USER MOD reduce.3.24.130724 H: found=0, std=0, add=288, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 288 hydrogens (2 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 1 TYR N :NH3+ 149:sc= 0.27 (180deg=0.0297) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 161:sc= -0.2 (180deg=-0.771) USER MOD Single : A 13 SER OG : rot 180:sc= -0.162 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc= -0.146 X(o=-0.15,f=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0.0161 X(o=0.016,f=0) USER MOD Single : A 32 THR OG1 : rot -94:sc= 1.31 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 -12.301 38.499 -7.610 1.00 0.00 N ATOM 2 CA TYR A 1 -12.492 37.666 -6.400 1.00 0.00 C ATOM 3 C TYR A 1 -13.671 36.720 -6.627 1.00 0.00 C ATOM 4 O TYR A 1 -14.800 37.126 -6.377 1.00 0.00 O ATOM 5 CB TYR A 1 -12.690 38.541 -5.160 1.00 0.00 C ATOM 6 CG TYR A 1 -11.460 39.330 -4.746 1.00 0.00 C ATOM 7 CD1 TYR A 1 -10.514 38.781 -3.850 1.00 0.00 C ATOM 8 CD2 TYR A 1 -11.263 40.625 -5.261 1.00 0.00 C ATOM 9 CE1 TYR A 1 -9.385 39.534 -3.464 1.00 0.00 C ATOM 10 CE2 TYR A 1 -10.118 41.360 -4.906 1.00 0.00 C ATOM 11 CZ TYR A 1 -9.181 40.826 -3.999 1.00 0.00 C ATOM 12 OH TYR A 1 -8.103 41.582 -3.641 1.00 0.00 O ATOM 0 H1 TYR A 1 -11.923 39.428 -7.336 1.00 0.00 H new ATOM 0 H2 TYR A 1 -11.632 38.029 -8.253 1.00 0.00 H new ATOM 0 H3 TYR A 1 -13.214 38.626 -8.092 1.00 0.00 H new ATOM 0 HA TYR A 1 -11.598 37.069 -6.220 1.00 0.00 H new ATOM 0 HB2 TYR A 1 -13.507 39.237 -5.348 1.00 0.00 H new ATOM 0 HB3 TYR A 1 -12.997 37.907 -4.328 1.00 0.00 H new ATOM 0 HD1 TYR A 1 -10.656 37.784 -3.460 1.00 0.00 H new ATOM 0 HD2 TYR A 1 -11.993 41.055 -5.931 1.00 0.00 H new ATOM 0 HE1 TYR A 1 -8.677 39.123 -2.760 1.00 0.00 H new ATOM 0 HE2 TYR A 1 -9.956 42.340 -5.331 1.00 0.00 H new ATOM 0 HH TYR A 1 -8.134 42.440 -4.114 1.00 0.00 H new ATOM 24 N PRO A 2 -13.427 35.504 -7.154 1.00 0.00 N ATOM 25 CA PRO A 2 -14.463 34.488 -7.332 1.00 0.00 C ATOM 26 C PRO A 2 -14.906 33.883 -5.984 1.00 0.00 C ATOM 27 O PRO A 2 -14.611 34.438 -4.924 1.00 0.00 O ATOM 28 CB PRO A 2 -13.860 33.472 -8.315 1.00 0.00 C ATOM 29 CG PRO A 2 -12.343 33.629 -8.196 1.00 0.00 C ATOM 30 CD PRO A 2 -12.118 34.991 -7.541 1.00 0.00 C ATOM 0 HA PRO A 2 -15.389 34.896 -7.737 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -14.169 32.457 -8.067 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -14.195 33.667 -9.334 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -11.913 32.829 -7.593 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -11.867 33.582 -9.175 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -11.469 34.897 -6.671 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -11.626 35.674 -8.233 1.00 0.00 H new ATOM 38 N ALA A 3 -15.641 32.761 -6.034 1.00 0.00 N ATOM 39 CA ALA A 3 -16.082 31.987 -4.876 1.00 0.00 C ATOM 40 C ALA A 3 -14.987 31.904 -3.800 1.00 0.00 C ATOM 41 O ALA A 3 -13.886 31.415 -4.049 1.00 0.00 O ATOM 42 CB ALA A 3 -16.522 30.592 -5.342 1.00 0.00 C ATOM 0 H ALA A 3 -15.953 32.358 -6.917 1.00 0.00 H new ATOM 0 HA ALA A 3 -16.930 32.492 -4.414 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -16.852 30.009 -4.483 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -17.343 30.688 -6.053 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -15.683 30.087 -5.822 1.00 0.00 H new ATOM 48 N LYS A 4 -15.288 32.415 -2.598 1.00 0.00 N ATOM 49 CA LYS A 4 -14.390 32.336 -1.442 1.00 0.00 C ATOM 50 C LYS A 4 -14.006 30.882 -1.101 1.00 0.00 C ATOM 51 O LYS A 4 -12.806 30.616 -1.000 1.00 0.00 O ATOM 52 CB LYS A 4 -15.003 33.052 -0.221 1.00 0.00 C ATOM 53 CG LYS A 4 -14.159 34.231 0.273 1.00 0.00 C ATOM 54 CD LYS A 4 -14.407 35.539 -0.492 1.00 0.00 C ATOM 55 CE LYS A 4 -13.327 35.827 -1.546 1.00 0.00 C ATOM 56 NZ LYS A 4 -13.302 37.275 -1.851 1.00 0.00 N ATOM 0 H LYS A 4 -16.166 32.896 -2.402 1.00 0.00 H new ATOM 0 HA LYS A 4 -13.468 32.851 -1.713 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -15.999 33.410 -0.480 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -15.123 32.334 0.590 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -14.366 34.395 1.330 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -13.104 33.969 0.192 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -15.380 35.490 -0.980 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -14.447 36.367 0.216 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -12.352 35.506 -1.179 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -13.529 35.258 -2.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -12.395 37.520 -2.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -14.081 37.507 -2.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -13.412 37.817 -0.970 1.00 0.00 H new ATOM 70 N PRO A 5 -14.962 29.941 -0.938 1.00 0.00 N ATOM 71 CA PRO A 5 -14.666 28.530 -0.694 1.00 0.00 C ATOM 72 C PRO A 5 -14.215 27.803 -1.982 1.00 0.00 C ATOM 73 O PRO A 5 -14.833 26.839 -2.430 1.00 0.00 O ATOM 74 CB PRO A 5 -15.933 27.967 -0.039 1.00 0.00 C ATOM 75 CG PRO A 5 -17.078 28.865 -0.507 1.00 0.00 C ATOM 76 CD PRO A 5 -16.406 30.160 -0.962 1.00 0.00 C ATOM 0 HA PRO A 5 -13.813 28.382 -0.031 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -16.101 26.932 -0.337 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -15.848 27.976 1.048 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -17.635 28.402 -1.322 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -17.788 29.051 0.299 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -16.736 30.430 -1.965 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -16.679 30.985 -0.304 1.00 0.00 H new ATOM 84 N GLU A 6 -13.112 28.277 -2.583 1.00 0.00 N ATOM 85 CA GLU A 6 -12.485 27.712 -3.783 1.00 0.00 C ATOM 86 C GLU A 6 -10.967 27.995 -3.809 1.00 0.00 C ATOM 87 O GLU A 6 -10.375 28.318 -4.840 1.00 0.00 O ATOM 88 CB GLU A 6 -13.223 28.208 -5.044 1.00 0.00 C ATOM 89 CG GLU A 6 -12.798 27.458 -6.316 1.00 0.00 C ATOM 90 CD GLU A 6 -13.979 27.183 -7.257 1.00 0.00 C ATOM 91 OE1 GLU A 6 -14.844 26.341 -6.892 1.00 0.00 O ATOM 92 OE2 GLU A 6 -14.002 27.815 -8.340 1.00 0.00 O ATOM 0 H GLU A 6 -12.616 29.096 -2.231 1.00 0.00 H new ATOM 0 HA GLU A 6 -12.579 26.626 -3.763 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -14.297 28.091 -4.900 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -13.033 29.273 -5.175 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -12.045 28.043 -6.844 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -12.331 26.513 -6.038 1.00 0.00 H new ATOM 99 N ALA A 7 -10.318 27.874 -2.647 1.00 0.00 N ATOM 100 CA ALA A 7 -8.868 27.992 -2.494 1.00 0.00 C ATOM 101 C ALA A 7 -8.319 26.760 -1.743 1.00 0.00 C ATOM 102 O ALA A 7 -8.035 26.847 -0.545 1.00 0.00 O ATOM 103 CB ALA A 7 -8.550 29.336 -1.826 1.00 0.00 C ATOM 0 H ALA A 7 -10.799 27.687 -1.767 1.00 0.00 H new ATOM 0 HA ALA A 7 -8.362 27.995 -3.459 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -7.471 29.436 -1.706 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -8.923 30.149 -2.449 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -9.029 29.379 -0.848 1.00 0.00 H new ATOM 109 N PRO A 8 -8.204 25.598 -2.421 1.00 0.00 N ATOM 110 CA PRO A 8 -7.595 24.407 -1.838 1.00 0.00 C ATOM 111 C PRO A 8 -6.059 24.538 -1.762 1.00 0.00 C ATOM 112 O PRO A 8 -5.442 25.380 -2.413 1.00 0.00 O ATOM 113 CB PRO A 8 -8.027 23.246 -2.744 1.00 0.00 C ATOM 114 CG PRO A 8 -8.348 23.880 -4.094 1.00 0.00 C ATOM 115 CD PRO A 8 -8.575 25.365 -3.807 1.00 0.00 C ATOM 0 HA PRO A 8 -7.919 24.249 -0.809 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -7.233 22.505 -2.837 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -8.897 22.732 -2.335 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -7.529 23.738 -4.799 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -9.234 23.427 -4.539 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -7.974 25.982 -4.475 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -9.618 25.634 -3.976 1.00 0.00 H new ATOM 123 N GLY A 9 -5.444 23.651 -0.975 1.00 0.00 N ATOM 124 CA GLY A 9 -4.010 23.633 -0.699 1.00 0.00 C ATOM 125 C GLY A 9 -3.613 22.354 0.038 1.00 0.00 C ATOM 126 O GLY A 9 -4.452 21.483 0.270 1.00 0.00 O ATOM 0 H GLY A 9 -5.949 22.903 -0.499 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -3.455 23.706 -1.634 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -3.740 24.502 -0.099 1.00 0.00 H new ATOM 130 N GLU A 10 -2.340 22.238 0.424 1.00 0.00 N ATOM 131 CA GLU A 10 -1.796 21.079 1.154 1.00 0.00 C ATOM 132 C GLU A 10 -2.207 21.012 2.647 1.00 0.00 C ATOM 133 O GLU A 10 -1.431 20.597 3.506 1.00 0.00 O ATOM 134 CB GLU A 10 -0.270 21.009 0.932 1.00 0.00 C ATOM 135 CG GLU A 10 0.507 22.228 1.459 1.00 0.00 C ATOM 136 CD GLU A 10 0.799 23.224 0.331 1.00 0.00 C ATOM 137 OE1 GLU A 10 -0.165 23.915 -0.076 1.00 0.00 O ATOM 138 OE2 GLU A 10 1.964 23.271 -0.129 1.00 0.00 O ATOM 0 H GLU A 10 -1.642 22.958 0.237 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.252 20.181 0.737 1.00 0.00 H new ATOM 0 HB2 GLU A 10 0.114 20.112 1.417 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.075 20.903 -0.135 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.069 22.720 2.243 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.443 21.899 1.910 1.00 0.00 H new ATOM 145 N ASP A 11 -3.444 21.403 2.963 1.00 0.00 N ATOM 146 CA ASP A 11 -4.021 21.379 4.306 1.00 0.00 C ATOM 147 C ASP A 11 -4.576 19.979 4.625 1.00 0.00 C ATOM 148 O ASP A 11 -5.770 19.704 4.481 1.00 0.00 O ATOM 149 CB ASP A 11 -5.098 22.472 4.445 1.00 0.00 C ATOM 150 CG ASP A 11 -4.514 23.817 4.873 1.00 0.00 C ATOM 151 OD1 ASP A 11 -4.335 24.002 6.096 1.00 0.00 O ATOM 152 OD2 ASP A 11 -4.295 24.660 3.971 1.00 0.00 O ATOM 0 H ASP A 11 -4.095 21.758 2.262 1.00 0.00 H new ATOM 0 HA ASP A 11 -3.240 21.595 5.035 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -5.616 22.591 3.493 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -5.842 22.154 5.175 1.00 0.00 H new ATOM 157 N ALA A 12 -3.695 19.070 5.052 1.00 0.00 N ATOM 158 CA ALA A 12 -4.089 17.740 5.521 1.00 0.00 C ATOM 159 C ALA A 12 -4.673 17.828 6.934 1.00 0.00 C ATOM 160 O ALA A 12 -3.951 18.141 7.878 1.00 0.00 O ATOM 161 CB ALA A 12 -2.881 16.791 5.430 1.00 0.00 C ATOM 0 H ALA A 12 -2.689 19.236 5.082 1.00 0.00 H new ATOM 0 HA ALA A 12 -4.875 17.332 4.886 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -3.170 15.799 5.778 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -2.545 16.728 4.395 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -2.071 17.172 6.052 1.00 0.00 H new ATOM 167 N SER A 13 -5.974 17.562 7.082 1.00 0.00 N ATOM 168 CA SER A 13 -6.681 17.621 8.374 1.00 0.00 C ATOM 169 C SER A 13 -7.380 16.284 8.677 1.00 0.00 C ATOM 170 O SER A 13 -7.878 15.647 7.743 1.00 0.00 O ATOM 171 CB SER A 13 -7.683 18.785 8.361 1.00 0.00 C ATOM 172 OG SER A 13 -7.932 19.259 9.664 1.00 0.00 O ATOM 0 H SER A 13 -6.576 17.296 6.303 1.00 0.00 H new ATOM 0 HA SER A 13 -5.956 17.796 9.169 1.00 0.00 H new ATOM 0 HB2 SER A 13 -7.294 19.596 7.745 1.00 0.00 H new ATOM 0 HB3 SER A 13 -8.618 18.458 7.905 1.00 0.00 H new ATOM 0 HG SER A 13 -8.572 20.000 9.626 1.00 0.00 H new ATOM 178 N PRO A 14 -7.430 15.832 9.949 1.00 0.00 N ATOM 179 CA PRO A 14 -8.128 14.605 10.325 1.00 0.00 C ATOM 180 C PRO A 14 -9.649 14.757 10.196 1.00 0.00 C ATOM 181 O PRO A 14 -10.150 15.824 9.851 1.00 0.00 O ATOM 182 CB PRO A 14 -7.674 14.292 11.753 1.00 0.00 C ATOM 183 CG PRO A 14 -7.194 15.622 12.330 1.00 0.00 C ATOM 184 CD PRO A 14 -6.919 16.520 11.123 1.00 0.00 C ATOM 0 HA PRO A 14 -7.883 13.778 9.659 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -8.493 13.881 12.344 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -6.874 13.551 11.757 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -7.949 16.062 12.981 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -6.295 15.487 12.931 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -7.406 17.487 11.244 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -5.851 16.712 11.022 1.00 0.00 H new ATOM 192 N GLU A 15 -10.380 13.673 10.482 1.00 0.00 N ATOM 193 CA GLU A 15 -11.853 13.612 10.446 1.00 0.00 C ATOM 194 C GLU A 15 -12.460 13.831 9.052 1.00 0.00 C ATOM 195 O GLU A 15 -13.621 14.197 8.925 1.00 0.00 O ATOM 196 CB GLU A 15 -12.487 14.528 11.517 1.00 0.00 C ATOM 197 CG GLU A 15 -11.923 14.308 12.934 1.00 0.00 C ATOM 198 CD GLU A 15 -13.023 14.448 13.997 1.00 0.00 C ATOM 199 OE1 GLU A 15 -13.759 15.463 13.965 1.00 0.00 O ATOM 200 OE2 GLU A 15 -13.162 13.503 14.813 1.00 0.00 O ATOM 0 H GLU A 15 -9.954 12.787 10.753 1.00 0.00 H new ATOM 0 HA GLU A 15 -12.109 12.583 10.698 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -12.331 15.568 11.231 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -13.564 14.360 11.534 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -11.474 13.317 13.000 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -11.131 15.031 13.129 1.00 0.00 H new ATOM 207 N GLU A 16 -11.670 13.568 8.000 1.00 0.00 N ATOM 208 CA GLU A 16 -12.007 13.774 6.586 1.00 0.00 C ATOM 209 C GLU A 16 -10.984 13.073 5.686 1.00 0.00 C ATOM 210 O GLU A 16 -11.383 12.244 4.876 1.00 0.00 O ATOM 211 CB GLU A 16 -12.079 15.280 6.254 1.00 0.00 C ATOM 212 CG GLU A 16 -13.535 15.756 6.075 1.00 0.00 C ATOM 213 CD GLU A 16 -13.699 17.265 6.297 1.00 0.00 C ATOM 214 OE1 GLU A 16 -13.257 17.761 7.354 1.00 0.00 O ATOM 215 OE2 GLU A 16 -14.268 17.911 5.385 1.00 0.00 O ATOM 0 H GLU A 16 -10.732 13.187 8.120 1.00 0.00 H new ATOM 0 HA GLU A 16 -12.989 13.338 6.400 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -11.605 15.852 7.052 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -11.516 15.479 5.342 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -13.874 15.502 5.071 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -14.176 15.219 6.774 1.00 0.00 H new ATOM 222 N LEU A 17 -9.672 13.322 5.854 1.00 0.00 N ATOM 223 CA LEU A 17 -8.626 12.660 5.079 1.00 0.00 C ATOM 224 C LEU A 17 -8.668 11.152 5.303 1.00 0.00 C ATOM 225 O LEU A 17 -8.968 10.378 4.398 1.00 0.00 O ATOM 226 CB LEU A 17 -7.269 13.307 5.425 1.00 0.00 C ATOM 227 CG LEU A 17 -6.022 12.400 5.376 1.00 0.00 C ATOM 228 CD1 LEU A 17 -5.914 11.540 4.114 1.00 0.00 C ATOM 229 CD2 LEU A 17 -4.766 13.227 5.628 1.00 0.00 C ATOM 0 H LEU A 17 -9.315 13.992 6.535 1.00 0.00 H new ATOM 0 HA LEU A 17 -8.787 12.798 4.010 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -7.108 14.140 4.741 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -7.341 13.728 6.428 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.132 11.672 6.179 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.009 10.934 4.163 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.784 10.887 4.043 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.872 12.185 3.237 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.890 12.579 5.592 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.679 13.998 4.863 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.830 13.696 6.610 1.00 0.00 H new ATOM 241 N SER A 18 -8.381 10.718 6.542 1.00 0.00 N ATOM 242 CA SER A 18 -8.340 9.293 6.843 1.00 0.00 C ATOM 243 C SER A 18 -9.722 8.671 6.676 1.00 0.00 C ATOM 244 O SER A 18 -9.813 7.470 6.492 1.00 0.00 O ATOM 245 CB SER A 18 -7.810 9.020 8.253 1.00 0.00 C ATOM 246 OG SER A 18 -6.950 7.902 8.210 1.00 0.00 O ATOM 0 H SER A 18 -8.178 11.329 7.334 1.00 0.00 H new ATOM 0 HA SER A 18 -7.651 8.834 6.134 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.276 9.892 8.630 1.00 0.00 H new ATOM 0 HB3 SER A 18 -8.638 8.833 8.937 1.00 0.00 H new ATOM 0 HG SER A 18 -6.604 7.720 9.109 1.00 0.00 H new ATOM 252 N ARG A 19 -10.787 9.482 6.638 1.00 0.00 N ATOM 253 CA ARG A 19 -12.156 9.059 6.351 1.00 0.00 C ATOM 254 C ARG A 19 -12.281 8.416 4.967 1.00 0.00 C ATOM 255 O ARG A 19 -13.120 7.539 4.803 1.00 0.00 O ATOM 256 CB ARG A 19 -13.085 10.276 6.506 1.00 0.00 C ATOM 257 CG ARG A 19 -14.424 9.939 7.175 1.00 0.00 C ATOM 258 CD ARG A 19 -15.599 9.954 6.190 1.00 0.00 C ATOM 259 NE ARG A 19 -16.473 8.789 6.380 1.00 0.00 N ATOM 260 CZ ARG A 19 -17.686 8.611 5.876 1.00 0.00 C ATOM 261 NH1 ARG A 19 -18.266 9.531 5.139 1.00 0.00 N ATOM 262 NH2 ARG A 19 -18.327 7.488 6.098 1.00 0.00 N ATOM 0 H ARG A 19 -10.712 10.484 6.813 1.00 0.00 H new ATOM 0 HA ARG A 19 -12.450 8.286 7.061 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -12.576 11.040 7.094 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -13.276 10.705 5.523 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -14.356 8.955 7.638 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -14.616 10.655 7.974 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -16.176 10.869 6.324 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -15.219 9.963 5.168 1.00 0.00 H new ATOM 0 HE ARG A 19 -16.107 8.036 6.962 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -17.782 10.407 4.943 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -19.200 9.369 4.763 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -17.892 6.754 6.657 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -19.261 7.349 5.711 1.00 0.00 H new ATOM 276 N TYR A 20 -11.425 8.781 4.008 1.00 0.00 N ATOM 277 CA TYR A 20 -11.345 8.144 2.690 1.00 0.00 C ATOM 278 C TYR A 20 -10.721 6.745 2.802 1.00 0.00 C ATOM 279 O TYR A 20 -11.280 5.763 2.312 1.00 0.00 O ATOM 280 CB TYR A 20 -10.544 9.051 1.737 1.00 0.00 C ATOM 281 CG TYR A 20 -10.962 10.519 1.730 1.00 0.00 C ATOM 282 CD1 TYR A 20 -12.326 10.875 1.759 1.00 0.00 C ATOM 283 CD2 TYR A 20 -9.983 11.527 1.769 1.00 0.00 C ATOM 284 CE1 TYR A 20 -12.708 12.224 1.883 1.00 0.00 C ATOM 285 CE2 TYR A 20 -10.356 12.883 1.854 1.00 0.00 C ATOM 286 CZ TYR A 20 -11.718 13.230 1.940 1.00 0.00 C ATOM 287 OH TYR A 20 -12.073 14.528 2.136 1.00 0.00 O ATOM 0 H TYR A 20 -10.756 9.541 4.128 1.00 0.00 H new ATOM 0 HA TYR A 20 -12.348 8.015 2.284 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -9.489 8.992 2.006 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -10.637 8.659 0.724 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -13.082 10.108 1.686 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -8.937 11.260 1.734 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -13.754 12.489 1.934 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -9.600 13.654 1.853 1.00 0.00 H new ATOM 0 HH TYR A 20 -11.269 15.088 2.150 1.00 0.00 H new ATOM 297 N TYR A 21 -9.580 6.655 3.495 1.00 0.00 N ATOM 298 CA TYR A 21 -8.805 5.428 3.660 1.00 0.00 C ATOM 299 C TYR A 21 -9.483 4.435 4.602 1.00 0.00 C ATOM 300 O TYR A 21 -9.564 3.258 4.290 1.00 0.00 O ATOM 301 CB TYR A 21 -7.396 5.779 4.161 1.00 0.00 C ATOM 302 CG TYR A 21 -6.312 4.906 3.567 1.00 0.00 C ATOM 303 CD1 TYR A 21 -5.989 5.051 2.207 1.00 0.00 C ATOM 304 CD2 TYR A 21 -5.619 3.969 4.360 1.00 0.00 C ATOM 305 CE1 TYR A 21 -4.968 4.272 1.635 1.00 0.00 C ATOM 306 CE2 TYR A 21 -4.595 3.182 3.788 1.00 0.00 C ATOM 307 CZ TYR A 21 -4.273 3.335 2.430 1.00 0.00 C ATOM 308 OH TYR A 21 -3.297 2.579 1.851 1.00 0.00 O ATOM 0 H TYR A 21 -9.162 7.457 3.967 1.00 0.00 H new ATOM 0 HA TYR A 21 -8.738 4.938 2.689 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -7.183 6.821 3.924 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -7.371 5.688 5.247 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -6.527 5.763 1.599 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -5.871 3.853 5.404 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -4.716 4.390 0.591 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -4.061 2.465 4.394 1.00 0.00 H new ATOM 0 HH TYR A 21 -2.906 1.980 2.521 1.00 0.00 H new ATOM 318 N ALA A 22 -10.008 4.901 5.741 1.00 0.00 N ATOM 319 CA ALA A 22 -10.748 4.142 6.740 1.00 0.00 C ATOM 320 C ALA A 22 -12.028 3.523 6.164 1.00 0.00 C ATOM 321 O ALA A 22 -12.332 2.368 6.445 1.00 0.00 O ATOM 322 CB ALA A 22 -11.083 5.068 7.917 1.00 0.00 C ATOM 0 H ALA A 22 -9.918 5.883 6.001 1.00 0.00 H new ATOM 0 HA ALA A 22 -10.123 3.315 7.078 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -11.637 4.511 8.672 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.160 5.450 8.353 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -11.690 5.902 7.563 1.00 0.00 H new ATOM 328 N SER A 23 -12.763 4.271 5.325 1.00 0.00 N ATOM 329 CA SER A 23 -13.923 3.724 4.622 1.00 0.00 C ATOM 330 C SER A 23 -13.503 2.687 3.581 1.00 0.00 C ATOM 331 O SER A 23 -14.054 1.590 3.556 1.00 0.00 O ATOM 332 CB SER A 23 -14.766 4.831 3.985 1.00 0.00 C ATOM 333 OG SER A 23 -16.140 4.547 4.170 1.00 0.00 O ATOM 0 H SER A 23 -12.571 5.252 5.121 1.00 0.00 H new ATOM 0 HA SER A 23 -14.544 3.221 5.363 1.00 0.00 H new ATOM 0 HB2 SER A 23 -14.520 5.793 4.433 1.00 0.00 H new ATOM 0 HB3 SER A 23 -14.540 4.908 2.921 1.00 0.00 H new ATOM 0 HG SER A 23 -16.679 5.258 3.763 1.00 0.00 H new ATOM 339 N LEU A 24 -12.495 2.993 2.749 1.00 0.00 N ATOM 340 CA LEU A 24 -11.956 2.033 1.779 1.00 0.00 C ATOM 341 C LEU A 24 -11.387 0.776 2.476 1.00 0.00 C ATOM 342 O LEU A 24 -11.564 -0.342 1.987 1.00 0.00 O ATOM 343 CB LEU A 24 -10.918 2.755 0.899 1.00 0.00 C ATOM 344 CG LEU A 24 -10.556 1.971 -0.370 1.00 0.00 C ATOM 345 CD1 LEU A 24 -11.580 2.202 -1.500 1.00 0.00 C ATOM 346 CD2 LEU A 24 -9.148 2.336 -0.866 1.00 0.00 C ATOM 0 H LEU A 24 -12.036 3.904 2.731 1.00 0.00 H new ATOM 0 HA LEU A 24 -12.757 1.665 1.137 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -11.307 3.733 0.616 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -10.014 2.929 1.482 1.00 0.00 H new ATOM 0 HG LEU A 24 -10.575 0.915 -0.101 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -11.286 1.629 -2.380 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -12.567 1.878 -1.169 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -11.612 3.262 -1.751 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -8.920 1.765 -1.766 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -9.107 3.401 -1.092 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -8.417 2.101 -0.092 1.00 0.00 H new ATOM 358 N ARG A 25 -10.792 0.946 3.666 1.00 0.00 N ATOM 359 CA ARG A 25 -10.298 -0.105 4.569 1.00 0.00 C ATOM 360 C ARG A 25 -11.395 -1.063 5.035 1.00 0.00 C ATOM 361 O ARG A 25 -11.057 -2.154 5.472 1.00 0.00 O ATOM 362 CB ARG A 25 -9.505 0.501 5.749 1.00 0.00 C ATOM 363 CG ARG A 25 -9.091 -0.533 6.810 1.00 0.00 C ATOM 364 CD ARG A 25 -8.005 -0.050 7.771 1.00 0.00 C ATOM 365 NE ARG A 25 -7.687 -1.108 8.751 1.00 0.00 N ATOM 366 CZ ARG A 25 -6.757 -1.071 9.696 1.00 0.00 C ATOM 367 NH1 ARG A 25 -5.975 -0.029 9.857 1.00 0.00 N ATOM 368 NH2 ARG A 25 -6.594 -2.093 10.507 1.00 0.00 N ATOM 0 H ARG A 25 -10.633 1.879 4.047 1.00 0.00 H new ATOM 0 HA ARG A 25 -9.608 -0.718 3.989 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -8.611 0.989 5.362 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -10.110 1.273 6.224 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -9.971 -0.815 7.388 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -8.739 -1.433 6.305 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -7.109 0.221 7.213 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -8.341 0.848 8.290 1.00 0.00 H new ATOM 0 HE ARG A 25 -8.244 -1.961 8.695 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -6.074 0.782 9.246 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -5.269 -0.030 10.593 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -7.184 -2.919 10.411 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -5.877 -2.059 11.232 1.00 0.00 H new ATOM 382 N HIS A 26 -12.674 -0.701 4.913 1.00 0.00 N ATOM 383 CA HIS A 26 -13.794 -1.568 5.261 1.00 0.00 C ATOM 384 C HIS A 26 -14.017 -2.646 4.198 1.00 0.00 C ATOM 385 O HIS A 26 -13.932 -3.839 4.484 1.00 0.00 O ATOM 386 CB HIS A 26 -15.047 -0.711 5.446 1.00 0.00 C ATOM 387 CG HIS A 26 -16.140 -1.454 6.152 1.00 0.00 C ATOM 388 ND1 HIS A 26 -16.469 -1.320 7.482 1.00 0.00 N ATOM 389 CD2 HIS A 26 -16.961 -2.410 5.618 1.00 0.00 C ATOM 390 CE1 HIS A 26 -17.472 -2.176 7.733 1.00 0.00 C ATOM 391 NE2 HIS A 26 -17.800 -2.870 6.634 1.00 0.00 N ATOM 0 H HIS A 26 -12.961 0.214 4.565 1.00 0.00 H new ATOM 0 HA HIS A 26 -13.568 -2.085 6.193 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -14.793 0.184 6.014 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -15.406 -0.379 4.472 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -16.960 -2.748 4.592 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -17.952 -2.291 8.694 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -18.519 -3.590 6.556 1.00 0.00 H new ATOM 398 N TYR A 27 -14.273 -2.226 2.949 1.00 0.00 N ATOM 399 CA TYR A 27 -14.414 -3.140 1.818 1.00 0.00 C ATOM 400 C TYR A 27 -13.157 -3.994 1.659 1.00 0.00 C ATOM 401 O TYR A 27 -13.243 -5.218 1.648 1.00 0.00 O ATOM 402 CB TYR A 27 -14.725 -2.352 0.545 1.00 0.00 C ATOM 403 CG TYR A 27 -15.061 -3.220 -0.658 1.00 0.00 C ATOM 404 CD1 TYR A 27 -16.173 -4.083 -0.619 1.00 0.00 C ATOM 405 CD2 TYR A 27 -14.268 -3.163 -1.817 1.00 0.00 C ATOM 406 CE1 TYR A 27 -16.486 -4.894 -1.726 1.00 0.00 C ATOM 407 CE2 TYR A 27 -14.578 -3.968 -2.933 1.00 0.00 C ATOM 408 CZ TYR A 27 -15.691 -4.838 -2.885 1.00 0.00 C ATOM 409 OH TYR A 27 -15.982 -5.642 -3.944 1.00 0.00 O ATOM 0 H TYR A 27 -14.387 -1.243 2.701 1.00 0.00 H new ATOM 0 HA TYR A 27 -15.247 -3.817 2.007 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -15.562 -1.682 0.741 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -13.867 -1.726 0.299 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -16.790 -4.123 0.266 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -13.417 -2.499 -1.853 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -17.336 -5.559 -1.686 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -13.967 -3.920 -3.822 1.00 0.00 H new ATOM 0 HH TYR A 27 -15.338 -5.480 -4.665 1.00 0.00 H new ATOM 419 N LEU A 28 -11.973 -3.372 1.660 1.00 0.00 N ATOM 420 CA LEU A 28 -10.703 -4.100 1.608 1.00 0.00 C ATOM 421 C LEU A 28 -10.519 -5.094 2.799 1.00 0.00 C ATOM 422 O LEU A 28 -9.758 -6.053 2.694 1.00 0.00 O ATOM 423 CB LEU A 28 -9.568 -3.085 1.316 1.00 0.00 C ATOM 424 CG LEU A 28 -8.433 -3.046 2.349 1.00 0.00 C ATOM 425 CD1 LEU A 28 -7.368 -4.120 2.057 1.00 0.00 C ATOM 426 CD2 LEU A 28 -7.771 -1.665 2.468 1.00 0.00 C ATOM 0 H LEU A 28 -11.869 -2.358 1.697 1.00 0.00 H new ATOM 0 HA LEU A 28 -10.680 -4.804 0.776 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -9.140 -3.316 0.341 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -10.005 -2.089 1.244 1.00 0.00 H new ATOM 0 HG LEU A 28 -8.902 -3.262 3.309 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.579 -4.064 2.807 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -7.829 -5.107 2.088 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.941 -3.950 1.069 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.977 -1.705 3.214 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.349 -1.380 1.504 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -8.516 -0.929 2.770 1.00 0.00 H new ATOM 438 N ASN A 29 -11.260 -4.953 3.906 1.00 0.00 N ATOM 439 CA ASN A 29 -11.263 -5.882 5.032 1.00 0.00 C ATOM 440 C ASN A 29 -12.059 -7.157 4.715 1.00 0.00 C ATOM 441 O ASN A 29 -11.553 -8.277 4.794 1.00 0.00 O ATOM 442 CB ASN A 29 -11.858 -5.179 6.259 1.00 0.00 C ATOM 443 CG ASN A 29 -10.992 -5.300 7.493 1.00 0.00 C ATOM 444 OD1 ASN A 29 -10.834 -6.361 8.071 1.00 0.00 O ATOM 445 ND2 ASN A 29 -10.421 -4.195 7.926 1.00 0.00 N ATOM 0 H ASN A 29 -11.891 -4.164 4.042 1.00 0.00 H new ATOM 0 HA ASN A 29 -10.235 -6.183 5.234 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -12.006 -4.124 6.029 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -12.841 -5.600 6.470 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -9.834 -4.217 8.760 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -10.566 -3.317 7.428 1.00 0.00 H new ATOM 452 N LEU A 30 -13.334 -6.985 4.353 1.00 0.00 N ATOM 453 CA LEU A 30 -14.210 -8.099 3.996 1.00 0.00 C ATOM 454 C LEU A 30 -13.825 -8.762 2.664 1.00 0.00 C ATOM 455 O LEU A 30 -14.225 -9.900 2.420 1.00 0.00 O ATOM 456 CB LEU A 30 -15.687 -7.675 4.107 1.00 0.00 C ATOM 457 CG LEU A 30 -16.078 -6.520 3.157 1.00 0.00 C ATOM 458 CD1 LEU A 30 -16.880 -7.001 1.944 1.00 0.00 C ATOM 459 CD2 LEU A 30 -16.853 -5.442 3.910 1.00 0.00 C ATOM 0 H LEU A 30 -13.784 -6.071 4.300 1.00 0.00 H new ATOM 0 HA LEU A 30 -14.066 -8.899 4.722 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -16.320 -8.537 3.895 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -15.892 -7.373 5.134 1.00 0.00 H new ATOM 0 HG LEU A 30 -15.148 -6.096 2.779 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -17.128 -6.149 1.311 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -16.285 -7.715 1.375 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -17.798 -7.481 2.282 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -17.119 -4.638 3.223 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -17.761 -5.874 4.332 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -16.234 -5.043 4.713 1.00 0.00 H new ATOM 471 N VAL A 31 -12.992 -8.089 1.870 1.00 0.00 N ATOM 472 CA VAL A 31 -12.347 -8.592 0.659 1.00 0.00 C ATOM 473 C VAL A 31 -11.065 -9.363 0.964 1.00 0.00 C ATOM 474 O VAL A 31 -10.804 -10.382 0.329 1.00 0.00 O ATOM 475 CB VAL A 31 -12.087 -7.436 -0.321 1.00 0.00 C ATOM 476 CG1 VAL A 31 -11.227 -7.806 -1.534 1.00 0.00 C ATOM 477 CG2 VAL A 31 -13.404 -6.844 -0.849 1.00 0.00 C ATOM 0 H VAL A 31 -12.735 -7.122 2.067 1.00 0.00 H new ATOM 0 HA VAL A 31 -13.028 -9.302 0.189 1.00 0.00 H new ATOM 0 HB VAL A 31 -11.532 -6.710 0.273 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -11.097 -6.929 -2.169 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -10.252 -8.157 -1.195 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -11.719 -8.595 -2.102 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -13.186 -6.029 -1.539 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -13.968 -7.618 -1.369 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -13.993 -6.464 -0.014 1.00 0.00 H new ATOM 487 N THR A 32 -10.276 -8.927 1.951 1.00 0.00 N ATOM 488 CA THR A 32 -9.061 -9.633 2.351 1.00 0.00 C ATOM 489 C THR A 32 -9.387 -10.935 3.062 1.00 0.00 C ATOM 490 O THR A 32 -8.748 -11.928 2.755 1.00 0.00 O ATOM 491 CB THR A 32 -8.120 -8.786 3.215 1.00 0.00 C ATOM 492 OG1 THR A 32 -8.781 -8.005 4.169 1.00 0.00 O ATOM 493 CG2 THR A 32 -7.263 -7.847 2.369 1.00 0.00 C ATOM 0 H THR A 32 -10.462 -8.081 2.490 1.00 0.00 H new ATOM 0 HA THR A 32 -8.532 -9.852 1.423 1.00 0.00 H new ATOM 0 HB THR A 32 -7.499 -9.519 3.730 1.00 0.00 H new ATOM 0 HG1 THR A 32 -8.941 -7.109 3.805 1.00 0.00 H new ATOM 0 HG21 THR A 32 -6.610 -7.265 3.020 1.00 0.00 H new ATOM 0 HG22 THR A 32 -6.657 -8.432 1.677 1.00 0.00 H new ATOM 0 HG23 THR A 32 -7.909 -7.173 1.806 1.00 0.00 H new ATOM 501 N ARG A 33 -10.389 -10.972 3.950 1.00 0.00 N ATOM 502 CA ARG A 33 -10.814 -12.190 4.685 1.00 0.00 C ATOM 503 C ARG A 33 -10.891 -13.443 3.811 1.00 0.00 C ATOM 504 O ARG A 33 -10.362 -14.479 4.202 1.00 0.00 O ATOM 505 CB ARG A 33 -12.155 -11.970 5.392 1.00 0.00 C ATOM 506 CG ARG A 33 -11.990 -11.541 6.863 1.00 0.00 C ATOM 507 CD ARG A 33 -12.649 -10.188 7.163 1.00 0.00 C ATOM 508 NE ARG A 33 -13.378 -10.213 8.447 1.00 0.00 N ATOM 509 CZ ARG A 33 -14.541 -10.810 8.672 1.00 0.00 C ATOM 510 NH1 ARG A 33 -15.176 -11.471 7.728 1.00 0.00 N ATOM 511 NH2 ARG A 33 -15.092 -10.761 9.861 1.00 0.00 N ATOM 0 H ARG A 33 -10.941 -10.148 4.188 1.00 0.00 H new ATOM 0 HA ARG A 33 -10.033 -12.367 5.424 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -12.722 -11.208 4.857 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -12.738 -12.890 5.350 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -12.424 -12.303 7.510 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -10.928 -11.485 7.104 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -11.887 -9.409 7.191 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -13.337 -9.931 6.358 1.00 0.00 H new ATOM 0 HE ARG A 33 -12.948 -9.726 9.233 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -14.775 -11.535 6.792 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -16.069 -11.920 7.932 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -14.626 -10.262 10.619 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -15.986 -11.222 10.028 1.00 0.00 H new ATOM 525 N GLN A 34 -11.491 -13.317 2.619 1.00 0.00 N ATOM 526 CA GLN A 34 -11.583 -14.362 1.588 1.00 0.00 C ATOM 527 C GLN A 34 -10.241 -15.053 1.317 1.00 0.00 C ATOM 528 O GLN A 34 -10.191 -16.275 1.182 1.00 0.00 O ATOM 529 CB GLN A 34 -12.131 -13.728 0.301 1.00 0.00 C ATOM 530 CG GLN A 34 -13.663 -13.566 0.308 1.00 0.00 C ATOM 531 CD GLN A 34 -14.375 -14.617 -0.550 1.00 0.00 C ATOM 532 OE1 GLN A 34 -13.943 -15.747 -0.723 1.00 0.00 O ATOM 533 NE2 GLN A 34 -15.498 -14.270 -1.148 1.00 0.00 N ATOM 0 H GLN A 34 -11.944 -12.449 2.335 1.00 0.00 H new ATOM 0 HA GLN A 34 -12.255 -15.140 1.951 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -11.670 -12.751 0.160 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -11.841 -14.343 -0.551 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -14.026 -13.634 1.333 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -13.920 -12.571 -0.056 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -15.877 -13.332 -1.017 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -15.988 -14.940 -1.741 1.00 0.00 H new ATOM 542 N ARG A 35 -9.147 -14.278 1.247 1.00 0.00 N ATOM 543 CA ARG A 35 -7.775 -14.749 1.021 1.00 0.00 C ATOM 544 C ARG A 35 -6.773 -14.048 1.953 1.00 0.00 C ATOM 545 O ARG A 35 -5.788 -13.472 1.510 1.00 0.00 O ATOM 546 CB ARG A 35 -7.406 -14.578 -0.470 1.00 0.00 C ATOM 547 CG ARG A 35 -8.167 -15.531 -1.413 1.00 0.00 C ATOM 548 CD ARG A 35 -7.214 -16.396 -2.240 1.00 0.00 C ATOM 549 NE ARG A 35 -6.722 -17.557 -1.468 1.00 0.00 N ATOM 550 CZ ARG A 35 -5.617 -18.259 -1.697 1.00 0.00 C ATOM 551 NH1 ARG A 35 -4.803 -17.932 -2.654 1.00 0.00 N ATOM 552 NH2 ARG A 35 -5.323 -19.312 -0.961 1.00 0.00 N ATOM 0 H ARG A 35 -9.199 -13.265 1.351 1.00 0.00 H new ATOM 0 HA ARG A 35 -7.722 -15.810 1.266 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -7.607 -13.549 -0.769 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -6.335 -14.741 -0.591 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -8.824 -16.173 -0.827 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -8.802 -14.950 -2.081 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -7.725 -16.745 -3.137 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -6.368 -15.793 -2.570 1.00 0.00 H new ATOM 0 HE ARG A 35 -7.292 -17.851 -0.675 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -5.007 -17.125 -3.244 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -3.959 -18.482 -2.816 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -5.947 -19.596 -0.206 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -4.472 -19.843 -1.147 1.00 0.00 H new ATOM 566 N TYR A 36 -7.039 -14.113 3.270 1.00 0.00 N ATOM 567 CA TYR A 36 -6.219 -13.438 4.284 1.00 0.00 C ATOM 568 C TYR A 36 -4.906 -14.193 4.528 1.00 0.00 C ATOM 569 O TYR A 36 -3.819 -13.630 4.509 1.00 0.00 O ATOM 570 CB TYR A 36 -7.024 -13.295 5.578 1.00 0.00 C ATOM 571 CG TYR A 36 -6.695 -12.066 6.409 1.00 0.00 C ATOM 572 CD1 TYR A 36 -7.378 -10.861 6.161 1.00 0.00 C ATOM 573 CD2 TYR A 36 -5.722 -12.120 7.426 1.00 0.00 C ATOM 574 CE1 TYR A 36 -7.084 -9.700 6.899 1.00 0.00 C ATOM 575 CE2 TYR A 36 -5.440 -10.969 8.189 1.00 0.00 C ATOM 576 CZ TYR A 36 -6.108 -9.755 7.917 1.00 0.00 C ATOM 577 OH TYR A 36 -5.777 -8.638 8.618 1.00 0.00 O ATOM 0 H TYR A 36 -7.826 -14.634 3.657 1.00 0.00 H new ATOM 0 HA TYR A 36 -5.955 -12.445 3.921 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -8.085 -13.272 5.327 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -6.860 -14.182 6.189 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -8.138 -10.827 5.394 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -5.193 -13.041 7.621 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -7.600 -8.775 6.689 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -4.711 -11.016 8.984 1.00 0.00 H new ATOM 0 HH TYR A 36 -5.089 -8.859 9.280 1.00 0.00 H new HETATM 587 N NH2 A 37 -4.972 -15.494 4.764 1.00 0.00 N TER 590 NH2 A 37