USER MOD reduce.3.24.130724 H: found=0, std=0, add=507, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 506 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 23 MET CE :methyl -118:sc=-0.00773 (180deg=-0.772) USER MOD Single : A 24 SER OG : rot 58:sc= 0.112 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -0.99 K(o=-0.99,f=-9.5!) USER MOD Single : A 34 CYS SG : rot -25:sc= -8.59! USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -113:sc= 0.12 USER MOD Single : A 43 HIS : no HD1:sc= -0.239 X(o=-0.24,f=-0.54) USER MOD Single : A 49 SER OG : rot -55:sc= 0.571 USER MOD Single : A 54 THR OG1 : rot -168:sc= -1.41 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 HIS : no HD1:sc= -0.646 X(o=-0.65,f=-0.28) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -0.656 K(o=-0.66,f=-2.2!) USER MOD Single : A 88 GLN :FLIP amide:sc= -2.56 F(o=-4.1!,f=-2.6) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 23 -4.320 -0.798 0.561 1.00 0.00 N ATOM 2 CA MET A 23 -3.396 0.128 1.194 1.00 0.00 C ATOM 3 C MET A 23 -2.359 0.639 0.192 1.00 0.00 C ATOM 4 O MET A 23 -1.187 0.274 0.265 1.00 0.00 O ATOM 5 CB MET A 23 -2.684 -0.575 2.352 1.00 0.00 C ATOM 6 CG MET A 23 -3.448 -0.383 3.663 1.00 0.00 C ATOM 7 SD MET A 23 -4.808 -1.536 3.752 1.00 0.00 S ATOM 8 CE MET A 23 -5.048 -1.597 5.519 1.00 0.00 C ATOM 0 HA MET A 23 -3.963 0.981 1.567 1.00 0.00 H new ATOM 0 HB2 MET A 23 -2.591 -1.639 2.134 1.00 0.00 H new ATOM 0 HB3 MET A 23 -1.673 -0.181 2.455 1.00 0.00 H new ATOM 0 HG2 MET A 23 -2.778 -0.533 4.509 1.00 0.00 H new ATOM 0 HG3 MET A 23 -3.822 0.639 3.729 1.00 0.00 H new ATOM 0 HE1 MET A 23 -4.871 -2.612 5.875 1.00 0.00 H new ATOM 0 HE2 MET A 23 -4.350 -0.915 6.005 1.00 0.00 H new ATOM 0 HE3 MET A 23 -6.070 -1.302 5.758 1.00 0.00 H new ATOM 18 N SER A 24 -2.829 1.477 -0.721 1.00 0.00 N ATOM 19 CA SER A 24 -1.957 2.043 -1.737 1.00 0.00 C ATOM 20 C SER A 24 -1.542 3.460 -1.339 1.00 0.00 C ATOM 21 O SER A 24 -2.339 4.211 -0.779 1.00 0.00 O ATOM 22 CB SER A 24 -2.642 2.055 -3.105 1.00 0.00 C ATOM 23 OG SER A 24 -1.776 2.533 -4.131 1.00 0.00 O ATOM 0 H SER A 24 -3.802 1.778 -0.778 1.00 0.00 H new ATOM 0 HA SER A 24 -1.067 1.418 -1.812 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.976 1.047 -3.352 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.532 2.683 -3.060 1.00 0.00 H new ATOM 0 HG SER A 24 -0.970 1.976 -4.165 1.00 0.00 H new ATOM 29 N ILE A 25 -0.293 3.784 -1.643 1.00 0.00 N ATOM 30 CA ILE A 25 0.238 5.098 -1.324 1.00 0.00 C ATOM 31 C ILE A 25 -0.012 6.044 -2.500 1.00 0.00 C ATOM 32 O ILE A 25 0.335 5.731 -3.638 1.00 0.00 O ATOM 33 CB ILE A 25 1.710 4.997 -0.919 1.00 0.00 C ATOM 34 CG1 ILE A 25 2.627 5.274 -2.112 1.00 0.00 C ATOM 35 CG2 ILE A 25 2.008 3.644 -0.269 1.00 0.00 C ATOM 36 CD1 ILE A 25 2.762 6.777 -2.363 1.00 0.00 C ATOM 0 H ILE A 25 0.366 3.159 -2.107 1.00 0.00 H new ATOM 0 HA ILE A 25 -0.279 5.518 -0.461 1.00 0.00 H new ATOM 0 HB ILE A 25 1.912 5.765 -0.172 1.00 0.00 H new ATOM 0 HG12 ILE A 25 3.611 4.843 -1.927 1.00 0.00 H new ATOM 0 HG13 ILE A 25 2.228 4.787 -3.002 1.00 0.00 H new ATOM 0 HG21 ILE A 25 3.061 3.598 0.009 1.00 0.00 H new ATOM 0 HG22 ILE A 25 1.392 3.525 0.622 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.784 2.844 -0.975 1.00 0.00 H new ATOM 0 HD11 ILE A 25 3.419 6.946 -3.216 1.00 0.00 H new ATOM 0 HD12 ILE A 25 1.780 7.201 -2.572 1.00 0.00 H new ATOM 0 HD13 ILE A 25 3.184 7.257 -1.480 1.00 0.00 H new ATOM 48 N GLU A 26 -0.613 7.182 -2.185 1.00 0.00 N ATOM 49 CA GLU A 26 -0.915 8.175 -3.202 1.00 0.00 C ATOM 50 C GLU A 26 0.060 9.351 -3.100 1.00 0.00 C ATOM 51 O GLU A 26 0.725 9.523 -2.081 1.00 0.00 O ATOM 52 CB GLU A 26 -2.364 8.653 -3.090 1.00 0.00 C ATOM 53 CG GLU A 26 -3.029 8.713 -4.466 1.00 0.00 C ATOM 54 CD GLU A 26 -2.885 7.380 -5.204 1.00 0.00 C ATOM 55 OE1 GLU A 26 -2.160 7.370 -6.221 1.00 0.00 O ATOM 56 OE2 GLU A 26 -3.504 6.402 -4.733 1.00 0.00 O ATOM 0 H GLU A 26 -0.899 7.438 -1.240 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.796 7.712 -4.181 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.924 7.980 -2.441 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.391 9.639 -2.626 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.085 8.958 -4.353 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.578 9.510 -5.057 1.00 0.00 H new ATOM 63 N ILE A 27 0.112 10.129 -4.171 1.00 0.00 N ATOM 64 CA ILE A 27 0.993 11.283 -4.216 1.00 0.00 C ATOM 65 C ILE A 27 0.290 12.429 -4.945 1.00 0.00 C ATOM 66 O ILE A 27 -0.420 12.203 -5.924 1.00 0.00 O ATOM 67 CB ILE A 27 2.344 10.903 -4.826 1.00 0.00 C ATOM 68 CG1 ILE A 27 3.139 10.000 -3.880 1.00 0.00 C ATOM 69 CG2 ILE A 27 3.135 12.149 -5.228 1.00 0.00 C ATOM 70 CD1 ILE A 27 3.614 10.778 -2.651 1.00 0.00 C ATOM 0 H ILE A 27 -0.442 9.983 -5.015 1.00 0.00 H new ATOM 0 HA ILE A 27 1.212 11.634 -3.207 1.00 0.00 H new ATOM 0 HB ILE A 27 2.158 10.332 -5.736 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.519 9.160 -3.566 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.998 9.583 -4.406 1.00 0.00 H new ATOM 0 HG21 ILE A 27 4.091 11.850 -5.659 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.568 12.718 -5.964 1.00 0.00 H new ATOM 0 HG23 ILE A 27 3.311 12.768 -4.348 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.176 10.114 -1.995 1.00 0.00 H new ATOM 0 HD12 ILE A 27 4.253 11.602 -2.967 1.00 0.00 H new ATOM 0 HD13 ILE A 27 2.751 11.173 -2.115 1.00 0.00 H new ATOM 82 N ASP A 28 0.511 13.634 -4.440 1.00 0.00 N ATOM 83 CA ASP A 28 -0.093 14.816 -5.032 1.00 0.00 C ATOM 84 C ASP A 28 1.010 15.780 -5.472 1.00 0.00 C ATOM 85 O ASP A 28 1.463 16.611 -4.686 1.00 0.00 O ATOM 86 CB ASP A 28 -0.982 15.543 -4.022 1.00 0.00 C ATOM 87 CG ASP A 28 -2.450 15.679 -4.433 1.00 0.00 C ATOM 88 OD1 ASP A 28 -2.792 15.133 -5.504 1.00 0.00 O ATOM 89 OD2 ASP A 28 -3.196 16.327 -3.667 1.00 0.00 O ATOM 0 H ASP A 28 1.100 13.817 -3.628 1.00 0.00 H new ATOM 0 HA ASP A 28 -0.698 14.498 -5.881 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -0.934 15.013 -3.071 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -0.574 16.539 -3.852 1.00 0.00 H new ATOM 94 N SER A 29 1.410 15.638 -6.727 1.00 0.00 N ATOM 95 CA SER A 29 2.451 16.487 -7.282 1.00 0.00 C ATOM 96 C SER A 29 1.906 17.897 -7.519 1.00 0.00 C ATOM 97 O SER A 29 2.451 18.872 -7.004 1.00 0.00 O ATOM 98 CB SER A 29 3.001 15.904 -8.585 1.00 0.00 C ATOM 99 OG SER A 29 4.424 15.835 -8.580 1.00 0.00 O ATOM 0 H SER A 29 1.032 14.948 -7.376 1.00 0.00 H new ATOM 0 HA SER A 29 3.270 16.537 -6.564 1.00 0.00 H new ATOM 0 HB2 SER A 29 2.590 14.906 -8.737 1.00 0.00 H new ATOM 0 HB3 SER A 29 2.671 16.516 -9.424 1.00 0.00 H new ATOM 0 HG SER A 29 4.736 15.456 -9.428 1.00 0.00 H new ATOM 105 N GLU A 30 0.837 17.960 -8.299 1.00 0.00 N ATOM 106 CA GLU A 30 0.212 19.234 -8.610 1.00 0.00 C ATOM 107 C GLU A 30 -0.103 20.000 -7.323 1.00 0.00 C ATOM 108 O GLU A 30 0.257 21.168 -7.188 1.00 0.00 O ATOM 109 CB GLU A 30 -1.050 19.035 -9.452 1.00 0.00 C ATOM 110 CG GLU A 30 -0.943 19.779 -10.785 1.00 0.00 C ATOM 111 CD GLU A 30 -2.246 20.512 -11.109 1.00 0.00 C ATOM 112 OE1 GLU A 30 -3.196 19.820 -11.534 1.00 0.00 O ATOM 113 OE2 GLU A 30 -2.263 21.748 -10.924 1.00 0.00 O ATOM 0 H GLU A 30 0.388 17.149 -8.725 1.00 0.00 H new ATOM 0 HA GLU A 30 0.913 19.825 -9.199 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.205 17.972 -9.636 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -1.920 19.393 -8.901 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -0.121 20.493 -10.742 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -0.711 19.073 -11.582 1.00 0.00 H new ATOM 120 N GLN A 31 -0.771 19.310 -6.411 1.00 0.00 N ATOM 121 CA GLN A 31 -1.139 19.910 -5.140 1.00 0.00 C ATOM 122 C GLN A 31 0.097 20.069 -4.251 1.00 0.00 C ATOM 123 O GLN A 31 0.156 20.974 -3.421 1.00 0.00 O ATOM 124 CB GLN A 31 -2.218 19.086 -4.436 1.00 0.00 C ATOM 125 CG GLN A 31 -3.555 19.188 -5.174 1.00 0.00 C ATOM 126 CD GLN A 31 -3.658 18.125 -6.270 1.00 0.00 C ATOM 127 OE1 GLN A 31 -2.702 17.445 -6.603 1.00 0.00 O ATOM 128 NE2 GLN A 31 -4.870 18.020 -6.808 1.00 0.00 N ATOM 0 H GLN A 31 -1.067 18.341 -6.527 1.00 0.00 H new ATOM 0 HA GLN A 31 -1.553 20.899 -5.334 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -1.907 18.043 -4.382 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -2.337 19.436 -3.411 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -4.375 19.067 -4.467 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -3.657 20.180 -5.614 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -5.627 18.621 -6.482 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -5.043 17.338 -7.547 1.00 0.00 H new ATOM 137 N GLY A 32 1.052 19.174 -4.456 1.00 0.00 N ATOM 138 CA GLY A 32 2.283 19.203 -3.683 1.00 0.00 C ATOM 139 C GLY A 32 2.061 18.640 -2.278 1.00 0.00 C ATOM 140 O GLY A 32 2.316 19.321 -1.285 1.00 0.00 O ATOM 0 H GLY A 32 0.999 18.424 -5.146 1.00 0.00 H new ATOM 0 HA2 GLY A 32 3.051 18.623 -4.194 1.00 0.00 H new ATOM 0 HA3 GLY A 32 2.650 20.227 -3.615 1.00 0.00 H new ATOM 144 N VAL A 33 1.589 17.403 -2.238 1.00 0.00 N ATOM 145 CA VAL A 33 1.331 16.741 -0.971 1.00 0.00 C ATOM 146 C VAL A 33 1.251 15.229 -1.197 1.00 0.00 C ATOM 147 O VAL A 33 1.280 14.766 -2.336 1.00 0.00 O ATOM 148 CB VAL A 33 0.068 17.316 -0.328 1.00 0.00 C ATOM 149 CG1 VAL A 33 -1.017 16.245 -0.196 1.00 0.00 C ATOM 150 CG2 VAL A 33 0.383 17.948 1.029 1.00 0.00 C ATOM 0 H VAL A 33 1.378 16.842 -3.063 1.00 0.00 H new ATOM 0 HA VAL A 33 2.148 16.923 -0.272 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.314 18.100 -0.982 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.904 16.680 0.264 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.272 15.862 -1.184 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.649 15.429 0.426 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.532 18.349 1.465 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.801 17.192 1.694 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.105 18.754 0.896 1.00 0.00 H new ATOM 160 N CYS A 34 1.153 14.503 -0.094 1.00 0.00 N ATOM 161 CA CYS A 34 1.069 13.053 -0.157 1.00 0.00 C ATOM 162 C CYS A 34 -0.163 12.609 0.633 1.00 0.00 C ATOM 163 O CYS A 34 -0.488 13.193 1.665 1.00 0.00 O ATOM 164 CB CYS A 34 2.347 12.390 0.358 1.00 0.00 C ATOM 165 SG CYS A 34 2.954 13.269 1.844 1.00 0.00 S ATOM 0 H CYS A 34 1.130 14.891 0.849 1.00 0.00 H new ATOM 0 HA CYS A 34 0.967 12.736 -1.195 1.00 0.00 H new ATOM 0 HB2 CYS A 34 2.153 11.345 0.598 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.111 12.402 -0.419 1.00 0.00 H new ATOM 0 HG CYS A 34 2.534 14.499 1.823 1.00 0.00 H new ATOM 171 N SER A 35 -0.817 11.577 0.117 1.00 0.00 N ATOM 172 CA SER A 35 -2.006 11.047 0.762 1.00 0.00 C ATOM 173 C SER A 35 -2.062 9.528 0.589 1.00 0.00 C ATOM 174 O SER A 35 -2.074 9.028 -0.535 1.00 0.00 O ATOM 175 CB SER A 35 -3.273 11.693 0.196 1.00 0.00 C ATOM 176 OG SER A 35 -3.342 11.581 -1.223 1.00 0.00 O ATOM 0 H SER A 35 -0.545 11.095 -0.740 1.00 0.00 H new ATOM 0 HA SER A 35 -1.953 11.283 1.825 1.00 0.00 H new ATOM 0 HB2 SER A 35 -4.150 11.221 0.640 1.00 0.00 H new ATOM 0 HB3 SER A 35 -3.300 12.745 0.478 1.00 0.00 H new ATOM 0 HG SER A 35 -4.165 12.004 -1.545 1.00 0.00 H new ATOM 182 N VAL A 36 -2.096 8.837 1.718 1.00 0.00 N ATOM 183 CA VAL A 36 -2.150 7.385 1.706 1.00 0.00 C ATOM 184 C VAL A 36 -3.603 6.932 1.866 1.00 0.00 C ATOM 185 O VAL A 36 -4.416 7.639 2.459 1.00 0.00 O ATOM 186 CB VAL A 36 -1.225 6.817 2.784 1.00 0.00 C ATOM 187 CG1 VAL A 36 -1.669 7.264 4.178 1.00 0.00 C ATOM 188 CG2 VAL A 36 -1.150 5.292 2.694 1.00 0.00 C ATOM 0 H VAL A 36 -2.087 9.256 2.648 1.00 0.00 H new ATOM 0 HA VAL A 36 -1.791 6.998 0.752 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.224 7.212 2.609 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.995 6.847 4.926 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.646 8.352 4.236 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.683 6.912 4.367 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.486 4.914 3.471 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.146 4.870 2.830 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.765 5.004 1.716 1.00 0.00 H new ATOM 198 N GLU A 37 -3.885 5.756 1.326 1.00 0.00 N ATOM 199 CA GLU A 37 -5.226 5.200 1.401 1.00 0.00 C ATOM 200 C GLU A 37 -5.266 4.046 2.405 1.00 0.00 C ATOM 201 O GLU A 37 -4.423 3.152 2.364 1.00 0.00 O ATOM 202 CB GLU A 37 -5.708 4.744 0.023 1.00 0.00 C ATOM 203 CG GLU A 37 -6.011 5.945 -0.877 1.00 0.00 C ATOM 204 CD GLU A 37 -5.493 5.710 -2.297 1.00 0.00 C ATOM 205 OE1 GLU A 37 -6.336 5.727 -3.219 1.00 0.00 O ATOM 206 OE2 GLU A 37 -4.264 5.520 -2.428 1.00 0.00 O ATOM 0 H GLU A 37 -3.208 5.172 0.835 1.00 0.00 H new ATOM 0 HA GLU A 37 -5.904 5.981 1.747 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -4.947 4.118 -0.444 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -6.603 4.131 0.131 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -7.086 6.123 -0.903 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -5.550 6.841 -0.461 1.00 0.00 H new ATOM 213 N ILE A 38 -6.256 4.104 3.284 1.00 0.00 N ATOM 214 CA ILE A 38 -6.418 3.075 4.297 1.00 0.00 C ATOM 215 C ILE A 38 -7.898 2.957 4.666 1.00 0.00 C ATOM 216 O ILE A 38 -8.358 3.592 5.614 1.00 0.00 O ATOM 217 CB ILE A 38 -5.506 3.353 5.494 1.00 0.00 C ATOM 218 CG1 ILE A 38 -4.233 4.080 5.056 1.00 0.00 C ATOM 219 CG2 ILE A 38 -5.196 2.065 6.258 1.00 0.00 C ATOM 220 CD1 ILE A 38 -3.388 4.483 6.266 1.00 0.00 C ATOM 0 H ILE A 38 -6.954 4.847 3.316 1.00 0.00 H new ATOM 0 HA ILE A 38 -6.108 2.105 3.908 1.00 0.00 H new ATOM 0 HB ILE A 38 -6.035 4.015 6.180 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.649 3.435 4.399 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.496 4.967 4.480 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -4.546 2.291 7.104 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.125 1.625 6.621 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -4.696 1.360 5.594 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -2.489 4.998 5.927 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -3.966 5.147 6.909 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -3.106 3.591 6.826 1.00 0.00 H new ATOM 232 N GLU A 39 -8.603 2.139 3.898 1.00 0.00 N ATOM 233 CA GLU A 39 -10.022 1.930 4.132 1.00 0.00 C ATOM 234 C GLU A 39 -10.691 3.242 4.546 1.00 0.00 C ATOM 235 O GLU A 39 -11.477 3.272 5.492 1.00 0.00 O ATOM 236 CB GLU A 39 -10.249 0.843 5.185 1.00 0.00 C ATOM 237 CG GLU A 39 -9.274 1.000 6.354 1.00 0.00 C ATOM 238 CD GLU A 39 -9.523 -0.067 7.422 1.00 0.00 C ATOM 239 OE1 GLU A 39 -10.703 -0.220 7.807 1.00 0.00 O ATOM 240 OE2 GLU A 39 -8.529 -0.705 7.830 1.00 0.00 O ATOM 0 H GLU A 39 -8.218 1.613 3.113 1.00 0.00 H new ATOM 0 HA GLU A 39 -10.478 1.591 3.202 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -11.274 0.896 5.552 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -10.123 -0.140 4.731 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -8.249 0.924 5.990 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -9.383 1.992 6.793 1.00 0.00 H new ATOM 247 N GLY A 40 -10.355 4.296 3.816 1.00 0.00 N ATOM 248 CA GLY A 40 -10.914 5.608 4.095 1.00 0.00 C ATOM 249 C GLY A 40 -9.906 6.486 4.839 1.00 0.00 C ATOM 250 O GLY A 40 -10.224 7.055 5.883 1.00 0.00 O ATOM 0 H GLY A 40 -9.703 4.268 3.032 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -11.202 6.090 3.161 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -11.820 5.502 4.692 1.00 0.00 H new ATOM 254 N SER A 41 -8.710 6.569 4.274 1.00 0.00 N ATOM 255 CA SER A 41 -7.654 7.368 4.871 1.00 0.00 C ATOM 256 C SER A 41 -7.632 8.762 4.240 1.00 0.00 C ATOM 257 O SER A 41 -7.901 9.756 4.912 1.00 0.00 O ATOM 258 CB SER A 41 -6.292 6.690 4.709 1.00 0.00 C ATOM 259 OG SER A 41 -5.250 7.428 5.341 1.00 0.00 O ATOM 0 H SER A 41 -8.449 6.096 3.409 1.00 0.00 H new ATOM 0 HA SER A 41 -7.858 7.462 5.938 1.00 0.00 H new ATOM 0 HB2 SER A 41 -6.334 5.687 5.133 1.00 0.00 H new ATOM 0 HB3 SER A 41 -6.066 6.579 3.648 1.00 0.00 H new ATOM 0 HG SER A 41 -4.639 7.780 4.660 1.00 0.00 H new ATOM 265 N ARG A 42 -7.308 8.789 2.955 1.00 0.00 N ATOM 266 CA ARG A 42 -7.247 10.045 2.226 1.00 0.00 C ATOM 267 C ARG A 42 -6.660 11.145 3.112 1.00 0.00 C ATOM 268 O ARG A 42 -7.132 12.281 3.092 1.00 0.00 O ATOM 269 CB ARG A 42 -8.636 10.471 1.747 1.00 0.00 C ATOM 270 CG ARG A 42 -8.880 10.025 0.304 1.00 0.00 C ATOM 271 CD ARG A 42 -10.108 10.722 -0.285 1.00 0.00 C ATOM 272 NE ARG A 42 -10.619 9.954 -1.442 1.00 0.00 N ATOM 273 CZ ARG A 42 -10.164 10.090 -2.695 1.00 0.00 C ATOM 274 NH1 ARG A 42 -9.186 10.966 -2.961 1.00 0.00 N ATOM 275 NH2 ARG A 42 -10.688 9.351 -3.682 1.00 0.00 N ATOM 0 H ARG A 42 -7.085 7.962 2.401 1.00 0.00 H new ATOM 0 HA ARG A 42 -6.606 9.894 1.357 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -9.397 10.040 2.398 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -8.732 11.554 1.818 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -8.003 10.250 -0.303 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -9.021 8.945 0.272 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -10.885 10.811 0.474 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -9.848 11.734 -0.596 1.00 0.00 H new ATOM 0 HE ARG A 42 -11.365 9.278 -1.275 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -8.788 11.529 -2.210 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -8.840 11.070 -3.915 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -11.433 8.685 -3.480 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -10.342 9.455 -4.636 1.00 0.00 H new ATOM 289 N HIS A 43 -5.638 10.770 3.867 1.00 0.00 N ATOM 290 CA HIS A 43 -4.981 11.711 4.759 1.00 0.00 C ATOM 291 C HIS A 43 -4.396 12.867 3.944 1.00 0.00 C ATOM 292 O HIS A 43 -4.638 12.969 2.742 1.00 0.00 O ATOM 293 CB HIS A 43 -3.934 11.003 5.620 1.00 0.00 C ATOM 294 CG HIS A 43 -4.333 10.848 7.068 1.00 0.00 C ATOM 295 ND1 HIS A 43 -4.981 11.843 7.778 1.00 0.00 N ATOM 296 CD2 HIS A 43 -4.170 9.803 7.930 1.00 0.00 C ATOM 297 CE1 HIS A 43 -5.193 11.407 9.011 1.00 0.00 C ATOM 298 NE2 HIS A 43 -4.689 10.143 9.104 1.00 0.00 N ATOM 0 H HIS A 43 -5.249 9.827 3.880 1.00 0.00 H new ATOM 0 HA HIS A 43 -5.710 12.132 5.451 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -3.740 10.016 5.200 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -2.999 11.561 5.569 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -3.699 8.860 7.697 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -5.680 11.956 9.804 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -4.708 9.556 9.938 1.00 0.00 H new ATOM 306 N ARG A 44 -3.638 13.709 4.631 1.00 0.00 N ATOM 307 CA ARG A 44 -3.017 14.853 3.987 1.00 0.00 C ATOM 308 C ARG A 44 -1.757 15.271 4.747 1.00 0.00 C ATOM 309 O ARG A 44 -1.837 15.718 5.890 1.00 0.00 O ATOM 310 CB ARG A 44 -3.981 16.039 3.920 1.00 0.00 C ATOM 311 CG ARG A 44 -3.540 17.046 2.856 1.00 0.00 C ATOM 312 CD ARG A 44 -4.705 17.944 2.435 1.00 0.00 C ATOM 313 NE ARG A 44 -4.734 18.076 0.961 1.00 0.00 N ATOM 314 CZ ARG A 44 -5.799 18.497 0.266 1.00 0.00 C ATOM 315 NH1 ARG A 44 -6.928 18.831 0.906 1.00 0.00 N ATOM 316 NH2 ARG A 44 -5.736 18.586 -1.070 1.00 0.00 N ATOM 0 H ARG A 44 -3.440 13.621 5.628 1.00 0.00 H new ATOM 0 HA ARG A 44 -2.752 14.558 2.972 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -4.986 15.683 3.694 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -4.028 16.529 4.892 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.726 17.658 3.245 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -3.152 16.515 1.986 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -5.646 17.523 2.789 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -4.602 18.927 2.895 1.00 0.00 H new ATOM 0 HE ARG A 44 -3.891 17.831 0.442 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -6.977 18.765 1.923 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -7.739 19.152 0.376 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -4.877 18.333 -1.558 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -6.547 18.907 -1.599 1.00 0.00 H new ATOM 330 N ALA A 45 -0.622 15.112 4.082 1.00 0.00 N ATOM 331 CA ALA A 45 0.653 15.467 4.681 1.00 0.00 C ATOM 332 C ALA A 45 1.618 15.922 3.584 1.00 0.00 C ATOM 333 O ALA A 45 1.424 15.605 2.412 1.00 0.00 O ATOM 334 CB ALA A 45 1.193 14.277 5.476 1.00 0.00 C ATOM 0 H ALA A 45 -0.559 14.742 3.134 1.00 0.00 H new ATOM 0 HA ALA A 45 0.532 16.296 5.378 1.00 0.00 H new ATOM 0 HB1 ALA A 45 2.150 14.544 5.925 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.485 14.012 6.261 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.330 13.426 4.809 1.00 0.00 H new ATOM 340 N PRO A 46 2.663 16.677 4.016 1.00 0.00 N ATOM 341 CA PRO A 46 3.659 17.179 3.084 1.00 0.00 C ATOM 342 C PRO A 46 4.605 16.062 2.638 1.00 0.00 C ATOM 343 O PRO A 46 5.081 15.282 3.461 1.00 0.00 O ATOM 344 CB PRO A 46 4.369 18.296 3.830 1.00 0.00 C ATOM 345 CG PRO A 46 4.066 18.072 5.303 1.00 0.00 C ATOM 346 CD PRO A 46 2.925 17.072 5.397 1.00 0.00 C ATOM 0 HA PRO A 46 3.219 17.553 2.160 1.00 0.00 H new ATOM 0 HB2 PRO A 46 5.443 18.269 3.644 1.00 0.00 H new ATOM 0 HB3 PRO A 46 4.013 19.273 3.502 1.00 0.00 H new ATOM 0 HG2 PRO A 46 4.948 17.695 5.821 1.00 0.00 H new ATOM 0 HG3 PRO A 46 3.791 19.011 5.783 1.00 0.00 H new ATOM 0 HD2 PRO A 46 3.201 16.213 6.009 1.00 0.00 H new ATOM 0 HD3 PRO A 46 2.043 17.520 5.855 1.00 0.00 H new ATOM 354 N VAL A 47 4.848 16.021 1.336 1.00 0.00 N ATOM 355 CA VAL A 47 5.729 15.012 0.771 1.00 0.00 C ATOM 356 C VAL A 47 7.122 15.156 1.386 1.00 0.00 C ATOM 357 O VAL A 47 7.878 14.187 1.453 1.00 0.00 O ATOM 358 CB VAL A 47 5.735 15.119 -0.755 1.00 0.00 C ATOM 359 CG1 VAL A 47 7.019 14.527 -1.341 1.00 0.00 C ATOM 360 CG2 VAL A 47 4.498 14.450 -1.357 1.00 0.00 C ATOM 0 H VAL A 47 4.451 16.670 0.656 1.00 0.00 H new ATOM 0 HA VAL A 47 5.369 14.012 1.012 1.00 0.00 H new ATOM 0 HB VAL A 47 5.704 16.177 -1.017 1.00 0.00 H new ATOM 0 HG11 VAL A 47 6.998 14.616 -2.427 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.881 15.068 -0.949 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.094 13.475 -1.064 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.527 14.541 -2.443 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.484 13.396 -1.081 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.600 14.936 -0.977 1.00 0.00 H new ATOM 370 N ASP A 48 7.420 16.371 1.821 1.00 0.00 N ATOM 371 CA ASP A 48 8.710 16.654 2.428 1.00 0.00 C ATOM 372 C ASP A 48 8.716 16.132 3.867 1.00 0.00 C ATOM 373 O ASP A 48 9.716 16.259 4.572 1.00 0.00 O ATOM 374 CB ASP A 48 8.981 18.159 2.470 1.00 0.00 C ATOM 375 CG ASP A 48 7.985 18.973 3.297 1.00 0.00 C ATOM 376 OD1 ASP A 48 7.551 18.446 4.344 1.00 0.00 O ATOM 377 OD2 ASP A 48 7.678 20.105 2.863 1.00 0.00 O ATOM 0 H ASP A 48 6.790 17.171 1.765 1.00 0.00 H new ATOM 0 HA ASP A 48 9.479 16.166 1.829 1.00 0.00 H new ATOM 0 HB2 ASP A 48 9.981 18.322 2.871 1.00 0.00 H new ATOM 0 HB3 ASP A 48 8.981 18.541 1.449 1.00 0.00 H new ATOM 382 N SER A 49 7.589 15.557 4.259 1.00 0.00 N ATOM 383 CA SER A 49 7.452 15.016 5.600 1.00 0.00 C ATOM 384 C SER A 49 7.019 13.550 5.531 1.00 0.00 C ATOM 385 O SER A 49 6.136 13.124 6.274 1.00 0.00 O ATOM 386 CB SER A 49 6.449 15.827 6.422 1.00 0.00 C ATOM 387 OG SER A 49 6.358 15.362 7.765 1.00 0.00 O ATOM 0 H SER A 49 6.762 15.454 3.671 1.00 0.00 H new ATOM 0 HA SER A 49 8.421 15.080 6.095 1.00 0.00 H new ATOM 0 HB2 SER A 49 6.744 16.876 6.421 1.00 0.00 H new ATOM 0 HB3 SER A 49 5.467 15.772 5.952 1.00 0.00 H new ATOM 0 HG SER A 49 6.147 14.405 7.766 1.00 0.00 H new ATOM 393 N LEU A 50 7.662 12.818 4.634 1.00 0.00 N ATOM 394 CA LEU A 50 7.355 11.408 4.458 1.00 0.00 C ATOM 395 C LEU A 50 8.487 10.566 5.049 1.00 0.00 C ATOM 396 O LEU A 50 9.543 11.095 5.395 1.00 0.00 O ATOM 397 CB LEU A 50 7.063 11.102 2.988 1.00 0.00 C ATOM 398 CG LEU A 50 5.776 11.704 2.420 1.00 0.00 C ATOM 399 CD1 LEU A 50 5.793 11.690 0.890 1.00 0.00 C ATOM 400 CD2 LEU A 50 4.544 10.996 2.986 1.00 0.00 C ATOM 0 H LEU A 50 8.395 13.174 4.021 1.00 0.00 H new ATOM 0 HA LEU A 50 6.446 11.146 5.000 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.902 11.458 2.390 1.00 0.00 H new ATOM 0 HB3 LEU A 50 7.020 10.020 2.864 1.00 0.00 H new ATOM 0 HG LEU A 50 5.720 12.747 2.732 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.867 12.123 0.512 1.00 0.00 H new ATOM 0 HD12 LEU A 50 6.640 12.274 0.530 1.00 0.00 H new ATOM 0 HD13 LEU A 50 5.884 10.663 0.537 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.643 11.443 2.566 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.580 9.938 2.725 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.530 11.101 4.071 1.00 0.00 H new ATOM 412 N ARG A 51 8.230 9.270 5.147 1.00 0.00 N ATOM 413 CA ARG A 51 9.214 8.350 5.689 1.00 0.00 C ATOM 414 C ARG A 51 8.884 6.915 5.276 1.00 0.00 C ATOM 415 O ARG A 51 7.722 6.511 5.297 1.00 0.00 O ATOM 416 CB ARG A 51 9.265 8.436 7.216 1.00 0.00 C ATOM 417 CG ARG A 51 10.631 8.934 7.692 1.00 0.00 C ATOM 418 CD ARG A 51 11.457 7.788 8.282 1.00 0.00 C ATOM 419 NE ARG A 51 11.513 7.911 9.756 1.00 0.00 N ATOM 420 CZ ARG A 51 12.289 7.154 10.543 1.00 0.00 C ATOM 421 NH1 ARG A 51 13.079 6.215 10.004 1.00 0.00 N ATOM 422 NH2 ARG A 51 12.275 7.335 11.871 1.00 0.00 N ATOM 0 H ARG A 51 7.353 8.835 4.860 1.00 0.00 H new ATOM 0 HA ARG A 51 10.188 8.631 5.288 1.00 0.00 H new ATOM 0 HB2 ARG A 51 8.485 9.108 7.572 1.00 0.00 H new ATOM 0 HB3 ARG A 51 9.061 7.455 7.646 1.00 0.00 H new ATOM 0 HG2 ARG A 51 11.169 9.383 6.857 1.00 0.00 H new ATOM 0 HG3 ARG A 51 10.497 9.714 8.442 1.00 0.00 H new ATOM 0 HD2 ARG A 51 11.016 6.831 8.005 1.00 0.00 H new ATOM 0 HD3 ARG A 51 12.465 7.805 7.869 1.00 0.00 H new ATOM 0 HE ARG A 51 10.924 8.616 10.200 1.00 0.00 H new ATOM 0 HH11 ARG A 51 13.090 6.076 8.994 1.00 0.00 H new ATOM 0 HH12 ARG A 51 13.669 5.639 10.604 1.00 0.00 H new ATOM 0 HH21 ARG A 51 11.674 8.049 12.282 1.00 0.00 H new ATOM 0 HH22 ARG A 51 12.866 6.759 12.471 1.00 0.00 H new ATOM 436 N ILE A 52 9.926 6.183 4.911 1.00 0.00 N ATOM 437 CA ILE A 52 9.761 4.801 4.494 1.00 0.00 C ATOM 438 C ILE A 52 10.329 3.876 5.572 1.00 0.00 C ATOM 439 O ILE A 52 11.324 4.205 6.215 1.00 0.00 O ATOM 440 CB ILE A 52 10.376 4.582 3.110 1.00 0.00 C ATOM 441 CG1 ILE A 52 9.569 5.308 2.031 1.00 0.00 C ATOM 442 CG2 ILE A 52 10.527 3.090 2.806 1.00 0.00 C ATOM 443 CD1 ILE A 52 9.791 4.669 0.658 1.00 0.00 C ATOM 0 H ILE A 52 10.888 6.521 4.895 1.00 0.00 H new ATOM 0 HA ILE A 52 8.703 4.558 4.390 1.00 0.00 H new ATOM 0 HB ILE A 52 11.377 5.013 3.109 1.00 0.00 H new ATOM 0 HG12 ILE A 52 8.509 5.278 2.283 1.00 0.00 H new ATOM 0 HG13 ILE A 52 9.860 6.358 1.999 1.00 0.00 H new ATOM 0 HG21 ILE A 52 10.966 2.963 1.817 1.00 0.00 H new ATOM 0 HG22 ILE A 52 11.175 2.630 3.552 1.00 0.00 H new ATOM 0 HG23 ILE A 52 9.548 2.612 2.832 1.00 0.00 H new ATOM 0 HD11 ILE A 52 9.206 5.203 -0.091 1.00 0.00 H new ATOM 0 HD12 ILE A 52 10.848 4.722 0.399 1.00 0.00 H new ATOM 0 HD13 ILE A 52 9.476 3.626 0.687 1.00 0.00 H new ATOM 455 N GLY A 53 9.671 2.738 5.736 1.00 0.00 N ATOM 456 CA GLY A 53 10.098 1.763 6.725 1.00 0.00 C ATOM 457 C GLY A 53 10.248 0.375 6.099 1.00 0.00 C ATOM 458 O GLY A 53 9.956 0.188 4.918 1.00 0.00 O ATOM 0 H GLY A 53 8.845 2.469 5.201 1.00 0.00 H new ATOM 0 HA2 GLY A 53 11.048 2.074 7.161 1.00 0.00 H new ATOM 0 HA3 GLY A 53 9.373 1.723 7.538 1.00 0.00 H new ATOM 462 N THR A 54 10.702 -0.563 6.917 1.00 0.00 N ATOM 463 CA THR A 54 10.894 -1.928 6.458 1.00 0.00 C ATOM 464 C THR A 54 10.255 -2.915 7.437 1.00 0.00 C ATOM 465 O THR A 54 10.415 -2.784 8.649 1.00 0.00 O ATOM 466 CB THR A 54 12.394 -2.154 6.259 1.00 0.00 C ATOM 467 OG1 THR A 54 12.789 -1.105 5.379 1.00 0.00 O ATOM 468 CG2 THR A 54 12.695 -3.432 5.475 1.00 0.00 C ATOM 0 H THR A 54 10.943 -0.404 7.895 1.00 0.00 H new ATOM 0 HA THR A 54 10.396 -2.098 5.503 1.00 0.00 H new ATOM 0 HB THR A 54 12.886 -2.201 7.231 1.00 0.00 H new ATOM 0 HG1 THR A 54 13.694 -1.281 5.046 1.00 0.00 H new ATOM 0 HG21 THR A 54 13.773 -3.544 5.362 1.00 0.00 H new ATOM 0 HG22 THR A 54 12.295 -4.292 6.013 1.00 0.00 H new ATOM 0 HG23 THR A 54 12.232 -3.372 4.490 1.00 0.00 H new ATOM 476 N ASP A 55 9.544 -3.881 6.874 1.00 0.00 N ATOM 477 CA ASP A 55 8.881 -4.890 7.682 1.00 0.00 C ATOM 478 C ASP A 55 9.595 -6.231 7.504 1.00 0.00 C ATOM 479 O ASP A 55 9.373 -6.930 6.517 1.00 0.00 O ATOM 480 CB ASP A 55 7.423 -5.070 7.252 1.00 0.00 C ATOM 481 CG ASP A 55 6.653 -6.150 8.013 1.00 0.00 C ATOM 482 OD1 ASP A 55 6.379 -5.915 9.209 1.00 0.00 O ATOM 483 OD2 ASP A 55 6.356 -7.187 7.381 1.00 0.00 O ATOM 0 H ASP A 55 9.413 -3.986 5.868 1.00 0.00 H new ATOM 0 HA ASP A 55 8.913 -4.563 8.721 1.00 0.00 H new ATOM 0 HB2 ASP A 55 6.904 -4.120 7.375 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.400 -5.310 6.189 1.00 0.00 H new ATOM 488 N ALA A 56 10.438 -6.549 8.475 1.00 0.00 N ATOM 489 CA ALA A 56 11.187 -7.794 8.438 1.00 0.00 C ATOM 490 C ALA A 56 10.226 -8.968 8.635 1.00 0.00 C ATOM 491 O ALA A 56 10.613 -10.125 8.479 1.00 0.00 O ATOM 492 CB ALA A 56 12.289 -7.759 9.499 1.00 0.00 C ATOM 0 H ALA A 56 10.619 -5.966 9.292 1.00 0.00 H new ATOM 0 HA ALA A 56 11.671 -7.922 7.470 1.00 0.00 H new ATOM 0 HB1 ALA A 56 12.851 -8.693 9.471 1.00 0.00 H new ATOM 0 HB2 ALA A 56 12.961 -6.925 9.298 1.00 0.00 H new ATOM 0 HB3 ALA A 56 11.841 -7.634 10.485 1.00 0.00 H new ATOM 498 N GLU A 57 8.990 -8.630 8.974 1.00 0.00 N ATOM 499 CA GLU A 57 7.971 -9.642 9.193 1.00 0.00 C ATOM 500 C GLU A 57 7.596 -10.313 7.871 1.00 0.00 C ATOM 501 O GLU A 57 7.314 -11.510 7.836 1.00 0.00 O ATOM 502 CB GLU A 57 6.738 -9.040 9.871 1.00 0.00 C ATOM 503 CG GLU A 57 7.006 -8.764 11.352 1.00 0.00 C ATOM 504 CD GLU A 57 6.205 -7.555 11.838 1.00 0.00 C ATOM 505 OE1 GLU A 57 6.855 -6.586 12.287 1.00 0.00 O ATOM 506 OE2 GLU A 57 4.960 -7.626 11.750 1.00 0.00 O ATOM 0 H GLU A 57 8.672 -7.669 9.102 1.00 0.00 H new ATOM 0 HA GLU A 57 8.378 -10.401 9.860 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.459 -8.113 9.369 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.894 -9.723 9.772 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.742 -9.641 11.943 1.00 0.00 H new ATOM 0 HG3 GLU A 57 8.070 -8.585 11.506 1.00 0.00 H new ATOM 513 N ALA A 58 7.606 -9.514 6.814 1.00 0.00 N ATOM 514 CA ALA A 58 7.271 -10.016 5.492 1.00 0.00 C ATOM 515 C ALA A 58 8.325 -9.544 4.490 1.00 0.00 C ATOM 516 O ALA A 58 8.111 -9.610 3.280 1.00 0.00 O ATOM 517 CB ALA A 58 5.860 -9.558 5.114 1.00 0.00 C ATOM 0 H ALA A 58 7.841 -8.522 6.846 1.00 0.00 H new ATOM 0 HA ALA A 58 7.273 -11.106 5.484 1.00 0.00 H new ATOM 0 HB1 ALA A 58 5.609 -9.934 4.122 1.00 0.00 H new ATOM 0 HB2 ALA A 58 5.145 -9.944 5.841 1.00 0.00 H new ATOM 0 HB3 ALA A 58 5.820 -8.469 5.109 1.00 0.00 H new ATOM 523 N ARG A 59 9.442 -9.078 5.029 1.00 0.00 N ATOM 524 CA ARG A 59 10.530 -8.594 4.197 1.00 0.00 C ATOM 525 C ARG A 59 9.993 -7.664 3.107 1.00 0.00 C ATOM 526 O ARG A 59 10.323 -7.822 1.933 1.00 0.00 O ATOM 527 CB ARG A 59 11.280 -9.756 3.541 1.00 0.00 C ATOM 528 CG ARG A 59 12.050 -10.569 4.583 1.00 0.00 C ATOM 529 CD ARG A 59 13.287 -11.222 3.964 1.00 0.00 C ATOM 530 NE ARG A 59 14.475 -10.955 4.806 1.00 0.00 N ATOM 531 CZ ARG A 59 15.612 -11.663 4.747 1.00 0.00 C ATOM 532 NH1 ARG A 59 15.721 -12.685 3.887 1.00 0.00 N ATOM 533 NH2 ARG A 59 16.638 -11.349 5.549 1.00 0.00 N ATOM 0 H ARG A 59 9.617 -9.025 6.033 1.00 0.00 H new ATOM 0 HA ARG A 59 11.220 -8.046 4.839 1.00 0.00 H new ATOM 0 HB2 ARG A 59 10.573 -10.402 3.020 1.00 0.00 H new ATOM 0 HB3 ARG A 59 11.971 -9.371 2.792 1.00 0.00 H new ATOM 0 HG2 ARG A 59 12.350 -9.921 5.406 1.00 0.00 H new ATOM 0 HG3 ARG A 59 11.400 -11.337 5.003 1.00 0.00 H new ATOM 0 HD2 ARG A 59 13.132 -12.297 3.869 1.00 0.00 H new ATOM 0 HD3 ARG A 59 13.449 -10.834 2.959 1.00 0.00 H new ATOM 0 HE ARG A 59 14.425 -10.184 5.472 1.00 0.00 H new ATOM 0 HH11 ARG A 59 14.939 -12.924 3.277 1.00 0.00 H new ATOM 0 HH12 ARG A 59 16.586 -13.224 3.842 1.00 0.00 H new ATOM 0 HH21 ARG A 59 16.554 -10.572 6.204 1.00 0.00 H new ATOM 0 HH22 ARG A 59 17.503 -11.887 5.505 1.00 0.00 H new ATOM 547 N LEU A 60 9.174 -6.715 3.536 1.00 0.00 N ATOM 548 CA LEU A 60 8.587 -5.759 2.612 1.00 0.00 C ATOM 549 C LEU A 60 8.716 -4.350 3.193 1.00 0.00 C ATOM 550 O LEU A 60 8.984 -4.187 4.382 1.00 0.00 O ATOM 551 CB LEU A 60 7.149 -6.155 2.272 1.00 0.00 C ATOM 552 CG LEU A 60 6.050 -5.322 2.933 1.00 0.00 C ATOM 553 CD1 LEU A 60 4.750 -5.392 2.130 1.00 0.00 C ATOM 554 CD2 LEU A 60 5.846 -5.741 4.391 1.00 0.00 C ATOM 0 H LEU A 60 8.903 -6.588 4.511 1.00 0.00 H new ATOM 0 HA LEU A 60 9.126 -5.764 1.665 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.023 -6.095 1.191 1.00 0.00 H new ATOM 0 HB3 LEU A 60 7.005 -7.198 2.552 1.00 0.00 H new ATOM 0 HG LEU A 60 6.369 -4.280 2.939 1.00 0.00 H new ATOM 0 HD11 LEU A 60 3.985 -4.791 2.622 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.922 -5.008 1.125 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.415 -6.427 2.070 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.059 -5.133 4.838 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.559 -6.792 4.431 1.00 0.00 H new ATOM 0 HD23 LEU A 60 6.774 -5.597 4.944 1.00 0.00 H new ATOM 566 N SER A 61 8.519 -3.367 2.326 1.00 0.00 N ATOM 567 CA SER A 61 8.609 -1.976 2.738 1.00 0.00 C ATOM 568 C SER A 61 7.259 -1.501 3.278 1.00 0.00 C ATOM 569 O SER A 61 6.214 -2.022 2.890 1.00 0.00 O ATOM 570 CB SER A 61 9.060 -1.086 1.579 1.00 0.00 C ATOM 571 OG SER A 61 10.372 -1.417 1.130 1.00 0.00 O ATOM 0 H SER A 61 8.297 -3.506 1.340 1.00 0.00 H new ATOM 0 HA SER A 61 9.355 -1.902 3.529 1.00 0.00 H new ATOM 0 HB2 SER A 61 8.358 -1.185 0.751 1.00 0.00 H new ATOM 0 HB3 SER A 61 9.037 -0.042 1.893 1.00 0.00 H new ATOM 0 HG SER A 61 10.622 -0.827 0.388 1.00 0.00 H new ATOM 577 N VAL A 62 7.324 -0.518 4.164 1.00 0.00 N ATOM 578 CA VAL A 62 6.119 0.033 4.760 1.00 0.00 C ATOM 579 C VAL A 62 6.090 1.546 4.535 1.00 0.00 C ATOM 580 O VAL A 62 7.048 2.119 4.020 1.00 0.00 O ATOM 581 CB VAL A 62 6.043 -0.354 6.238 1.00 0.00 C ATOM 582 CG1 VAL A 62 5.554 -1.794 6.404 1.00 0.00 C ATOM 583 CG2 VAL A 62 7.393 -0.150 6.928 1.00 0.00 C ATOM 0 H VAL A 62 8.192 -0.089 4.483 1.00 0.00 H new ATOM 0 HA VAL A 62 5.232 -0.383 4.283 1.00 0.00 H new ATOM 0 HB VAL A 62 5.318 0.303 6.719 1.00 0.00 H new ATOM 0 HG11 VAL A 62 5.509 -2.043 7.464 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.561 -1.894 5.966 1.00 0.00 H new ATOM 0 HG13 VAL A 62 6.243 -2.472 5.901 1.00 0.00 H new ATOM 0 HG21 VAL A 62 7.312 -0.432 7.978 1.00 0.00 H new ATOM 0 HG22 VAL A 62 8.147 -0.770 6.443 1.00 0.00 H new ATOM 0 HG23 VAL A 62 7.684 0.898 6.856 1.00 0.00 H new ATOM 593 N LEU A 63 4.980 2.150 4.934 1.00 0.00 N ATOM 594 CA LEU A 63 4.813 3.585 4.782 1.00 0.00 C ATOM 595 C LEU A 63 4.693 4.229 6.165 1.00 0.00 C ATOM 596 O LEU A 63 3.880 3.803 6.984 1.00 0.00 O ATOM 597 CB LEU A 63 3.635 3.893 3.856 1.00 0.00 C ATOM 598 CG LEU A 63 3.349 5.375 3.605 1.00 0.00 C ATOM 599 CD1 LEU A 63 2.229 5.551 2.577 1.00 0.00 C ATOM 600 CD2 LEU A 63 3.045 6.105 4.915 1.00 0.00 C ATOM 0 H LEU A 63 4.188 1.671 5.362 1.00 0.00 H new ATOM 0 HA LEU A 63 5.688 4.021 4.301 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.818 3.411 2.896 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.739 3.437 4.276 1.00 0.00 H new ATOM 0 HG LEU A 63 4.246 5.829 3.185 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.046 6.613 2.417 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.523 5.088 1.635 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.319 5.077 2.946 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.845 7.156 4.708 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.171 5.656 5.387 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.901 6.023 5.584 1.00 0.00 H new ATOM 612 N TYR A 64 5.515 5.245 6.383 1.00 0.00 N ATOM 613 CA TYR A 64 5.511 5.952 7.653 1.00 0.00 C ATOM 614 C TYR A 64 5.031 7.394 7.476 1.00 0.00 C ATOM 615 O TYR A 64 5.722 8.212 6.870 1.00 0.00 O ATOM 616 CB TYR A 64 6.964 5.966 8.132 1.00 0.00 C ATOM 617 CG TYR A 64 7.222 5.093 9.362 1.00 0.00 C ATOM 618 CD1 TYR A 64 7.581 3.770 9.206 1.00 0.00 C ATOM 619 CD2 TYR A 64 7.096 5.630 10.627 1.00 0.00 C ATOM 620 CE1 TYR A 64 7.824 2.949 10.364 1.00 0.00 C ATOM 621 CE2 TYR A 64 7.339 4.809 11.785 1.00 0.00 C ATOM 622 CZ TYR A 64 7.691 3.509 11.596 1.00 0.00 C ATOM 623 OH TYR A 64 7.920 2.734 12.690 1.00 0.00 O ATOM 0 H TYR A 64 6.188 5.596 5.702 1.00 0.00 H new ATOM 0 HA TYR A 64 4.842 5.464 8.362 1.00 0.00 H new ATOM 0 HB2 TYR A 64 7.607 5.629 7.319 1.00 0.00 H new ATOM 0 HB3 TYR A 64 7.250 6.992 8.361 1.00 0.00 H new ATOM 0 HD1 TYR A 64 7.680 3.350 8.216 1.00 0.00 H new ATOM 0 HD2 TYR A 64 6.815 6.666 10.749 1.00 0.00 H new ATOM 0 HE1 TYR A 64 8.106 1.912 10.256 1.00 0.00 H new ATOM 0 HE2 TYR A 64 7.244 5.216 12.781 1.00 0.00 H new ATOM 0 HH TYR A 64 7.789 3.267 13.502 1.00 0.00 H new ATOM 633 N ILE A 65 3.851 7.661 8.016 1.00 0.00 N ATOM 634 CA ILE A 65 3.270 8.990 7.925 1.00 0.00 C ATOM 635 C ILE A 65 3.010 9.525 9.335 1.00 0.00 C ATOM 636 O ILE A 65 2.300 8.898 10.119 1.00 0.00 O ATOM 637 CB ILE A 65 2.026 8.971 7.035 1.00 0.00 C ATOM 638 CG1 ILE A 65 1.679 10.380 6.549 1.00 0.00 C ATOM 639 CG2 ILE A 65 0.849 8.306 7.751 1.00 0.00 C ATOM 640 CD1 ILE A 65 2.489 10.746 5.303 1.00 0.00 C ATOM 0 H ILE A 65 3.281 6.980 8.518 1.00 0.00 H new ATOM 0 HA ILE A 65 3.966 9.678 7.445 1.00 0.00 H new ATOM 0 HB ILE A 65 2.246 8.370 6.153 1.00 0.00 H new ATOM 0 HG12 ILE A 65 0.614 10.439 6.325 1.00 0.00 H new ATOM 0 HG13 ILE A 65 1.879 11.101 7.342 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -0.022 8.306 7.096 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.111 7.279 8.006 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.618 8.858 8.662 1.00 0.00 H new ATOM 0 HD11 ILE A 65 2.223 11.752 4.979 1.00 0.00 H new ATOM 0 HD12 ILE A 65 3.553 10.710 5.537 1.00 0.00 H new ATOM 0 HD13 ILE A 65 2.269 10.037 4.505 1.00 0.00 H new ATOM 652 N ASP A 66 3.599 10.678 9.614 1.00 0.00 N ATOM 653 CA ASP A 66 3.440 11.305 10.915 1.00 0.00 C ATOM 654 C ASP A 66 4.130 10.447 11.977 1.00 0.00 C ATOM 655 O ASP A 66 5.181 10.820 12.495 1.00 0.00 O ATOM 656 CB ASP A 66 1.962 11.424 11.291 1.00 0.00 C ATOM 657 CG ASP A 66 1.431 12.857 11.381 1.00 0.00 C ATOM 658 OD1 ASP A 66 1.720 13.629 10.442 1.00 0.00 O ATOM 659 OD2 ASP A 66 0.749 13.147 12.388 1.00 0.00 O ATOM 0 H ASP A 66 4.188 11.195 8.961 1.00 0.00 H new ATOM 0 HA ASP A 66 3.882 12.300 10.866 1.00 0.00 H new ATOM 0 HB2 ASP A 66 1.370 10.879 10.556 1.00 0.00 H new ATOM 0 HB3 ASP A 66 1.806 10.934 12.252 1.00 0.00 H new ATOM 664 N GLY A 67 3.510 9.313 12.270 1.00 0.00 N ATOM 665 CA GLY A 67 4.052 8.398 13.261 1.00 0.00 C ATOM 666 C GLY A 67 3.300 7.066 13.247 1.00 0.00 C ATOM 667 O GLY A 67 3.072 6.466 14.296 1.00 0.00 O ATOM 0 H GLY A 67 2.638 9.007 11.839 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.109 8.225 13.061 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.984 8.848 14.252 1.00 0.00 H new ATOM 671 N LYS A 68 2.937 6.641 12.046 1.00 0.00 N ATOM 672 CA LYS A 68 2.215 5.391 11.881 1.00 0.00 C ATOM 673 C LYS A 68 3.027 4.454 10.984 1.00 0.00 C ATOM 674 O LYS A 68 4.003 4.873 10.364 1.00 0.00 O ATOM 675 CB LYS A 68 0.797 5.653 11.372 1.00 0.00 C ATOM 676 CG LYS A 68 0.461 4.743 10.188 1.00 0.00 C ATOM 677 CD LYS A 68 -0.849 5.170 9.523 1.00 0.00 C ATOM 678 CE LYS A 68 -1.803 5.796 10.542 1.00 0.00 C ATOM 679 NZ LYS A 68 -3.096 6.131 9.903 1.00 0.00 N ATOM 0 H LYS A 68 3.129 7.140 11.178 1.00 0.00 H new ATOM 0 HA LYS A 68 2.095 4.891 12.842 1.00 0.00 H new ATOM 0 HB2 LYS A 68 0.081 5.487 12.177 1.00 0.00 H new ATOM 0 HB3 LYS A 68 0.702 6.696 11.071 1.00 0.00 H new ATOM 0 HG2 LYS A 68 1.271 4.775 9.459 1.00 0.00 H new ATOM 0 HG3 LYS A 68 0.380 3.711 10.529 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -0.641 5.885 8.727 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -1.324 4.306 9.058 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -1.967 5.104 11.368 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -1.355 6.696 10.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -3.732 6.555 10.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -2.936 6.808 9.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -3.529 5.266 9.522 1.00 0.00 H new ATOM 693 N ARG A 69 2.593 3.202 10.943 1.00 0.00 N ATOM 694 CA ARG A 69 3.267 2.202 10.133 1.00 0.00 C ATOM 695 C ARG A 69 2.252 1.211 9.561 1.00 0.00 C ATOM 696 O ARG A 69 1.532 0.552 10.310 1.00 0.00 O ATOM 697 CB ARG A 69 4.309 1.439 10.953 1.00 0.00 C ATOM 698 CG ARG A 69 5.275 0.680 10.041 1.00 0.00 C ATOM 699 CD ARG A 69 4.690 -0.671 9.626 1.00 0.00 C ATOM 700 NE ARG A 69 5.630 -1.759 9.975 1.00 0.00 N ATOM 701 CZ ARG A 69 5.688 -2.345 11.178 1.00 0.00 C ATOM 702 NH1 ARG A 69 4.861 -1.951 12.156 1.00 0.00 N ATOM 703 NH2 ARG A 69 6.574 -3.324 11.405 1.00 0.00 N ATOM 0 H ARG A 69 1.783 2.858 11.458 1.00 0.00 H new ATOM 0 HA ARG A 69 3.772 2.721 9.318 1.00 0.00 H new ATOM 0 HB2 ARG A 69 4.866 2.136 11.579 1.00 0.00 H new ATOM 0 HB3 ARG A 69 3.809 0.739 11.622 1.00 0.00 H new ATOM 0 HG2 ARG A 69 5.487 1.276 9.154 1.00 0.00 H new ATOM 0 HG3 ARG A 69 6.223 0.527 10.557 1.00 0.00 H new ATOM 0 HD2 ARG A 69 3.734 -0.831 10.125 1.00 0.00 H new ATOM 0 HD3 ARG A 69 4.495 -0.678 8.554 1.00 0.00 H new ATOM 0 HE ARG A 69 6.275 -2.083 9.254 1.00 0.00 H new ATOM 0 HH11 ARG A 69 4.187 -1.205 11.984 1.00 0.00 H new ATOM 0 HH12 ARG A 69 4.905 -2.397 13.072 1.00 0.00 H new ATOM 0 HH21 ARG A 69 7.205 -3.623 10.661 1.00 0.00 H new ATOM 0 HH22 ARG A 69 6.618 -3.770 12.321 1.00 0.00 H new ATOM 717 N LEU A 70 2.226 1.135 8.238 1.00 0.00 N ATOM 718 CA LEU A 70 1.311 0.235 7.557 1.00 0.00 C ATOM 719 C LEU A 70 2.053 -0.479 6.425 1.00 0.00 C ATOM 720 O LEU A 70 3.187 -0.128 6.103 1.00 0.00 O ATOM 721 CB LEU A 70 0.063 0.988 7.095 1.00 0.00 C ATOM 722 CG LEU A 70 0.181 1.729 5.762 1.00 0.00 C ATOM 723 CD1 LEU A 70 -1.103 1.592 4.942 1.00 0.00 C ATOM 724 CD2 LEU A 70 0.568 3.193 5.980 1.00 0.00 C ATOM 0 H LEU A 70 2.824 1.683 7.620 1.00 0.00 H new ATOM 0 HA LEU A 70 0.955 -0.535 8.241 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.759 0.277 7.021 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.208 1.709 7.866 1.00 0.00 H new ATOM 0 HG LEU A 70 0.982 1.267 5.185 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.992 2.128 4.000 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.295 0.538 4.740 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.939 2.012 5.502 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.645 3.696 5.016 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.193 3.684 6.586 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.528 3.243 6.493 1.00 0.00 H new ATOM 736 N HIS A 71 1.383 -1.468 5.853 1.00 0.00 N ATOM 737 CA HIS A 71 1.964 -2.234 4.764 1.00 0.00 C ATOM 738 C HIS A 71 1.512 -1.647 3.425 1.00 0.00 C ATOM 739 O HIS A 71 0.316 -1.567 3.150 1.00 0.00 O ATOM 740 CB HIS A 71 1.627 -3.720 4.904 1.00 0.00 C ATOM 741 CG HIS A 71 2.110 -4.340 6.192 1.00 0.00 C ATOM 742 ND1 HIS A 71 2.752 -5.566 6.240 1.00 0.00 N ATOM 743 CD2 HIS A 71 2.041 -3.892 7.479 1.00 0.00 C ATOM 744 CE1 HIS A 71 3.049 -5.834 7.503 1.00 0.00 C ATOM 745 NE2 HIS A 71 2.607 -4.796 8.269 1.00 0.00 N ATOM 0 H HIS A 71 0.443 -1.757 6.123 1.00 0.00 H new ATOM 0 HA HIS A 71 3.051 -2.162 4.804 1.00 0.00 H new ATOM 0 HB2 HIS A 71 0.546 -3.845 4.835 1.00 0.00 H new ATOM 0 HB3 HIS A 71 2.064 -4.262 4.065 1.00 0.00 H new ATOM 0 HD2 HIS A 71 1.600 -2.960 7.800 1.00 0.00 H new ATOM 0 HE1 HIS A 71 3.553 -6.719 7.863 1.00 0.00 H new ATOM 0 HE2 HIS A 71 2.697 -4.726 9.283 1.00 0.00 H new ATOM 753 N ILE A 72 2.493 -1.251 2.627 1.00 0.00 N ATOM 754 CA ILE A 72 2.211 -0.674 1.324 1.00 0.00 C ATOM 755 C ILE A 72 2.849 -1.542 0.238 1.00 0.00 C ATOM 756 O ILE A 72 3.627 -2.446 0.538 1.00 0.00 O ATOM 757 CB ILE A 72 2.653 0.790 1.280 1.00 0.00 C ATOM 758 CG1 ILE A 72 4.103 0.940 1.745 1.00 0.00 C ATOM 759 CG2 ILE A 72 1.699 1.675 2.084 1.00 0.00 C ATOM 760 CD1 ILE A 72 4.867 1.919 0.851 1.00 0.00 C ATOM 0 H ILE A 72 3.484 -1.319 2.858 1.00 0.00 H new ATOM 0 HA ILE A 72 1.138 -0.665 1.135 1.00 0.00 H new ATOM 0 HB ILE A 72 2.611 1.128 0.245 1.00 0.00 H new ATOM 0 HG12 ILE A 72 4.123 1.292 2.776 1.00 0.00 H new ATOM 0 HG13 ILE A 72 4.596 -0.032 1.730 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.036 2.710 2.036 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.695 1.601 1.667 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.685 1.345 3.123 1.00 0.00 H new ATOM 0 HD11 ILE A 72 5.895 2.007 1.203 1.00 0.00 H new ATOM 0 HD12 ILE A 72 4.866 1.552 -0.175 1.00 0.00 H new ATOM 0 HD13 ILE A 72 4.386 2.896 0.887 1.00 0.00 H new ATOM 772 N SER A 73 2.497 -1.237 -1.002 1.00 0.00 N ATOM 773 CA SER A 73 3.025 -1.978 -2.135 1.00 0.00 C ATOM 774 C SER A 73 4.506 -1.646 -2.332 1.00 0.00 C ATOM 775 O SER A 73 4.960 -0.568 -1.953 1.00 0.00 O ATOM 776 CB SER A 73 2.238 -1.670 -3.410 1.00 0.00 C ATOM 777 OG SER A 73 1.808 -2.857 -4.071 1.00 0.00 O ATOM 0 H SER A 73 1.852 -0.486 -1.247 1.00 0.00 H new ATOM 0 HA SER A 73 2.922 -3.043 -1.926 1.00 0.00 H new ATOM 0 HB2 SER A 73 1.370 -1.059 -3.162 1.00 0.00 H new ATOM 0 HB3 SER A 73 2.859 -1.083 -4.087 1.00 0.00 H new ATOM 0 HG SER A 73 1.308 -2.618 -4.879 1.00 0.00 H new ATOM 783 N GLU A 74 5.218 -2.594 -2.925 1.00 0.00 N ATOM 784 CA GLU A 74 6.638 -2.416 -3.177 1.00 0.00 C ATOM 785 C GLU A 74 6.865 -1.234 -4.122 1.00 0.00 C ATOM 786 O GLU A 74 7.579 -0.292 -3.782 1.00 0.00 O ATOM 787 CB GLU A 74 7.259 -3.695 -3.740 1.00 0.00 C ATOM 788 CG GLU A 74 8.191 -4.348 -2.718 1.00 0.00 C ATOM 789 CD GLU A 74 9.656 -4.191 -3.132 1.00 0.00 C ATOM 790 OE1 GLU A 74 9.963 -4.563 -4.284 1.00 0.00 O ATOM 791 OE2 GLU A 74 10.435 -3.701 -2.286 1.00 0.00 O ATOM 0 H GLU A 74 4.838 -3.487 -3.238 1.00 0.00 H new ATOM 0 HA GLU A 74 7.131 -2.199 -2.230 1.00 0.00 H new ATOM 0 HB2 GLU A 74 6.471 -4.395 -4.018 1.00 0.00 H new ATOM 0 HB3 GLU A 74 7.815 -3.464 -4.649 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.036 -3.896 -1.738 1.00 0.00 H new ATOM 0 HG3 GLU A 74 7.948 -5.406 -2.623 1.00 0.00 H new ATOM 798 N GLU A 75 6.244 -1.323 -5.289 1.00 0.00 N ATOM 799 CA GLU A 75 6.370 -0.273 -6.285 1.00 0.00 C ATOM 800 C GLU A 75 5.932 1.071 -5.699 1.00 0.00 C ATOM 801 O GLU A 75 6.579 2.092 -5.924 1.00 0.00 O ATOM 802 CB GLU A 75 5.567 -0.610 -7.543 1.00 0.00 C ATOM 803 CG GLU A 75 4.064 -0.580 -7.257 1.00 0.00 C ATOM 804 CD GLU A 75 3.288 -1.356 -8.323 1.00 0.00 C ATOM 805 OE1 GLU A 75 2.471 -0.710 -9.014 1.00 0.00 O ATOM 806 OE2 GLU A 75 3.528 -2.579 -8.423 1.00 0.00 O ATOM 0 H GLU A 75 5.652 -2.106 -5.567 1.00 0.00 H new ATOM 0 HA GLU A 75 7.419 -0.197 -6.573 1.00 0.00 H new ATOM 0 HB2 GLU A 75 5.805 0.103 -8.333 1.00 0.00 H new ATOM 0 HB3 GLU A 75 5.852 -1.597 -7.908 1.00 0.00 H new ATOM 0 HG2 GLU A 75 3.868 -1.010 -6.275 1.00 0.00 H new ATOM 0 HG3 GLU A 75 3.716 0.453 -7.228 1.00 0.00 H new ATOM 813 N ASP A 76 4.834 1.027 -4.958 1.00 0.00 N ATOM 814 CA ASP A 76 4.302 2.228 -4.337 1.00 0.00 C ATOM 815 C ASP A 76 5.292 2.737 -3.288 1.00 0.00 C ATOM 816 O ASP A 76 5.446 3.944 -3.108 1.00 0.00 O ATOM 817 CB ASP A 76 2.973 1.941 -3.634 1.00 0.00 C ATOM 818 CG ASP A 76 1.724 2.278 -4.450 1.00 0.00 C ATOM 819 OD1 ASP A 76 1.487 3.489 -4.650 1.00 0.00 O ATOM 820 OD2 ASP A 76 1.034 1.317 -4.854 1.00 0.00 O ATOM 0 H ASP A 76 4.299 0.179 -4.774 1.00 0.00 H new ATOM 0 HA ASP A 76 4.144 2.971 -5.119 1.00 0.00 H new ATOM 0 HB2 ASP A 76 2.941 0.884 -3.368 1.00 0.00 H new ATOM 0 HB3 ASP A 76 2.943 2.505 -2.702 1.00 0.00 H new ATOM 825 N ALA A 77 5.938 1.791 -2.622 1.00 0.00 N ATOM 826 CA ALA A 77 6.909 2.128 -1.595 1.00 0.00 C ATOM 827 C ALA A 77 8.100 2.840 -2.241 1.00 0.00 C ATOM 828 O ALA A 77 8.739 3.683 -1.612 1.00 0.00 O ATOM 829 CB ALA A 77 7.323 0.860 -0.847 1.00 0.00 C ATOM 0 H ALA A 77 5.808 0.791 -2.774 1.00 0.00 H new ATOM 0 HA ALA A 77 6.474 2.809 -0.864 1.00 0.00 H new ATOM 0 HB1 ALA A 77 8.051 1.113 -0.077 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.446 0.409 -0.383 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.767 0.153 -1.548 1.00 0.00 H new ATOM 835 N GLN A 78 8.364 2.473 -3.486 1.00 0.00 N ATOM 836 CA GLN A 78 9.467 3.066 -4.223 1.00 0.00 C ATOM 837 C GLN A 78 9.087 4.465 -4.714 1.00 0.00 C ATOM 838 O GLN A 78 9.901 5.385 -4.667 1.00 0.00 O ATOM 839 CB GLN A 78 9.889 2.172 -5.391 1.00 0.00 C ATOM 840 CG GLN A 78 11.136 2.727 -6.083 1.00 0.00 C ATOM 841 CD GLN A 78 10.806 3.219 -7.494 1.00 0.00 C ATOM 842 OE1 GLN A 78 9.824 2.827 -8.102 1.00 0.00 O ATOM 843 NE2 GLN A 78 11.680 4.097 -7.978 1.00 0.00 N ATOM 0 H GLN A 78 7.833 1.772 -4.003 1.00 0.00 H new ATOM 0 HA GLN A 78 10.320 3.157 -3.550 1.00 0.00 H new ATOM 0 HB2 GLN A 78 10.088 1.164 -5.028 1.00 0.00 H new ATOM 0 HB3 GLN A 78 9.073 2.097 -6.110 1.00 0.00 H new ATOM 0 HG2 GLN A 78 11.548 3.547 -5.495 1.00 0.00 H new ATOM 0 HG3 GLN A 78 11.903 1.954 -6.133 1.00 0.00 H new ATOM 0 HE21 GLN A 78 12.481 4.382 -7.415 1.00 0.00 H new ATOM 0 HE22 GLN A 78 11.549 4.485 -8.912 1.00 0.00 H new ATOM 852 N ARG A 79 7.849 4.580 -5.173 1.00 0.00 N ATOM 853 CA ARG A 79 7.352 5.851 -5.672 1.00 0.00 C ATOM 854 C ARG A 79 7.373 6.902 -4.561 1.00 0.00 C ATOM 855 O ARG A 79 7.614 8.080 -4.820 1.00 0.00 O ATOM 856 CB ARG A 79 5.925 5.712 -6.206 1.00 0.00 C ATOM 857 CG ARG A 79 5.886 5.902 -7.723 1.00 0.00 C ATOM 858 CD ARG A 79 4.590 5.342 -8.314 1.00 0.00 C ATOM 859 NE ARG A 79 4.401 5.849 -9.691 1.00 0.00 N ATOM 860 CZ ARG A 79 3.230 5.835 -10.342 1.00 0.00 C ATOM 861 NH1 ARG A 79 2.137 5.341 -9.745 1.00 0.00 N ATOM 862 NH2 ARG A 79 3.151 6.317 -11.590 1.00 0.00 N ATOM 0 H ARG A 79 7.176 3.814 -5.210 1.00 0.00 H new ATOM 0 HA ARG A 79 8.004 6.166 -6.487 1.00 0.00 H new ATOM 0 HB2 ARG A 79 5.531 4.729 -5.949 1.00 0.00 H new ATOM 0 HB3 ARG A 79 5.280 6.449 -5.727 1.00 0.00 H new ATOM 0 HG2 ARG A 79 5.971 6.962 -7.962 1.00 0.00 H new ATOM 0 HG3 ARG A 79 6.742 5.403 -8.177 1.00 0.00 H new ATOM 0 HD2 ARG A 79 4.625 4.253 -8.320 1.00 0.00 H new ATOM 0 HD3 ARG A 79 3.743 5.630 -7.692 1.00 0.00 H new ATOM 0 HE ARG A 79 5.213 6.233 -10.175 1.00 0.00 H new ATOM 0 HH11 ARG A 79 2.196 4.975 -8.795 1.00 0.00 H new ATOM 0 HH12 ARG A 79 1.246 5.331 -10.241 1.00 0.00 H new ATOM 0 HH21 ARG A 79 3.982 6.695 -12.044 1.00 0.00 H new ATOM 0 HH22 ARG A 79 2.259 6.306 -12.085 1.00 0.00 H new ATOM 876 N LEU A 80 7.119 6.438 -3.346 1.00 0.00 N ATOM 877 CA LEU A 80 7.106 7.324 -2.194 1.00 0.00 C ATOM 878 C LEU A 80 8.421 8.105 -2.142 1.00 0.00 C ATOM 879 O LEU A 80 8.420 9.315 -1.921 1.00 0.00 O ATOM 880 CB LEU A 80 6.807 6.537 -0.917 1.00 0.00 C ATOM 881 CG LEU A 80 5.488 6.872 -0.216 1.00 0.00 C ATOM 882 CD1 LEU A 80 5.253 5.948 0.980 1.00 0.00 C ATOM 883 CD2 LEU A 80 5.437 8.349 0.181 1.00 0.00 C ATOM 0 H LEU A 80 6.921 5.460 -3.134 1.00 0.00 H new ATOM 0 HA LEU A 80 6.304 8.056 -2.285 1.00 0.00 H new ATOM 0 HB2 LEU A 80 6.807 5.475 -1.160 1.00 0.00 H new ATOM 0 HB3 LEU A 80 7.622 6.702 -0.213 1.00 0.00 H new ATOM 0 HG LEU A 80 4.674 6.700 -0.920 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.309 6.207 1.460 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.214 4.914 0.639 1.00 0.00 H new ATOM 0 HD13 LEU A 80 6.068 6.064 1.695 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.490 8.560 0.677 1.00 0.00 H new ATOM 0 HD22 LEU A 80 6.260 8.572 0.860 1.00 0.00 H new ATOM 0 HD23 LEU A 80 5.525 8.969 -0.711 1.00 0.00 H new ATOM 895 N VAL A 81 9.511 7.380 -2.348 1.00 0.00 N ATOM 896 CA VAL A 81 10.830 7.989 -2.327 1.00 0.00 C ATOM 897 C VAL A 81 10.980 8.911 -3.539 1.00 0.00 C ATOM 898 O VAL A 81 11.373 10.068 -3.398 1.00 0.00 O ATOM 899 CB VAL A 81 11.907 6.904 -2.264 1.00 0.00 C ATOM 900 CG1 VAL A 81 13.239 7.421 -2.810 1.00 0.00 C ATOM 901 CG2 VAL A 81 12.068 6.374 -0.838 1.00 0.00 C ATOM 0 H VAL A 81 9.507 6.376 -2.530 1.00 0.00 H new ATOM 0 HA VAL A 81 10.954 8.602 -1.434 1.00 0.00 H new ATOM 0 HB VAL A 81 11.585 6.076 -2.895 1.00 0.00 H new ATOM 0 HG11 VAL A 81 13.987 6.630 -2.754 1.00 0.00 H new ATOM 0 HG12 VAL A 81 13.112 7.727 -3.848 1.00 0.00 H new ATOM 0 HG13 VAL A 81 13.568 8.275 -2.218 1.00 0.00 H new ATOM 0 HG21 VAL A 81 12.839 5.604 -0.821 1.00 0.00 H new ATOM 0 HG22 VAL A 81 12.356 7.191 -0.177 1.00 0.00 H new ATOM 0 HG23 VAL A 81 11.123 5.949 -0.499 1.00 0.00 H new ATOM 911 N VAL A 82 10.660 8.363 -4.702 1.00 0.00 N ATOM 912 CA VAL A 82 10.754 9.122 -5.938 1.00 0.00 C ATOM 913 C VAL A 82 9.999 10.443 -5.779 1.00 0.00 C ATOM 914 O VAL A 82 10.425 11.472 -6.301 1.00 0.00 O ATOM 915 CB VAL A 82 10.246 8.279 -7.109 1.00 0.00 C ATOM 916 CG1 VAL A 82 10.049 9.140 -8.359 1.00 0.00 C ATOM 917 CG2 VAL A 82 11.190 7.109 -7.393 1.00 0.00 C ATOM 0 H VAL A 82 10.335 7.403 -4.815 1.00 0.00 H new ATOM 0 HA VAL A 82 11.793 9.367 -6.158 1.00 0.00 H new ATOM 0 HB VAL A 82 9.277 7.867 -6.829 1.00 0.00 H new ATOM 0 HG11 VAL A 82 9.687 8.517 -9.177 1.00 0.00 H new ATOM 0 HG12 VAL A 82 9.320 9.923 -8.150 1.00 0.00 H new ATOM 0 HG13 VAL A 82 10.999 9.594 -8.641 1.00 0.00 H new ATOM 0 HG21 VAL A 82 10.805 6.526 -8.230 1.00 0.00 H new ATOM 0 HG22 VAL A 82 12.180 7.492 -7.642 1.00 0.00 H new ATOM 0 HG23 VAL A 82 11.259 6.474 -6.510 1.00 0.00 H new ATOM 927 N ALA A 83 8.890 10.371 -5.057 1.00 0.00 N ATOM 928 CA ALA A 83 8.072 11.548 -4.823 1.00 0.00 C ATOM 929 C ALA A 83 8.873 12.569 -4.014 1.00 0.00 C ATOM 930 O ALA A 83 8.581 13.764 -4.051 1.00 0.00 O ATOM 931 CB ALA A 83 6.775 11.137 -4.123 1.00 0.00 C ATOM 0 H ALA A 83 8.539 9.515 -4.627 1.00 0.00 H new ATOM 0 HA ALA A 83 7.798 12.019 -5.767 1.00 0.00 H new ATOM 0 HB1 ALA A 83 6.161 12.020 -3.947 1.00 0.00 H new ATOM 0 HB2 ALA A 83 6.229 10.434 -4.752 1.00 0.00 H new ATOM 0 HB3 ALA A 83 7.010 10.663 -3.170 1.00 0.00 H new ATOM 937 N GLY A 84 9.869 12.062 -3.302 1.00 0.00 N ATOM 938 CA GLY A 84 10.715 12.915 -2.485 1.00 0.00 C ATOM 939 C GLY A 84 10.636 12.515 -1.010 1.00 0.00 C ATOM 940 O GLY A 84 11.144 13.224 -0.143 1.00 0.00 O ATOM 0 H GLY A 84 10.109 11.071 -3.274 1.00 0.00 H new ATOM 0 HA2 GLY A 84 11.747 12.847 -2.829 1.00 0.00 H new ATOM 0 HA3 GLY A 84 10.409 13.955 -2.600 1.00 0.00 H new ATOM 944 N ALA A 85 9.996 11.379 -0.771 1.00 0.00 N ATOM 945 CA ALA A 85 9.845 10.876 0.583 1.00 0.00 C ATOM 946 C ALA A 85 11.198 10.374 1.091 1.00 0.00 C ATOM 947 O ALA A 85 12.084 10.058 0.298 1.00 0.00 O ATOM 948 CB ALA A 85 8.773 9.785 0.606 1.00 0.00 C ATOM 0 H ALA A 85 9.576 10.793 -1.493 1.00 0.00 H new ATOM 0 HA ALA A 85 9.516 11.671 1.252 1.00 0.00 H new ATOM 0 HB1 ALA A 85 8.660 9.408 1.622 1.00 0.00 H new ATOM 0 HB2 ALA A 85 7.824 10.200 0.265 1.00 0.00 H new ATOM 0 HB3 ALA A 85 9.070 8.969 -0.053 1.00 0.00 H new ATOM 954 N GLU A 86 11.316 10.317 2.409 1.00 0.00 N ATOM 955 CA GLU A 86 12.546 9.859 3.031 1.00 0.00 C ATOM 956 C GLU A 86 12.765 8.372 2.745 1.00 0.00 C ATOM 957 O GLU A 86 11.805 7.621 2.581 1.00 0.00 O ATOM 958 CB GLU A 86 12.534 10.132 4.537 1.00 0.00 C ATOM 959 CG GLU A 86 13.727 10.996 4.948 1.00 0.00 C ATOM 960 CD GLU A 86 13.663 12.372 4.281 1.00 0.00 C ATOM 961 OE1 GLU A 86 12.886 13.211 4.784 1.00 0.00 O ATOM 962 OE2 GLU A 86 14.394 12.553 3.283 1.00 0.00 O ATOM 0 H GLU A 86 10.580 10.581 3.064 1.00 0.00 H new ATOM 0 HA GLU A 86 13.377 10.418 2.600 1.00 0.00 H new ATOM 0 HB2 GLU A 86 11.606 10.633 4.812 1.00 0.00 H new ATOM 0 HB3 GLU A 86 12.560 9.188 5.081 1.00 0.00 H new ATOM 0 HG2 GLU A 86 13.739 11.113 6.032 1.00 0.00 H new ATOM 0 HG3 GLU A 86 14.655 10.496 4.671 1.00 0.00 H new ATOM 969 N ASP A 87 14.033 7.993 2.693 1.00 0.00 N ATOM 970 CA ASP A 87 14.390 6.609 2.429 1.00 0.00 C ATOM 971 C ASP A 87 15.349 6.118 3.515 1.00 0.00 C ATOM 972 O ASP A 87 16.520 6.494 3.530 1.00 0.00 O ATOM 973 CB ASP A 87 15.094 6.470 1.078 1.00 0.00 C ATOM 974 CG ASP A 87 14.851 5.143 0.356 1.00 0.00 C ATOM 975 OD1 ASP A 87 14.385 5.204 -0.802 1.00 0.00 O ATOM 976 OD2 ASP A 87 15.136 4.097 0.979 1.00 0.00 O ATOM 0 H ASP A 87 14.826 8.620 2.829 1.00 0.00 H new ATOM 0 HA ASP A 87 13.473 6.020 2.420 1.00 0.00 H new ATOM 0 HB2 ASP A 87 14.768 7.284 0.430 1.00 0.00 H new ATOM 0 HB3 ASP A 87 16.166 6.593 1.230 1.00 0.00 H new ATOM 981 N GLN A 88 14.817 5.286 4.398 1.00 0.00 N ATOM 982 CA GLN A 88 15.612 4.740 5.485 1.00 0.00 C ATOM 983 C GLN A 88 15.613 3.211 5.426 1.00 0.00 C ATOM 984 O GLN A 88 16.392 2.560 6.121 1.00 0.00 O ATOM 985 CB GLN A 88 15.102 5.235 6.840 1.00 0.00 C ATOM 986 CG GLN A 88 14.750 6.723 6.783 1.00 0.00 C ATOM 987 CD GLN A 88 15.902 7.536 6.187 1.00 0.00 C ATOM 988 OE1 GLN A 88 15.513 8.482 5.337 1.00 0.00 O flip ATOM 989 NE2 GLN A 88 17.066 7.318 6.480 1.00 0.00 N flip ATOM 0 H GLN A 88 13.845 4.977 4.383 1.00 0.00 H new ATOM 0 HA GLN A 88 16.638 5.090 5.370 1.00 0.00 H new ATOM 0 HB2 GLN A 88 14.223 4.661 7.134 1.00 0.00 H new ATOM 0 HB3 GLN A 88 15.862 5.066 7.602 1.00 0.00 H new ATOM 0 HG2 GLN A 88 13.851 6.865 6.183 1.00 0.00 H new ATOM 0 HG3 GLN A 88 14.525 7.086 7.786 1.00 0.00 H new ATOM 0 HE21 GLN A 88 17.295 6.575 7.140 1.00 0.00 H new ATOM 0 HE22 GLN A 88 17.810 7.878 6.065 1.00 0.00 H new ATOM 998 N ARG A 89 14.733 2.682 4.588 1.00 0.00 N ATOM 999 CA ARG A 89 14.623 1.242 4.429 1.00 0.00 C ATOM 1000 C ARG A 89 15.992 0.637 4.114 1.00 0.00 C ATOM 1001 O ARG A 89 16.303 -0.469 4.556 1.00 0.00 O ATOM 1002 CB ARG A 89 13.645 0.885 3.307 1.00 0.00 C ATOM 1003 CG ARG A 89 14.332 0.947 1.941 1.00 0.00 C ATOM 1004 CD ARG A 89 13.315 0.794 0.809 1.00 0.00 C ATOM 1005 NE ARG A 89 13.565 -0.463 0.069 1.00 0.00 N ATOM 1006 CZ ARG A 89 14.642 -0.682 -0.698 1.00 0.00 C ATOM 1007 NH1 ARG A 89 15.574 0.271 -0.831 1.00 0.00 N ATOM 1008 NH2 ARG A 89 14.785 -1.854 -1.332 1.00 0.00 N ATOM 0 H ARG A 89 14.090 3.225 4.012 1.00 0.00 H new ATOM 0 HA ARG A 89 14.248 0.832 5.367 1.00 0.00 H new ATOM 0 HB2 ARG A 89 13.246 -0.116 3.472 1.00 0.00 H new ATOM 0 HB3 ARG A 89 12.799 1.572 3.324 1.00 0.00 H new ATOM 0 HG2 ARG A 89 14.857 1.896 1.837 1.00 0.00 H new ATOM 0 HG3 ARG A 89 15.081 0.159 1.871 1.00 0.00 H new ATOM 0 HD2 ARG A 89 12.304 0.791 1.216 1.00 0.00 H new ATOM 0 HD3 ARG A 89 13.383 1.644 0.131 1.00 0.00 H new ATOM 0 HE ARG A 89 12.874 -1.209 0.148 1.00 0.00 H new ATOM 0 HH11 ARG A 89 15.464 1.163 -0.349 1.00 0.00 H new ATOM 0 HH12 ARG A 89 16.394 0.105 -1.415 1.00 0.00 H new ATOM 0 HH21 ARG A 89 14.074 -2.579 -1.231 1.00 0.00 H new ATOM 0 HH22 ARG A 89 15.604 -2.021 -1.916 1.00 0.00 H new