USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 665 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 NoAdj-H: A 39 HIS HD1 : A 39 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 40 THR OG1 : rot 180:sc= -1.01 USER MOD Set 1.2: A 77 ASN : amide:sc= -9.47! C(o=-10!,f=-17!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 51:sc= 0.473 USER MOD Single : A 6 SER OG : rot 8:sc= 0.298 USER MOD Single : A 8 ASN : amide:sc= -0.285 K(o=-0.28,f=-1.8!) USER MOD Single : A 22 MET CE :methyl -171:sc= 0 (180deg=-0.0524) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -99:sc= 0.334 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 33 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.213) USER MOD Single : A 36 HIS :FLIP no HD1:sc= -2.44 F(o=-3.7!,f=-2.4) USER MOD Single : A 44 GLN :FLIP amide:sc= -2.15 F(o=-4.1!,f=-2.1) USER MOD Single : A 48 LYS NZ :NH3+ 150:sc= 0 (180deg=-0.935) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 151:sc= 1.17 USER MOD Single : A 55 ASN : amide:sc= -0.48 X(o=-0.48,f=-0.048) USER MOD Single : A 63 SER OG : rot -7:sc= 0.188 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 110:sc= -0.47 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 GLN :FLIP amide:sc= -2.02! C(o=-7.2!,f=-2!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 166:sc= -0.012 (180deg=-0.185) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.704 10.728 13.468 1.00 0.00 N ATOM 2 CA GLY A 1 -13.753 9.885 14.010 1.00 0.00 C ATOM 3 C GLY A 1 -14.482 9.103 12.935 1.00 0.00 C ATOM 4 O GLY A 1 -15.290 9.661 12.193 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.236 11.241 14.242 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.006 10.138 12.972 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.117 11.410 12.800 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.321 9.190 14.730 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.468 10.503 14.553 1.00 0.00 H new ATOM 8 N SER A 2 -14.196 7.808 12.850 1.00 0.00 N ATOM 9 CA SER A 2 -14.826 6.950 11.854 1.00 0.00 C ATOM 10 C SER A 2 -14.551 5.479 12.152 1.00 0.00 C ATOM 11 O SER A 2 -13.427 5.102 12.486 1.00 0.00 O ATOM 12 CB SER A 2 -14.321 7.302 10.454 1.00 0.00 C ATOM 13 OG SER A 2 -15.280 6.965 9.466 1.00 0.00 O ATOM 0 H SER A 2 -13.532 7.330 13.459 1.00 0.00 H new ATOM 0 HA SER A 2 -15.902 7.116 11.896 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.099 8.368 10.401 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.389 6.772 10.256 1.00 0.00 H new ATOM 0 HG SER A 2 -14.934 7.201 8.580 1.00 0.00 H new ATOM 19 N SER A 3 -15.584 4.653 12.028 1.00 0.00 N ATOM 20 CA SER A 3 -15.456 3.224 12.288 1.00 0.00 C ATOM 21 C SER A 3 -15.322 2.445 10.983 1.00 0.00 C ATOM 22 O SER A 3 -15.617 2.960 9.906 1.00 0.00 O ATOM 23 CB SER A 3 -16.665 2.716 13.076 1.00 0.00 C ATOM 24 OG SER A 3 -16.361 1.511 13.757 1.00 0.00 O ATOM 0 H SER A 3 -16.519 4.949 11.749 1.00 0.00 H new ATOM 0 HA SER A 3 -14.554 3.067 12.880 1.00 0.00 H new ATOM 0 HB2 SER A 3 -16.979 3.474 13.794 1.00 0.00 H new ATOM 0 HB3 SER A 3 -17.502 2.553 12.398 1.00 0.00 H new ATOM 0 HG SER A 3 -17.149 1.208 14.254 1.00 0.00 H new ATOM 30 N GLY A 4 -14.875 1.197 11.089 1.00 0.00 N ATOM 31 CA GLY A 4 -14.709 0.366 9.911 1.00 0.00 C ATOM 32 C GLY A 4 -14.761 -1.114 10.234 1.00 0.00 C ATOM 33 O GLY A 4 -13.736 -1.729 10.531 1.00 0.00 O ATOM 0 H GLY A 4 -14.625 0.747 11.970 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -15.490 0.605 9.189 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.755 0.598 9.438 1.00 0.00 H new ATOM 37 N SER A 5 -15.958 -1.689 10.177 1.00 0.00 N ATOM 38 CA SER A 5 -16.141 -3.105 10.471 1.00 0.00 C ATOM 39 C SER A 5 -17.018 -3.771 9.415 1.00 0.00 C ATOM 40 O SER A 5 -18.245 -3.682 9.465 1.00 0.00 O ATOM 41 CB SER A 5 -16.768 -3.284 11.856 1.00 0.00 C ATOM 42 OG SER A 5 -17.961 -2.529 11.977 1.00 0.00 O ATOM 0 H SER A 5 -16.816 -1.196 9.930 1.00 0.00 H new ATOM 0 HA SER A 5 -15.161 -3.582 10.459 1.00 0.00 H new ATOM 0 HB2 SER A 5 -16.982 -4.339 12.028 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.058 -2.974 12.623 1.00 0.00 H new ATOM 0 HG SER A 5 -18.551 -2.725 11.219 1.00 0.00 H new ATOM 48 N SER A 6 -16.379 -4.437 8.459 1.00 0.00 N ATOM 49 CA SER A 6 -17.099 -5.115 7.387 1.00 0.00 C ATOM 50 C SER A 6 -16.316 -6.326 6.888 1.00 0.00 C ATOM 51 O SER A 6 -15.094 -6.384 7.013 1.00 0.00 O ATOM 52 CB SER A 6 -17.359 -4.149 6.229 1.00 0.00 C ATOM 53 OG SER A 6 -18.366 -3.211 6.565 1.00 0.00 O ATOM 0 H SER A 6 -15.364 -4.522 8.405 1.00 0.00 H new ATOM 0 HA SER A 6 -18.053 -5.460 7.785 1.00 0.00 H new ATOM 0 HB2 SER A 6 -16.438 -3.624 5.975 1.00 0.00 H new ATOM 0 HB3 SER A 6 -17.660 -4.710 5.344 1.00 0.00 H new ATOM 0 HG SER A 6 -18.598 -3.305 7.512 1.00 0.00 H new ATOM 59 N GLY A 7 -17.032 -7.293 6.321 1.00 0.00 N ATOM 60 CA GLY A 7 -16.389 -8.490 5.811 1.00 0.00 C ATOM 61 C GLY A 7 -17.047 -9.008 4.548 1.00 0.00 C ATOM 62 O GLY A 7 -18.253 -8.851 4.360 1.00 0.00 O ATOM 0 H GLY A 7 -18.045 -7.269 6.206 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -15.339 -8.277 5.609 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -16.415 -9.267 6.575 1.00 0.00 H new ATOM 66 N ASN A 8 -16.254 -9.627 3.680 1.00 0.00 N ATOM 67 CA ASN A 8 -16.766 -10.169 2.427 1.00 0.00 C ATOM 68 C ASN A 8 -15.764 -11.134 1.801 1.00 0.00 C ATOM 69 O ASN A 8 -14.669 -11.337 2.327 1.00 0.00 O ATOM 70 CB ASN A 8 -17.080 -9.035 1.448 1.00 0.00 C ATOM 71 CG ASN A 8 -15.842 -8.526 0.737 1.00 0.00 C ATOM 72 OD1 ASN A 8 -14.745 -8.534 1.295 1.00 0.00 O ATOM 73 ND2 ASN A 8 -16.013 -8.081 -0.503 1.00 0.00 N ATOM 0 H ASN A 8 -15.253 -9.766 3.821 1.00 0.00 H new ATOM 0 HA ASN A 8 -17.683 -10.717 2.645 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -17.801 -9.385 0.710 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -17.550 -8.213 1.987 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -15.216 -7.727 -1.032 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -16.941 -8.093 -0.926 1.00 0.00 H new ATOM 80 N LEU A 9 -16.146 -11.726 0.675 1.00 0.00 N ATOM 81 CA LEU A 9 -15.281 -12.669 -0.025 1.00 0.00 C ATOM 82 C LEU A 9 -14.384 -11.947 -1.026 1.00 0.00 C ATOM 83 O LEU A 9 -14.820 -11.020 -1.709 1.00 0.00 O ATOM 84 CB LEU A 9 -16.122 -13.725 -0.745 1.00 0.00 C ATOM 85 CG LEU A 9 -15.439 -15.070 -0.997 1.00 0.00 C ATOM 86 CD1 LEU A 9 -15.217 -15.809 0.314 1.00 0.00 C ATOM 87 CD2 LEU A 9 -16.263 -15.915 -1.956 1.00 0.00 C ATOM 0 H LEU A 9 -17.049 -11.570 0.227 1.00 0.00 H new ATOM 0 HA LEU A 9 -14.647 -13.160 0.714 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -17.025 -13.902 -0.160 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -16.439 -13.316 -1.704 1.00 0.00 H new ATOM 0 HG LEU A 9 -14.467 -14.883 -1.454 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -14.730 -16.764 0.116 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -14.585 -15.208 0.968 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -16.177 -15.985 0.799 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -15.762 -16.868 -2.124 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -17.249 -16.094 -1.528 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -16.369 -15.389 -2.905 1.00 0.00 H new ATOM 99 N ASP A 10 -13.131 -12.379 -1.109 1.00 0.00 N ATOM 100 CA ASP A 10 -12.174 -11.777 -2.029 1.00 0.00 C ATOM 101 C ASP A 10 -12.057 -12.600 -3.308 1.00 0.00 C ATOM 102 O ASP A 10 -11.333 -13.594 -3.354 1.00 0.00 O ATOM 103 CB ASP A 10 -10.803 -11.650 -1.362 1.00 0.00 C ATOM 104 CG ASP A 10 -10.906 -11.310 0.112 1.00 0.00 C ATOM 105 OD1 ASP A 10 -11.448 -12.136 0.875 1.00 0.00 O ATOM 106 OD2 ASP A 10 -10.444 -10.216 0.502 1.00 0.00 O ATOM 0 H ASP A 10 -12.754 -13.144 -0.550 1.00 0.00 H new ATOM 0 HA ASP A 10 -12.536 -10.783 -2.291 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -10.257 -12.586 -1.479 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -10.225 -10.878 -1.870 1.00 0.00 H new ATOM 111 N ALA A 11 -12.775 -12.180 -4.344 1.00 0.00 N ATOM 112 CA ALA A 11 -12.751 -12.877 -5.623 1.00 0.00 C ATOM 113 C ALA A 11 -11.934 -12.106 -6.654 1.00 0.00 C ATOM 114 O ALA A 11 -11.239 -12.699 -7.480 1.00 0.00 O ATOM 115 CB ALA A 11 -14.169 -13.099 -6.130 1.00 0.00 C ATOM 0 H ALA A 11 -13.381 -11.360 -4.322 1.00 0.00 H new ATOM 0 HA ALA A 11 -12.275 -13.846 -5.471 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -14.136 -13.621 -7.086 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -14.724 -13.699 -5.408 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -14.664 -12.137 -6.259 1.00 0.00 H new ATOM 121 N LEU A 12 -12.021 -10.782 -6.601 1.00 0.00 N ATOM 122 CA LEU A 12 -11.289 -9.929 -7.531 1.00 0.00 C ATOM 123 C LEU A 12 -9.793 -10.219 -7.473 1.00 0.00 C ATOM 124 O LEU A 12 -9.288 -10.736 -6.476 1.00 0.00 O ATOM 125 CB LEU A 12 -11.547 -8.455 -7.212 1.00 0.00 C ATOM 126 CG LEU A 12 -12.741 -7.814 -7.919 1.00 0.00 C ATOM 127 CD1 LEU A 12 -12.501 -7.749 -9.420 1.00 0.00 C ATOM 128 CD2 LEU A 12 -14.018 -8.584 -7.615 1.00 0.00 C ATOM 0 H LEU A 12 -12.591 -10.275 -5.924 1.00 0.00 H new ATOM 0 HA LEU A 12 -11.643 -10.144 -8.539 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -11.692 -8.357 -6.136 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -10.652 -7.887 -7.466 1.00 0.00 H new ATOM 0 HG LEU A 12 -12.856 -6.797 -7.545 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -13.362 -7.290 -9.907 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -11.610 -7.154 -9.621 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -12.359 -8.757 -9.810 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -14.857 -8.113 -8.127 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -13.913 -9.613 -7.960 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -14.199 -8.578 -6.540 1.00 0.00 H new ATOM 140 N ARG A 13 -9.088 -9.882 -8.549 1.00 0.00 N ATOM 141 CA ARG A 13 -7.650 -10.106 -8.621 1.00 0.00 C ATOM 142 C ARG A 13 -6.884 -8.827 -8.296 1.00 0.00 C ATOM 143 O ARG A 13 -5.834 -8.556 -8.878 1.00 0.00 O ATOM 144 CB ARG A 13 -7.259 -10.607 -10.012 1.00 0.00 C ATOM 145 CG ARG A 13 -7.502 -9.591 -11.116 1.00 0.00 C ATOM 146 CD ARG A 13 -6.873 -10.033 -12.428 1.00 0.00 C ATOM 147 NE ARG A 13 -7.214 -9.135 -13.528 1.00 0.00 N ATOM 148 CZ ARG A 13 -7.043 -9.444 -14.809 1.00 0.00 C ATOM 149 NH1 ARG A 13 -6.539 -10.623 -15.149 1.00 0.00 N ATOM 150 NH2 ARG A 13 -7.377 -8.574 -15.753 1.00 0.00 N ATOM 0 H ARG A 13 -9.490 -9.453 -9.382 1.00 0.00 H new ATOM 0 HA ARG A 13 -7.389 -10.864 -7.883 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -6.204 -10.880 -10.007 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -7.822 -11.514 -10.234 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -8.574 -9.452 -11.254 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -7.090 -8.626 -10.821 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -5.790 -10.073 -12.315 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -7.206 -11.043 -12.668 1.00 0.00 H new ATOM 0 HE ARG A 13 -7.605 -8.221 -13.301 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -6.282 -11.295 -14.426 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -6.409 -10.857 -16.133 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -7.766 -7.667 -15.496 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -7.245 -8.812 -16.736 1.00 0.00 H new ATOM 164 N GLU A 14 -7.417 -8.044 -7.363 1.00 0.00 N ATOM 165 CA GLU A 14 -6.784 -6.793 -6.962 1.00 0.00 C ATOM 166 C GLU A 14 -6.425 -6.816 -5.479 1.00 0.00 C ATOM 167 O GLU A 14 -6.723 -7.778 -4.771 1.00 0.00 O ATOM 168 CB GLU A 14 -7.709 -5.610 -7.256 1.00 0.00 C ATOM 169 CG GLU A 14 -7.496 -4.998 -8.630 1.00 0.00 C ATOM 170 CD GLU A 14 -6.029 -4.833 -8.975 1.00 0.00 C ATOM 171 OE1 GLU A 14 -5.440 -3.802 -8.588 1.00 0.00 O ATOM 172 OE2 GLU A 14 -5.469 -5.736 -9.631 1.00 0.00 O ATOM 0 H GLU A 14 -8.285 -8.254 -6.871 1.00 0.00 H new ATOM 0 HA GLU A 14 -5.866 -6.679 -7.539 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -8.745 -5.939 -7.171 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.555 -4.842 -6.498 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -7.973 -5.627 -9.381 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -7.986 -4.025 -8.670 1.00 0.00 H new ATOM 179 N VAL A 15 -5.781 -5.749 -5.016 1.00 0.00 N ATOM 180 CA VAL A 15 -5.381 -5.645 -3.618 1.00 0.00 C ATOM 181 C VAL A 15 -6.009 -4.423 -2.956 1.00 0.00 C ATOM 182 O VAL A 15 -5.384 -3.765 -2.123 1.00 0.00 O ATOM 183 CB VAL A 15 -3.849 -5.561 -3.477 1.00 0.00 C ATOM 184 CG1 VAL A 15 -3.192 -6.811 -4.042 1.00 0.00 C ATOM 185 CG2 VAL A 15 -3.319 -4.312 -4.166 1.00 0.00 C ATOM 0 H VAL A 15 -5.525 -4.945 -5.589 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.735 -6.547 -3.120 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.601 -5.497 -2.417 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.110 -6.734 -3.934 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.549 -7.687 -3.500 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -3.445 -6.910 -5.098 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.235 -4.268 -4.057 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.576 -4.344 -5.225 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -3.766 -3.428 -3.711 1.00 0.00 H new ATOM 195 N LEU A 16 -7.248 -4.126 -3.331 1.00 0.00 N ATOM 196 CA LEU A 16 -7.962 -2.983 -2.773 1.00 0.00 C ATOM 197 C LEU A 16 -7.716 -2.866 -1.272 1.00 0.00 C ATOM 198 O LEU A 16 -7.820 -1.782 -0.699 1.00 0.00 O ATOM 199 CB LEU A 16 -9.462 -3.110 -3.047 1.00 0.00 C ATOM 200 CG LEU A 16 -9.874 -3.153 -4.519 1.00 0.00 C ATOM 201 CD1 LEU A 16 -11.334 -3.558 -4.653 1.00 0.00 C ATOM 202 CD2 LEU A 16 -9.630 -1.804 -5.180 1.00 0.00 C ATOM 0 H LEU A 16 -7.779 -4.660 -4.019 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.586 -2.081 -3.255 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -9.824 -4.017 -2.562 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -9.970 -2.270 -2.573 1.00 0.00 H new ATOM 0 HG LEU A 16 -9.263 -3.900 -5.026 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -11.609 -3.583 -5.707 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -11.479 -4.546 -4.216 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -11.961 -2.835 -4.131 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -9.929 -1.853 -6.227 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -10.215 -1.038 -4.671 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -8.571 -1.554 -5.116 1.00 0.00 H new ATOM 214 N GLU A 17 -7.386 -3.990 -0.643 1.00 0.00 N ATOM 215 CA GLU A 17 -7.124 -4.012 0.791 1.00 0.00 C ATOM 216 C GLU A 17 -5.630 -4.153 1.069 1.00 0.00 C ATOM 217 O GLU A 17 -4.887 -4.715 0.263 1.00 0.00 O ATOM 218 CB GLU A 17 -7.887 -5.161 1.454 1.00 0.00 C ATOM 219 CG GLU A 17 -9.259 -4.761 1.972 1.00 0.00 C ATOM 220 CD GLU A 17 -10.258 -5.900 1.915 1.00 0.00 C ATOM 221 OE1 GLU A 17 -9.828 -7.070 1.989 1.00 0.00 O ATOM 222 OE2 GLU A 17 -11.470 -5.621 1.797 1.00 0.00 O ATOM 0 H GLU A 17 -7.294 -4.896 -1.103 1.00 0.00 H new ATOM 0 HA GLU A 17 -7.467 -3.067 1.211 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.002 -5.973 0.735 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.294 -5.550 2.282 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -9.168 -4.414 3.001 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.635 -3.923 1.385 1.00 0.00 H new ATOM 229 N CYS A 18 -5.196 -3.639 2.215 1.00 0.00 N ATOM 230 CA CYS A 18 -3.791 -3.705 2.600 1.00 0.00 C ATOM 231 C CYS A 18 -3.375 -5.144 2.892 1.00 0.00 C ATOM 232 O CYS A 18 -4.084 -5.899 3.559 1.00 0.00 O ATOM 233 CB CYS A 18 -3.536 -2.829 3.828 1.00 0.00 C ATOM 234 SG CYS A 18 -1.804 -2.830 4.394 1.00 0.00 S ATOM 0 H CYS A 18 -5.797 -3.172 2.894 1.00 0.00 H new ATOM 0 HA CYS A 18 -3.193 -3.334 1.767 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -3.832 -1.805 3.599 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -4.174 -3.170 4.643 1.00 0.00 H new ATOM 239 N PRO A 19 -2.197 -5.534 2.383 1.00 0.00 N ATOM 240 CA PRO A 19 -1.659 -6.884 2.576 1.00 0.00 C ATOM 241 C PRO A 19 -1.230 -7.136 4.018 1.00 0.00 C ATOM 242 O PRO A 19 -0.747 -8.218 4.351 1.00 0.00 O ATOM 243 CB PRO A 19 -0.446 -6.920 1.643 1.00 0.00 C ATOM 244 CG PRO A 19 -0.034 -5.495 1.504 1.00 0.00 C ATOM 245 CD PRO A 19 -1.300 -4.688 1.578 1.00 0.00 C ATOM 0 HA PRO A 19 -2.401 -7.653 2.362 1.00 0.00 H new ATOM 0 HB2 PRO A 19 0.358 -7.526 2.062 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -0.702 -7.354 0.677 1.00 0.00 H new ATOM 0 HG2 PRO A 19 0.657 -5.210 2.297 1.00 0.00 H new ATOM 0 HG3 PRO A 19 0.480 -5.328 0.558 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -1.132 -3.719 2.048 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -1.712 -4.494 0.587 1.00 0.00 H new ATOM 253 N ILE A 20 -1.409 -6.130 4.867 1.00 0.00 N ATOM 254 CA ILE A 20 -1.041 -6.244 6.273 1.00 0.00 C ATOM 255 C ILE A 20 -2.273 -6.194 7.170 1.00 0.00 C ATOM 256 O ILE A 20 -2.714 -7.217 7.696 1.00 0.00 O ATOM 257 CB ILE A 20 -0.069 -5.125 6.693 1.00 0.00 C ATOM 258 CG1 ILE A 20 1.185 -5.154 5.818 1.00 0.00 C ATOM 259 CG2 ILE A 20 0.300 -5.269 8.162 1.00 0.00 C ATOM 260 CD1 ILE A 20 2.245 -4.164 6.248 1.00 0.00 C ATOM 0 H ILE A 20 -1.806 -5.227 4.606 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.547 -7.208 6.392 1.00 0.00 H new ATOM 0 HB ILE A 20 -0.563 -4.163 6.555 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.608 -6.158 5.837 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.903 -4.946 4.786 1.00 0.00 H new ATOM 0 HG21 ILE A 20 0.987 -4.471 8.444 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -0.601 -5.204 8.772 1.00 0.00 H new ATOM 0 HG23 ILE A 20 0.779 -6.235 8.324 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.105 -4.240 5.583 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.839 -3.153 6.202 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.555 -4.384 7.269 1.00 0.00 H new ATOM 272 N CYS A 21 -2.828 -4.998 7.339 1.00 0.00 N ATOM 273 CA CYS A 21 -4.011 -4.814 8.170 1.00 0.00 C ATOM 274 C CYS A 21 -5.255 -5.357 7.473 1.00 0.00 C ATOM 275 O CYS A 21 -6.220 -5.754 8.126 1.00 0.00 O ATOM 276 CB CYS A 21 -4.203 -3.332 8.499 1.00 0.00 C ATOM 277 SG CYS A 21 -4.194 -2.240 7.041 1.00 0.00 S ATOM 0 H CYS A 21 -2.477 -4.142 6.911 1.00 0.00 H new ATOM 0 HA CYS A 21 -3.864 -5.369 9.097 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -5.148 -3.208 9.027 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -3.413 -3.017 9.181 1.00 0.00 H new ATOM 282 N MET A 22 -5.224 -5.371 6.145 1.00 0.00 N ATOM 283 CA MET A 22 -6.348 -5.867 5.360 1.00 0.00 C ATOM 284 C MET A 22 -7.558 -4.948 5.501 1.00 0.00 C ATOM 285 O MET A 22 -8.686 -5.412 5.656 1.00 0.00 O ATOM 286 CB MET A 22 -6.718 -7.286 5.797 1.00 0.00 C ATOM 287 CG MET A 22 -5.562 -8.269 5.708 1.00 0.00 C ATOM 288 SD MET A 22 -5.465 -9.083 4.102 1.00 0.00 S ATOM 289 CE MET A 22 -3.889 -9.921 4.242 1.00 0.00 C ATOM 0 H MET A 22 -4.433 -5.045 5.590 1.00 0.00 H new ATOM 0 HA MET A 22 -6.047 -5.884 4.313 1.00 0.00 H new ATOM 0 HB2 MET A 22 -7.082 -7.258 6.824 1.00 0.00 H new ATOM 0 HB3 MET A 22 -7.539 -7.646 5.177 1.00 0.00 H new ATOM 0 HG2 MET A 22 -4.627 -7.743 5.901 1.00 0.00 H new ATOM 0 HG3 MET A 22 -5.671 -9.023 6.487 1.00 0.00 H new ATOM 0 HE1 MET A 22 -3.611 -10.337 3.274 1.00 0.00 H new ATOM 0 HE2 MET A 22 -3.127 -9.211 4.564 1.00 0.00 H new ATOM 0 HE3 MET A 22 -3.968 -10.725 4.973 1.00 0.00 H new ATOM 299 N GLU A 23 -7.313 -3.642 5.447 1.00 0.00 N ATOM 300 CA GLU A 23 -8.383 -2.659 5.571 1.00 0.00 C ATOM 301 C GLU A 23 -8.505 -1.825 4.299 1.00 0.00 C ATOM 302 O GLU A 23 -7.527 -1.247 3.826 1.00 0.00 O ATOM 303 CB GLU A 23 -8.128 -1.744 6.771 1.00 0.00 C ATOM 304 CG GLU A 23 -8.754 -2.246 8.062 1.00 0.00 C ATOM 305 CD GLU A 23 -10.260 -2.393 7.962 1.00 0.00 C ATOM 306 OE1 GLU A 23 -10.941 -1.372 7.732 1.00 0.00 O ATOM 307 OE2 GLU A 23 -10.757 -3.528 8.113 1.00 0.00 O ATOM 0 H GLU A 23 -6.384 -3.241 5.318 1.00 0.00 H new ATOM 0 HA GLU A 23 -9.319 -3.196 5.725 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -7.053 -1.639 6.915 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -8.519 -0.751 6.550 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -8.315 -3.209 8.324 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -8.513 -1.556 8.871 1.00 0.00 H new ATOM 314 N SER A 24 -9.714 -1.770 3.749 1.00 0.00 N ATOM 315 CA SER A 24 -9.965 -1.011 2.529 1.00 0.00 C ATOM 316 C SER A 24 -9.132 0.267 2.503 1.00 0.00 C ATOM 317 O SER A 24 -9.123 1.035 3.465 1.00 0.00 O ATOM 318 CB SER A 24 -11.451 -0.667 2.414 1.00 0.00 C ATOM 319 OG SER A 24 -11.660 0.393 1.497 1.00 0.00 O ATOM 0 H SER A 24 -10.535 -2.242 4.129 1.00 0.00 H new ATOM 0 HA SER A 24 -9.676 -1.630 1.680 1.00 0.00 H new ATOM 0 HB2 SER A 24 -12.007 -1.547 2.090 1.00 0.00 H new ATOM 0 HB3 SER A 24 -11.839 -0.387 3.393 1.00 0.00 H new ATOM 0 HG SER A 24 -12.618 0.593 1.440 1.00 0.00 H new ATOM 325 N PHE A 25 -8.433 0.487 1.395 1.00 0.00 N ATOM 326 CA PHE A 25 -7.595 1.671 1.242 1.00 0.00 C ATOM 327 C PHE A 25 -8.446 2.937 1.192 1.00 0.00 C ATOM 328 O PHE A 25 -9.035 3.264 0.161 1.00 0.00 O ATOM 329 CB PHE A 25 -6.748 1.562 -0.027 1.00 0.00 C ATOM 330 CG PHE A 25 -5.597 0.605 0.100 1.00 0.00 C ATOM 331 CD1 PHE A 25 -4.769 0.641 1.210 1.00 0.00 C ATOM 332 CD2 PHE A 25 -5.344 -0.330 -0.890 1.00 0.00 C ATOM 333 CE1 PHE A 25 -3.709 -0.238 1.329 1.00 0.00 C ATOM 334 CE2 PHE A 25 -4.286 -1.212 -0.777 1.00 0.00 C ATOM 335 CZ PHE A 25 -3.468 -1.166 0.335 1.00 0.00 C ATOM 0 H PHE A 25 -8.430 -0.139 0.590 1.00 0.00 H new ATOM 0 HA PHE A 25 -6.935 1.732 2.107 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -7.385 1.244 -0.853 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -6.363 2.549 -0.283 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -4.954 1.364 1.991 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -5.981 -0.370 -1.761 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -3.070 -0.199 2.199 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -4.099 -1.936 -1.557 1.00 0.00 H new ATOM 0 HZ PHE A 25 -2.641 -1.855 0.427 1.00 0.00 H new ATOM 345 N THR A 26 -8.507 3.646 2.315 1.00 0.00 N ATOM 346 CA THR A 26 -9.287 4.875 2.402 1.00 0.00 C ATOM 347 C THR A 26 -8.409 6.100 2.171 1.00 0.00 C ATOM 348 O THR A 26 -7.290 6.176 2.676 1.00 0.00 O ATOM 349 CB THR A 26 -9.980 5.005 3.771 1.00 0.00 C ATOM 350 OG1 THR A 26 -9.001 5.170 4.802 1.00 0.00 O ATOM 351 CG2 THR A 26 -10.831 3.779 4.065 1.00 0.00 C ATOM 0 H THR A 26 -8.026 3.390 3.177 1.00 0.00 H new ATOM 0 HA THR A 26 -10.047 4.823 1.622 1.00 0.00 H new ATOM 0 HB THR A 26 -10.629 5.880 3.743 1.00 0.00 H new ATOM 0 HG1 THR A 26 -8.843 4.310 5.244 1.00 0.00 H new ATOM 0 HG21 THR A 26 -11.311 3.894 5.037 1.00 0.00 H new ATOM 0 HG22 THR A 26 -11.594 3.672 3.294 1.00 0.00 H new ATOM 0 HG23 THR A 26 -10.199 2.891 4.075 1.00 0.00 H new ATOM 359 N GLU A 27 -8.926 7.056 1.405 1.00 0.00 N ATOM 360 CA GLU A 27 -8.188 8.278 1.108 1.00 0.00 C ATOM 361 C GLU A 27 -8.318 9.283 2.249 1.00 0.00 C ATOM 362 O GLU A 27 -7.950 10.449 2.107 1.00 0.00 O ATOM 363 CB GLU A 27 -8.692 8.901 -0.195 1.00 0.00 C ATOM 364 CG GLU A 27 -10.018 9.628 -0.049 1.00 0.00 C ATOM 365 CD GLU A 27 -11.206 8.751 -0.392 1.00 0.00 C ATOM 366 OE1 GLU A 27 -11.411 8.472 -1.592 1.00 0.00 O ATOM 367 OE2 GLU A 27 -11.931 8.342 0.539 1.00 0.00 O ATOM 0 H GLU A 27 -9.852 7.008 0.980 1.00 0.00 H new ATOM 0 HA GLU A 27 -7.136 8.018 0.994 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.943 9.600 -0.567 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -8.797 8.118 -0.945 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -10.120 9.987 0.975 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -10.020 10.505 -0.696 1.00 0.00 H new ATOM 374 N GLU A 28 -8.846 8.822 3.379 1.00 0.00 N ATOM 375 CA GLU A 28 -9.026 9.682 4.543 1.00 0.00 C ATOM 376 C GLU A 28 -8.007 9.348 5.629 1.00 0.00 C ATOM 377 O GLU A 28 -7.415 10.241 6.234 1.00 0.00 O ATOM 378 CB GLU A 28 -10.445 9.535 5.098 1.00 0.00 C ATOM 379 CG GLU A 28 -11.500 10.242 4.264 1.00 0.00 C ATOM 380 CD GLU A 28 -12.886 10.140 4.870 1.00 0.00 C ATOM 381 OE1 GLU A 28 -13.072 10.618 6.009 1.00 0.00 O ATOM 382 OE2 GLU A 28 -13.785 9.583 4.206 1.00 0.00 O ATOM 0 H GLU A 28 -9.156 7.860 3.513 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.871 10.714 4.228 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -10.694 8.476 5.161 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.472 9.930 6.114 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -11.230 11.293 4.158 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -11.513 9.814 3.262 1.00 0.00 H new ATOM 389 N GLN A 29 -7.809 8.056 5.869 1.00 0.00 N ATOM 390 CA GLN A 29 -6.862 7.604 6.882 1.00 0.00 C ATOM 391 C GLN A 29 -5.868 6.609 6.293 1.00 0.00 C ATOM 392 O GLN A 29 -4.680 6.906 6.161 1.00 0.00 O ATOM 393 CB GLN A 29 -7.606 6.966 8.057 1.00 0.00 C ATOM 394 CG GLN A 29 -6.856 7.061 9.376 1.00 0.00 C ATOM 395 CD GLN A 29 -7.756 6.844 10.576 1.00 0.00 C ATOM 396 OE1 GLN A 29 -8.730 6.092 10.508 1.00 0.00 O ATOM 397 NE2 GLN A 29 -7.435 7.501 11.684 1.00 0.00 N ATOM 0 H GLN A 29 -8.291 7.304 5.376 1.00 0.00 H new ATOM 0 HA GLN A 29 -6.309 8.473 7.240 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -8.578 7.448 8.166 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -7.794 5.917 7.830 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -6.056 6.321 9.389 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -6.385 8.041 9.452 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -6.619 8.114 11.696 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -8.004 7.393 12.524 1.00 0.00 H new ATOM 406 N LEU A 30 -6.361 5.426 5.941 1.00 0.00 N ATOM 407 CA LEU A 30 -5.515 4.386 5.366 1.00 0.00 C ATOM 408 C LEU A 30 -5.245 4.658 3.890 1.00 0.00 C ATOM 409 O LEU A 30 -5.904 4.096 3.014 1.00 0.00 O ATOM 410 CB LEU A 30 -6.175 3.016 5.532 1.00 0.00 C ATOM 411 CG LEU A 30 -6.595 2.641 6.954 1.00 0.00 C ATOM 412 CD1 LEU A 30 -7.557 1.463 6.933 1.00 0.00 C ATOM 413 CD2 LEU A 30 -5.374 2.320 7.803 1.00 0.00 C ATOM 0 H LEU A 30 -7.341 5.164 6.044 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.563 4.391 5.897 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -7.057 2.980 4.893 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.485 2.256 5.166 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.108 3.494 7.398 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -7.845 1.210 7.953 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -8.446 1.729 6.360 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -7.071 0.604 6.470 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.692 2.055 8.812 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.834 1.483 7.361 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.721 3.192 7.845 1.00 0.00 H new ATOM 425 N ARG A 31 -4.272 5.521 3.621 1.00 0.00 N ATOM 426 CA ARG A 31 -3.914 5.867 2.250 1.00 0.00 C ATOM 427 C ARG A 31 -3.005 4.803 1.641 1.00 0.00 C ATOM 428 O ARG A 31 -1.984 4.422 2.214 1.00 0.00 O ATOM 429 CB ARG A 31 -3.221 7.230 2.209 1.00 0.00 C ATOM 430 CG ARG A 31 -4.187 8.403 2.182 1.00 0.00 C ATOM 431 CD ARG A 31 -3.462 9.715 1.923 1.00 0.00 C ATOM 432 NE ARG A 31 -3.071 9.856 0.523 1.00 0.00 N ATOM 433 CZ ARG A 31 -2.656 10.999 -0.013 1.00 0.00 C ATOM 434 NH1 ARG A 31 -2.579 12.094 0.731 1.00 0.00 N ATOM 435 NH2 ARG A 31 -2.317 11.048 -1.295 1.00 0.00 N ATOM 0 H ARG A 31 -3.717 5.994 4.334 1.00 0.00 H new ATOM 0 HA ARG A 31 -4.831 5.916 1.663 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -2.572 7.325 3.080 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.581 7.277 1.328 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.937 8.241 1.407 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -4.718 8.461 3.132 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -4.107 10.547 2.205 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -2.575 9.770 2.555 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.119 9.032 -0.076 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -2.839 12.060 1.717 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -2.260 12.970 0.317 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -2.375 10.208 -1.870 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -1.999 11.926 -1.705 1.00 0.00 H new ATOM 449 N PRO A 32 -3.383 4.311 0.452 1.00 0.00 N ATOM 450 CA PRO A 32 -2.616 3.286 -0.261 1.00 0.00 C ATOM 451 C PRO A 32 -1.290 3.818 -0.793 1.00 0.00 C ATOM 452 O PRO A 32 -1.259 4.772 -1.571 1.00 0.00 O ATOM 453 CB PRO A 32 -3.537 2.893 -1.418 1.00 0.00 C ATOM 454 CG PRO A 32 -4.396 4.090 -1.641 1.00 0.00 C ATOM 455 CD PRO A 32 -4.588 4.719 -0.289 1.00 0.00 C ATOM 0 HA PRO A 32 -2.347 2.454 0.389 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -2.965 2.644 -2.312 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -4.136 2.017 -1.168 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -3.922 4.787 -2.332 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -5.353 3.807 -2.079 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -4.669 5.804 -0.358 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -5.497 4.362 0.195 1.00 0.00 H new ATOM 463 N LYS A 33 -0.195 3.197 -0.368 1.00 0.00 N ATOM 464 CA LYS A 33 1.135 3.607 -0.803 1.00 0.00 C ATOM 465 C LYS A 33 1.841 2.473 -1.540 1.00 0.00 C ATOM 466 O LYS A 33 1.792 1.318 -1.115 1.00 0.00 O ATOM 467 CB LYS A 33 1.974 4.048 0.399 1.00 0.00 C ATOM 468 CG LYS A 33 1.240 4.985 1.342 1.00 0.00 C ATOM 469 CD LYS A 33 0.851 6.280 0.650 1.00 0.00 C ATOM 470 CE LYS A 33 1.893 7.366 0.870 1.00 0.00 C ATOM 471 NZ LYS A 33 1.743 8.485 -0.101 1.00 0.00 N ATOM 0 H LYS A 33 -0.202 2.407 0.278 1.00 0.00 H new ATOM 0 HA LYS A 33 1.022 4.447 -1.488 1.00 0.00 H new ATOM 0 HB2 LYS A 33 2.292 3.165 0.953 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.877 4.542 0.040 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.346 4.492 1.723 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.873 5.207 2.202 1.00 0.00 H new ATOM 0 HD2 LYS A 33 0.731 6.101 -0.418 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -0.114 6.619 1.027 1.00 0.00 H new ATOM 0 HE2 LYS A 33 1.806 7.752 1.885 1.00 0.00 H new ATOM 0 HE3 LYS A 33 2.890 6.936 0.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 2.289 9.307 0.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.096 8.186 -1.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 0.739 8.745 -0.179 1.00 0.00 H new ATOM 485 N LEU A 34 2.497 2.810 -2.645 1.00 0.00 N ATOM 486 CA LEU A 34 3.214 1.820 -3.441 1.00 0.00 C ATOM 487 C LEU A 34 4.720 1.935 -3.225 1.00 0.00 C ATOM 488 O LEU A 34 5.295 3.017 -3.350 1.00 0.00 O ATOM 489 CB LEU A 34 2.885 1.994 -4.925 1.00 0.00 C ATOM 490 CG LEU A 34 2.970 0.731 -5.783 1.00 0.00 C ATOM 491 CD1 LEU A 34 2.390 -0.461 -5.039 1.00 0.00 C ATOM 492 CD2 LEU A 34 2.250 0.938 -7.108 1.00 0.00 C ATOM 0 H LEU A 34 2.547 3.761 -3.010 1.00 0.00 H new ATOM 0 HA LEU A 34 2.894 0.829 -3.118 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.876 2.399 -5.008 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.563 2.739 -5.342 1.00 0.00 H new ATOM 0 HG LEU A 34 4.020 0.526 -5.991 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.460 -1.350 -5.666 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.949 -0.622 -4.117 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.345 -0.267 -4.799 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.320 0.029 -7.706 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.201 1.168 -6.920 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.712 1.765 -7.648 1.00 0.00 H new ATOM 504 N LEU A 35 5.353 0.812 -2.903 1.00 0.00 N ATOM 505 CA LEU A 35 6.793 0.786 -2.673 1.00 0.00 C ATOM 506 C LEU A 35 7.551 0.587 -3.981 1.00 0.00 C ATOM 507 O LEU A 35 6.979 0.157 -4.983 1.00 0.00 O ATOM 508 CB LEU A 35 7.152 -0.329 -1.688 1.00 0.00 C ATOM 509 CG LEU A 35 6.435 -0.288 -0.338 1.00 0.00 C ATOM 510 CD1 LEU A 35 6.807 -1.501 0.500 1.00 0.00 C ATOM 511 CD2 LEU A 35 6.768 0.998 0.404 1.00 0.00 C ATOM 0 H LEU A 35 4.892 -0.092 -2.795 1.00 0.00 H new ATOM 0 HA LEU A 35 7.085 1.747 -2.248 1.00 0.00 H new ATOM 0 HB2 LEU A 35 6.938 -1.287 -2.161 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.226 -0.295 -1.507 1.00 0.00 H new ATOM 0 HG LEU A 35 5.360 -0.312 -0.518 1.00 0.00 H new ATOM 0 HD11 LEU A 35 6.288 -1.455 1.457 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.517 -2.410 -0.027 1.00 0.00 H new ATOM 0 HD13 LEU A 35 7.883 -1.509 0.671 1.00 0.00 H new ATOM 0 HD21 LEU A 35 6.249 1.010 1.362 1.00 0.00 H new ATOM 0 HD22 LEU A 35 7.843 1.053 0.573 1.00 0.00 H new ATOM 0 HD23 LEU A 35 6.450 1.854 -0.191 1.00 0.00 H new ATOM 523 N HIS A 36 8.843 0.901 -3.965 1.00 0.00 N ATOM 524 CA HIS A 36 9.680 0.755 -5.150 1.00 0.00 C ATOM 525 C HIS A 36 9.752 -0.705 -5.588 1.00 0.00 C ATOM 526 O HIS A 36 10.300 -1.022 -6.644 1.00 0.00 O ATOM 527 CB HIS A 36 11.087 1.286 -4.876 1.00 0.00 C ATOM 528 CG HIS A 36 11.132 2.764 -4.634 1.00 0.00 C ATOM 529 ND1 HIS A 36 10.149 3.640 -4.321 1.00 0.00 N flip ATOM 530 CD2 HIS A 36 12.294 3.503 -4.705 1.00 0.00 C flip ATOM 531 CE1 HIS A 36 10.729 4.880 -4.209 1.00 0.00 C flip ATOM 532 NE2 HIS A 36 12.024 4.770 -4.445 1.00 0.00 N flip ATOM 0 H HIS A 36 9.332 1.258 -3.144 1.00 0.00 H new ATOM 0 HA HIS A 36 9.231 1.337 -5.955 1.00 0.00 H new ATOM 0 HB2 HIS A 36 11.498 0.771 -4.008 1.00 0.00 H new ATOM 0 HB3 HIS A 36 11.729 1.045 -5.723 1.00 0.00 H new ATOM 0 HD2 HIS A 36 13.272 3.108 -4.937 1.00 0.00 H new ATOM 0 HE1 HIS A 36 10.211 5.796 -3.967 1.00 0.00 H new ATOM 0 HE2 HIS A 36 12.700 5.533 -4.429 1.00 0.00 H new ATOM 540 N CYS A 37 9.195 -1.591 -4.768 1.00 0.00 N ATOM 541 CA CYS A 37 9.197 -3.018 -5.069 1.00 0.00 C ATOM 542 C CYS A 37 7.953 -3.408 -5.862 1.00 0.00 C ATOM 543 O CYS A 37 8.034 -4.156 -6.836 1.00 0.00 O ATOM 544 CB CYS A 37 9.266 -3.833 -3.776 1.00 0.00 C ATOM 545 SG CYS A 37 7.817 -3.630 -2.691 1.00 0.00 S ATOM 0 H CYS A 37 8.737 -1.346 -3.890 1.00 0.00 H new ATOM 0 HA CYS A 37 10.077 -3.235 -5.675 1.00 0.00 H new ATOM 0 HB2 CYS A 37 9.372 -4.888 -4.029 1.00 0.00 H new ATOM 0 HB3 CYS A 37 10.162 -3.546 -3.225 1.00 0.00 H new ATOM 550 N GLY A 38 6.802 -2.895 -5.438 1.00 0.00 N ATOM 551 CA GLY A 38 5.557 -3.200 -6.120 1.00 0.00 C ATOM 552 C GLY A 38 4.410 -3.431 -5.157 1.00 0.00 C ATOM 553 O GLY A 38 3.258 -3.125 -5.467 1.00 0.00 O ATOM 0 H GLY A 38 6.709 -2.274 -4.634 1.00 0.00 H new ATOM 0 HA2 GLY A 38 5.304 -2.380 -6.792 1.00 0.00 H new ATOM 0 HA3 GLY A 38 5.693 -4.088 -6.738 1.00 0.00 H new ATOM 557 N HIS A 39 4.724 -3.973 -3.984 1.00 0.00 N ATOM 558 CA HIS A 39 3.709 -4.246 -2.972 1.00 0.00 C ATOM 559 C HIS A 39 3.015 -2.959 -2.538 1.00 0.00 C ATOM 560 O HIS A 39 3.651 -1.914 -2.400 1.00 0.00 O ATOM 561 CB HIS A 39 4.339 -4.933 -1.760 1.00 0.00 C ATOM 562 CG HIS A 39 4.681 -6.372 -1.998 1.00 0.00 C ATOM 563 ND1 HIS A 39 5.865 -6.943 -1.583 1.00 0.00 N ATOM 564 CD2 HIS A 39 3.984 -7.358 -2.610 1.00 0.00 C ATOM 565 CE1 HIS A 39 5.883 -8.217 -1.931 1.00 0.00 C ATOM 566 NE2 HIS A 39 4.753 -8.494 -2.555 1.00 0.00 N ATOM 0 H HIS A 39 5.672 -4.232 -3.711 1.00 0.00 H new ATOM 0 HA HIS A 39 2.964 -4.910 -3.410 1.00 0.00 H new ATOM 0 HB2 HIS A 39 5.244 -4.395 -1.477 1.00 0.00 H new ATOM 0 HB3 HIS A 39 3.652 -4.866 -0.917 1.00 0.00 H new ATOM 0 HD2 HIS A 39 3.005 -7.268 -3.058 1.00 0.00 H new ATOM 0 HE1 HIS A 39 6.685 -8.914 -1.738 1.00 0.00 H new ATOM 0 HE2 HIS A 39 4.493 -9.404 -2.935 1.00 0.00 H new ATOM 574 N THR A 40 1.705 -3.041 -2.326 1.00 0.00 N ATOM 575 CA THR A 40 0.924 -1.883 -1.910 1.00 0.00 C ATOM 576 C THR A 40 0.505 -1.999 -0.449 1.00 0.00 C ATOM 577 O THR A 40 -0.197 -2.936 -0.067 1.00 0.00 O ATOM 578 CB THR A 40 -0.335 -1.712 -2.781 1.00 0.00 C ATOM 579 OG1 THR A 40 -0.012 -1.937 -4.158 1.00 0.00 O ATOM 580 CG2 THR A 40 -0.923 -0.319 -2.614 1.00 0.00 C ATOM 0 H THR A 40 1.163 -3.898 -2.436 1.00 0.00 H new ATOM 0 HA THR A 40 1.564 -1.009 -2.034 1.00 0.00 H new ATOM 0 HB THR A 40 -1.076 -2.443 -2.458 1.00 0.00 H new ATOM 0 HG1 THR A 40 -0.818 -1.828 -4.705 1.00 0.00 H new ATOM 0 HG21 THR A 40 -1.811 -0.222 -3.239 1.00 0.00 H new ATOM 0 HG22 THR A 40 -1.194 -0.161 -1.570 1.00 0.00 H new ATOM 0 HG23 THR A 40 -0.185 0.426 -2.913 1.00 0.00 H new ATOM 588 N ILE A 41 0.938 -1.042 0.364 1.00 0.00 N ATOM 589 CA ILE A 41 0.606 -1.037 1.783 1.00 0.00 C ATOM 590 C ILE A 41 0.041 0.314 2.210 1.00 0.00 C ATOM 591 O ILE A 41 0.400 1.353 1.656 1.00 0.00 O ATOM 592 CB ILE A 41 1.836 -1.364 2.651 1.00 0.00 C ATOM 593 CG1 ILE A 41 2.450 -2.697 2.221 1.00 0.00 C ATOM 594 CG2 ILE A 41 1.451 -1.401 4.122 1.00 0.00 C ATOM 595 CD1 ILE A 41 3.640 -3.112 3.058 1.00 0.00 C ATOM 0 H ILE A 41 1.520 -0.260 0.064 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.149 -1.809 1.933 1.00 0.00 H new ATOM 0 HB ILE A 41 2.581 -0.581 2.511 1.00 0.00 H new ATOM 0 HG12 ILE A 41 1.688 -3.474 2.277 1.00 0.00 H new ATOM 0 HG13 ILE A 41 2.757 -2.627 1.177 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.330 -1.633 4.723 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.055 -0.430 4.419 1.00 0.00 H new ATOM 0 HG23 ILE A 41 0.691 -2.166 4.280 1.00 0.00 H new ATOM 0 HD11 ILE A 41 4.024 -4.066 2.697 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.420 -2.355 2.982 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.334 -3.215 4.099 1.00 0.00 H new ATOM 607 N CYS A 42 -0.844 0.292 3.201 1.00 0.00 N ATOM 608 CA CYS A 42 -1.459 1.514 3.705 1.00 0.00 C ATOM 609 C CYS A 42 -0.452 2.341 4.501 1.00 0.00 C ATOM 610 O CYS A 42 0.388 1.795 5.216 1.00 0.00 O ATOM 611 CB CYS A 42 -2.666 1.179 4.582 1.00 0.00 C ATOM 612 SG CYS A 42 -2.233 0.493 6.214 1.00 0.00 S ATOM 0 H CYS A 42 -1.151 -0.559 3.671 1.00 0.00 H new ATOM 0 HA CYS A 42 -1.792 2.102 2.850 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -3.259 2.082 4.725 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -3.297 0.463 4.055 1.00 0.00 H new ATOM 617 N ARG A 43 -0.545 3.660 4.372 1.00 0.00 N ATOM 618 CA ARG A 43 0.357 4.562 5.078 1.00 0.00 C ATOM 619 C ARG A 43 0.466 4.180 6.551 1.00 0.00 C ATOM 620 O ARG A 43 1.536 4.279 7.150 1.00 0.00 O ATOM 621 CB ARG A 43 -0.129 6.007 4.950 1.00 0.00 C ATOM 622 CG ARG A 43 -1.056 6.440 6.074 1.00 0.00 C ATOM 623 CD ARG A 43 -0.278 7.002 7.253 1.00 0.00 C ATOM 624 NE ARG A 43 0.353 8.279 6.933 1.00 0.00 N ATOM 625 CZ ARG A 43 -0.326 9.398 6.705 1.00 0.00 C ATOM 626 NH1 ARG A 43 -1.651 9.396 6.761 1.00 0.00 N ATOM 627 NH2 ARG A 43 0.320 10.521 6.420 1.00 0.00 N ATOM 0 H ARG A 43 -1.236 4.128 3.785 1.00 0.00 H new ATOM 0 HA ARG A 43 1.344 4.476 4.624 1.00 0.00 H new ATOM 0 HB2 ARG A 43 0.735 6.671 4.927 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -0.647 6.124 3.998 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -1.752 7.193 5.704 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.653 5.589 6.403 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.950 7.132 8.102 1.00 0.00 H new ATOM 0 HD3 ARG A 43 0.486 6.286 7.558 1.00 0.00 H new ATOM 0 HE ARG A 43 1.371 8.314 6.882 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -2.151 8.534 6.980 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -2.170 10.256 6.586 1.00 0.00 H new ATOM 0 HH21 ARG A 43 1.339 10.526 6.376 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -0.202 11.379 6.245 1.00 0.00 H new ATOM 641 N GLN A 44 -0.649 3.742 7.127 1.00 0.00 N ATOM 642 CA GLN A 44 -0.679 3.346 8.530 1.00 0.00 C ATOM 643 C GLN A 44 0.395 2.304 8.824 1.00 0.00 C ATOM 644 O GLN A 44 1.133 2.416 9.804 1.00 0.00 O ATOM 645 CB GLN A 44 -2.057 2.793 8.897 1.00 0.00 C ATOM 646 CG GLN A 44 -2.072 2.012 10.201 1.00 0.00 C ATOM 647 CD GLN A 44 -3.476 1.701 10.679 1.00 0.00 C ATOM 648 OE1 GLN A 44 -4.212 0.927 9.890 1.00 0.00 O flip ATOM 649 NE2 GLN A 44 -3.895 2.151 11.745 1.00 0.00 N flip ATOM 0 H GLN A 44 -1.543 3.652 6.644 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.478 4.230 9.135 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -2.763 3.620 8.970 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -2.406 2.146 8.092 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -1.523 1.080 10.068 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -1.549 2.583 10.968 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -3.295 2.742 12.320 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -4.842 1.933 12.053 1.00 0.00 H new ATOM 658 N CYS A 45 0.478 1.289 7.970 1.00 0.00 N ATOM 659 CA CYS A 45 1.460 0.226 8.138 1.00 0.00 C ATOM 660 C CYS A 45 2.850 0.698 7.720 1.00 0.00 C ATOM 661 O CYS A 45 3.856 0.299 8.307 1.00 0.00 O ATOM 662 CB CYS A 45 1.059 -1.002 7.317 1.00 0.00 C ATOM 663 SG CYS A 45 -0.325 -1.951 8.027 1.00 0.00 S ATOM 0 H CYS A 45 -0.124 1.181 7.154 1.00 0.00 H new ATOM 0 HA CYS A 45 1.489 -0.044 9.194 1.00 0.00 H new ATOM 0 HB2 CYS A 45 0.787 -0.681 6.311 1.00 0.00 H new ATOM 0 HB3 CYS A 45 1.924 -1.659 7.219 1.00 0.00 H new ATOM 668 N LEU A 46 2.898 1.551 6.702 1.00 0.00 N ATOM 669 CA LEU A 46 4.163 2.079 6.205 1.00 0.00 C ATOM 670 C LEU A 46 4.819 2.986 7.241 1.00 0.00 C ATOM 671 O LEU A 46 6.044 3.064 7.325 1.00 0.00 O ATOM 672 CB LEU A 46 3.941 2.850 4.903 1.00 0.00 C ATOM 673 CG LEU A 46 5.195 3.405 4.229 1.00 0.00 C ATOM 674 CD1 LEU A 46 5.762 2.397 3.241 1.00 0.00 C ATOM 675 CD2 LEU A 46 4.888 4.723 3.532 1.00 0.00 C ATOM 0 H LEU A 46 2.075 1.891 6.205 1.00 0.00 H new ATOM 0 HA LEU A 46 4.828 1.238 6.012 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.434 2.192 4.197 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.265 3.680 5.107 1.00 0.00 H new ATOM 0 HG LEU A 46 5.945 3.590 4.998 1.00 0.00 H new ATOM 0 HD11 LEU A 46 6.654 2.810 2.771 1.00 0.00 H new ATOM 0 HD12 LEU A 46 6.021 1.478 3.767 1.00 0.00 H new ATOM 0 HD13 LEU A 46 5.017 2.179 2.476 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.793 5.103 3.058 1.00 0.00 H new ATOM 0 HD22 LEU A 46 4.121 4.564 2.774 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.530 5.447 4.264 1.00 0.00 H new ATOM 687 N GLU A 47 3.994 3.669 8.029 1.00 0.00 N ATOM 688 CA GLU A 47 4.495 4.569 9.061 1.00 0.00 C ATOM 689 C GLU A 47 5.251 3.796 10.138 1.00 0.00 C ATOM 690 O GLU A 47 6.351 4.179 10.537 1.00 0.00 O ATOM 691 CB GLU A 47 3.341 5.350 9.692 1.00 0.00 C ATOM 692 CG GLU A 47 2.953 6.597 8.916 1.00 0.00 C ATOM 693 CD GLU A 47 3.869 7.771 9.202 1.00 0.00 C ATOM 694 OE1 GLU A 47 5.090 7.638 8.975 1.00 0.00 O ATOM 695 OE2 GLU A 47 3.366 8.821 9.653 1.00 0.00 O ATOM 0 H GLU A 47 2.977 3.616 7.972 1.00 0.00 H new ATOM 0 HA GLU A 47 5.184 5.271 8.591 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.472 4.697 9.771 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.619 5.636 10.707 1.00 0.00 H new ATOM 0 HG2 GLU A 47 2.973 6.377 7.849 1.00 0.00 H new ATOM 0 HG3 GLU A 47 1.928 6.871 9.166 1.00 0.00 H new ATOM 702 N LYS A 48 4.652 2.706 10.605 1.00 0.00 N ATOM 703 CA LYS A 48 5.266 1.877 11.635 1.00 0.00 C ATOM 704 C LYS A 48 6.670 1.446 11.222 1.00 0.00 C ATOM 705 O LYS A 48 7.577 1.370 12.052 1.00 0.00 O ATOM 706 CB LYS A 48 4.402 0.644 11.909 1.00 0.00 C ATOM 707 CG LYS A 48 3.430 0.826 13.061 1.00 0.00 C ATOM 708 CD LYS A 48 2.099 1.384 12.584 1.00 0.00 C ATOM 709 CE LYS A 48 1.122 0.272 12.233 1.00 0.00 C ATOM 710 NZ LYS A 48 -0.276 0.623 12.608 1.00 0.00 N ATOM 0 H LYS A 48 3.741 2.376 10.286 1.00 0.00 H new ATOM 0 HA LYS A 48 5.341 2.470 12.546 1.00 0.00 H new ATOM 0 HB2 LYS A 48 3.842 0.396 11.008 1.00 0.00 H new ATOM 0 HB3 LYS A 48 5.052 -0.204 12.124 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.268 -0.131 13.556 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.863 1.499 13.801 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.669 2.016 13.361 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.260 2.017 11.711 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.171 0.070 11.163 1.00 0.00 H new ATOM 0 HE3 LYS A 48 1.416 -0.645 12.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -0.938 0.156 11.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -0.465 0.305 13.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -0.403 1.654 12.550 1.00 0.00 H new ATOM 724 N LEU A 49 6.842 1.166 9.935 1.00 0.00 N ATOM 725 CA LEU A 49 8.137 0.744 9.411 1.00 0.00 C ATOM 726 C LEU A 49 9.061 1.941 9.214 1.00 0.00 C ATOM 727 O LEU A 49 10.207 1.935 9.667 1.00 0.00 O ATOM 728 CB LEU A 49 7.955 0.002 8.085 1.00 0.00 C ATOM 729 CG LEU A 49 7.103 -1.266 8.137 1.00 0.00 C ATOM 730 CD1 LEU A 49 6.754 -1.733 6.732 1.00 0.00 C ATOM 731 CD2 LEU A 49 7.827 -2.365 8.902 1.00 0.00 C ATOM 0 H LEU A 49 6.102 1.223 9.235 1.00 0.00 H new ATOM 0 HA LEU A 49 8.594 0.072 10.137 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.506 0.688 7.366 1.00 0.00 H new ATOM 0 HB3 LEU A 49 8.940 -0.262 7.701 1.00 0.00 H new ATOM 0 HG LEU A 49 6.176 -1.036 8.662 1.00 0.00 H new ATOM 0 HD11 LEU A 49 6.147 -2.637 6.789 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.194 -0.952 6.218 1.00 0.00 H new ATOM 0 HD13 LEU A 49 7.670 -1.945 6.181 1.00 0.00 H new ATOM 0 HD21 LEU A 49 7.205 -3.260 8.929 1.00 0.00 H new ATOM 0 HD22 LEU A 49 8.770 -2.593 8.406 1.00 0.00 H new ATOM 0 HD23 LEU A 49 8.025 -2.030 9.920 1.00 0.00 H new ATOM 743 N LEU A 50 8.556 2.967 8.538 1.00 0.00 N ATOM 744 CA LEU A 50 9.336 4.173 8.283 1.00 0.00 C ATOM 745 C LEU A 50 9.796 4.810 9.591 1.00 0.00 C ATOM 746 O LEU A 50 10.857 5.431 9.650 1.00 0.00 O ATOM 747 CB LEU A 50 8.510 5.177 7.476 1.00 0.00 C ATOM 748 CG LEU A 50 9.298 6.101 6.547 1.00 0.00 C ATOM 749 CD1 LEU A 50 8.444 6.520 5.361 1.00 0.00 C ATOM 750 CD2 LEU A 50 9.796 7.322 7.306 1.00 0.00 C ATOM 0 H LEU A 50 7.610 2.988 8.157 1.00 0.00 H new ATOM 0 HA LEU A 50 10.218 3.891 7.707 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.786 4.624 6.877 1.00 0.00 H new ATOM 0 HB3 LEU A 50 7.942 5.794 8.173 1.00 0.00 H new ATOM 0 HG LEU A 50 10.163 5.555 6.171 1.00 0.00 H new ATOM 0 HD11 LEU A 50 9.022 7.177 4.711 1.00 0.00 H new ATOM 0 HD12 LEU A 50 8.138 5.635 4.803 1.00 0.00 H new ATOM 0 HD13 LEU A 50 7.560 7.048 5.718 1.00 0.00 H new ATOM 0 HD21 LEU A 50 10.355 7.968 6.629 1.00 0.00 H new ATOM 0 HD22 LEU A 50 8.946 7.870 7.712 1.00 0.00 H new ATOM 0 HD23 LEU A 50 10.445 7.004 8.122 1.00 0.00 H new ATOM 762 N ALA A 51 8.992 4.650 10.636 1.00 0.00 N ATOM 763 CA ALA A 51 9.318 5.206 11.944 1.00 0.00 C ATOM 764 C ALA A 51 10.582 4.568 12.511 1.00 0.00 C ATOM 765 O ALA A 51 11.558 5.257 12.807 1.00 0.00 O ATOM 766 CB ALA A 51 8.153 5.017 12.903 1.00 0.00 C ATOM 0 H ALA A 51 8.109 4.140 10.603 1.00 0.00 H new ATOM 0 HA ALA A 51 9.504 6.273 11.822 1.00 0.00 H new ATOM 0 HB1 ALA A 51 8.410 5.437 13.875 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.272 5.525 12.510 1.00 0.00 H new ATOM 0 HB3 ALA A 51 7.940 3.954 13.012 1.00 0.00 H new ATOM 772 N SER A 52 10.556 3.247 12.661 1.00 0.00 N ATOM 773 CA SER A 52 11.699 2.517 13.198 1.00 0.00 C ATOM 774 C SER A 52 12.899 2.621 12.262 1.00 0.00 C ATOM 775 O SER A 52 14.032 2.806 12.706 1.00 0.00 O ATOM 776 CB SER A 52 11.334 1.047 13.417 1.00 0.00 C ATOM 777 OG SER A 52 12.402 0.342 14.026 1.00 0.00 O ATOM 0 H SER A 52 9.757 2.661 12.419 1.00 0.00 H new ATOM 0 HA SER A 52 11.968 2.964 14.155 1.00 0.00 H new ATOM 0 HB2 SER A 52 10.445 0.979 14.044 1.00 0.00 H new ATOM 0 HB3 SER A 52 11.086 0.584 12.462 1.00 0.00 H new ATOM 0 HG SER A 52 12.144 -0.594 14.157 1.00 0.00 H new ATOM 783 N SER A 53 12.641 2.501 10.964 1.00 0.00 N ATOM 784 CA SER A 53 13.699 2.578 9.963 1.00 0.00 C ATOM 785 C SER A 53 14.524 3.849 10.142 1.00 0.00 C ATOM 786 O SER A 53 14.327 4.600 11.097 1.00 0.00 O ATOM 787 CB SER A 53 13.103 2.537 8.555 1.00 0.00 C ATOM 788 OG SER A 53 12.763 3.838 8.107 1.00 0.00 O ATOM 0 H SER A 53 11.708 2.350 10.580 1.00 0.00 H new ATOM 0 HA SER A 53 14.355 1.718 10.097 1.00 0.00 H new ATOM 0 HB2 SER A 53 13.819 2.087 7.867 1.00 0.00 H new ATOM 0 HB3 SER A 53 12.216 1.904 8.551 1.00 0.00 H new ATOM 0 HG SER A 53 12.827 3.874 7.130 1.00 0.00 H new ATOM 794 N ILE A 54 15.449 4.081 9.217 1.00 0.00 N ATOM 795 CA ILE A 54 16.303 5.261 9.271 1.00 0.00 C ATOM 796 C ILE A 54 16.012 6.205 8.109 1.00 0.00 C ATOM 797 O ILE A 54 15.747 7.389 8.310 1.00 0.00 O ATOM 798 CB ILE A 54 17.795 4.877 9.244 1.00 0.00 C ATOM 799 CG1 ILE A 54 18.667 6.134 9.250 1.00 0.00 C ATOM 800 CG2 ILE A 54 18.099 4.021 8.024 1.00 0.00 C ATOM 801 CD1 ILE A 54 19.101 6.561 10.635 1.00 0.00 C ATOM 0 H ILE A 54 15.626 3.468 8.421 1.00 0.00 H new ATOM 0 HA ILE A 54 16.082 5.767 10.211 1.00 0.00 H new ATOM 0 HB ILE A 54 18.022 4.295 10.137 1.00 0.00 H new ATOM 0 HG12 ILE A 54 19.552 5.955 8.639 1.00 0.00 H new ATOM 0 HG13 ILE A 54 18.117 6.951 8.782 1.00 0.00 H new ATOM 0 HG21 ILE A 54 19.157 3.758 8.019 1.00 0.00 H new ATOM 0 HG22 ILE A 54 17.499 3.112 8.059 1.00 0.00 H new ATOM 0 HG23 ILE A 54 17.860 4.579 7.119 1.00 0.00 H new ATOM 0 HD11 ILE A 54 19.716 7.458 10.563 1.00 0.00 H new ATOM 0 HD12 ILE A 54 18.221 6.772 11.243 1.00 0.00 H new ATOM 0 HD13 ILE A 54 19.679 5.761 11.098 1.00 0.00 H new ATOM 813 N ASN A 55 16.060 5.670 6.893 1.00 0.00 N ATOM 814 CA ASN A 55 15.800 6.465 5.698 1.00 0.00 C ATOM 815 C ASN A 55 14.835 5.742 4.763 1.00 0.00 C ATOM 816 O ASN A 55 13.966 6.361 4.152 1.00 0.00 O ATOM 817 CB ASN A 55 17.109 6.766 4.965 1.00 0.00 C ATOM 818 CG ASN A 55 18.157 7.372 5.878 1.00 0.00 C ATOM 819 OD1 ASN A 55 18.031 8.518 6.310 1.00 0.00 O ATOM 820 ND2 ASN A 55 19.198 6.603 6.176 1.00 0.00 N ATOM 0 H ASN A 55 16.276 4.690 6.709 1.00 0.00 H new ATOM 0 HA ASN A 55 15.342 7.404 6.009 1.00 0.00 H new ATOM 0 HB2 ASN A 55 17.499 5.846 4.530 1.00 0.00 H new ATOM 0 HB3 ASN A 55 16.911 7.450 4.140 1.00 0.00 H new ATOM 0 HD21 ASN A 55 19.935 6.956 6.786 1.00 0.00 H new ATOM 0 HD22 ASN A 55 19.260 5.659 5.795 1.00 0.00 H new ATOM 827 N GLY A 56 14.995 4.426 4.659 1.00 0.00 N ATOM 828 CA GLY A 56 14.131 3.639 3.798 1.00 0.00 C ATOM 829 C GLY A 56 13.133 2.810 4.580 1.00 0.00 C ATOM 830 O GLY A 56 13.204 2.733 5.807 1.00 0.00 O ATOM 0 H GLY A 56 15.707 3.891 5.156 1.00 0.00 H new ATOM 0 HA2 GLY A 56 13.595 4.304 3.121 1.00 0.00 H new ATOM 0 HA3 GLY A 56 14.741 2.980 3.181 1.00 0.00 H new ATOM 834 N VAL A 57 12.197 2.187 3.870 1.00 0.00 N ATOM 835 CA VAL A 57 11.179 1.359 4.505 1.00 0.00 C ATOM 836 C VAL A 57 11.292 -0.093 4.055 1.00 0.00 C ATOM 837 O VAL A 57 10.861 -0.448 2.957 1.00 0.00 O ATOM 838 CB VAL A 57 9.762 1.874 4.192 1.00 0.00 C ATOM 839 CG1 VAL A 57 8.714 0.981 4.839 1.00 0.00 C ATOM 840 CG2 VAL A 57 9.605 3.315 4.653 1.00 0.00 C ATOM 0 H VAL A 57 12.123 2.240 2.854 1.00 0.00 H new ATOM 0 HA VAL A 57 11.349 1.417 5.580 1.00 0.00 H new ATOM 0 HB VAL A 57 9.614 1.844 3.113 1.00 0.00 H new ATOM 0 HG11 VAL A 57 7.719 1.361 4.607 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.814 -0.034 4.455 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.857 0.976 5.920 1.00 0.00 H new ATOM 0 HG21 VAL A 57 8.598 3.663 4.424 1.00 0.00 H new ATOM 0 HG22 VAL A 57 9.773 3.373 5.728 1.00 0.00 H new ATOM 0 HG23 VAL A 57 10.332 3.943 4.138 1.00 0.00 H new ATOM 850 N ARG A 58 11.873 -0.928 4.909 1.00 0.00 N ATOM 851 CA ARG A 58 12.043 -2.343 4.599 1.00 0.00 C ATOM 852 C ARG A 58 10.691 -3.034 4.456 1.00 0.00 C ATOM 853 O ARG A 58 9.933 -3.145 5.420 1.00 0.00 O ATOM 854 CB ARG A 58 12.867 -3.030 5.689 1.00 0.00 C ATOM 855 CG ARG A 58 12.867 -4.547 5.587 1.00 0.00 C ATOM 856 CD ARG A 58 13.961 -5.163 6.445 1.00 0.00 C ATOM 857 NE ARG A 58 15.292 -4.719 6.037 1.00 0.00 N ATOM 858 CZ ARG A 58 16.409 -5.367 6.346 1.00 0.00 C ATOM 859 NH1 ARG A 58 16.357 -6.482 7.060 1.00 0.00 N ATOM 860 NH2 ARG A 58 17.582 -4.900 5.939 1.00 0.00 N ATOM 0 H ARG A 58 12.234 -0.650 5.821 1.00 0.00 H new ATOM 0 HA ARG A 58 12.573 -2.420 3.650 1.00 0.00 H new ATOM 0 HB2 ARG A 58 13.895 -2.671 5.637 1.00 0.00 H new ATOM 0 HB3 ARG A 58 12.477 -2.740 6.665 1.00 0.00 H new ATOM 0 HG2 ARG A 58 11.897 -4.934 5.899 1.00 0.00 H new ATOM 0 HG3 ARG A 58 13.008 -4.843 4.547 1.00 0.00 H new ATOM 0 HD2 ARG A 58 13.795 -4.898 7.489 1.00 0.00 H new ATOM 0 HD3 ARG A 58 13.905 -6.250 6.379 1.00 0.00 H new ATOM 0 HE ARG A 58 15.367 -3.865 5.485 1.00 0.00 H new ATOM 0 HH11 ARG A 58 15.457 -6.845 7.374 1.00 0.00 H new ATOM 0 HH12 ARG A 58 17.217 -6.977 7.296 1.00 0.00 H new ATOM 0 HH21 ARG A 58 17.626 -4.043 5.388 1.00 0.00 H new ATOM 0 HH22 ARG A 58 18.440 -5.398 6.177 1.00 0.00 H new ATOM 874 N CYS A 59 10.394 -3.498 3.246 1.00 0.00 N ATOM 875 CA CYS A 59 9.133 -4.177 2.976 1.00 0.00 C ATOM 876 C CYS A 59 9.080 -5.528 3.684 1.00 0.00 C ATOM 877 O CYS A 59 9.949 -6.383 3.508 1.00 0.00 O ATOM 878 CB CYS A 59 8.947 -4.371 1.470 1.00 0.00 C ATOM 879 SG CYS A 59 7.269 -4.893 0.989 1.00 0.00 S ATOM 0 H CYS A 59 11.010 -3.416 2.437 1.00 0.00 H new ATOM 0 HA CYS A 59 8.324 -3.554 3.358 1.00 0.00 H new ATOM 0 HB2 CYS A 59 9.185 -3.436 0.962 1.00 0.00 H new ATOM 0 HB3 CYS A 59 9.662 -5.115 1.119 1.00 0.00 H new ATOM 884 N PRO A 60 8.037 -5.727 4.503 1.00 0.00 N ATOM 885 CA PRO A 60 7.845 -6.972 5.253 1.00 0.00 C ATOM 886 C PRO A 60 7.483 -8.144 4.348 1.00 0.00 C ATOM 887 O PRO A 60 7.216 -9.248 4.822 1.00 0.00 O ATOM 888 CB PRO A 60 6.683 -6.643 6.194 1.00 0.00 C ATOM 889 CG PRO A 60 5.935 -5.555 5.505 1.00 0.00 C ATOM 890 CD PRO A 60 6.964 -4.752 4.760 1.00 0.00 C ATOM 0 HA PRO A 60 8.754 -7.282 5.768 1.00 0.00 H new ATOM 0 HB2 PRO A 60 6.050 -7.514 6.361 1.00 0.00 H new ATOM 0 HB3 PRO A 60 7.044 -6.319 7.170 1.00 0.00 H new ATOM 0 HG2 PRO A 60 5.191 -5.965 4.822 1.00 0.00 H new ATOM 0 HG3 PRO A 60 5.400 -4.934 6.223 1.00 0.00 H new ATOM 0 HD2 PRO A 60 6.561 -4.344 3.833 1.00 0.00 H new ATOM 0 HD3 PRO A 60 7.321 -3.908 5.351 1.00 0.00 H new ATOM 898 N PHE A 61 7.476 -7.897 3.042 1.00 0.00 N ATOM 899 CA PHE A 61 7.146 -8.933 2.070 1.00 0.00 C ATOM 900 C PHE A 61 8.376 -9.329 1.258 1.00 0.00 C ATOM 901 O PHE A 61 8.714 -10.509 1.158 1.00 0.00 O ATOM 902 CB PHE A 61 6.037 -8.449 1.133 1.00 0.00 C ATOM 903 CG PHE A 61 4.780 -8.047 1.850 1.00 0.00 C ATOM 904 CD1 PHE A 61 4.184 -8.903 2.763 1.00 0.00 C ATOM 905 CD2 PHE A 61 4.194 -6.815 1.611 1.00 0.00 C ATOM 906 CE1 PHE A 61 3.027 -8.536 3.423 1.00 0.00 C ATOM 907 CE2 PHE A 61 3.037 -6.442 2.269 1.00 0.00 C ATOM 908 CZ PHE A 61 2.453 -7.304 3.177 1.00 0.00 C ATOM 0 H PHE A 61 7.695 -6.989 2.633 1.00 0.00 H new ATOM 0 HA PHE A 61 6.795 -9.809 2.616 1.00 0.00 H new ATOM 0 HB2 PHE A 61 6.404 -7.600 0.556 1.00 0.00 H new ATOM 0 HB3 PHE A 61 5.803 -9.240 0.421 1.00 0.00 H new ATOM 0 HD1 PHE A 61 4.629 -9.867 2.961 1.00 0.00 H new ATOM 0 HD2 PHE A 61 4.647 -6.138 0.902 1.00 0.00 H new ATOM 0 HE1 PHE A 61 2.571 -9.212 4.131 1.00 0.00 H new ATOM 0 HE2 PHE A 61 2.590 -5.478 2.074 1.00 0.00 H new ATOM 0 HZ PHE A 61 1.550 -7.015 3.693 1.00 0.00 H new ATOM 918 N CYS A 62 9.041 -8.335 0.680 1.00 0.00 N ATOM 919 CA CYS A 62 10.233 -8.577 -0.124 1.00 0.00 C ATOM 920 C CYS A 62 11.472 -7.996 0.552 1.00 0.00 C ATOM 921 O CYS A 62 12.601 -8.277 0.148 1.00 0.00 O ATOM 922 CB CYS A 62 10.066 -7.968 -1.517 1.00 0.00 C ATOM 923 SG CYS A 62 9.804 -6.165 -1.514 1.00 0.00 S ATOM 0 H CYS A 62 8.774 -7.353 0.753 1.00 0.00 H new ATOM 0 HA CYS A 62 10.364 -9.655 -0.219 1.00 0.00 H new ATOM 0 HB2 CYS A 62 10.952 -8.195 -2.109 1.00 0.00 H new ATOM 0 HB3 CYS A 62 9.221 -8.446 -2.012 1.00 0.00 H new ATOM 928 N SER A 63 11.253 -7.186 1.582 1.00 0.00 N ATOM 929 CA SER A 63 12.351 -6.563 2.312 1.00 0.00 C ATOM 930 C SER A 63 13.277 -5.811 1.361 1.00 0.00 C ATOM 931 O SER A 63 14.493 -6.009 1.374 1.00 0.00 O ATOM 932 CB SER A 63 13.142 -7.620 3.085 1.00 0.00 C ATOM 933 OG SER A 63 12.323 -8.275 4.038 1.00 0.00 O ATOM 0 H SER A 63 10.325 -6.945 1.930 1.00 0.00 H new ATOM 0 HA SER A 63 11.927 -5.849 3.018 1.00 0.00 H new ATOM 0 HB2 SER A 63 13.553 -8.352 2.390 1.00 0.00 H new ATOM 0 HB3 SER A 63 13.987 -7.150 3.589 1.00 0.00 H new ATOM 0 HG SER A 63 11.452 -7.828 4.083 1.00 0.00 H new ATOM 939 N LYS A 64 12.695 -4.948 0.537 1.00 0.00 N ATOM 940 CA LYS A 64 13.465 -4.164 -0.421 1.00 0.00 C ATOM 941 C LYS A 64 13.392 -2.676 -0.091 1.00 0.00 C ATOM 942 O LYS A 64 12.523 -1.962 -0.591 1.00 0.00 O ATOM 943 CB LYS A 64 12.952 -4.407 -1.842 1.00 0.00 C ATOM 944 CG LYS A 64 13.439 -5.711 -2.449 1.00 0.00 C ATOM 945 CD LYS A 64 12.831 -5.949 -3.822 1.00 0.00 C ATOM 946 CE LYS A 64 13.388 -7.208 -4.468 1.00 0.00 C ATOM 947 NZ LYS A 64 14.701 -6.959 -5.126 1.00 0.00 N ATOM 0 H LYS A 64 11.690 -4.773 0.513 1.00 0.00 H new ATOM 0 HA LYS A 64 14.506 -4.482 -0.358 1.00 0.00 H new ATOM 0 HB2 LYS A 64 11.862 -4.406 -1.831 1.00 0.00 H new ATOM 0 HB3 LYS A 64 13.265 -3.580 -2.479 1.00 0.00 H new ATOM 0 HG2 LYS A 64 14.526 -5.692 -2.530 1.00 0.00 H new ATOM 0 HG3 LYS A 64 13.183 -6.539 -1.788 1.00 0.00 H new ATOM 0 HD2 LYS A 64 11.748 -6.034 -3.732 1.00 0.00 H new ATOM 0 HD3 LYS A 64 13.031 -5.091 -4.463 1.00 0.00 H new ATOM 0 HE2 LYS A 64 13.502 -7.984 -3.712 1.00 0.00 H new ATOM 0 HE3 LYS A 64 12.678 -7.583 -5.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 15.047 -7.841 -5.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 14.587 -6.236 -5.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 15.386 -6.625 -4.418 1.00 0.00 H new ATOM 961 N ILE A 65 14.311 -2.216 0.752 1.00 0.00 N ATOM 962 CA ILE A 65 14.351 -0.813 1.146 1.00 0.00 C ATOM 963 C ILE A 65 13.840 0.087 0.026 1.00 0.00 C ATOM 964 O ILE A 65 14.275 -0.021 -1.120 1.00 0.00 O ATOM 965 CB ILE A 65 15.777 -0.377 1.530 1.00 0.00 C ATOM 966 CG1 ILE A 65 16.386 -1.366 2.525 1.00 0.00 C ATOM 967 CG2 ILE A 65 15.762 1.028 2.112 1.00 0.00 C ATOM 968 CD1 ILE A 65 15.532 -1.591 3.753 1.00 0.00 C ATOM 0 H ILE A 65 15.037 -2.794 1.175 1.00 0.00 H new ATOM 0 HA ILE A 65 13.702 -0.710 2.016 1.00 0.00 H new ATOM 0 HB ILE A 65 16.394 -0.370 0.631 1.00 0.00 H new ATOM 0 HG12 ILE A 65 16.546 -2.321 2.024 1.00 0.00 H new ATOM 0 HG13 ILE A 65 17.365 -1.000 2.835 1.00 0.00 H new ATOM 0 HG21 ILE A 65 16.777 1.322 2.379 1.00 0.00 H new ATOM 0 HG22 ILE A 65 15.365 1.724 1.373 1.00 0.00 H new ATOM 0 HG23 ILE A 65 15.133 1.046 3.002 1.00 0.00 H new ATOM 0 HD11 ILE A 65 16.026 -2.303 4.414 1.00 0.00 H new ATOM 0 HD12 ILE A 65 15.393 -0.646 4.277 1.00 0.00 H new ATOM 0 HD13 ILE A 65 14.561 -1.986 3.454 1.00 0.00 H new ATOM 980 N THR A 66 12.913 0.977 0.367 1.00 0.00 N ATOM 981 CA THR A 66 12.342 1.897 -0.609 1.00 0.00 C ATOM 982 C THR A 66 13.197 3.152 -0.747 1.00 0.00 C ATOM 983 O THR A 66 13.209 3.793 -1.798 1.00 0.00 O ATOM 984 CB THR A 66 10.908 2.307 -0.223 1.00 0.00 C ATOM 985 OG1 THR A 66 10.129 1.143 0.071 1.00 0.00 O ATOM 986 CG2 THR A 66 10.250 3.094 -1.346 1.00 0.00 C ATOM 0 H THR A 66 12.542 1.080 1.311 1.00 0.00 H new ATOM 0 HA THR A 66 12.317 1.370 -1.563 1.00 0.00 H new ATOM 0 HB THR A 66 10.960 2.942 0.662 1.00 0.00 H new ATOM 0 HG1 THR A 66 9.941 1.110 1.032 1.00 0.00 H new ATOM 0 HG21 THR A 66 9.238 3.373 -1.051 1.00 0.00 H new ATOM 0 HG22 THR A 66 10.830 3.994 -1.548 1.00 0.00 H new ATOM 0 HG23 THR A 66 10.209 2.480 -2.245 1.00 0.00 H new ATOM 994 N ARG A 67 13.912 3.496 0.319 1.00 0.00 N ATOM 995 CA ARG A 67 14.769 4.675 0.316 1.00 0.00 C ATOM 996 C ARG A 67 13.943 5.948 0.163 1.00 0.00 C ATOM 997 O ARG A 67 14.197 6.761 -0.726 1.00 0.00 O ATOM 998 CB ARG A 67 15.796 4.581 -0.814 1.00 0.00 C ATOM 999 CG ARG A 67 16.731 3.389 -0.690 1.00 0.00 C ATOM 1000 CD ARG A 67 17.990 3.746 0.085 1.00 0.00 C ATOM 1001 NE ARG A 67 18.887 2.603 0.228 1.00 0.00 N ATOM 1002 CZ ARG A 67 20.195 2.716 0.429 1.00 0.00 C ATOM 1003 NH1 ARG A 67 20.755 3.915 0.512 1.00 0.00 N ATOM 1004 NH2 ARG A 67 20.946 1.629 0.550 1.00 0.00 N ATOM 0 H ARG A 67 13.915 2.975 1.196 1.00 0.00 H new ATOM 0 HA ARG A 67 15.292 4.716 1.271 1.00 0.00 H new ATOM 0 HB2 ARG A 67 15.270 4.522 -1.767 1.00 0.00 H new ATOM 0 HB3 ARG A 67 16.388 5.496 -0.832 1.00 0.00 H new ATOM 0 HG2 ARG A 67 16.214 2.570 -0.189 1.00 0.00 H new ATOM 0 HG3 ARG A 67 17.003 3.034 -1.684 1.00 0.00 H new ATOM 0 HD2 ARG A 67 18.512 4.555 -0.425 1.00 0.00 H new ATOM 0 HD3 ARG A 67 17.715 4.117 1.072 1.00 0.00 H new ATOM 0 HE ARG A 67 18.487 1.666 0.170 1.00 0.00 H new ATOM 0 HH11 ARG A 67 20.181 4.753 0.421 1.00 0.00 H new ATOM 0 HH12 ARG A 67 21.760 3.999 0.666 1.00 0.00 H new ATOM 0 HH21 ARG A 67 20.519 0.705 0.489 1.00 0.00 H new ATOM 0 HH22 ARG A 67 21.950 1.718 0.704 1.00 0.00 H new ATOM 1018 N ILE A 68 12.954 6.114 1.035 1.00 0.00 N ATOM 1019 CA ILE A 68 12.091 7.288 0.997 1.00 0.00 C ATOM 1020 C ILE A 68 11.889 7.868 2.393 1.00 0.00 C ATOM 1021 O ILE A 68 11.151 7.313 3.207 1.00 0.00 O ATOM 1022 CB ILE A 68 10.716 6.957 0.387 1.00 0.00 C ATOM 1023 CG1 ILE A 68 10.167 5.661 0.986 1.00 0.00 C ATOM 1024 CG2 ILE A 68 10.822 6.844 -1.127 1.00 0.00 C ATOM 1025 CD1 ILE A 68 8.663 5.658 1.146 1.00 0.00 C ATOM 0 H ILE A 68 12.731 5.450 1.776 1.00 0.00 H new ATOM 0 HA ILE A 68 12.590 8.026 0.369 1.00 0.00 H new ATOM 0 HB ILE A 68 10.025 7.766 0.624 1.00 0.00 H new ATOM 0 HG12 ILE A 68 10.458 4.825 0.350 1.00 0.00 H new ATOM 0 HG13 ILE A 68 10.628 5.497 1.960 1.00 0.00 H new ATOM 0 HG21 ILE A 68 9.842 6.610 -1.544 1.00 0.00 H new ATOM 0 HG22 ILE A 68 11.175 7.790 -1.539 1.00 0.00 H new ATOM 0 HG23 ILE A 68 11.525 6.052 -1.384 1.00 0.00 H new ATOM 0 HD11 ILE A 68 8.345 4.708 1.576 1.00 0.00 H new ATOM 0 HD12 ILE A 68 8.366 6.473 1.806 1.00 0.00 H new ATOM 0 HD13 ILE A 68 8.193 5.791 0.171 1.00 0.00 H new ATOM 1037 N THR A 69 12.549 8.990 2.663 1.00 0.00 N ATOM 1038 CA THR A 69 12.442 9.646 3.960 1.00 0.00 C ATOM 1039 C THR A 69 11.008 10.083 4.238 1.00 0.00 C ATOM 1040 O THR A 69 10.575 10.126 5.390 1.00 0.00 O ATOM 1041 CB THR A 69 13.367 10.875 4.045 1.00 0.00 C ATOM 1042 OG1 THR A 69 13.189 11.535 5.304 1.00 0.00 O ATOM 1043 CG2 THR A 69 13.080 11.848 2.912 1.00 0.00 C ATOM 0 H THR A 69 13.163 9.463 2.000 1.00 0.00 H new ATOM 0 HA THR A 69 12.749 8.917 4.710 1.00 0.00 H new ATOM 0 HB THR A 69 14.398 10.533 3.956 1.00 0.00 H new ATOM 0 HG1 THR A 69 13.781 12.314 5.351 1.00 0.00 H new ATOM 0 HG21 THR A 69 13.745 12.708 2.993 1.00 0.00 H new ATOM 0 HG22 THR A 69 13.244 11.351 1.956 1.00 0.00 H new ATOM 0 HG23 THR A 69 12.045 12.183 2.974 1.00 0.00 H new ATOM 1051 N SER A 70 10.276 10.404 3.177 1.00 0.00 N ATOM 1052 CA SER A 70 8.891 10.841 3.308 1.00 0.00 C ATOM 1053 C SER A 70 7.930 9.743 2.860 1.00 0.00 C ATOM 1054 O SER A 70 8.342 8.749 2.260 1.00 0.00 O ATOM 1055 CB SER A 70 8.653 12.109 2.486 1.00 0.00 C ATOM 1056 OG SER A 70 7.630 12.905 3.059 1.00 0.00 O ATOM 0 H SER A 70 10.619 10.370 2.217 1.00 0.00 H new ATOM 0 HA SER A 70 8.703 11.058 4.359 1.00 0.00 H new ATOM 0 HB2 SER A 70 9.576 12.686 2.426 1.00 0.00 H new ATOM 0 HB3 SER A 70 8.379 11.839 1.466 1.00 0.00 H new ATOM 0 HG SER A 70 7.499 13.710 2.516 1.00 0.00 H new ATOM 1062 N LEU A 71 6.649 9.930 3.155 1.00 0.00 N ATOM 1063 CA LEU A 71 5.628 8.957 2.783 1.00 0.00 C ATOM 1064 C LEU A 71 5.140 9.197 1.358 1.00 0.00 C ATOM 1065 O LEU A 71 4.603 8.295 0.713 1.00 0.00 O ATOM 1066 CB LEU A 71 4.450 9.027 3.756 1.00 0.00 C ATOM 1067 CG LEU A 71 4.786 8.822 5.234 1.00 0.00 C ATOM 1068 CD1 LEU A 71 3.591 9.169 6.107 1.00 0.00 C ATOM 1069 CD2 LEU A 71 5.233 7.389 5.485 1.00 0.00 C ATOM 0 H LEU A 71 6.292 10.747 3.651 1.00 0.00 H new ATOM 0 HA LEU A 71 6.073 7.963 2.832 1.00 0.00 H new ATOM 0 HB2 LEU A 71 3.970 9.999 3.645 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.718 8.275 3.463 1.00 0.00 H new ATOM 0 HG LEU A 71 5.607 9.490 5.496 1.00 0.00 H new ATOM 0 HD11 LEU A 71 3.850 9.017 7.155 1.00 0.00 H new ATOM 0 HD12 LEU A 71 3.315 10.212 5.949 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.750 8.528 5.844 1.00 0.00 H new ATOM 0 HD21 LEU A 71 5.468 7.261 6.542 1.00 0.00 H new ATOM 0 HD22 LEU A 71 4.432 6.704 5.206 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.119 7.174 4.888 1.00 0.00 H new ATOM 1081 N THR A 72 5.333 10.418 0.870 1.00 0.00 N ATOM 1082 CA THR A 72 4.914 10.777 -0.479 1.00 0.00 C ATOM 1083 C THR A 72 6.014 10.485 -1.493 1.00 0.00 C ATOM 1084 O THR A 72 5.742 10.276 -2.675 1.00 0.00 O ATOM 1085 CB THR A 72 4.529 12.266 -0.571 1.00 0.00 C ATOM 1086 OG1 THR A 72 3.952 12.545 -1.851 1.00 0.00 O ATOM 1087 CG2 THR A 72 5.746 13.153 -0.353 1.00 0.00 C ATOM 0 H THR A 72 5.777 11.175 1.389 1.00 0.00 H new ATOM 0 HA THR A 72 4.040 10.168 -0.710 1.00 0.00 H new ATOM 0 HB THR A 72 3.799 12.479 0.210 1.00 0.00 H new ATOM 0 HG1 THR A 72 3.709 13.493 -1.901 1.00 0.00 H new ATOM 0 HG21 THR A 72 5.450 14.200 -0.422 1.00 0.00 H new ATOM 0 HG22 THR A 72 6.165 12.959 0.634 1.00 0.00 H new ATOM 0 HG23 THR A 72 6.495 12.936 -1.114 1.00 0.00 H new ATOM 1095 N GLN A 73 7.257 10.470 -1.022 1.00 0.00 N ATOM 1096 CA GLN A 73 8.399 10.203 -1.889 1.00 0.00 C ATOM 1097 C GLN A 73 8.171 8.942 -2.716 1.00 0.00 C ATOM 1098 O GLN A 73 8.294 8.960 -3.942 1.00 0.00 O ATOM 1099 CB GLN A 73 9.674 10.058 -1.058 1.00 0.00 C ATOM 1100 CG GLN A 73 10.329 11.386 -0.712 1.00 0.00 C ATOM 1101 CD GLN A 73 11.834 11.273 -0.565 1.00 0.00 C ATOM 1102 OE1 GLN A 73 12.278 10.384 0.315 1.00 0.00 O flip ATOM 1103 NE2 GLN A 73 12.589 11.978 -1.235 1.00 0.00 N flip ATOM 0 H GLN A 73 7.499 10.639 -0.046 1.00 0.00 H new ATOM 0 HA GLN A 73 8.512 11.047 -2.570 1.00 0.00 H new ATOM 0 HB2 GLN A 73 9.438 9.527 -0.136 1.00 0.00 H new ATOM 0 HB3 GLN A 73 10.387 9.443 -1.606 1.00 0.00 H new ATOM 0 HG2 GLN A 73 10.097 12.115 -1.489 1.00 0.00 H new ATOM 0 HG3 GLN A 73 9.904 11.765 0.217 1.00 0.00 H new ATOM 0 HE21 GLN A 73 12.204 12.649 -1.900 1.00 0.00 H new ATOM 0 HE22 GLN A 73 13.599 11.891 -1.125 1.00 0.00 H new ATOM 1112 N LEU A 74 7.839 7.848 -2.039 1.00 0.00 N ATOM 1113 CA LEU A 74 7.594 6.577 -2.711 1.00 0.00 C ATOM 1114 C LEU A 74 6.552 6.736 -3.814 1.00 0.00 C ATOM 1115 O LEU A 74 6.111 7.847 -4.111 1.00 0.00 O ATOM 1116 CB LEU A 74 7.128 5.526 -1.702 1.00 0.00 C ATOM 1117 CG LEU A 74 5.999 5.950 -0.763 1.00 0.00 C ATOM 1118 CD1 LEU A 74 4.692 6.089 -1.528 1.00 0.00 C ATOM 1119 CD2 LEU A 74 5.848 4.951 0.375 1.00 0.00 C ATOM 0 H LEU A 74 7.733 7.816 -1.025 1.00 0.00 H new ATOM 0 HA LEU A 74 8.529 6.248 -3.164 1.00 0.00 H new ATOM 0 HB2 LEU A 74 6.803 4.643 -2.252 1.00 0.00 H new ATOM 0 HB3 LEU A 74 7.984 5.228 -1.097 1.00 0.00 H new ATOM 0 HG LEU A 74 6.253 6.921 -0.337 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.900 6.391 -0.843 1.00 0.00 H new ATOM 0 HD12 LEU A 74 4.805 6.843 -2.307 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.433 5.133 -1.983 1.00 0.00 H new ATOM 0 HD21 LEU A 74 5.040 5.269 1.033 1.00 0.00 H new ATOM 0 HD22 LEU A 74 5.618 3.967 -0.033 1.00 0.00 H new ATOM 0 HD23 LEU A 74 6.778 4.901 0.941 1.00 0.00 H new ATOM 1131 N THR A 75 6.160 5.618 -4.417 1.00 0.00 N ATOM 1132 CA THR A 75 5.169 5.632 -5.485 1.00 0.00 C ATOM 1133 C THR A 75 3.755 5.529 -4.926 1.00 0.00 C ATOM 1134 O THR A 75 3.432 4.588 -4.200 1.00 0.00 O ATOM 1135 CB THR A 75 5.401 4.481 -6.482 1.00 0.00 C ATOM 1136 OG1 THR A 75 6.709 4.583 -7.054 1.00 0.00 O ATOM 1137 CG2 THR A 75 4.355 4.502 -7.586 1.00 0.00 C ATOM 0 H THR A 75 6.514 4.691 -4.183 1.00 0.00 H new ATOM 0 HA THR A 75 5.281 6.582 -6.007 1.00 0.00 H new ATOM 0 HB THR A 75 5.315 3.539 -5.941 1.00 0.00 H new ATOM 0 HG1 THR A 75 6.848 3.846 -7.685 1.00 0.00 H new ATOM 0 HG21 THR A 75 4.540 3.680 -8.278 1.00 0.00 H new ATOM 0 HG22 THR A 75 3.362 4.393 -7.149 1.00 0.00 H new ATOM 0 HG23 THR A 75 4.412 5.448 -8.124 1.00 0.00 H new ATOM 1145 N ASP A 76 2.916 6.500 -5.268 1.00 0.00 N ATOM 1146 CA ASP A 76 1.535 6.517 -4.801 1.00 0.00 C ATOM 1147 C ASP A 76 0.731 5.390 -5.441 1.00 0.00 C ATOM 1148 O ASP A 76 1.047 4.935 -6.539 1.00 0.00 O ATOM 1149 CB ASP A 76 0.884 7.865 -5.114 1.00 0.00 C ATOM 1150 CG ASP A 76 1.693 9.034 -4.586 1.00 0.00 C ATOM 1151 OD1 ASP A 76 1.739 9.214 -3.350 1.00 0.00 O ATOM 1152 OD2 ASP A 76 2.280 9.768 -5.407 1.00 0.00 O ATOM 0 H ASP A 76 3.168 7.286 -5.867 1.00 0.00 H new ATOM 0 HA ASP A 76 1.541 6.367 -3.721 1.00 0.00 H new ATOM 0 HB2 ASP A 76 0.765 7.966 -6.193 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -0.115 7.892 -4.680 1.00 0.00 H new ATOM 1157 N ASN A 77 -0.310 4.943 -4.746 1.00 0.00 N ATOM 1158 CA ASN A 77 -1.159 3.868 -5.246 1.00 0.00 C ATOM 1159 C ASN A 77 -2.621 4.302 -5.287 1.00 0.00 C ATOM 1160 O ASN A 77 -3.455 3.785 -4.542 1.00 0.00 O ATOM 1161 CB ASN A 77 -1.010 2.622 -4.370 1.00 0.00 C ATOM 1162 CG ASN A 77 -1.876 1.473 -4.846 1.00 0.00 C ATOM 1163 OD1 ASN A 77 -3.073 1.424 -4.562 1.00 0.00 O ATOM 1164 ND2 ASN A 77 -1.274 0.541 -5.575 1.00 0.00 N ATOM 0 H ASN A 77 -0.586 5.309 -3.835 1.00 0.00 H new ATOM 0 HA ASN A 77 -0.841 3.631 -6.261 1.00 0.00 H new ATOM 0 HB2 ASN A 77 0.034 2.308 -4.364 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -1.274 2.870 -3.342 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -1.806 -0.256 -5.924 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -0.279 0.622 -5.786 1.00 0.00 H new ATOM 1171 N LEU A 78 -2.925 5.255 -6.161 1.00 0.00 N ATOM 1172 CA LEU A 78 -4.287 5.760 -6.300 1.00 0.00 C ATOM 1173 C LEU A 78 -5.127 4.829 -7.168 1.00 0.00 C ATOM 1174 O LEU A 78 -6.224 5.185 -7.599 1.00 0.00 O ATOM 1175 CB LEU A 78 -4.272 7.165 -6.905 1.00 0.00 C ATOM 1176 CG LEU A 78 -3.393 7.353 -8.142 1.00 0.00 C ATOM 1177 CD1 LEU A 78 -1.974 7.720 -7.737 1.00 0.00 C ATOM 1178 CD2 LEU A 78 -3.397 6.094 -8.996 1.00 0.00 C ATOM 0 H LEU A 78 -2.247 5.694 -6.784 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.735 5.804 -5.307 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -5.295 7.438 -7.166 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -3.941 7.866 -6.138 1.00 0.00 H new ATOM 0 HG LEU A 78 -3.803 8.171 -8.735 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.363 7.850 -8.630 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.987 8.650 -7.168 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.554 6.924 -7.122 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -2.766 6.246 -9.872 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.012 5.257 -8.413 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.416 5.875 -9.316 1.00 0.00 H new ATOM 1190 N THR A 79 -4.605 3.632 -7.420 1.00 0.00 N ATOM 1191 CA THR A 79 -5.307 2.649 -8.236 1.00 0.00 C ATOM 1192 C THR A 79 -6.382 1.931 -7.428 1.00 0.00 C ATOM 1193 O THR A 79 -7.446 1.599 -7.949 1.00 0.00 O ATOM 1194 CB THR A 79 -4.335 1.605 -8.817 1.00 0.00 C ATOM 1195 OG1 THR A 79 -5.045 0.690 -9.659 1.00 0.00 O ATOM 1196 CG2 THR A 79 -3.634 0.839 -7.705 1.00 0.00 C ATOM 0 H THR A 79 -3.699 3.320 -7.071 1.00 0.00 H new ATOM 0 HA THR A 79 -5.775 3.194 -9.055 1.00 0.00 H new ATOM 0 HB THR A 79 -3.582 2.130 -9.405 1.00 0.00 H new ATOM 0 HG1 THR A 79 -4.420 0.030 -10.026 1.00 0.00 H new ATOM 0 HG21 THR A 79 -2.953 0.108 -8.140 1.00 0.00 H new ATOM 0 HG22 THR A 79 -3.070 1.535 -7.083 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.376 0.325 -7.094 1.00 0.00 H new ATOM 1204 N VAL A 80 -6.097 1.693 -6.151 1.00 0.00 N ATOM 1205 CA VAL A 80 -7.040 1.016 -5.270 1.00 0.00 C ATOM 1206 C VAL A 80 -8.234 1.910 -4.952 1.00 0.00 C ATOM 1207 O VAL A 80 -9.314 1.424 -4.614 1.00 0.00 O ATOM 1208 CB VAL A 80 -6.369 0.586 -3.953 1.00 0.00 C ATOM 1209 CG1 VAL A 80 -5.364 -0.528 -4.204 1.00 0.00 C ATOM 1210 CG2 VAL A 80 -5.700 1.777 -3.283 1.00 0.00 C ATOM 0 H VAL A 80 -5.220 1.960 -5.704 1.00 0.00 H new ATOM 0 HA VAL A 80 -7.386 0.128 -5.799 1.00 0.00 H new ATOM 0 HB VAL A 80 -7.138 0.204 -3.281 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -4.900 -0.819 -3.261 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -5.875 -1.388 -4.637 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.596 -0.177 -4.893 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -5.231 1.455 -2.353 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -4.942 2.190 -3.948 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -6.448 2.540 -3.067 1.00 0.00 H new ATOM 1220 N LEU A 81 -8.032 3.218 -5.063 1.00 0.00 N ATOM 1221 CA LEU A 81 -9.092 4.181 -4.788 1.00 0.00 C ATOM 1222 C LEU A 81 -10.026 4.321 -5.986 1.00 0.00 C ATOM 1223 O LEU A 81 -11.233 4.506 -5.828 1.00 0.00 O ATOM 1224 CB LEU A 81 -8.492 5.543 -4.433 1.00 0.00 C ATOM 1225 CG LEU A 81 -7.424 5.541 -3.339 1.00 0.00 C ATOM 1226 CD1 LEU A 81 -6.686 6.871 -3.311 1.00 0.00 C ATOM 1227 CD2 LEU A 81 -8.051 5.248 -1.983 1.00 0.00 C ATOM 0 H LEU A 81 -7.144 3.636 -5.341 1.00 0.00 H new ATOM 0 HA LEU A 81 -9.671 3.814 -3.941 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -8.058 5.973 -5.336 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -9.301 6.204 -4.122 1.00 0.00 H new ATOM 0 HG LEU A 81 -6.704 4.754 -3.562 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.930 6.851 -2.526 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.205 7.040 -4.274 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -7.394 7.676 -3.112 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -7.277 5.250 -1.216 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -8.793 6.013 -1.752 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -8.533 4.271 -2.009 1.00 0.00 H new ATOM 1239 N LYS A 82 -9.460 4.228 -7.184 1.00 0.00 N ATOM 1240 CA LYS A 82 -10.241 4.340 -8.410 1.00 0.00 C ATOM 1241 C LYS A 82 -9.388 4.012 -9.631 1.00 0.00 C ATOM 1242 O LYS A 82 -8.187 4.280 -9.651 1.00 0.00 O ATOM 1243 CB LYS A 82 -10.819 5.751 -8.544 1.00 0.00 C ATOM 1244 CG LYS A 82 -12.085 5.813 -9.381 1.00 0.00 C ATOM 1245 CD LYS A 82 -13.303 5.376 -8.583 1.00 0.00 C ATOM 1246 CE LYS A 82 -14.525 5.214 -9.474 1.00 0.00 C ATOM 1247 NZ LYS A 82 -14.396 4.043 -10.385 1.00 0.00 N ATOM 0 H LYS A 82 -8.462 4.075 -7.332 1.00 0.00 H new ATOM 0 HA LYS A 82 -11.059 3.622 -8.356 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -11.031 6.143 -7.550 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -10.067 6.402 -8.990 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -12.233 6.830 -9.744 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -11.975 5.174 -10.257 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -13.090 4.433 -8.080 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -13.513 6.111 -7.806 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -15.413 5.095 -8.854 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -14.667 6.119 -10.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -15.324 3.823 -10.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -13.721 4.266 -11.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -14.053 3.221 -9.848 1.00 0.00 H new ATOM 1261 N SER A 83 -10.016 3.430 -10.648 1.00 0.00 N ATOM 1262 CA SER A 83 -9.313 3.063 -11.871 1.00 0.00 C ATOM 1263 C SER A 83 -8.249 4.099 -12.219 1.00 0.00 C ATOM 1264 O SER A 83 -8.561 5.191 -12.692 1.00 0.00 O ATOM 1265 CB SER A 83 -10.302 2.922 -13.030 1.00 0.00 C ATOM 1266 OG SER A 83 -9.809 2.032 -14.016 1.00 0.00 O ATOM 0 H SER A 83 -11.010 3.203 -10.649 1.00 0.00 H new ATOM 0 HA SER A 83 -8.821 2.105 -11.704 1.00 0.00 H new ATOM 0 HB2 SER A 83 -11.258 2.559 -12.654 1.00 0.00 H new ATOM 0 HB3 SER A 83 -10.485 3.899 -13.477 1.00 0.00 H new ATOM 0 HG SER A 83 -10.460 1.958 -14.745 1.00 0.00 H new ATOM 1272 N GLY A 84 -6.989 3.748 -11.980 1.00 0.00 N ATOM 1273 CA GLY A 84 -5.897 4.658 -12.273 1.00 0.00 C ATOM 1274 C GLY A 84 -5.545 4.686 -13.747 1.00 0.00 C ATOM 1275 O GLY A 84 -5.639 3.679 -14.448 1.00 0.00 O ATOM 0 H GLY A 84 -6.705 2.850 -11.589 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -6.168 5.663 -11.948 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -5.019 4.364 -11.698 1.00 0.00 H new ATOM 1279 N PRO A 85 -5.130 5.863 -14.238 1.00 0.00 N ATOM 1280 CA PRO A 85 -4.756 6.047 -15.643 1.00 0.00 C ATOM 1281 C PRO A 85 -3.457 5.331 -15.995 1.00 0.00 C ATOM 1282 O PRO A 85 -2.444 5.492 -15.315 1.00 0.00 O ATOM 1283 CB PRO A 85 -4.582 7.562 -15.769 1.00 0.00 C ATOM 1284 CG PRO A 85 -4.250 8.021 -14.391 1.00 0.00 C ATOM 1285 CD PRO A 85 -4.995 7.105 -13.459 1.00 0.00 C ATOM 0 HA PRO A 85 -5.502 5.632 -16.321 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -3.787 7.812 -16.472 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -5.493 8.036 -16.136 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -3.176 7.971 -14.211 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -4.551 9.058 -14.242 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -4.445 6.940 -12.532 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -5.967 7.515 -13.184 1.00 0.00 H new ATOM 1293 N SER A 86 -3.493 4.539 -17.063 1.00 0.00 N ATOM 1294 CA SER A 86 -2.318 3.796 -17.503 1.00 0.00 C ATOM 1295 C SER A 86 -1.057 4.644 -17.371 1.00 0.00 C ATOM 1296 O SER A 86 -0.037 4.183 -16.859 1.00 0.00 O ATOM 1297 CB SER A 86 -2.491 3.341 -18.953 1.00 0.00 C ATOM 1298 OG SER A 86 -3.269 2.159 -19.028 1.00 0.00 O ATOM 0 H SER A 86 -4.323 4.396 -17.639 1.00 0.00 H new ATOM 0 HA SER A 86 -2.213 2.919 -16.864 1.00 0.00 H new ATOM 0 HB2 SER A 86 -2.969 4.132 -19.531 1.00 0.00 H new ATOM 0 HB3 SER A 86 -1.513 3.165 -19.401 1.00 0.00 H new ATOM 0 HG SER A 86 -3.366 1.890 -19.965 1.00 0.00 H new ATOM 1304 N SER A 87 -1.136 5.887 -17.836 1.00 0.00 N ATOM 1305 CA SER A 87 0.000 6.800 -17.774 1.00 0.00 C ATOM 1306 C SER A 87 0.053 7.509 -16.424 1.00 0.00 C ATOM 1307 O SER A 87 -0.870 7.404 -15.618 1.00 0.00 O ATOM 1308 CB SER A 87 -0.086 7.830 -18.901 1.00 0.00 C ATOM 1309 OG SER A 87 0.525 7.344 -20.084 1.00 0.00 O ATOM 0 H SER A 87 -1.974 6.285 -18.260 1.00 0.00 H new ATOM 0 HA SER A 87 0.912 6.216 -17.894 1.00 0.00 H new ATOM 0 HB2 SER A 87 -1.131 8.070 -19.100 1.00 0.00 H new ATOM 0 HB3 SER A 87 0.400 8.755 -18.590 1.00 0.00 H new ATOM 0 HG SER A 87 0.455 8.020 -20.790 1.00 0.00 H new ATOM 1315 N GLY A 88 1.143 8.231 -16.185 1.00 0.00 N ATOM 1316 CA GLY A 88 1.299 8.948 -14.932 1.00 0.00 C ATOM 1317 C GLY A 88 0.982 8.084 -13.728 1.00 0.00 C ATOM 1318 O GLY A 88 1.116 8.557 -12.600 1.00 0.00 O ATOM 0 H GLY A 88 1.921 8.333 -16.836 1.00 0.00 H new ATOM 0 HA2 GLY A 88 2.322 9.316 -14.852 1.00 0.00 H new ATOM 0 HA3 GLY A 88 0.645 9.820 -14.932 1.00 0.00 H new TER 1322 GLY A 88 HETATM 1323 ZN ZN A 201 -1.996 -1.764 6.447 1.00 0.00 ZN HETATM 1324 ZN ZN A 401 7.614 -5.460 -1.274 1.00 0.00 ZN