 8.735 -2.886 1.00 0.00 H new ATOM 0 HD22 LEU A 12 8.967 8.305 -3.174 1.00 0.00 H new ATOM 0 HD23 LEU A 12 7.840 8.444 -4.544 1.00 0.00 H new ATOM 128 N TYR A 13 9.137 3.859 -6.678 1.00 0.00 N ATOM 129 CA TYR A 13 10.060 2.942 -7.333 1.00 0.00 C ATOM 130 C TYR A 13 9.297 2.089 -8.340 1.00 0.00 C ATOM 131 O TYR A 13 8.074 1.991 -8.268 1.00 0.00 O ATOM 132 CB TYR A 13 10.743 2.036 -6.304 1.00 0.00 C ATOM 133 CG TYR A 13 11.479 2.793 -5.221 1.00 0.00 C ATOM 134 CD1 TYR A 13 12.769 3.288 -5.460 1.00 0.00 C ATOM 135 CD2 TYR A 13 10.811 3.118 -4.027 1.00 0.00 C ATOM 136 CE1 TYR A 13 13.396 4.107 -4.502 1.00 0.00 C ATOM 137 CE2 TYR A 13 11.409 3.990 -3.105 1.00 0.00 C ATOM 138 CZ TYR A 13 12.698 4.497 -3.352 1.00 0.00 C ATOM 139 OH TYR A 13 13.280 5.370 -2.483 1.00 0.00 O ATOM 0 H TYR A 13 8.277 3.405 -6.370 1.00 0.00 H new ATOM 0 HA TYR A 13 10.826 3.523 -7.846 1.00 0.00 H new ATOM 0 HB2 TYR A 13 9.992 1.396 -5.841 1.00 0.00 H new ATOM 0 HB3 TYR A 13 11.446 1.381 -6.819 1.00 0.00 H new ATOM 0 HD1 TYR A 13 13.281 3.041 -6.378 1.00 0.00 H new ATOM 0 HD2 TYR A 13 9.838 2.697 -3.820 1.00 0.00 H new ATOM 0 HE1 TYR A 13 14.414 4.434 -4.654 1.00 0.00 H new ATOM 0 HE2 TYR A 13 10.880 4.272 -2.206 1.00 0.00 H new ATOM 0 HH TYR A 13 12.670 5.543 -1.736 1.00 0.00 H new ATOM 149 N ASP A 14 10.031 1.466 -9.257 1.00 0.00 N ATOM 150 CA ASP A 14 9.499 0.537 -10.243 1.00 0.00 C ATOM 151 C ASP A 14 9.240 -0.779 -9.522 1.00 0.00 C ATOM 152 O ASP A 14 10.202 -1.390 -9.053 1.00 0.00 O ATOM 153 CB ASP A 14 10.522 0.298 -11.364 1.00 0.00 C ATOM 154 CG ASP A 14 10.861 1.557 -12.108 1.00 0.00 C ATOM 155 OD1 ASP A 14 10.117 1.916 -13.037 1.00 0.00 O ATOM 156 OD2 ASP A 14 11.913 2.160 -11.802 1.00 0.00 O ATOM 0 H ASP A 14 11.039 1.598 -9.335 1.00 0.00 H new ATOM 0 HA ASP A 14 8.589 0.940 -10.688 1.00 0.00 H new ATOM 0 HB2 ASP A 14 11.432 -0.125 -10.938 1.00 0.00 H new ATOM 0 HB3 ASP A 14 10.125 -0.438 -12.063 1.00 0.00 H new ATOM 161 N TYR A 15 7.993 -1.209 -9.404 1.00 0.00 N ATOM 162 CA TYR A 15 7.658 -2.452 -8.736 1.00 0.00 C ATOM 163 C TYR A 15 7.216 -3.485 -9.759 1.00 0.00 C ATOM 164 O TYR A 15 6.305 -3.211 -10.536 1.00 0.00 O ATOM 165 CB TYR A 15 6.563 -2.215 -7.702 1.00 0.00 C ATOM 166 CG TYR A 15 6.119 -3.490 -7.031 1.00 0.00 C ATOM 167 CD1 TYR A 15 7.048 -4.251 -6.299 1.00 0.00 C ATOM 168 CD2 TYR A 15 4.865 -4.040 -7.355 1.00 0.00 C ATOM 169 CE1 TYR A 15 6.714 -5.543 -5.866 1.00 0.00 C ATOM 170 CE2 TYR A 15 4.550 -5.346 -6.951 1.00 0.00 C ATOM 171 CZ TYR A 15 5.481 -6.100 -6.222 1.00 0.00 C ATOM 172 OH TYR A 15 5.183 -7.380 -5.867 1.00 0.00 O ATOM 0 H TYR A 15 7.186 -0.704 -9.770 1.00 0.00 H new ATOM 0 HA TYR A 15 8.540 -2.829 -8.219 1.00 0.00 H new ATOM 0 HB2 TYR A 15 6.925 -1.518 -6.947 1.00 0.00 H new ATOM 0 HB3 TYR A 15 5.707 -1.745 -8.185 1.00 0.00 H new ATOM 0 HD1 TYR A 15 8.020 -3.840 -6.070 1.00 0.00 H new ATOM 0 HD2 TYR A 15 4.147 -3.458 -7.913 1.00 0.00 H new ATOM 0 HE1 TYR A 15 7.407 -6.106 -5.259 1.00 0.00 H new ATOM 0 HE2 TYR A 15 3.589 -5.771 -7.202 1.00 0.00 H new ATOM 0 HH TYR A 15 5.238 -7.471 -4.893 1.00 0.00 H new ATOM 182 N GLN A 16 7.841 -4.661 -9.778 1.00 0.00 N ATOM 183 CA GLN A 16 7.426 -5.777 -10.610 1.00 0.00 C ATOM 184 C GLN A 16 6.727 -6.799 -9.720 1.00 0.00 C ATOM 185 O GLN A 16 7.261 -7.152 -8.667 1.00 0.00 O ATOM 186 CB GLN A 16 8.626 -6.388 -11.339 1.00 0.00 C ATOM 187 CG GLN A 16 9.351 -5.397 -12.259 1.00 0.00 C ATOM 188 CD GLN A 16 10.303 -4.498 -11.484 1.00 0.00 C ATOM 189 OE1 GLN A 16 11.259 -4.979 -10.885 1.00 0.00 O ATOM 190 NE2 GLN A 16 10.040 -3.196 -11.450 1.00 0.00 N ATOM 0 H GLN A 16 8.661 -4.863 -9.206 1.00 0.00 H new ATOM 0 HA GLN A 16 6.734 -5.436 -11.380 1.00 0.00 H new ATOM 0 HB2 GLN A 16 9.332 -6.771 -10.602 1.00 0.00 H new ATOM 0 HB3 GLN A 16 8.288 -7.239 -11.930 1.00 0.00 H new ATOM 0 HG2 GLN A 16 9.907 -5.946 -13.018 1.00 0.00 H new ATOM 0 HG3 GLN A 16 8.617 -4.784 -12.783 1.00 0.00 H new ATOM 0 HE21 GLN A 16 9.238 -2.824 -11.958 1.00 0.00 H new ATOM 0 HE22 GLN A 16 10.641 -2.568 -10.916 1.00 0.00 H new ATOM 199 N GLU A 17 5.554 -7.278 -10.134 1.00 0.00 N ATOM 200 CA GLU A 17 4.752 -8.217 -9.357 1.00 0.00 C ATOM 201 C GLU A 17 5.568 -9.436 -8.938 1.00 0.00 C ATOM 202 O GLU A 17 6.453 -9.867 -9.684 1.00 0.00 O ATOM 203 CB GLU A 17 3.514 -8.628 -10.157 1.00 0.00 C ATOM 204 CG GLU A 17 3.846 -9.312 -11.486 1.00 0.00 C ATOM 205 CD GLU A 17 2.704 -9.168 -12.458 1.00 0.00 C ATOM 206 OE1 GLU A 17 2.508 -8.019 -12.897 1.00 0.00 O ATOM 207 OE2 GLU A 17 2.052 -10.182 -12.788 1.00 0.00 O ATOM 0 H GLU A 17 5.132 -7.022 -11.026 1.00 0.00 H new ATOM 0 HA GLU A 17 4.429 -7.720 -8.442 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.907 -9.302 -9.552 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.908 -7.744 -10.354 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.749 -8.874 -11.911 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.054 -10.368 -11.315 1.00 0.00 H new ATOM 214 N LYS A 18 5.264 -9.997 -7.770 1.00 0.00 N ATOM 215 CA LYS A 18 5.900 -11.202 -7.269 1.00 0.00 C ATOM 216 C LYS A 18 4.929 -12.391 -7.246 1.00 0.00 C ATOM 217 O LYS A 18 5.370 -13.542 -7.208 1.00 0.00 O ATOM 218 CB LYS A 18 6.531 -10.929 -5.894 1.00 0.00 C ATOM 219 CG LYS A 18 7.527 -9.755 -5.918 1.00 0.00 C ATOM 220 CD LYS A 18 8.767 -10.003 -6.780 1.00 0.00 C ATOM 221 CE LYS A 18 9.624 -8.726 -6.801 1.00 0.00 C ATOM 222 NZ LYS A 18 10.655 -8.747 -7.858 1.00 0.00 N ATOM 0 H LYS A 18 4.558 -9.618 -7.139 1.00 0.00 H new ATOM 0 HA LYS A 18 6.700 -11.485 -7.953 1.00 0.00 H new ATOM 0 HB2 LYS A 18 5.742 -10.716 -5.173 1.00 0.00 H new ATOM 0 HB3 LYS A 18 7.043 -11.827 -5.549 1.00 0.00 H new ATOM 0 HG2 LYS A 18 7.015 -8.866 -6.285 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.844 -9.541 -4.897 1.00 0.00 H new ATOM 0 HD2 LYS A 18 9.343 -10.837 -6.380 1.00 0.00 H new ATOM 0 HD3 LYS A 18 8.473 -10.276 -7.793 1.00 0.00 H new ATOM 0 HE2 LYS A 18 8.977 -7.862 -6.948 1.00 0.00 H new ATOM 0 HE3 LYS A 18 10.106 -8.601 -5.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 11.203 -7.863 -7.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 11.292 -9.555 -7.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 10.197 -8.838 -8.788 1.00 0.00 H new ATOM 236 N SER A 19 3.620 -12.129 -7.241 1.00 0.00 N ATOM 237 CA SER A 19 2.591 -13.156 -7.275 1.00 0.00 C ATOM 238 C SER A 19 1.424 -12.674 -8.138 1.00 0.00 C ATOM 239 O SER A 19 1.353 -11.476 -8.423 1.00 0.00 O ATOM 240 CB SER A 19 2.136 -13.452 -5.840 1.00 0.00 C ATOM 241 OG SER A 19 1.285 -12.427 -5.375 1.00 0.00 O ATOM 0 H SER A 19 3.245 -11.181 -7.213 1.00 0.00 H new ATOM 0 HA SER A 19 2.981 -14.075 -7.712 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.616 -14.409 -5.806 1.00 0.00 H new ATOM 0 HB3 SER A 19 3.004 -13.538 -5.186 1.00 0.00 H new ATOM 0 HG SER A 19 1.808 -11.775 -4.863 1.00 0.00 H new ATOM 247 N PRO A 20 0.480 -13.558 -8.496 1.00 0.00 N ATOM 248 CA PRO A 20 -0.745 -13.183 -9.182 1.00 0.00 C ATOM 249 C PRO A 20 -1.512 -12.039 -8.510 1.00 0.00 C ATOM 250 O PRO A 20 -2.161 -11.259 -9.210 1.00 0.00 O ATOM 251 CB PRO A 20 -1.589 -14.458 -9.237 1.00 0.00 C ATOM 252 CG PRO A 20 -0.534 -15.559 -9.265 1.00 0.00 C ATOM 253 CD PRO A 20 0.528 -15.007 -8.321 1.00 0.00 C ATOM 0 HA PRO A 20 -0.508 -12.793 -10.172 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -2.244 -14.547 -8.371 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -2.225 -14.484 -10.122 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -0.931 -16.513 -8.919 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -0.142 -15.723 -10.269 1.00 0.00 H new ATOM 0 HD2 PRO A 20 0.320 -15.286 -7.288 1.00 0.00 H new ATOM 0 HD3 PRO A 20 1.515 -15.401 -8.565 1.00 0.00 H new ATOM 261 N ARG A 21 -1.489 -11.932 -7.181 1.00 0.00 N ATOM 262 CA ARG A 21 -2.270 -10.904 -6.496 1.00 0.00 C ATOM 263 C ARG A 21 -1.549 -9.553 -6.573 1.00 0.00 C ATOM 264 O ARG A 21 -2.205 -8.510 -6.603 1.00 0.00 O ATOM 265 CB ARG A 21 -2.635 -11.320 -5.061 1.00 0.00 C ATOM 266 CG ARG A 21 -1.457 -11.770 -4.187 1.00 0.00 C ATOM 267 CD ARG A 21 -1.889 -12.043 -2.737 1.00 0.00 C ATOM 268 NE ARG A 21 -2.328 -10.821 -2.036 1.00 0.00 N ATOM 269 CZ ARG A 21 -1.532 -9.909 -1.459 1.00 0.00 C ATOM 270 NH1 ARG A 21 -0.230 -10.135 -1.315 1.00 0.00 N ATOM 271 NH2 ARG A 21 -2.037 -8.756 -1.017 1.00 0.00 N ATOM 0 H ARG A 21 -0.945 -12.536 -6.565 1.00 0.00 H new ATOM 0 HA ARG A 21 -3.224 -10.789 -7.011 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -3.129 -10.480 -4.572 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -3.361 -12.132 -5.110 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -1.015 -12.672 -4.610 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -0.684 -11.002 -4.197 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -2.701 -12.770 -2.735 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -1.058 -12.491 -2.192 1.00 0.00 H new ATOM 0 HE ARG A 21 -3.333 -10.654 -1.985 1.00 0.00 H new ATOM 0 HH11 ARG A 21 0.175 -11.011 -1.645 1.00 0.00 H new ATOM 0 HH12 ARG A 21 0.364 -9.433 -0.874 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -3.034 -8.564 -1.117 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -1.426 -8.066 -0.579 1.00 0.00 H new ATOM 285 N GLU A 22 -0.226 -9.561 -6.681 1.00 0.00 N ATOM 286 CA GLU A 22 0.524 -8.342 -6.921 1.00 0.00 C ATOM 287 C GLU A 22 0.447 -7.981 -8.402 1.00 0.00 C ATOM 288 O GLU A 22 0.134 -8.827 -9.240 1.00 0.00 O ATOM 289 CB GLU A 22 1.985 -8.529 -6.492 1.00 0.00 C ATOM 290 CG GLU A 22 2.191 -8.211 -5.012 1.00 0.00 C ATOM 291 CD GLU A 22 1.591 -9.220 -4.080 1.00 0.00 C ATOM 292 OE1 GLU A 22 2.138 -10.344 -4.047 1.00 0.00 O ATOM 293 OE2 GLU A 22 0.619 -8.880 -3.377 1.00 0.00 O ATOM 0 H GLU A 22 0.347 -10.401 -6.606 1.00 0.00 H new ATOM 0 HA GLU A 22 0.093 -7.531 -6.334 1.00 0.00 H new ATOM 0 HB2 GLU A 22 2.292 -9.556 -6.688 1.00 0.00 H new ATOM 0 HB3 GLU A 22 2.625 -7.884 -7.094 1.00 0.00 H new ATOM 0 HG2 GLU A 22 3.260 -8.139 -4.812 1.00 0.00 H new ATOM 0 HG3 GLU A 22 1.760 -7.233 -4.798 1.00 0.00 H new ATOM 300 N VAL A 23 0.719 -6.721 -8.725 1.00 0.00 N ATOM 301 CA VAL A 23 0.683 -6.186 -10.076 1.00 0.00 C ATOM 302 C VAL A 23 1.852 -5.222 -10.260 1.00 0.00 C ATOM 303 O VAL A 23 2.320 -4.631 -9.290 1.00 0.00 O ATOM 304 CB VAL A 23 -0.670 -5.521 -10.356 1.00 0.00 C ATOM 305 CG1 VAL A 23 -1.750 -6.590 -10.541 1.00 0.00 C ATOM 306 CG2 VAL A 23 -1.067 -4.524 -9.261 1.00 0.00 C ATOM 0 H VAL A 23 0.979 -6.023 -8.028 1.00 0.00 H new ATOM 0 HA VAL A 23 0.789 -6.993 -10.801 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.572 -4.948 -11.278 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -2.708 -6.109 -10.739 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -1.486 -7.233 -11.381 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -1.827 -7.191 -9.635 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.032 -4.080 -9.506 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.138 -5.043 -8.305 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.314 -3.739 -9.193 1.00 0.00 H new ATOM 316 N THR A 24 2.365 -5.135 -11.485 1.00 0.00 N ATOM 317 CA THR A 24 3.536 -4.345 -11.808 1.00 0.00 C ATOM 318 C THR A 24 3.130 -2.883 -12.022 1.00 0.00 C ATOM 319 O THR A 24 2.050 -2.621 -12.559 1.00 0.00 O ATOM 320 CB THR A 24 4.171 -4.989 -13.048 1.00 0.00 C ATOM 321 OG1 THR A 24 4.604 -6.295 -12.693 1.00 0.00 O ATOM 322 CG2 THR A 24 5.343 -4.199 -13.631 1.00 0.00 C ATOM 0 H THR A 24 1.968 -5.621 -12.289 1.00 0.00 H new ATOM 0 HA THR A 24 4.270 -4.333 -11.002 1.00 0.00 H new ATOM 0 HB THR A 24 3.411 -5.009 -13.829 1.00 0.00 H new ATOM 0 HG1 THR A 24 3.880 -6.935 -12.855 1.00 0.00 H new ATOM 0 HG21 THR A 24 5.735 -4.721 -14.504 1.00 0.00 H new ATOM 0 HG22 THR A 24 5.002 -3.206 -13.925 1.00 0.00 H new ATOM 0 HG23 THR A 24 6.128 -4.106 -12.881 1.00 0.00 H new ATOM 330 N MET A 25 3.988 -1.941 -11.626 1.00 0.00 N ATOM 331 CA MET A 25 3.837 -0.512 -11.867 1.00 0.00 C ATOM 332 C MET A 25 5.229 0.108 -12.008 1.00 0.00 C ATOM 333 O MET A 25 6.211 -0.491 -11.568 1.00 0.00 O ATOM 334 CB MET A 25 2.998 0.136 -10.756 1.00 0.00 C ATOM 335 CG MET A 25 3.564 -0.008 -9.336 1.00 0.00 C ATOM 336 SD MET A 25 4.995 1.038 -8.946 1.00 0.00 S ATOM 337 CE MET A 25 4.948 1.014 -7.143 1.00 0.00 C ATOM 0 H MET A 25 4.838 -2.165 -11.109 1.00 0.00 H new ATOM 0 HA MET A 25 3.293 -0.333 -12.795 1.00 0.00 H new ATOM 0 HB2 MET A 25 2.888 1.197 -10.979 1.00 0.00 H new ATOM 0 HB3 MET A 25 1.999 -0.300 -10.777 1.00 0.00 H new ATOM 0 HG2 MET A 25 2.769 0.216 -8.624 1.00 0.00 H new ATOM 0 HG3 MET A 25 3.846 -1.049 -9.182 1.00 0.00 H new ATOM 0 HE1 MET A 25 5.818 1.540 -6.749 1.00 0.00 H new ATOM 0 HE2 MET A 25 4.039 1.506 -6.796 1.00 0.00 H new ATOM 0 HE3 MET A 25 4.959 -0.018 -6.792 1.00 0.00 H new ATOM 347 N LYS A 26 5.333 1.262 -12.659 1.00 0.00 N ATOM 348 CA LYS A 26 6.605 1.911 -12.934 1.00 0.00 C ATOM 349 C LYS A 26 6.795 3.126 -12.029 1.00 0.00 C ATOM 350 O LYS A 26 5.826 3.755 -11.606 1.00 0.00 O ATOM 351 CB LYS A 26 6.665 2.311 -14.415 1.00 0.00 C ATOM 352 CG LYS A 26 6.727 1.090 -15.350 1.00 0.00 C ATOM 353 CD LYS A 26 8.093 0.391 -15.312 1.00 0.00 C ATOM 354 CE LYS A 26 9.162 1.206 -16.055 1.00 0.00 C ATOM 355 NZ LYS A 26 10.505 0.957 -15.515 1.00 0.00 N ATOM 0 H LYS A 26 4.527 1.776 -13.013 1.00 0.00 H new ATOM 0 HA LYS A 26 7.417 1.214 -12.725 1.00 0.00 H new ATOM 0 HB2 LYS A 26 5.789 2.911 -14.662 1.00 0.00 H new ATOM 0 HB3 LYS A 26 7.540 2.939 -14.584 1.00 0.00 H new ATOM 0 HG2 LYS A 26 5.951 0.379 -15.067 1.00 0.00 H new ATOM 0 HG3 LYS A 26 6.512 1.406 -16.371 1.00 0.00 H new ATOM 0 HD2 LYS A 26 8.400 0.245 -14.276 1.00 0.00 H new ATOM 0 HD3 LYS A 26 8.010 -0.598 -15.762 1.00 0.00 H new ATOM 0 HE2 LYS A 26 9.143 0.952 -17.115 1.00 0.00 H new ATOM 0 HE3 LYS A 26 8.929 2.268 -15.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 11.218 1.357 -16.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 10.592 1.405 -14.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 10.658 -0.068 -15.423 1.00 0.00 H new ATOM 369 N LYS A 27 8.049 3.469 -11.741 1.00 0.00 N ATOM 370 CA LYS A 27 8.359 4.668 -10.985 1.00 0.00 C ATOM 371 C LYS A 27 7.703 5.857 -11.682 1.00 0.00 C ATOM 372 O LYS A 27 7.792 5.976 -12.904 1.00 0.00 O ATOM 373 CB LYS A 27 9.884 4.830 -10.888 1.00 0.00 C ATOM 374 CG LYS A 27 10.246 6.169 -10.238 1.00 0.00 C ATOM 375 CD LYS A 27 11.736 6.228 -9.890 1.00 0.00 C ATOM 376 CE LYS A 27 12.085 7.527 -9.153 1.00 0.00 C ATOM 377 NZ LYS A 27 11.921 8.746 -9.977 1.00 0.00 N ATOM 0 H LYS A 27 8.866 2.927 -12.024 1.00 0.00 H new ATOM 0 HA LYS A 27 7.971 4.603 -9.968 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.305 4.011 -10.305 1.00 0.00 H new ATOM 0 HB3 LYS A 27 10.325 4.772 -11.883 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.995 6.985 -10.915 1.00 0.00 H new ATOM 0 HG3 LYS A 27 9.653 6.311 -9.335 1.00 0.00 H new ATOM 0 HD2 LYS A 27 12.001 5.372 -9.269 1.00 0.00 H new ATOM 0 HD3 LYS A 27 12.328 6.155 -10.802 1.00 0.00 H new ATOM 0 HE2 LYS A 27 11.455 7.611 -8.267 1.00 0.00 H new ATOM 0 HE3 LYS A 27 13.117 7.471 -8.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 12.191 9.581 -9.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 12.529 8.681 -10.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 10.928 8.834 -10.273 1.00 0.00 H new ATOM 391 N GLY A 28 7.052 6.735 -10.922 1.00 0.00 N ATOM 392 CA GLY A 28 6.398 7.916 -11.460 1.00 0.00 C ATOM 393 C GLY A 28 4.942 7.661 -11.845 1.00 0.00 C ATOM 394 O GLY A 28 4.218 8.621 -12.098 1.00 0.00 O ATOM 0 H GLY A 28 6.965 6.642 -9.910 1.00 0.00 H new ATOM 0 HA2 GLY A 28 6.439 8.717 -10.722 1.00 0.00 H new ATOM 0 HA3 GLY A 28 6.946 8.262 -12.337 1.00 0.00 H new ATOM 398 N ASP A 29 4.486 6.403 -11.894 1.00 0.00 N ATOM 399 CA ASP A 29 3.083 6.120 -12.186 1.00 0.00 C ATOM 400 C ASP A 29 2.207 6.729 -11.097 1.00 0.00 C ATOM 401 O ASP A 29 2.621 6.813 -9.940 1.00 0.00 O ATOM 402 CB ASP A 29 2.816 4.611 -12.304 1.00 0.00 C ATOM 403 CG ASP A 29 3.368 3.992 -13.566 1.00 0.00 C ATOM 404 OD1 ASP A 29 3.905 4.748 -14.405 1.00 0.00 O ATOM 405 OD2 ASP A 29 3.201 2.766 -13.747 1.00 0.00 O ATOM 0 H ASP A 29 5.063 5.577 -11.737 1.00 0.00 H new ATOM 0 HA ASP A 29 2.839 6.567 -13.150 1.00 0.00 H new ATOM 0 HB2 ASP A 29 3.251 4.106 -11.442 1.00 0.00 H new ATOM 0 HB3 ASP A 29 1.741 4.438 -12.265 1.00 0.00 H new ATOM 410 N ILE A 30 1.010 7.167 -11.470 1.00 0.00 N ATOM 411 CA ILE A 30 -0.001 7.682 -10.557 1.00 0.00 C ATOM 412 C ILE A 30 -1.113 6.637 -10.485 1.00 0.00 C ATOM 413 O ILE A 30 -1.950 6.555 -11.384 1.00 0.00 O ATOM 414 CB ILE A 30 -0.476 9.087 -10.991 1.00 0.00 C ATOM 415 CG1 ILE A 30 -0.698 9.222 -12.515 1.00 0.00 C ATOM 416 CG2 ILE A 30 0.562 10.121 -10.525 1.00 0.00 C ATOM 417 CD1 ILE A 30 -1.436 10.512 -12.897 1.00 0.00 C ATOM 0 H ILE A 30 0.708 7.173 -12.444 1.00 0.00 H new ATOM 0 HA ILE A 30 0.397 7.832 -9.553 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.447 9.260 -10.526 1.00 0.00 H new ATOM 0 HG12 ILE A 30 0.267 9.197 -13.022 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.267 8.364 -12.872 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.241 11.119 -10.824 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.655 10.080 -9.440 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.527 9.899 -10.980 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.563 10.552 -13.979 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.414 10.528 -12.416 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.856 11.374 -12.568 1.00 0.00 H new ATOM 429 N LEU A 31 -1.065 5.753 -9.484 1.00 0.00 N ATOM 430 CA LEU A 31 -2.008 4.647 -9.380 1.00 0.00 C ATOM 431 C LEU A 31 -3.259 5.117 -8.645 1.00 0.00 C ATOM 432 O LEU A 31 -3.210 6.086 -7.887 1.00 0.00 O ATOM 433 CB LEU A 31 -1.404 3.439 -8.651 1.00 0.00 C ATOM 434 CG LEU A 31 -0.126 2.831 -9.250 1.00 0.00 C ATOM 435 CD1 LEU A 31 -0.224 2.679 -10.770 1.00 0.00 C ATOM 436 CD2 LEU A 31 1.142 3.596 -8.856 1.00 0.00 C ATOM 0 H LEU A 31 -0.377 5.787 -8.732 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.260 4.327 -10.391 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.189 3.735 -7.624 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.162 2.657 -8.605 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.041 1.835 -8.816 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.700 2.246 -11.153 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.061 2.026 -11.017 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.381 3.657 -11.224 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.011 3.119 -9.309 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.070 4.626 -9.207 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.249 3.589 -7.771 1.00 0.00 H new ATOM 448 N THR A 32 -4.373 4.421 -8.881 1.00 0.00 N ATOM 449 CA THR A 32 -5.681 4.782 -8.366 1.00 0.00 C ATOM 450 C THR A 32 -5.949 3.839 -7.194 1.00 0.00 C ATOM 451 O THR A 32 -6.268 2.667 -7.395 1.00 0.00 O ATOM 452 CB THR A 32 -6.716 4.647 -9.497 1.00 0.00 C ATOM 453 OG1 THR A 32 -6.159 5.061 -10.736 1.00 0.00 O ATOM 454 CG2 THR A 32 -7.956 5.490 -9.199 1.00 0.00 C ATOM 0 H THR A 32 -4.383 3.574 -9.449 1.00 0.00 H new ATOM 0 HA THR A 32 -5.739 5.813 -8.017 1.00 0.00 H new ATOM 0 HB THR A 32 -7.002 3.597 -9.562 1.00 0.00 H new ATOM 0 HG1 THR A 32 -6.830 4.967 -11.444 1.00 0.00 H new ATOM 0 HG21 THR A 32 -8.675 5.380 -10.011 1.00 0.00 H new ATOM 0 HG22 THR A 32 -8.409 5.154 -8.266 1.00 0.00 H new ATOM 0 HG23 THR A 32 -7.670 6.538 -9.107 1.00 0.00 H new ATOM 462 N LEU A 33 -5.682 4.285 -5.978 1.00 0.00 N ATOM 463 CA LEU A 33 -5.595 3.402 -4.825 1.00 0.00 C ATOM 464 C LEU A 33 -7.019 3.080 -4.373 1.00 0.00 C ATOM 465 O LEU A 33 -7.851 3.975 -4.238 1.00 0.00 O ATOM 466 CB LEU A 33 -4.768 4.116 -3.745 1.00 0.00 C ATOM 467 CG LEU A 33 -4.967 3.656 -2.295 1.00 0.00 C ATOM 468 CD1 LEU A 33 -4.448 2.243 -2.082 1.00 0.00 C ATOM 469 CD2 LEU A 33 -4.183 4.574 -1.354 1.00 0.00 C ATOM 0 H LEU A 33 -5.519 5.268 -5.761 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.098 2.458 -5.051 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.713 4.000 -3.995 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.993 5.181 -3.796 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.037 3.688 -2.088 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.605 1.950 -1.044 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.983 1.556 -2.738 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.383 2.208 -2.311 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.325 4.246 -0.324 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.123 4.533 -1.605 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.542 5.598 -1.462 1.00 0.00 H new ATOM 481 N LEU A 34 -7.320 1.792 -4.208 1.00 0.00 N ATOM 482 CA LEU A 34 -8.636 1.307 -3.838 1.00 0.00 C ATOM 483 C LEU A 34 -8.705 1.167 -2.323 1.00 0.00 C ATOM 484 O LEU A 34 -9.608 1.720 -1.696 1.00 0.00 O ATOM 485 CB LEU A 34 -8.924 -0.023 -4.567 1.00 0.00 C ATOM 486 CG LEU A 34 -10.210 -0.734 -4.109 1.00 0.00 C ATOM 487 CD1 LEU A 34 -11.454 0.138 -4.280 1.00 0.00 C ATOM 488 CD2 LEU A 34 -10.386 -2.015 -4.930 1.00 0.00 C ATOM 0 H LEU A 34 -6.636 1.046 -4.332 1.00 0.00 H new ATOM 0 HA LEU A 34 -9.407 2.014 -4.143 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -8.992 0.171 -5.637 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -8.079 -0.695 -4.418 1.00 0.00 H new ATOM 0 HG LEU A 34 -10.105 -0.954 -3.047 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -12.333 -0.411 -3.942 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -11.345 1.047 -3.689 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -11.572 0.401 -5.331 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -11.295 -2.528 -4.614 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -10.461 -1.762 -5.988 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -9.528 -2.668 -4.773 1.00 0.00 H new ATOM 500 N ASN A 35 -7.780 0.389 -1.752 1.00 0.00 N ATOM 501 CA ASN A 35 -7.801 0.007 -0.344 1.00 0.00 C ATOM 502 C ASN A 35 -6.449 0.263 0.312 1.00 0.00 C ATOM 503 O ASN A 35 -5.453 -0.337 -0.094 1.00 0.00 O ATOM 504 CB ASN A 35 -8.135 -1.478 -0.189 1.00 0.00 C ATOM 505 CG ASN A 35 -7.937 -1.884 1.266 1.00 0.00 C ATOM 506 OD1 ASN A 35 -8.246 -1.122 2.172 1.00 0.00 O ATOM 507 ND2 ASN A 35 -7.362 -3.053 1.522 1.00 0.00 N ATOM 0 H ASN A 35 -6.987 0.004 -2.265 1.00 0.00 H new ATOM 0 HA ASN A 35 -8.566 0.613 0.141 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -9.164 -1.666 -0.495 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -7.495 -2.077 -0.837 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -7.172 -3.328 2.486 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -7.111 -3.677 0.755 1.00 0.00 H new ATOM 514 N SER A 36 -6.431 1.116 1.338 1.00 0.00 N ATOM 515 CA SER A 36 -5.264 1.452 2.133 1.00 0.00 C ATOM 516 C SER A 36 -5.093 0.558 3.372 1.00 0.00 C ATOM 517 O SER A 36 -4.015 0.546 3.958 1.00 0.00 O ATOM 518 CB SER A 36 -5.388 2.921 2.553 1.00 0.00 C ATOM 519 OG SER A 36 -6.737 3.261 2.864 1.00 0.00 O ATOM 0 H SER A 36 -7.269 1.609 1.645 1.00 0.00 H new ATOM 0 HA SER A 36 -4.377 1.285 1.523 1.00 0.00 H new ATOM 0 HB2 SER A 36 -4.755 3.108 3.420 1.00 0.00 H new ATOM 0 HB3 SER A 36 -5.025 3.562 1.750 1.00 0.00 H new ATOM 0 HG SER A 36 -6.784 4.203 3.130 1.00 0.00 H new ATOM 525 N THR A 37 -6.139 -0.139 3.822 1.00 0.00 N ATOM 526 CA THR A 37 -6.146 -0.703 5.175 1.00 0.00 C ATOM 527 C THR A 37 -4.965 -1.636 5.434 1.00 0.00 C ATOM 528 O THR A 37 -4.377 -1.650 6.516 1.00 0.00 O ATOM 529 CB THR A 37 -7.470 -1.436 5.444 1.00 0.00 C ATOM 530 OG1 THR A 37 -7.696 -2.462 4.495 1.00 0.00 O ATOM 531 CG2 THR A 37 -8.673 -0.492 5.415 1.00 0.00 C ATOM 0 H THR A 37 -6.982 -0.325 3.278 1.00 0.00 H new ATOM 0 HA THR A 37 -6.047 0.135 5.865 1.00 0.00 H new ATOM 0 HB THR A 37 -7.372 -1.863 6.442 1.00 0.00 H new ATOM 0 HG1 THR A 37 -8.042 -2.070 3.666 1.00 0.00 H new ATOM 0 HG21 THR A 37 -9.584 -1.058 5.610 1.00 0.00 H new ATOM 0 HG22 THR A 37 -8.552 0.276 6.179 1.00 0.00 H new ATOM 0 HG23 THR A 37 -8.742 -0.021 4.435 1.00 0.00 H new ATOM 539 N ASN A 38 -4.648 -2.465 4.447 1.00 0.00 N ATOM 540 CA ASN A 38 -3.656 -3.520 4.573 1.00 0.00 C ATOM 541 C ASN A 38 -2.284 -2.890 4.434 1.00 0.00 C ATOM 542 O ASN A 38 -1.758 -2.784 3.331 1.00 0.00 O ATOM 543 CB ASN A 38 -3.914 -4.603 3.528 1.00 0.00 C ATOM 544 CG ASN A 38 -5.220 -5.310 3.830 1.00 0.00 C ATOM 545 OD1 ASN A 38 -6.267 -4.939 3.303 1.00 0.00 O ATOM 546 ND2 ASN A 38 -5.205 -6.308 4.697 1.00 0.00 N ATOM 0 H ASN A 38 -5.080 -2.421 3.524 1.00 0.00 H new ATOM 0 HA ASN A 38 -3.716 -4.007 5.546 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -3.952 -4.159 2.533 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -3.094 -5.321 3.525 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -6.073 -6.786 4.940 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -4.326 -6.600 5.123 1.00 0.00 H new ATOM 553 N LYS A 39 -1.738 -2.436 5.564 1.00 0.00 N ATOM 554 CA LYS A 39 -0.493 -1.693 5.679 1.00 0.00 C ATOM 555 C LYS A 39 0.597 -2.177 4.717 1.00 0.00 C ATOM 556 O LYS A 39 1.355 -1.368 4.193 1.00 0.00 O ATOM 557 CB LYS A 39 -0.009 -1.718 7.139 1.00 0.00 C ATOM 558 CG LYS A 39 0.523 -3.093 7.578 1.00 0.00 C ATOM 559 CD LYS A 39 0.813 -3.143 9.085 1.00 0.00 C ATOM 560 CE LYS A 39 1.727 -4.328 9.429 1.00 0.00 C ATOM 561 NZ LYS A 39 1.224 -5.623 8.930 1.00 0.00 N ATOM 0 H LYS A 39 -2.181 -2.588 6.470 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.700 -0.665 5.384 1.00 0.00 H new ATOM 0 HB2 LYS A 39 0.777 -0.974 7.267 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -0.832 -1.428 7.793 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.206 -3.862 7.323 1.00 0.00 H new ATOM 0 HG3 LYS A 39 1.434 -3.322 7.026 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.284 -2.212 9.400 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -0.123 -3.229 9.637 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.717 -4.146 9.011 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.843 -4.385 10.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.822 -6.392 9.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 0.245 -5.763 9.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.251 -5.628 7.890 1.00 0.00 H new ATOM 575 N ASP A 40 0.726 -3.494 4.532 1.00 0.00 N ATOM 576 CA ASP A 40 1.847 -4.070 3.807 1.00 0.00 C ATOM 577 C ASP A 40 1.609 -3.938 2.305 1.00 0.00 C ATOM 578 O ASP A 40 2.530 -3.634 1.543 1.00 0.00 O ATOM 579 CB ASP A 40 2.018 -5.552 4.165 1.00 0.00 C ATOM 580 CG ASP A 40 2.205 -5.800 5.642 1.00 0.00 C ATOM 581 OD1 ASP A 40 3.306 -5.569 6.176 1.00 0.00 O ATOM 582 OD2 ASP A 40 1.241 -6.277 6.275 1.00 0.00 O ATOM 0 H ASP A 40 0.058 -4.181 4.880 1.00 0.00 H new ATOM 0 HA ASP A 40 2.753 -3.533 4.087 1.00 0.00 H new ATOM 0 HB2 ASP A 40 1.143 -6.103 3.821 1.00 0.00 H new ATOM 0 HB3 ASP A 40 2.878 -5.950 3.627 1.00 0.00 H new ATOM 587 N TRP A 41 0.392 -4.274 1.877 1.00 0.00 N ATOM 588 CA TRP A 41 -0.007 -4.381 0.482 1.00 0.00 C ATOM 589 C TRP A 41 -1.258 -3.537 0.265 1.00 0.00 C ATOM 590 O TRP A 41 -2.363 -3.974 0.593 1.00 0.00 O ATOM 591 CB TRP A 41 -0.302 -5.845 0.142 1.00 0.00 C ATOM 592 CG TRP A 41 0.860 -6.783 0.201 1.00 0.00 C ATOM 593 CD1 TRP A 41 1.095 -7.670 1.186 1.00 0.00 C ATOM 594 CD2 TRP A 41 1.957 -6.940 -0.749 1.00 0.00 C ATOM 595 NE1 TRP A 41 2.234 -8.392 0.900 1.00 0.00 N ATOM 596 CE2 TRP A 41 2.814 -7.980 -0.279 1.00 0.00 C ATOM 597 CE3 TRP A 41 2.329 -6.296 -1.947 1.00 0.00 C ATOM 598 CZ2 TRP A 41 3.971 -8.374 -0.969 1.00 0.00 C ATOM 599 CZ3 TRP A 41 3.499 -6.668 -2.632 1.00 0.00 C ATOM 600 CH2 TRP A 41 4.306 -7.711 -2.161 1.00 0.00 C ATOM 0 H TRP A 41 -0.369 -4.487 2.521 1.00 0.00 H new ATOM 0 HA TRP A 41 0.795 -4.024 -0.164 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -1.070 -6.207 0.825 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -0.724 -5.885 -0.862 1.00 0.00 H new ATOM 0 HD1 TRP A 41 0.484 -7.797 2.067 1.00 0.00 H new ATOM 0 HE1 TRP A 41 2.602 -9.139 1.489 1.00 0.00 H new ATOM 0 HE3 TRP A 41 1.707 -5.507 -2.343 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 4.592 -9.172 -0.590 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 3.779 -6.143 -3.533 1.00 0.00 H new ATOM 0 HH2 TRP A 41 5.186 -8.005 -2.714 1.00 0.00 H new ATOM 611 N TRP A 42 -1.112 -2.349 -0.303 1.00 0.00 N ATOM 612 CA TRP A 42 -2.262 -1.546 -0.673 1.00 0.00 C ATOM 613 C TRP A 42 -2.803 -2.091 -1.994 1.00 0.00 C ATOM 614 O TRP A 42 -2.017 -2.480 -2.859 1.00 0.00 O ATOM 615 CB TRP A 42 -1.839 -0.080 -0.806 1.00 0.00 C ATOM 616 CG TRP A 42 -1.550 0.668 0.461 1.00 0.00 C ATOM 617 CD1 TRP A 42 -1.740 0.215 1.720 1.00 0.00 C ATOM 618 CD2 TRP A 42 -1.056 2.032 0.608 1.00 0.00 C ATOM 619 NE1 TRP A 42 -1.429 1.207 2.627 1.00 0.00 N ATOM 620 CE2 TRP A 42 -0.985 2.346 1.997 1.00 0.00 C ATOM 621 CE3 TRP A 42 -0.673 3.040 -0.300 1.00 0.00 C ATOM 622 CZ2 TRP A 42 -0.550 3.595 2.458 1.00 0.00 C ATOM 623 CZ3 TRP A 42 -0.197 4.285 0.154 1.00 0.00 C ATOM 624 CH2 TRP A 42 -0.142 4.567 1.530 1.00 0.00 C ATOM 0 H TRP A 42 -0.210 -1.923 -0.516 1.00 0.00 H new ATOM 0 HA TRP A 42 -3.042 -1.597 0.087 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -0.947 -0.041 -1.432 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -2.627 0.452 -1.340 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -2.084 -0.776 1.978 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -1.517 1.108 3.638 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -0.746 2.854 -1.361 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -0.529 3.808 3.516 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 0.128 5.028 -0.559 1.00 0.00 H new ATOM 0 HH2 TRP A 42 0.213 5.528 1.872 1.00 0.00 H new ATOM 635 N LYS A 43 -4.127 -2.173 -2.138 1.00 0.00 N ATOM 636 CA LYS A 43 -4.745 -2.639 -3.369 1.00 0.00 C ATOM 637 C LYS A 43 -5.116 -1.418 -4.198 1.00 0.00 C ATOM 638 O LYS A 43 -5.780 -0.518 -3.674 1.00 0.00 O ATOM 639 CB LYS A 43 -5.962 -3.532 -3.089 1.00 0.00 C ATOM 640 CG LYS A 43 -6.252 -4.418 -4.311 1.00 0.00 C ATOM 641 CD LYS A 43 -7.413 -5.376 -4.046 1.00 0.00 C ATOM 642 CE LYS A 43 -7.691 -6.222 -5.300 1.00 0.00 C ATOM 643 NZ LYS A 43 -8.833 -7.130 -5.105 1.00 0.00 N ATOM 0 H LYS A 43 -4.792 -1.919 -1.407 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.043 -3.260 -3.925 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.774 -4.154 -2.214 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.832 -2.916 -2.861 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.487 -3.789 -5.170 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -5.360 -4.989 -4.568 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -7.175 -6.026 -3.204 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -8.305 -4.813 -3.772 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -7.890 -5.564 -6.146 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -6.803 -6.803 -5.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -8.989 -7.683 -5.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -8.633 -7.775 -4.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -9.686 -6.574 -4.891 1.00 0.00 H new ATOM 657 N VAL A 44 -4.699 -1.361 -5.456 1.00 0.00 N ATOM 658 CA VAL A 44 -4.975 -0.251 -6.350 1.00 0.00 C ATOM 659 C VAL A 44 -5.551 -0.785 -7.659 1.00 0.00 C ATOM 660 O VAL A 44 -5.255 -1.902 -8.074 1.00 0.00 O ATOM 661 CB VAL A 44 -3.720 0.629 -6.543 1.00 0.00 C ATOM 662 CG1 VAL A 44 -2.861 0.754 -5.282 1.00 0.00 C ATOM 663 CG2 VAL A 44 -2.824 0.134 -7.656 1.00 0.00 C ATOM 0 H VAL A 44 -4.148 -2.102 -5.890 1.00 0.00 H new ATOM 0 HA VAL A 44 -5.727 0.404 -5.909 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.129 1.607 -6.798 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.998 1.386 -5.491 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.452 1.200 -4.482 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.521 -0.235 -4.974 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.959 0.791 -7.746 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.489 -0.879 -7.431 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.377 0.133 -8.595 1.00 0.00 H new ATOM 673 N GLU A 45 -6.395 0.030 -8.282 1.00 0.00 N ATOM 674 CA GLU A 45 -6.797 -0.116 -9.661 1.00 0.00 C ATOM 675 C GLU A 45 -5.655 0.494 -10.484 1.00 0.00 C ATOM 676 O GLU A 45 -5.590 1.708 -10.683 1.00 0.00 O ATOM 677 CB GLU A 45 -8.156 0.572 -9.841 1.00 0.00 C ATOM 678 CG GLU A 45 -8.777 0.298 -11.211 1.00 0.00 C ATOM 679 CD GLU A 45 -10.191 0.818 -11.256 1.00 0.00 C ATOM 680 OE1 GLU A 45 -10.430 1.920 -10.726 1.00 0.00 O ATOM 681 OE2 GLU A 45 -11.053 0.107 -11.815 1.00 0.00 O ATOM 0 H GLU A 45 -6.826 0.831 -7.821 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.946 -1.145 -9.988 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.838 0.230 -9.062 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.035 1.647 -9.710 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.182 0.775 -11.990 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -8.769 -0.773 -11.414 1.00 0.00 H new ATOM 688 N VAL A 46 -4.703 -0.347 -10.870 1.00 0.00 N ATOM 689 CA VAL A 46 -3.599 0.016 -11.734 1.00 0.00 C ATOM 690 C VAL A 46 -4.105 -0.163 -13.162 1.00 0.00 C ATOM 691 O VAL A 46 -3.952 -1.219 -13.786 1.00 0.00 O ATOM 692 CB VAL A 46 -2.326 -0.772 -11.364 1.00 0.00 C ATOM 693 CG1 VAL A 46 -2.576 -2.263 -11.180 1.00 0.00 C ATOM 694 CG2 VAL A 46 -1.193 -0.593 -12.375 1.00 0.00 C ATOM 0 H VAL A 46 -4.682 -1.325 -10.580 1.00 0.00 H new ATOM 0 HA VAL A 46 -3.282 1.052 -11.617 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.022 -0.343 -10.409 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.641 -2.759 -10.921 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.301 -2.414 -10.380 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -2.966 -2.684 -12.107 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.327 -1.173 -12.057 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -1.522 -0.939 -13.355 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -0.922 0.461 -12.435 1.00 0.00 H new ATOM 704 N ASN A 47 -4.741 0.890 -13.670 1.00 0.00 N ATOM 705 CA ASN A 47 -5.231 1.015 -15.036 1.00 0.00 C ATOM 706 C ASN A 47 -6.380 0.069 -15.359 1.00 0.00 C ATOM 707 O ASN A 47 -7.520 0.492 -15.543 1.00 0.00 O ATOM 708 CB ASN A 47 -4.079 0.920 -16.049 1.00 0.00 C ATOM 709 CG ASN A 47 -4.600 0.970 -17.473 1.00 0.00 C ATOM 710 OD1 ASN A 47 -4.901 2.038 -17.991 1.00 0.00 O ATOM 711 ND2 ASN A 47 -4.710 -0.177 -18.134 1.00 0.00 N ATOM 0 H ASN A 47 -4.937 1.720 -13.110 1.00 0.00 H new ATOM 0 HA ASN A 47 -5.661 2.013 -15.122 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -3.378 1.739 -15.886 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -3.528 -0.007 -15.892 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -5.052 -0.181 -19.095 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -4.453 -1.054 -17.680 1.00 0.00 H new ATOM 718 N ASP A 48 -6.061 -1.213 -15.462 1.00 0.00 N ATOM 719 CA ASP A 48 -6.943 -2.297 -15.849 1.00 0.00 C ATOM 720 C ASP A 48 -7.025 -3.348 -14.747 1.00 0.00 C ATOM 721 O ASP A 48 -8.048 -4.020 -14.638 1.00 0.00 O ATOM 722 CB ASP A 48 -6.449 -2.938 -17.152 1.00 0.00 C ATOM 723 CG ASP A 48 -5.028 -3.444 -17.039 1.00 0.00 C ATOM 724 OD1 ASP A 48 -4.107 -2.606 -16.930 1.00 0.00 O ATOM 725 OD2 ASP A 48 -4.821 -4.672 -17.069 1.00 0.00 O ATOM 0 H ASP A 48 -5.116 -1.542 -15.264 1.00 0.00 H new ATOM 0 HA ASP A 48 -7.941 -1.888 -16.008 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -7.107 -3.765 -17.420 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -6.510 -2.208 -17.959 1.00 0.00 H new ATOM 730 N ARG A 49 -5.955 -3.538 -13.972 1.00 0.00 N ATOM 731 CA ARG A 49 -5.920 -4.587 -12.947 1.00 0.00 C ATOM 732 C ARG A 49 -6.252 -3.986 -11.586 1.00 0.00 C ATOM 733 O ARG A 49 -5.746 -2.919 -11.246 1.00 0.00 O ATOM 734 CB ARG A 49 -4.544 -5.261 -12.893 1.00 0.00 C ATOM 735 CG ARG A 49 -4.254 -6.184 -14.085 1.00 0.00 C ATOM 736 CD ARG A 49 -2.808 -6.025 -14.573 1.00 0.00 C ATOM 737 NE ARG A 49 -2.646 -4.737 -15.267 1.00 0.00 N ATOM 738 CZ ARG A 49 -1.643 -3.855 -15.110 1.00 0.00 C ATOM 739 NH1 ARG A 49 -0.552 -4.160 -14.415 1.00 0.00 N ATOM 740 NH2 ARG A 49 -1.736 -2.643 -15.646 1.00 0.00 N ATOM 0 H ARG A 49 -5.102 -2.981 -14.033 1.00 0.00 H new ATOM 0 HA ARG A 49 -6.661 -5.343 -13.206 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -3.775 -4.490 -12.848 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -4.470 -5.840 -11.972 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -4.431 -7.220 -13.797 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -4.942 -5.957 -14.899 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -2.123 -6.080 -13.727 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -2.551 -6.844 -15.245 1.00 0.00 H new ATOM 0 HE ARG A 49 -3.372 -4.487 -15.939 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -0.461 -5.081 -13.986 1.00 0.00 H new ATOM 0 HH12 ARG A 49 0.195 -3.473 -14.311 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -2.568 -2.382 -16.176 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -0.976 -1.973 -15.528 1.00 0.00 H new ATOM 754 N GLN A 50 -7.079 -4.670 -10.796 1.00 0.00 N ATOM 755 CA GLN A 50 -7.290 -4.376 -9.389 1.00 0.00 C ATOM 756 C GLN A 50 -6.359 -5.306 -8.613 1.00 0.00 C ATOM 757 O GLN A 50 -6.716 -6.461 -8.349 1.00 0.00 O ATOM 758 CB GLN A 50 -8.759 -4.577 -9.007 1.00 0.00 C ATOM 759 CG GLN A 50 -9.719 -3.668 -9.787 1.00 0.00 C ATOM 760 CD GLN A 50 -9.966 -4.133 -11.217 1.00 0.00 C ATOM 761 OE1 GLN A 50 -9.740 -3.395 -12.174 1.00 0.00 O ATOM 762 NE2 GLN A 50 -10.448 -5.354 -11.387 1.00 0.00 N ATOM 0 H GLN A 50 -7.631 -5.461 -11.129 1.00 0.00 H new ATOM 0 HA GLN A 50 -7.064 -3.335 -9.156 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -9.033 -5.618 -9.181 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.879 -4.390 -7.940 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -10.671 -3.620 -9.259 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -9.314 -2.656 -9.807 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -10.628 -5.949 -10.578 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -10.640 -5.700 -12.327 1.00 0.00 H new ATOM 771 N GLY A 51 -5.155 -4.847 -8.295 1.00 0.00 N ATOM 772 CA GLY A 51 -4.091 -5.691 -7.764 1.00 0.00 C ATOM 773 C GLY A 51 -3.320 -4.976 -6.666 1.00 0.00 C ATOM 774 O GLY A 51 -3.579 -3.806 -6.376 1.00 0.00 O ATOM 0 H GLY A 51 -4.887 -3.868 -8.399 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.517 -6.614 -7.371 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.410 -5.971 -8.568 1.00 0.00 H new ATOM 778 N PHE A 52 -2.404 -5.689 -6.018 1.00 0.00 N ATOM 779 CA PHE A 52 -1.678 -5.194 -4.859 1.00 0.00 C ATOM 780 C PHE A 52 -0.330 -4.588 -5.246 1.00 0.00 C ATOM 781 O PHE A 52 0.342 -5.085 -6.148 1.00 0.00 O ATOM 782 CB PHE A 52 -1.518 -6.323 -3.841 1.00 0.00 C ATOM 783 CG PHE A 52 -2.813 -6.671 -3.128 1.00 0.00 C ATOM 784 CD1 PHE A 52 -3.212 -5.924 -2.005 1.00 0.00 C ATOM 785 CD2 PHE A 52 -3.629 -7.716 -3.592 1.00 0.00 C ATOM 786 CE1 PHE A 52 -4.339 -6.313 -1.264 1.00 0.00 C ATOM 787 CE2 PHE A 52 -4.779 -8.083 -2.875 1.00 0.00 C ATOM 788 CZ PHE A 52 -5.127 -7.394 -1.702 1.00 0.00 C ATOM 0 H PHE A 52 -2.144 -6.638 -6.288 1.00 0.00 H new ATOM 0 HA PHE A 52 -2.254 -4.388 -4.405 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -1.140 -7.211 -4.348 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.770 -6.035 -3.103 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.650 -5.049 -1.712 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.371 -8.238 -4.502 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -4.601 -5.784 -0.360 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -5.397 -8.896 -3.226 1.00 0.00 H new ATOM 0 HZ PHE A 52 -5.998 -7.693 -1.137 1.00 0.00 H new ATOM 798 N VAL A 53 0.070 -3.527 -4.537 1.00 0.00 N ATOM 799 CA VAL A 53 1.376 -2.894 -4.649 1.00 0.00 C ATOM 800 C VAL A 53 1.960 -2.754 -3.236 1.00 0.00 C ATOM 801 O VAL A 53 1.191 -2.591 -2.279 1.00 0.00 O ATOM 802 CB VAL A 53 1.261 -1.528 -5.361 1.00 0.00 C ATOM 803 CG1 VAL A 53 0.445 -1.636 -6.655 1.00 0.00 C ATOM 804 CG2 VAL A 53 0.644 -0.436 -4.478 1.00 0.00 C ATOM 0 H VAL A 53 -0.531 -3.075 -3.848 1.00 0.00 H new ATOM 0 HA VAL A 53 2.044 -3.505 -5.255 1.00 0.00 H new ATOM 0 HB VAL A 53 2.286 -1.238 -5.591 1.00 0.00 H new ATOM 0 HG11 VAL A 53 0.384 -0.657 -7.130 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.929 -2.339 -7.333 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -0.560 -1.990 -6.423 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.592 0.498 -5.038 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.360 -0.735 -4.177 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.261 -0.293 -3.591 1.00 0.00 H new ATOM 814 N PRO A 54 3.288 -2.825 -3.054 1.00 0.00 N ATOM 815 CA PRO A 54 3.915 -2.522 -1.779 1.00 0.00 C ATOM 816 C PRO A 54 3.577 -1.095 -1.349 1.00 0.00 C ATOM 817 O PRO A 54 3.930 -0.148 -2.047 1.00 0.00 O ATOM 818 CB PRO A 54 5.424 -2.660 -2.003 1.00 0.00 C ATOM 819 CG PRO A 54 5.498 -3.638 -3.168 1.00 0.00 C ATOM 820 CD PRO A 54 4.290 -3.246 -4.016 1.00 0.00 C ATOM 0 HA PRO A 54 3.564 -3.193 -0.995 1.00 0.00 H new ATOM 0 HB2 PRO A 54 5.887 -1.704 -2.246 1.00 0.00 H new ATOM 0 HB3 PRO A 54 5.932 -3.044 -1.118 1.00 0.00 H new ATOM 0 HG2 PRO A 54 6.431 -3.537 -3.722 1.00 0.00 H new ATOM 0 HG3 PRO A 54 5.437 -4.673 -2.832 1.00 0.00 H new ATOM 0 HD2 PRO A 54 4.537 -2.442 -4.709 1.00 0.00 H new ATOM 0 HD3 PRO A 54 3.937 -4.086 -4.615 1.00 0.00 H new ATOM 828 N ALA A 55 2.940 -0.934 -0.186 1.00 0.00 N ATOM 829 CA ALA A 55 2.707 0.387 0.374 1.00 0.00 C ATOM 830 C ALA A 55 4.018 1.175 0.518 1.00 0.00 C ATOM 831 O ALA A 55 4.017 2.406 0.447 1.00 0.00 O ATOM 832 CB ALA A 55 2.020 0.260 1.728 1.00 0.00 C ATOM 0 H ALA A 55 2.580 -1.703 0.379 1.00 0.00 H new ATOM 0 HA ALA A 55 2.062 0.937 -0.311 1.00 0.00 H new ATOM 0 HB1 ALA A 55 1.848 1.253 2.143 1.00 0.00 H new ATOM 0 HB2 ALA A 55 1.066 -0.252 1.605 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.654 -0.312 2.406 1.00 0.00 H new ATOM 838 N ALA A 56 5.137 0.477 0.745 1.00 0.00 N ATOM 839 CA ALA A 56 6.449 1.084 0.892 1.00 0.00 C ATOM 840 C ALA A 56 6.798 1.937 -0.326 1.00 0.00 C ATOM 841 O ALA A 56 7.349 3.026 -0.186 1.00 0.00 O ATOM 842 CB ALA A 56 7.506 -0.011 1.085 1.00 0.00 C ATOM 0 H ALA A 56 5.148 -0.539 0.832 1.00 0.00 H new ATOM 0 HA ALA A 56 6.432 1.733 1.767 1.00 0.00 H new ATOM 0 HB1 ALA A 56 8.489 0.447 1.195 1.00 0.00 H new ATOM 0 HB2 ALA A 56 7.273 -0.588 1.980 1.00 0.00 H new ATOM 0 HB3 ALA A 56 7.509 -0.671 0.218 1.00 0.00 H new ATOM 848 N TYR A 57 6.541 1.418 -1.527 1.00 0.00 N ATOM 849 CA TYR A 57 7.062 2.004 -2.752 1.00 0.00 C ATOM 850 C TYR A 57 6.102 3.022 -3.359 1.00 0.00 C ATOM 851 O TYR A 57 6.228 3.339 -4.543 1.00 0.00 O ATOM 852 CB TYR A 57 7.384 0.899 -3.770 1.00 0.00 C ATOM 853 CG TYR A 57 8.304 -0.212 -3.309 1.00 0.00 C ATOM 854 CD1 TYR A 57 9.221 -0.034 -2.249 1.00 0.00 C ATOM 855 CD2 TYR A 57 8.237 -1.455 -3.961 1.00 0.00 C ATOM 856 CE1 TYR A 57 9.985 -1.121 -1.796 1.00 0.00 C ATOM 857 CE2 TYR A 57 9.008 -2.536 -3.508 1.00 0.00 C ATOM 858 CZ TYR A 57 9.859 -2.378 -2.408 1.00 0.00 C ATOM 859 OH TYR A 57 10.510 -3.453 -1.896 1.00 0.00 O ATOM 0 H TYR A 57 5.970 0.586 -1.673 1.00 0.00 H new ATOM 0 HA TYR A 57 7.977 2.538 -2.495 1.00 0.00 H new ATOM 0 HB2 TYR A 57 6.444 0.450 -4.091 1.00 0.00 H new ATOM 0 HB3 TYR A 57 7.830 1.366 -4.648 1.00 0.00 H new ATOM 0 HD1 TYR A 57 9.334 0.936 -1.788 1.00 0.00 H new ATOM 0 HD2 TYR A 57 7.588 -1.579 -4.816 1.00 0.00 H new ATOM 0 HE1 TYR A 57 10.672 -0.990 -0.973 1.00 0.00 H new ATOM 0 HE2 TYR A 57 8.945 -3.491 -4.008 1.00 0.00 H new ATOM 0 HH TYR A 57 10.313 -4.244 -2.440 1.00 0.00 H new ATOM 869 N VAL A 58 5.160 3.548 -2.585 1.00 0.00 N ATOM 870 CA VAL A 58 4.205 4.537 -3.046 1.00 0.00 C ATOM 871 C VAL A 58 4.136 5.672 -2.029 1.00 0.00 C ATOM 872 O VAL A 58 4.423 5.462 -0.849 1.00 0.00 O ATOM 873 CB VAL A 58 2.836 3.874 -3.291 1.00 0.00 C ATOM 874 CG1 VAL A 58 2.874 2.946 -4.508 1.00 0.00 C ATOM 875 CG2 VAL A 58 2.341 3.072 -2.085 1.00 0.00 C ATOM 0 H VAL A 58 5.040 3.292 -1.605 1.00 0.00 H new ATOM 0 HA VAL A 58 4.522 4.962 -3.998 1.00 0.00 H new ATOM 0 HB VAL A 58 2.143 4.696 -3.470 1.00 0.00 H new ATOM 0 HG11 VAL A 58 1.892 2.495 -4.652 1.00 0.00 H new ATOM 0 HG12 VAL A 58 3.144 3.520 -5.395 1.00 0.00 H new ATOM 0 HG13 VAL A 58 3.613 2.162 -4.345 1.00 0.00 H new ATOM 0 HG21 VAL A 58 1.373 2.628 -2.316 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.056 2.283 -1.855 1.00 0.00 H new ATOM 0 HG23 VAL A 58 2.241 3.733 -1.224 1.00 0.00 H new ATOM 885 N LYS A 59 3.776 6.872 -2.485 1.00 0.00 N ATOM 886 CA LYS A 59 3.431 8.012 -1.650 1.00 0.00 C ATOM 887 C LYS A 59 1.978 8.350 -1.961 1.00 0.00 C ATOM 888 O LYS A 59 1.652 8.580 -3.120 1.00 0.00 O ATOM 889 CB LYS A 59 4.351 9.199 -1.966 1.00 0.00 C ATOM 890 CG LYS A 59 3.971 10.470 -1.181 1.00 0.00 C ATOM 891 CD LYS A 59 4.760 11.694 -1.653 1.00 0.00 C ATOM 892 CE LYS A 59 6.263 11.572 -1.364 1.00 0.00 C ATOM 893 NZ LYS A 59 7.016 12.722 -1.897 1.00 0.00 N ATOM 0 H LYS A 59 3.716 7.079 -3.482 1.00 0.00 H new ATOM 0 HA LYS A 59 3.557 7.784 -0.591 1.00 0.00 H new ATOM 0 HB2 LYS A 59 5.381 8.927 -1.734 1.00 0.00 H new ATOM 0 HB3 LYS A 59 4.310 9.411 -3.034 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.904 10.661 -1.295 1.00 0.00 H new ATOM 0 HG3 LYS A 59 4.154 10.308 -0.119 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.609 11.829 -2.724 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.370 12.585 -1.162 1.00 0.00 H new ATOM 0 HE2 LYS A 59 6.422 11.500 -0.288 1.00 0.00 H new ATOM 0 HE3 LYS A 59 6.645 10.651 -1.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 8.027 12.604 -1.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.884 12.776 -2.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.669 13.598 -1.457 1.00 0.00 H new ATOM 907 N LYS A 60 1.112 8.347 -0.950 1.00 0.00 N ATOM 908 CA LYS A 60 -0.281 8.724 -1.109 1.00 0.00 C ATOM 909 C LYS A 60 -0.404 10.236 -1.179 1.00 0.00 C ATOM 910 O LYS A 60 0.145 10.936 -0.334 1.00 0.00 O ATOM 911 CB LYS A 60 -1.127 8.102 0.010 1.00 0.00 C ATOM 912 CG LYS A 60 -2.633 8.222 -0.257 1.00 0.00 C ATOM 913 CD LYS A 60 -3.413 7.212 0.600 1.00 0.00 C ATOM 914 CE LYS A 60 -3.498 7.613 2.077 1.00 0.00 C ATOM 915 NZ LYS A 60 -4.370 8.781 2.275 1.00 0.00 N ATOM 0 H LYS A 60 1.362 8.082 0.003 1.00 0.00 H new ATOM 0 HA LYS A 60 -0.669 8.332 -2.049 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -0.863 7.050 0.119 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.889 8.590 0.955 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -2.969 9.234 -0.032 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -2.836 8.046 -1.313 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -4.421 7.108 0.200 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -2.937 6.235 0.522 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -3.876 6.774 2.661 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -2.499 7.837 2.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -4.863 8.696 3.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -3.795 9.648 2.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -5.069 8.827 1.506 1.00 0.00 H new ATOM 929 N LEU A 61 -1.125 10.711 -2.192 1.00 0.00 N ATOM 930 CA LEU A 61 -1.336 12.128 -2.437 1.00 0.00 C ATOM 931 C LEU A 61 -2.828 12.418 -2.326 1.00 0.00 C ATOM 932 O LEU A 61 -3.421 13.027 -3.213 1.00 0.00 O ATOM 933 CB LEU A 61 -0.774 12.512 -3.814 1.00 0.00 C ATOM 934 CG LEU A 61 0.740 12.315 -3.942 1.00 0.00 C ATOM 935 CD1 LEU A 61 1.156 12.623 -5.386 1.00 0.00 C ATOM 936 CD2 LEU A 61 1.514 13.231 -2.989 1.00 0.00 C ATOM 0 H LEU A 61 -1.585 10.109 -2.875 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.808 12.731 -1.698 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.274 11.917 -4.579 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.013 13.556 -4.015 1.00 0.00 H new ATOM 0 HG LEU A 61 0.975 11.284 -3.680 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.232 12.487 -5.492 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.636 11.948 -6.066 1.00 0.00 H new ATOM 0 HD13 LEU A 61 0.895 13.653 -5.628 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.584 13.061 -3.110 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.284 14.272 -3.217 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.226 13.013 -1.961 1.00 0.00 H new ATOM 948 N ASP A 62 -3.451 11.946 -1.250 1.00 0.00 N ATOM 949 CA ASP A 62 -4.860 12.213 -1.011 1.00 0.00 C ATOM 950 C ASP A 62 -5.043 13.672 -0.626 1.00 0.00 C ATOM 951 O ASP A 62 -4.173 14.233 0.070 1.00 0.00 O ATOM 952 CB ASP A 62 -5.443 11.310 0.070 1.00 0.00 C ATOM 953 CG ASP A 62 -4.996 11.686 1.461 1.00 0.00 C ATOM 954 OD1 ASP A 62 -3.838 11.350 1.795 1.00 0.00 O ATOM 955 OD2 ASP A 62 -5.836 12.181 2.239 1.00 0.00 O ATOM 956 OXT ASP A 62 -6.098 14.234 -0.977 1.00 0.00 O ATOM 0 H ASP A 62 -3.001 11.378 -0.533 1.00 0.00 H new ATOM 0 HA ASP A 62 -5.399 12.000 -1.934 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -6.531 11.351 0.021 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -5.154 10.279 -0.132 1.00 0.00 H new TER 961 ASP A 62