USER MOD reduce.3.24.130724 H: found=0, std=0, add=464, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 461 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 1 MET CE :methyl 166:sc= -0.214 (180deg=-0.351) USER MOD Single : A 1 MET N :NH3+ -105:sc= -0.796 (180deg=-2) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ -148:sc= 0.957 (180deg=-2.05!) USER MOD Single : A 12 THR OG1 : rot -14:sc= 0.364 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -0.285 X(o=-0.28,f=-0.64) USER MOD Single : A 35 ASN : amide:sc= -0.954 K(o=-0.95,f=-2.2!) USER MOD Single : A 37 TYR OH : rot 180:sc= -0.129 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.444 K(o=-0.44,f=-1.5) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -1.87 K(o=-1.9,f=-5.5!) USER MOD Single : A 52 TYR OH : rot -19:sc= 0.473 USER MOD Single : B 1 VAL N :NH3+ 139:sc= -0.0219 (180deg=-0.663) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.938 2.672 4.131 1.00 0.00 N ATOM 2 CA MET A 1 8.291 1.360 3.591 1.00 0.00 C ATOM 3 C MET A 1 7.736 1.195 2.165 1.00 0.00 C ATOM 4 O MET A 1 6.749 1.805 1.753 1.00 0.00 O ATOM 5 CB MET A 1 7.982 0.170 4.499 1.00 0.00 C ATOM 6 CG MET A 1 6.616 0.163 5.117 1.00 0.00 C ATOM 7 SD MET A 1 5.350 -0.385 3.953 1.00 0.00 S ATOM 8 CE MET A 1 4.120 -0.949 5.140 1.00 0.00 C ATOM 0 H1 MET A 1 8.776 3.288 4.122 1.00 0.00 H new ATOM 0 H2 MET A 1 7.189 3.097 3.548 1.00 0.00 H new ATOM 0 H3 MET A 1 7.598 2.565 5.108 1.00 0.00 H new ATOM 0 HA MET A 1 9.380 1.344 3.541 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.104 -0.746 3.921 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.723 0.144 5.298 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.616 -0.492 5.988 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.373 1.165 5.472 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.166 -1.095 4.634 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.445 -1.892 5.581 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.003 -0.202 5.926 1.00 0.00 H new ATOM 18 N GLU A 2 8.499 0.321 1.465 1.00 0.00 N ATOM 19 CA GLU A 2 8.219 -0.060 0.093 1.00 0.00 C ATOM 20 C GLU A 2 7.056 -1.060 0.118 1.00 0.00 C ATOM 21 O GLU A 2 7.146 -2.160 0.646 1.00 0.00 O ATOM 22 CB GLU A 2 9.456 -0.706 -0.553 1.00 0.00 C ATOM 23 CG GLU A 2 10.685 0.216 -0.595 1.00 0.00 C ATOM 24 CD GLU A 2 11.843 -0.436 -1.382 1.00 0.00 C ATOM 25 OE1 GLU A 2 12.242 -1.549 -1.040 1.00 0.00 O ATOM 26 OE2 GLU A 2 12.334 0.176 -2.331 1.00 0.00 O ATOM 0 H GLU A 2 9.326 -0.132 1.854 1.00 0.00 H new ATOM 0 HA GLU A 2 7.959 0.820 -0.496 1.00 0.00 H new ATOM 0 HB2 GLU A 2 9.711 -1.612 -0.002 1.00 0.00 H new ATOM 0 HB3 GLU A 2 9.207 -1.011 -1.569 1.00 0.00 H new ATOM 0 HG2 GLU A 2 10.416 1.165 -1.058 1.00 0.00 H new ATOM 0 HG3 GLU A 2 11.012 0.438 0.421 1.00 0.00 H new ATOM 33 N ALA A 3 5.965 -0.571 -0.486 1.00 0.00 N ATOM 34 CA ALA A 3 4.705 -1.279 -0.610 1.00 0.00 C ATOM 35 C ALA A 3 4.618 -1.836 -2.036 1.00 0.00 C ATOM 36 O ALA A 3 5.069 -1.212 -2.988 1.00 0.00 O ATOM 37 CB ALA A 3 3.661 -0.221 -0.295 1.00 0.00 C ATOM 0 H ALA A 3 5.945 0.356 -0.911 1.00 0.00 H new ATOM 0 HA ALA A 3 4.575 -2.134 0.053 1.00 0.00 H new ATOM 0 HB1 ALA A 3 2.666 -0.660 -0.363 1.00 0.00 H new ATOM 0 HB2 ALA A 3 3.822 0.160 0.714 1.00 0.00 H new ATOM 0 HB3 ALA A 3 3.745 0.598 -1.010 1.00 0.00 H new ATOM 43 N ILE A 4 4.030 -3.051 -2.107 1.00 0.00 N ATOM 44 CA ILE A 4 3.935 -3.777 -3.370 1.00 0.00 C ATOM 45 C ILE A 4 2.537 -4.393 -3.533 1.00 0.00 C ATOM 46 O ILE A 4 2.161 -5.304 -2.807 1.00 0.00 O ATOM 47 CB ILE A 4 4.971 -4.926 -3.294 1.00 0.00 C ATOM 48 CG1 ILE A 4 6.427 -4.442 -3.118 1.00 0.00 C ATOM 49 CG2 ILE A 4 4.879 -5.931 -4.457 1.00 0.00 C ATOM 50 CD1 ILE A 4 6.984 -3.653 -4.308 1.00 0.00 C ATOM 0 H ILE A 4 3.622 -3.536 -1.308 1.00 0.00 H new ATOM 0 HA ILE A 4 4.118 -3.106 -4.210 1.00 0.00 H new ATOM 0 HB ILE A 4 4.689 -5.456 -2.384 1.00 0.00 H new ATOM 0 HG12 ILE A 4 6.483 -3.818 -2.226 1.00 0.00 H new ATOM 0 HG13 ILE A 4 7.065 -5.308 -2.942 1.00 0.00 H new ATOM 0 HG21 ILE A 4 5.637 -6.704 -4.331 1.00 0.00 H new ATOM 0 HG22 ILE A 4 3.890 -6.390 -4.464 1.00 0.00 H new ATOM 0 HG23 ILE A 4 5.044 -5.411 -5.401 1.00 0.00 H new ATOM 0 HD11 ILE A 4 8.011 -3.353 -4.097 1.00 0.00 H new ATOM 0 HD12 ILE A 4 6.964 -4.278 -5.200 1.00 0.00 H new ATOM 0 HD13 ILE A 4 6.374 -2.765 -4.474 1.00 0.00 H new ATOM 62 N ALA A 5 1.800 -3.847 -4.518 1.00 0.00 N ATOM 63 CA ALA A 5 0.473 -4.364 -4.824 1.00 0.00 C ATOM 64 C ALA A 5 0.593 -5.791 -5.419 1.00 0.00 C ATOM 65 O ALA A 5 1.233 -6.007 -6.439 1.00 0.00 O ATOM 66 CB ALA A 5 -0.191 -3.438 -5.844 1.00 0.00 C ATOM 0 H ALA A 5 2.101 -3.065 -5.099 1.00 0.00 H new ATOM 0 HA ALA A 5 -0.126 -4.407 -3.915 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -1.186 -3.813 -6.083 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -0.272 -2.435 -5.426 1.00 0.00 H new ATOM 0 HB3 ALA A 5 0.411 -3.405 -6.752 1.00 0.00 H new ATOM 72 N LYS A 6 -0.078 -6.732 -4.733 1.00 0.00 N ATOM 73 CA LYS A 6 -0.086 -8.134 -5.147 1.00 0.00 C ATOM 74 C LYS A 6 -1.217 -8.444 -6.132 1.00 0.00 C ATOM 75 O LYS A 6 -1.125 -9.367 -6.930 1.00 0.00 O ATOM 76 CB LYS A 6 -0.311 -9.011 -3.921 1.00 0.00 C ATOM 77 CG LYS A 6 0.870 -8.951 -2.962 1.00 0.00 C ATOM 78 CD LYS A 6 1.125 -10.314 -2.322 1.00 0.00 C ATOM 79 CE LYS A 6 0.073 -10.683 -1.274 1.00 0.00 C ATOM 80 NZ LYS A 6 0.392 -11.943 -0.612 1.00 0.00 N ATOM 0 H LYS A 6 -0.620 -6.541 -3.890 1.00 0.00 H new ATOM 0 HA LYS A 6 0.871 -8.331 -5.630 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -1.216 -8.690 -3.405 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -0.472 -10.042 -4.236 1.00 0.00 H new ATOM 0 HG2 LYS A 6 1.761 -8.624 -3.497 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.675 -8.211 -2.185 1.00 0.00 H new ATOM 0 HD2 LYS A 6 1.141 -11.078 -3.099 1.00 0.00 H new ATOM 0 HD3 LYS A 6 2.110 -10.313 -1.856 1.00 0.00 H new ATOM 0 HE2 LYS A 6 0.005 -9.888 -0.531 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -0.905 -10.759 -1.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -0.342 -12.161 0.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 0.433 -12.706 -1.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 1.313 -11.862 -0.137 1.00 0.00 H new ATOM 94 N TYR A 7 -2.271 -7.616 -6.022 1.00 0.00 N ATOM 95 CA TYR A 7 -3.448 -7.794 -6.870 1.00 0.00 C ATOM 96 C TYR A 7 -3.934 -6.432 -7.374 1.00 0.00 C ATOM 97 O TYR A 7 -3.430 -5.378 -7.009 1.00 0.00 O ATOM 98 CB TYR A 7 -4.550 -8.505 -6.062 1.00 0.00 C ATOM 99 CG TYR A 7 -4.165 -9.919 -5.703 1.00 0.00 C ATOM 100 CD1 TYR A 7 -4.363 -10.954 -6.607 1.00 0.00 C ATOM 101 CD2 TYR A 7 -3.610 -10.213 -4.464 1.00 0.00 C ATOM 102 CE1 TYR A 7 -4.041 -12.265 -6.283 1.00 0.00 C ATOM 103 CE2 TYR A 7 -3.259 -11.513 -4.130 1.00 0.00 C ATOM 104 CZ TYR A 7 -3.487 -12.560 -5.033 1.00 0.00 C ATOM 105 OH TYR A 7 -3.148 -13.871 -4.707 1.00 0.00 O ATOM 0 H TYR A 7 -2.327 -6.836 -5.368 1.00 0.00 H new ATOM 0 HA TYR A 7 -3.194 -8.407 -7.735 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -4.752 -7.942 -5.151 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -5.474 -8.517 -6.641 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -4.775 -10.735 -7.581 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -3.449 -9.418 -3.751 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -4.218 -13.057 -6.996 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -2.808 -11.719 -3.170 1.00 0.00 H new ATOM 0 HH TYR A 7 -2.775 -13.897 -3.801 1.00 0.00 H new ATOM 115 N ASP A 8 -4.931 -6.557 -8.277 1.00 0.00 N ATOM 116 CA ASP A 8 -5.542 -5.390 -8.896 1.00 0.00 C ATOM 117 C ASP A 8 -6.753 -4.985 -8.050 1.00 0.00 C ATOM 118 O ASP A 8 -7.536 -5.806 -7.594 1.00 0.00 O ATOM 119 CB ASP A 8 -5.962 -5.741 -10.327 1.00 0.00 C ATOM 120 CG ASP A 8 -6.390 -4.507 -11.147 1.00 0.00 C ATOM 121 OD1 ASP A 8 -7.440 -3.933 -10.857 1.00 0.00 O ATOM 122 OD2 ASP A 8 -5.670 -4.139 -12.074 1.00 0.00 O ATOM 0 H ASP A 8 -5.317 -7.450 -8.582 1.00 0.00 H new ATOM 0 HA ASP A 8 -4.841 -4.557 -8.943 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -5.133 -6.237 -10.832 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -6.787 -6.453 -10.294 1.00 0.00 H new ATOM 127 N PHE A 9 -6.817 -3.656 -7.887 1.00 0.00 N ATOM 128 CA PHE A 9 -7.876 -3.019 -7.107 1.00 0.00 C ATOM 129 C PHE A 9 -8.370 -1.751 -7.816 1.00 0.00 C ATOM 130 O PHE A 9 -7.628 -0.973 -8.400 1.00 0.00 O ATOM 131 CB PHE A 9 -7.393 -2.732 -5.677 1.00 0.00 C ATOM 132 CG PHE A 9 -8.515 -2.584 -4.679 1.00 0.00 C ATOM 133 CD1 PHE A 9 -9.488 -3.573 -4.578 1.00 0.00 C ATOM 134 CD2 PHE A 9 -8.600 -1.482 -3.831 1.00 0.00 C ATOM 135 CE1 PHE A 9 -10.529 -3.464 -3.674 1.00 0.00 C ATOM 136 CE2 PHE A 9 -9.633 -1.377 -2.906 1.00 0.00 C ATOM 137 CZ PHE A 9 -10.597 -2.373 -2.825 1.00 0.00 C ATOM 0 H PHE A 9 -6.143 -3.004 -8.288 1.00 0.00 H new ATOM 0 HA PHE A 9 -8.723 -3.701 -7.030 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -6.736 -3.540 -5.355 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -6.798 -1.819 -5.680 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -9.429 -4.442 -5.217 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -7.856 -0.701 -3.893 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -11.289 -4.230 -3.631 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -9.685 -0.520 -2.250 1.00 0.00 H new ATOM 0 HZ PHE A 9 -11.396 -2.297 -2.103 1.00 0.00 H new ATOM 147 N LYS A 10 -9.700 -1.625 -7.686 1.00 0.00 N ATOM 148 CA LYS A 10 -10.447 -0.531 -8.312 1.00 0.00 C ATOM 149 C LYS A 10 -11.435 0.159 -7.342 1.00 0.00 C ATOM 150 O LYS A 10 -12.606 0.277 -7.666 1.00 0.00 O ATOM 151 CB LYS A 10 -11.173 -1.106 -9.545 1.00 0.00 C ATOM 152 CG LYS A 10 -11.874 -2.470 -9.338 1.00 0.00 C ATOM 153 CD LYS A 10 -13.221 -2.473 -8.587 1.00 0.00 C ATOM 154 CE LYS A 10 -14.411 -1.915 -9.383 1.00 0.00 C ATOM 155 NZ LYS A 10 -14.451 -0.460 -9.469 1.00 0.00 N ATOM 0 H LYS A 10 -10.279 -2.272 -7.150 1.00 0.00 H new ATOM 0 HA LYS A 10 -9.749 0.252 -8.608 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -11.918 -0.382 -9.875 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -10.450 -1.210 -10.354 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -12.035 -2.917 -10.319 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -11.187 -3.122 -8.799 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -13.451 -3.496 -8.288 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -13.111 -1.891 -7.672 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -14.381 -2.325 -10.392 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -15.335 -2.265 -8.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -15.440 -0.141 -9.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -13.985 -0.050 -8.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -13.956 -0.149 -10.329 1.00 0.00 H new ATOM 169 N ALA A 11 -10.881 0.619 -6.192 1.00 0.00 N ATOM 170 CA ALA A 11 -11.534 1.286 -5.021 1.00 0.00 C ATOM 171 C ALA A 11 -13.079 1.319 -4.975 1.00 0.00 C ATOM 172 O ALA A 11 -13.776 1.576 -5.950 1.00 0.00 O ATOM 173 CB ALA A 11 -11.113 2.739 -4.843 1.00 0.00 C ATOM 0 H ALA A 11 -9.877 0.528 -6.040 1.00 0.00 H new ATOM 0 HA ALA A 11 -11.177 0.626 -4.230 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -11.623 3.162 -3.977 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -10.035 2.789 -4.690 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -11.380 3.307 -5.734 1.00 0.00 H new ATOM 179 N THR A 12 -13.562 1.126 -3.724 1.00 0.00 N ATOM 180 CA THR A 12 -15.016 1.135 -3.508 1.00 0.00 C ATOM 181 C THR A 12 -15.533 2.515 -3.072 1.00 0.00 C ATOM 182 O THR A 12 -16.737 2.732 -3.012 1.00 0.00 O ATOM 183 CB THR A 12 -15.506 0.059 -2.495 1.00 0.00 C ATOM 184 OG1 THR A 12 -16.826 0.235 -1.875 1.00 0.00 O ATOM 185 CG2 THR A 12 -14.390 -0.205 -1.475 1.00 0.00 C ATOM 0 H THR A 12 -12.994 0.970 -2.891 1.00 0.00 H new ATOM 0 HA THR A 12 -15.435 0.886 -4.483 1.00 0.00 H new ATOM 0 HB THR A 12 -15.704 -0.826 -3.099 1.00 0.00 H new ATOM 0 HG1 THR A 12 -17.140 1.150 -2.029 1.00 0.00 H new ATOM 0 HG21 THR A 12 -14.722 -0.958 -0.760 1.00 0.00 H new ATOM 0 HG22 THR A 12 -13.501 -0.564 -1.993 1.00 0.00 H new ATOM 0 HG23 THR A 12 -14.154 0.719 -0.947 1.00 0.00 H new ATOM 193 N ALA A 13 -14.587 3.428 -2.751 1.00 0.00 N ATOM 194 CA ALA A 13 -15.002 4.757 -2.312 1.00 0.00 C ATOM 195 C ALA A 13 -13.924 5.804 -2.624 1.00 0.00 C ATOM 196 O ALA A 13 -12.820 5.514 -3.060 1.00 0.00 O ATOM 197 CB ALA A 13 -15.380 4.700 -0.825 1.00 0.00 C ATOM 0 H ALA A 13 -13.580 3.270 -2.788 1.00 0.00 H new ATOM 0 HA ALA A 13 -15.886 5.074 -2.866 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -15.691 5.690 -0.490 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -16.200 3.995 -0.685 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -14.518 4.374 -0.243 1.00 0.00 H new ATOM 203 N ASP A 14 -14.380 7.041 -2.353 1.00 0.00 N ATOM 204 CA ASP A 14 -13.651 8.288 -2.548 1.00 0.00 C ATOM 205 C ASP A 14 -12.376 8.395 -1.676 1.00 0.00 C ATOM 206 O ASP A 14 -11.396 9.028 -2.055 1.00 0.00 O ATOM 207 CB ASP A 14 -14.689 9.370 -2.217 1.00 0.00 C ATOM 208 CG ASP A 14 -14.228 10.797 -2.566 1.00 0.00 C ATOM 209 OD1 ASP A 14 -13.857 11.031 -3.716 1.00 0.00 O ATOM 210 OD2 ASP A 14 -14.261 11.662 -1.689 1.00 0.00 O ATOM 0 H ASP A 14 -15.314 7.195 -1.974 1.00 0.00 H new ATOM 0 HA ASP A 14 -13.259 8.379 -3.561 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -15.611 9.153 -2.756 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -14.923 9.323 -1.153 1.00 0.00 H new ATOM 215 N ASP A 15 -12.453 7.735 -0.499 1.00 0.00 N ATOM 216 CA ASP A 15 -11.336 7.732 0.445 1.00 0.00 C ATOM 217 C ASP A 15 -10.197 6.800 -0.025 1.00 0.00 C ATOM 218 O ASP A 15 -9.030 7.002 0.291 1.00 0.00 O ATOM 219 CB ASP A 15 -11.857 7.333 1.842 1.00 0.00 C ATOM 220 CG ASP A 15 -12.308 5.858 1.966 1.00 0.00 C ATOM 221 OD1 ASP A 15 -13.020 5.376 1.088 1.00 0.00 O ATOM 222 OD2 ASP A 15 -11.934 5.208 2.943 1.00 0.00 O ATOM 0 H ASP A 15 -13.270 7.207 -0.191 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.911 8.735 0.497 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -11.073 7.522 2.575 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -12.697 7.979 2.100 1.00 0.00 H new ATOM 227 N GLU A 16 -10.623 5.796 -0.819 1.00 0.00 N ATOM 228 CA GLU A 16 -9.742 4.777 -1.360 1.00 0.00 C ATOM 229 C GLU A 16 -9.380 5.099 -2.814 1.00 0.00 C ATOM 230 O GLU A 16 -10.071 5.811 -3.534 1.00 0.00 O ATOM 231 CB GLU A 16 -10.523 3.448 -1.358 1.00 0.00 C ATOM 232 CG GLU A 16 -10.548 2.778 0.018 1.00 0.00 C ATOM 233 CD GLU A 16 -11.487 1.553 0.053 1.00 0.00 C ATOM 234 OE1 GLU A 16 -11.466 0.760 -0.890 1.00 0.00 O ATOM 235 OE2 GLU A 16 -12.223 1.400 1.027 1.00 0.00 O ATOM 0 H GLU A 16 -11.598 5.682 -1.096 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.831 4.725 -0.763 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -11.546 3.632 -1.686 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -10.074 2.767 -2.081 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -9.538 2.468 0.288 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -10.870 3.502 0.767 1.00 0.00 H new ATOM 242 N LEU A 17 -8.234 4.500 -3.179 1.00 0.00 N ATOM 243 CA LEU A 17 -7.739 4.621 -4.551 1.00 0.00 C ATOM 244 C LEU A 17 -7.246 3.272 -5.054 1.00 0.00 C ATOM 245 O LEU A 17 -6.939 2.334 -4.325 1.00 0.00 O ATOM 246 CB LEU A 17 -6.801 5.809 -4.792 1.00 0.00 C ATOM 247 CG LEU A 17 -5.467 5.778 -4.043 1.00 0.00 C ATOM 248 CD1 LEU A 17 -4.316 5.208 -4.875 1.00 0.00 C ATOM 249 CD2 LEU A 17 -5.084 7.194 -3.675 1.00 0.00 C ATOM 0 H LEU A 17 -7.649 3.942 -2.557 1.00 0.00 H new ATOM 0 HA LEU A 17 -8.582 4.895 -5.185 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -6.593 5.870 -5.860 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -7.328 6.723 -4.517 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.614 5.136 -3.175 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.401 5.215 -4.283 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.551 4.185 -5.168 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -4.176 5.817 -5.768 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -4.134 7.187 -3.140 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.985 7.791 -4.581 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.856 7.626 -3.038 1.00 0.00 H new ATOM 261 N SER A 18 -7.209 3.303 -6.389 1.00 0.00 N ATOM 262 CA SER A 18 -6.860 2.166 -7.195 1.00 0.00 C ATOM 263 C SER A 18 -5.335 2.053 -7.382 1.00 0.00 C ATOM 264 O SER A 18 -4.561 2.996 -7.277 1.00 0.00 O ATOM 265 CB SER A 18 -7.507 2.473 -8.572 1.00 0.00 C ATOM 266 OG SER A 18 -8.930 2.885 -8.699 1.00 0.00 O ATOM 0 H SER A 18 -7.426 4.138 -6.933 1.00 0.00 H new ATOM 0 HA SER A 18 -7.196 1.234 -6.740 1.00 0.00 H new ATOM 0 HB2 SER A 18 -6.909 3.260 -9.032 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.382 1.580 -9.184 1.00 0.00 H new ATOM 0 HG SER A 18 -9.145 3.033 -9.644 1.00 0.00 H new ATOM 272 N PHE A 19 -5.020 0.796 -7.708 1.00 0.00 N ATOM 273 CA PHE A 19 -3.688 0.294 -7.994 1.00 0.00 C ATOM 274 C PHE A 19 -3.942 -0.977 -8.784 1.00 0.00 C ATOM 275 O PHE A 19 -4.902 -1.696 -8.551 1.00 0.00 O ATOM 276 CB PHE A 19 -2.836 -0.051 -6.758 1.00 0.00 C ATOM 277 CG PHE A 19 -3.540 -0.895 -5.726 1.00 0.00 C ATOM 278 CD1 PHE A 19 -3.475 -2.282 -5.787 1.00 0.00 C ATOM 279 CD2 PHE A 19 -4.238 -0.299 -4.679 1.00 0.00 C ATOM 280 CE1 PHE A 19 -4.078 -3.063 -4.814 1.00 0.00 C ATOM 281 CE2 PHE A 19 -4.853 -1.079 -3.708 1.00 0.00 C ATOM 282 CZ PHE A 19 -4.768 -2.460 -3.774 1.00 0.00 C ATOM 0 H PHE A 19 -5.731 0.068 -7.781 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.115 1.065 -8.510 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -1.939 -0.575 -7.086 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.509 0.877 -6.288 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -2.949 -2.756 -6.602 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -4.302 0.778 -4.621 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -4.010 -4.140 -4.866 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -5.397 -0.609 -2.902 1.00 0.00 H new ATOM 0 HZ PHE A 19 -5.239 -3.067 -3.015 1.00 0.00 H new ATOM 292 N LYS A 20 -3.034 -1.186 -9.738 1.00 0.00 N ATOM 293 CA LYS A 20 -3.098 -2.347 -10.595 1.00 0.00 C ATOM 294 C LYS A 20 -2.002 -3.272 -10.093 1.00 0.00 C ATOM 295 O LYS A 20 -0.966 -2.814 -9.629 1.00 0.00 O ATOM 296 CB LYS A 20 -2.797 -1.910 -12.034 1.00 0.00 C ATOM 297 CG LYS A 20 -3.798 -0.873 -12.576 1.00 0.00 C ATOM 298 CD LYS A 20 -3.267 -0.145 -13.820 1.00 0.00 C ATOM 299 CE LYS A 20 -2.150 0.858 -13.489 1.00 0.00 C ATOM 300 NZ LYS A 20 -1.689 1.586 -14.668 1.00 0.00 N ATOM 0 H LYS A 20 -2.250 -0.561 -9.928 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.073 -2.834 -10.580 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -1.791 -1.491 -12.077 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.805 -2.786 -12.682 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.736 -1.371 -12.822 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.019 -0.143 -11.797 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.891 -0.879 -14.533 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.089 0.380 -14.307 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.512 1.568 -12.745 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -1.310 0.327 -13.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -0.936 2.250 -14.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.319 0.913 -15.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.483 2.115 -15.082 1.00 0.00 H new ATOM 314 N ARG A 21 -2.297 -4.579 -10.183 1.00 0.00 N ATOM 315 CA ARG A 21 -1.308 -5.567 -9.766 1.00 0.00 C ATOM 316 C ARG A 21 0.106 -5.253 -10.320 1.00 0.00 C ATOM 317 O ARG A 21 0.364 -5.271 -11.517 1.00 0.00 O ATOM 318 CB ARG A 21 -1.745 -6.946 -10.239 1.00 0.00 C ATOM 319 CG ARG A 21 -0.656 -7.986 -9.974 1.00 0.00 C ATOM 320 CD ARG A 21 -1.213 -9.385 -10.062 1.00 0.00 C ATOM 321 NE ARG A 21 -0.133 -10.362 -10.023 1.00 0.00 N ATOM 322 CZ ARG A 21 -0.359 -11.667 -10.260 1.00 0.00 C ATOM 323 NH1 ARG A 21 -1.587 -12.110 -10.501 1.00 0.00 N ATOM 324 NH2 ARG A 21 0.656 -12.520 -10.253 1.00 0.00 N ATOM 0 H ARG A 21 -3.179 -4.959 -10.528 1.00 0.00 H new ATOM 0 HA ARG A 21 -1.247 -5.537 -8.678 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.662 -7.236 -9.727 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.971 -6.914 -11.305 1.00 0.00 H new ATOM 0 HG2 ARG A 21 0.151 -7.866 -10.697 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -0.225 -7.823 -8.986 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -1.903 -9.562 -9.237 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -1.783 -9.500 -10.984 1.00 0.00 H new ATOM 0 HE ARG A 21 0.815 -10.050 -9.811 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -2.372 -11.459 -10.508 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -1.746 -13.102 -10.679 1.00 0.00 H new ATOM 0 HH21 ARG A 21 1.602 -12.186 -10.069 1.00 0.00 H new ATOM 0 HH22 ARG A 21 0.491 -13.511 -10.432 1.00 0.00 H new ATOM 338 N GLY A 22 0.967 -4.980 -9.325 1.00 0.00 N ATOM 339 CA GLY A 22 2.362 -4.652 -9.548 1.00 0.00 C ATOM 340 C GLY A 22 2.708 -3.188 -9.260 1.00 0.00 C ATOM 341 O GLY A 22 3.862 -2.813 -9.431 1.00 0.00 O ATOM 0 H GLY A 22 0.700 -4.984 -8.341 1.00 0.00 H new ATOM 0 HA2 GLY A 22 2.981 -5.292 -8.919 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.618 -4.879 -10.583 1.00 0.00 H new ATOM 345 N ASP A 23 1.709 -2.362 -8.824 1.00 0.00 N ATOM 346 CA ASP A 23 2.077 -0.984 -8.564 1.00 0.00 C ATOM 347 C ASP A 23 2.779 -0.907 -7.206 1.00 0.00 C ATOM 348 O ASP A 23 2.460 -1.631 -6.273 1.00 0.00 O ATOM 349 CB ASP A 23 0.878 -0.021 -8.610 1.00 0.00 C ATOM 350 CG ASP A 23 0.208 0.108 -9.992 1.00 0.00 C ATOM 351 OD1 ASP A 23 0.656 -0.510 -10.958 1.00 0.00 O ATOM 352 OD2 ASP A 23 -0.765 0.855 -10.088 1.00 0.00 O ATOM 0 H ASP A 23 0.735 -2.617 -8.664 1.00 0.00 H new ATOM 0 HA ASP A 23 2.750 -0.663 -9.359 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.132 -0.357 -7.890 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.210 0.966 -8.289 1.00 0.00 H new ATOM 357 N ILE A 24 3.747 0.023 -7.164 1.00 0.00 N ATOM 358 CA ILE A 24 4.533 0.242 -5.956 1.00 0.00 C ATOM 359 C ILE A 24 3.964 1.496 -5.273 1.00 0.00 C ATOM 360 O ILE A 24 3.817 2.546 -5.887 1.00 0.00 O ATOM 361 CB ILE A 24 6.022 0.408 -6.333 1.00 0.00 C ATOM 362 CG1 ILE A 24 6.533 -0.817 -7.123 1.00 0.00 C ATOM 363 CG2 ILE A 24 6.896 0.657 -5.090 1.00 0.00 C ATOM 364 CD1 ILE A 24 7.958 -0.660 -7.665 1.00 0.00 C ATOM 0 H ILE A 24 3.997 0.626 -7.948 1.00 0.00 H new ATOM 0 HA ILE A 24 4.474 -0.603 -5.269 1.00 0.00 H new ATOM 0 HB ILE A 24 6.100 1.286 -6.974 1.00 0.00 H new ATOM 0 HG12 ILE A 24 6.496 -1.694 -6.477 1.00 0.00 H new ATOM 0 HG13 ILE A 24 5.857 -1.006 -7.957 1.00 0.00 H new ATOM 0 HG21 ILE A 24 7.937 0.769 -5.394 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.565 1.566 -4.588 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.806 -0.188 -4.407 1.00 0.00 H new ATOM 0 HD11 ILE A 24 8.243 -1.562 -8.207 1.00 0.00 H new ATOM 0 HD12 ILE A 24 7.999 0.196 -8.338 1.00 0.00 H new ATOM 0 HD13 ILE A 24 8.647 -0.502 -6.836 1.00 0.00 H new ATOM 376 N LEU A 25 3.651 1.309 -3.970 1.00 0.00 N ATOM 377 CA LEU A 25 3.078 2.396 -3.184 1.00 0.00 C ATOM 378 C LEU A 25 4.122 2.978 -2.239 1.00 0.00 C ATOM 379 O LEU A 25 5.265 2.541 -2.142 1.00 0.00 O ATOM 380 CB LEU A 25 1.892 1.930 -2.322 1.00 0.00 C ATOM 381 CG LEU A 25 0.851 1.063 -3.001 1.00 0.00 C ATOM 382 CD1 LEU A 25 0.273 1.736 -4.223 1.00 0.00 C ATOM 383 CD2 LEU A 25 1.223 -0.402 -3.286 1.00 0.00 C ATOM 0 H LEU A 25 3.786 0.435 -3.462 1.00 0.00 H new ATOM 0 HA LEU A 25 2.735 3.141 -3.902 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.288 1.379 -1.469 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.392 2.814 -1.926 1.00 0.00 H new ATOM 0 HG LEU A 25 0.083 0.971 -2.233 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.469 1.083 -4.681 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.200 2.674 -3.932 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.070 1.938 -4.939 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.386 -0.902 -3.773 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.095 -0.436 -3.939 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.452 -0.908 -2.348 1.00 0.00 H new ATOM 395 N LYS A 26 3.581 3.980 -1.526 1.00 0.00 N ATOM 396 CA LYS A 26 4.386 4.707 -0.538 1.00 0.00 C ATOM 397 C LYS A 26 3.580 4.851 0.739 1.00 0.00 C ATOM 398 O LYS A 26 2.665 5.650 0.760 1.00 0.00 O ATOM 399 CB LYS A 26 4.783 6.068 -1.130 1.00 0.00 C ATOM 400 CG LYS A 26 5.910 6.822 -0.407 1.00 0.00 C ATOM 401 CD LYS A 26 5.535 7.486 0.933 1.00 0.00 C ATOM 402 CE LYS A 26 4.319 8.425 0.877 1.00 0.00 C ATOM 403 NZ LYS A 26 4.443 9.500 -0.108 1.00 0.00 N ATOM 0 H LYS A 26 2.615 4.297 -1.613 1.00 0.00 H new ATOM 0 HA LYS A 26 5.301 4.166 -0.296 1.00 0.00 H new ATOM 0 HB2 LYS A 26 5.083 5.916 -2.167 1.00 0.00 H new ATOM 0 HB3 LYS A 26 3.899 6.706 -1.145 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.728 6.124 -0.227 1.00 0.00 H new ATOM 0 HG3 LYS A 26 6.291 7.593 -1.077 1.00 0.00 H new ATOM 0 HD2 LYS A 26 5.337 6.704 1.666 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.394 8.051 1.294 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.429 7.838 0.649 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.167 8.865 1.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.587 10.090 -0.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.272 10.085 0.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.558 9.090 -1.057 1.00 0.00 H new ATOM 417 N VAL A 27 3.960 4.158 1.839 1.00 0.00 N ATOM 418 CA VAL A 27 3.103 4.287 2.986 1.00 0.00 C ATOM 419 C VAL A 27 3.503 5.502 3.835 1.00 0.00 C ATOM 420 O VAL A 27 4.593 5.630 4.379 1.00 0.00 O ATOM 421 CB VAL A 27 3.208 2.950 3.707 1.00 0.00 C ATOM 422 CG1 VAL A 27 2.580 1.819 2.880 1.00 0.00 C ATOM 423 CG2 VAL A 27 4.607 2.572 4.212 1.00 0.00 C ATOM 0 H VAL A 27 4.782 3.562 1.935 1.00 0.00 H new ATOM 0 HA VAL A 27 2.062 4.485 2.729 1.00 0.00 H new ATOM 0 HB VAL A 27 2.629 3.090 4.620 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.671 0.878 3.422 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.526 2.037 2.706 1.00 0.00 H new ATOM 0 HG13 VAL A 27 3.096 1.738 1.923 1.00 0.00 H new ATOM 0 HG21 VAL A 27 4.565 1.603 4.709 1.00 0.00 H new ATOM 0 HG22 VAL A 27 5.296 2.518 3.369 1.00 0.00 H new ATOM 0 HG23 VAL A 27 4.955 3.326 4.917 1.00 0.00 H new ATOM 433 N LEU A 28 2.501 6.391 3.883 1.00 0.00 N ATOM 434 CA LEU A 28 2.619 7.668 4.573 1.00 0.00 C ATOM 435 C LEU A 28 2.159 7.536 6.031 1.00 0.00 C ATOM 436 O LEU A 28 2.905 7.827 6.956 1.00 0.00 O ATOM 437 CB LEU A 28 1.764 8.688 3.795 1.00 0.00 C ATOM 438 CG LEU A 28 1.856 10.133 4.320 1.00 0.00 C ATOM 439 CD1 LEU A 28 3.261 10.723 4.145 1.00 0.00 C ATOM 440 CD2 LEU A 28 0.817 11.020 3.621 1.00 0.00 C ATOM 0 H LEU A 28 1.593 6.239 3.444 1.00 0.00 H new ATOM 0 HA LEU A 28 3.656 8.002 4.604 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.069 8.675 2.749 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.722 8.369 3.827 1.00 0.00 H new ATOM 0 HG LEU A 28 1.646 10.104 5.389 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.278 11.743 4.529 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.981 10.116 4.694 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.524 10.729 3.087 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.893 12.039 4.002 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.002 11.019 2.547 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.183 10.633 3.817 1.00 0.00 H new ATOM 452 N ASN A 29 0.896 7.074 6.159 1.00 0.00 N ATOM 453 CA ASN A 29 0.291 6.893 7.476 1.00 0.00 C ATOM 454 C ASN A 29 -0.239 5.457 7.612 1.00 0.00 C ATOM 455 O ASN A 29 -0.848 4.889 6.714 1.00 0.00 O ATOM 456 CB ASN A 29 -0.852 7.903 7.683 1.00 0.00 C ATOM 457 CG ASN A 29 -0.360 9.356 7.603 1.00 0.00 C ATOM 458 OD1 ASN A 29 0.796 9.669 7.851 1.00 0.00 O ATOM 459 ND2 ASN A 29 -1.315 10.226 7.247 1.00 0.00 N ATOM 0 H ASN A 29 0.293 6.826 5.375 1.00 0.00 H new ATOM 0 HA ASN A 29 1.049 7.067 8.240 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -1.621 7.739 6.928 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -1.316 7.731 8.654 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -1.097 11.219 7.169 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -2.260 9.895 7.054 1.00 0.00 H new ATOM 536 N ASN A 35 -5.961 -2.994 8.666 1.00 0.00 N ATOM 537 CA ASN A 35 -6.569 -3.540 7.467 1.00 0.00 C ATOM 538 C ASN A 35 -6.448 -2.517 6.316 1.00 0.00 C ATOM 539 O ASN A 35 -6.527 -2.915 5.165 1.00 0.00 O ATOM 540 CB ASN A 35 -8.055 -3.860 7.698 1.00 0.00 C ATOM 541 CG ASN A 35 -8.300 -5.287 8.205 1.00 0.00 C ATOM 542 OD1 ASN A 35 -7.555 -6.213 7.916 1.00 0.00 O ATOM 543 ND2 ASN A 35 -9.412 -5.408 8.944 1.00 0.00 N ATOM 0 HA ASN A 35 -6.048 -4.462 7.210 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -8.464 -3.151 8.418 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -8.599 -3.716 6.765 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -9.686 -6.321 9.307 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -9.984 -4.587 9.143 1.00 0.00 H new ATOM 550 N TRP A 36 -6.241 -1.213 6.649 1.00 0.00 N ATOM 551 CA TRP A 36 -6.141 -0.193 5.601 1.00 0.00 C ATOM 552 C TRP A 36 -4.995 0.785 5.894 1.00 0.00 C ATOM 553 O TRP A 36 -4.892 1.392 6.951 1.00 0.00 O ATOM 554 CB TRP A 36 -7.448 0.605 5.503 1.00 0.00 C ATOM 555 CG TRP A 36 -8.590 -0.323 5.151 1.00 0.00 C ATOM 556 CD1 TRP A 36 -9.316 -1.132 6.032 1.00 0.00 C ATOM 557 CD2 TRP A 36 -9.104 -0.595 3.830 1.00 0.00 C ATOM 558 NE1 TRP A 36 -10.209 -1.868 5.331 1.00 0.00 N ATOM 559 CE2 TRP A 36 -10.109 -1.575 3.979 1.00 0.00 C ATOM 560 CE3 TRP A 36 -8.796 -0.111 2.589 1.00 0.00 C ATOM 561 CZ2 TRP A 36 -10.775 -2.035 2.880 1.00 0.00 C ATOM 562 CZ3 TRP A 36 -9.475 -0.581 1.467 1.00 0.00 C ATOM 563 CH2 TRP A 36 -10.470 -1.545 1.612 1.00 0.00 C ATOM 0 H TRP A 36 -6.145 -0.865 7.603 1.00 0.00 H new ATOM 0 HA TRP A 36 -5.947 -0.708 4.660 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -7.652 1.104 6.450 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -7.354 1.384 4.746 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -9.184 -1.164 7.103 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -10.860 -2.540 5.737 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -8.025 0.637 2.478 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -11.544 -2.784 2.994 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -9.230 -0.199 0.487 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -11.002 -1.911 0.746 1.00 0.00 H new ATOM 574 N TYR A 37 -4.159 0.877 4.847 1.00 0.00 N ATOM 575 CA TYR A 37 -2.977 1.736 4.802 1.00 0.00 C ATOM 576 C TYR A 37 -3.271 2.936 3.911 1.00 0.00 C ATOM 577 O TYR A 37 -3.939 2.812 2.899 1.00 0.00 O ATOM 578 CB TYR A 37 -1.820 1.019 4.086 1.00 0.00 C ATOM 579 CG TYR A 37 -1.211 -0.129 4.833 1.00 0.00 C ATOM 580 CD1 TYR A 37 -1.095 -0.115 6.216 1.00 0.00 C ATOM 581 CD2 TYR A 37 -0.717 -1.215 4.122 1.00 0.00 C ATOM 582 CE1 TYR A 37 -0.481 -1.160 6.883 1.00 0.00 C ATOM 583 CE2 TYR A 37 -0.092 -2.268 4.773 1.00 0.00 C ATOM 584 CZ TYR A 37 0.045 -2.240 6.166 1.00 0.00 C ATOM 585 OH TYR A 37 0.689 -3.272 6.834 1.00 0.00 O ATOM 0 H TYR A 37 -4.295 0.341 3.990 1.00 0.00 H new ATOM 0 HA TYR A 37 -2.726 2.004 5.828 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -2.182 0.653 3.125 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -1.038 1.749 3.876 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -1.488 0.720 6.777 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -0.821 -1.240 3.047 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -0.408 -1.142 7.960 1.00 0.00 H new ATOM 0 HE2 TYR A 37 0.288 -3.106 4.208 1.00 0.00 H new ATOM 0 HH TYR A 37 0.993 -3.942 6.186 1.00 0.00 H new ATOM 595 N LYS A 38 -2.699 4.074 4.331 1.00 0.00 N ATOM 596 CA LYS A 38 -2.818 5.315 3.585 1.00 0.00 C ATOM 597 C LYS A 38 -1.459 5.494 2.888 1.00 0.00 C ATOM 598 O LYS A 38 -0.456 5.763 3.540 1.00 0.00 O ATOM 599 CB LYS A 38 -3.132 6.426 4.588 1.00 0.00 C ATOM 600 CG LYS A 38 -3.352 7.780 3.932 1.00 0.00 C ATOM 601 CD LYS A 38 -4.004 8.773 4.896 1.00 0.00 C ATOM 602 CE LYS A 38 -4.193 10.131 4.233 1.00 0.00 C ATOM 603 NZ LYS A 38 -4.848 11.115 5.085 1.00 0.00 N ATOM 0 H LYS A 38 -2.150 4.151 5.187 1.00 0.00 H new ATOM 0 HA LYS A 38 -3.611 5.327 2.838 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -4.023 6.155 5.154 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.312 6.504 5.302 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.397 8.178 3.589 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -3.982 7.660 3.051 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.969 8.387 5.224 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.385 8.882 5.786 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -3.219 10.516 3.931 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -4.781 10.003 3.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -4.943 12.013 4.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -5.791 10.769 5.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -4.278 11.267 5.942 1.00 0.00 H new ATOM 617 N ALA A 39 -1.479 5.326 1.542 1.00 0.00 N ATOM 618 CA ALA A 39 -0.230 5.395 0.781 1.00 0.00 C ATOM 619 C ALA A 39 -0.376 6.276 -0.464 1.00 0.00 C ATOM 620 O ALA A 39 -1.484 6.643 -0.836 1.00 0.00 O ATOM 621 CB ALA A 39 0.155 3.960 0.408 1.00 0.00 C ATOM 0 H ALA A 39 -2.317 5.149 0.988 1.00 0.00 H new ATOM 0 HA ALA A 39 0.553 5.855 1.384 1.00 0.00 H new ATOM 0 HB1 ALA A 39 1.084 3.969 -0.162 1.00 0.00 H new ATOM 0 HB2 ALA A 39 0.292 3.372 1.316 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -0.637 3.516 -0.196 1.00 0.00 H new ATOM 627 N GLU A 40 0.797 6.576 -1.091 1.00 0.00 N ATOM 628 CA GLU A 40 0.784 7.465 -2.255 1.00 0.00 C ATOM 629 C GLU A 40 0.984 6.687 -3.566 1.00 0.00 C ATOM 630 O GLU A 40 1.694 5.692 -3.644 1.00 0.00 O ATOM 631 CB GLU A 40 1.909 8.503 -2.090 1.00 0.00 C ATOM 632 CG GLU A 40 1.856 9.703 -3.056 1.00 0.00 C ATOM 633 CD GLU A 40 0.832 10.761 -2.634 1.00 0.00 C ATOM 634 OE1 GLU A 40 1.078 11.445 -1.640 1.00 0.00 O ATOM 635 OE2 GLU A 40 -0.183 10.901 -3.311 1.00 0.00 O ATOM 0 H GLU A 40 1.715 6.227 -0.816 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.188 7.955 -2.310 1.00 0.00 H new ATOM 0 HB2 GLU A 40 1.883 8.881 -1.068 1.00 0.00 H new ATOM 0 HB3 GLU A 40 2.866 7.998 -2.219 1.00 0.00 H new ATOM 0 HG2 GLU A 40 2.843 10.162 -3.112 1.00 0.00 H new ATOM 0 HG3 GLU A 40 1.612 9.347 -4.057 1.00 0.00 H new ATOM 642 N LEU A 41 0.303 7.291 -4.562 1.00 0.00 N ATOM 643 CA LEU A 41 0.255 6.901 -5.970 1.00 0.00 C ATOM 644 C LEU A 41 -0.215 8.014 -6.886 1.00 0.00 C ATOM 645 O LEU A 41 -1.342 8.459 -6.751 1.00 0.00 O ATOM 646 CB LEU A 41 -0.814 5.817 -6.197 1.00 0.00 C ATOM 647 CG LEU A 41 -0.377 4.375 -6.079 1.00 0.00 C ATOM 648 CD1 LEU A 41 -1.605 3.541 -5.737 1.00 0.00 C ATOM 649 CD2 LEU A 41 0.156 3.946 -7.449 1.00 0.00 C ATOM 0 H LEU A 41 -0.264 8.120 -4.382 1.00 0.00 H new ATOM 0 HA LEU A 41 1.276 6.589 -6.192 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.620 5.984 -5.483 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.234 5.961 -7.192 1.00 0.00 H new ATOM 0 HG LEU A 41 0.388 4.246 -5.313 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.319 2.493 -5.645 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.028 3.886 -4.793 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.348 3.647 -6.527 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.482 2.907 -7.403 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.633 4.046 -8.194 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.999 4.579 -7.726 1.00 0.00 H new ATOM 661 N ASN A 42 0.651 8.434 -7.846 1.00 0.00 N ATOM 662 CA ASN A 42 0.074 9.384 -8.797 1.00 0.00 C ATOM 663 C ASN A 42 -0.471 10.717 -8.237 1.00 0.00 C ATOM 664 O ASN A 42 -1.405 11.302 -8.767 1.00 0.00 O ATOM 665 CB ASN A 42 -0.837 8.465 -9.660 1.00 0.00 C ATOM 666 CG ASN A 42 -2.344 8.701 -9.733 1.00 0.00 C ATOM 667 OD1 ASN A 42 -2.881 9.611 -10.350 1.00 0.00 O ATOM 668 ND2 ASN A 42 -2.953 7.709 -9.053 1.00 0.00 N ATOM 0 H ASN A 42 1.627 8.166 -7.969 1.00 0.00 H new ATOM 0 HA ASN A 42 0.811 9.895 -9.417 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -0.457 8.506 -10.681 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -0.690 7.445 -9.306 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -3.971 7.666 -9.017 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -2.395 7.002 -8.574 1.00 0.00 H new ATOM 675 N GLY A 43 0.183 11.167 -7.143 1.00 0.00 N ATOM 676 CA GLY A 43 -0.245 12.413 -6.502 1.00 0.00 C ATOM 677 C GLY A 43 -1.677 12.321 -5.951 1.00 0.00 C ATOM 678 O GLY A 43 -2.378 13.311 -5.786 1.00 0.00 O ATOM 0 H GLY A 43 0.978 10.702 -6.705 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.440 12.655 -5.690 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.187 13.229 -7.222 1.00 0.00 H new ATOM 682 N LYS A 44 -2.051 11.048 -5.708 1.00 0.00 N ATOM 683 CA LYS A 44 -3.336 10.654 -5.197 1.00 0.00 C ATOM 684 C LYS A 44 -3.038 9.651 -4.072 1.00 0.00 C ATOM 685 O LYS A 44 -2.589 8.536 -4.306 1.00 0.00 O ATOM 686 CB LYS A 44 -4.129 10.046 -6.369 1.00 0.00 C ATOM 687 CG LYS A 44 -4.652 11.127 -7.322 1.00 0.00 C ATOM 688 CD LYS A 44 -5.530 10.548 -8.436 1.00 0.00 C ATOM 689 CE LYS A 44 -5.940 11.616 -9.452 1.00 0.00 C ATOM 690 NZ LYS A 44 -6.740 11.058 -10.537 1.00 0.00 N ATOM 0 H LYS A 44 -1.430 10.256 -5.875 1.00 0.00 H new ATOM 0 HA LYS A 44 -3.938 11.468 -4.793 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.492 9.354 -6.919 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.967 9.468 -5.980 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.225 11.861 -6.755 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.808 11.656 -7.766 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.990 9.750 -8.946 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.423 10.101 -7.999 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.508 12.398 -8.947 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.047 12.086 -9.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.997 11.814 -11.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -6.189 10.330 -11.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -7.605 10.632 -10.147 1.00 0.00 H new ATOM 704 N ASP A 45 -3.273 10.162 -2.847 1.00 0.00 N ATOM 705 CA ASP A 45 -3.069 9.422 -1.610 1.00 0.00 C ATOM 706 C ASP A 45 -4.456 8.891 -1.140 1.00 0.00 C ATOM 707 O ASP A 45 -5.452 9.606 -1.178 1.00 0.00 O ATOM 708 CB ASP A 45 -2.434 10.390 -0.601 1.00 0.00 C ATOM 709 CG ASP A 45 -2.055 9.684 0.707 1.00 0.00 C ATOM 710 OD1 ASP A 45 -2.915 9.592 1.575 1.00 0.00 O ATOM 711 OD2 ASP A 45 -0.915 9.247 0.848 1.00 0.00 O ATOM 0 H ASP A 45 -3.614 11.112 -2.700 1.00 0.00 H new ATOM 0 HA ASP A 45 -2.406 8.565 -1.727 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -1.545 10.841 -1.041 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -3.131 11.201 -0.388 1.00 0.00 H new ATOM 716 N GLY A 46 -4.467 7.613 -0.712 1.00 0.00 N ATOM 717 CA GLY A 46 -5.727 6.986 -0.298 1.00 0.00 C ATOM 718 C GLY A 46 -5.517 5.648 0.395 1.00 0.00 C ATOM 719 O GLY A 46 -4.410 5.131 0.489 1.00 0.00 O ATOM 0 H GLY A 46 -3.643 7.015 -0.646 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -6.259 7.659 0.374 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -6.361 6.842 -1.173 1.00 0.00 H new ATOM 723 N PHE A 47 -6.671 5.118 0.850 1.00 0.00 N ATOM 724 CA PHE A 47 -6.680 3.841 1.551 1.00 0.00 C ATOM 725 C PHE A 47 -6.615 2.658 0.566 1.00 0.00 C ATOM 726 O PHE A 47 -7.205 2.658 -0.507 1.00 0.00 O ATOM 727 CB PHE A 47 -7.904 3.772 2.468 1.00 0.00 C ATOM 728 CG PHE A 47 -7.778 4.798 3.561 1.00 0.00 C ATOM 729 CD1 PHE A 47 -7.027 4.530 4.703 1.00 0.00 C ATOM 730 CD2 PHE A 47 -8.383 6.042 3.429 1.00 0.00 C ATOM 731 CE1 PHE A 47 -6.875 5.497 5.689 1.00 0.00 C ATOM 732 CE2 PHE A 47 -8.223 7.015 4.403 1.00 0.00 C ATOM 733 CZ PHE A 47 -7.471 6.742 5.538 1.00 0.00 C ATOM 0 H PHE A 47 -7.587 5.554 0.742 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.787 3.765 2.171 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -8.812 3.950 1.892 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -7.991 2.775 2.900 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -6.560 3.564 4.823 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -8.985 6.253 2.557 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -6.293 5.280 6.573 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -8.683 7.984 4.279 1.00 0.00 H new ATOM 0 HZ PHE A 47 -7.350 7.496 6.301 1.00 0.00 H new ATOM 743 N ILE A 48 -5.817 1.671 1.018 1.00 0.00 N ATOM 744 CA ILE A 48 -5.578 0.432 0.289 1.00 0.00 C ATOM 745 C ILE A 48 -5.579 -0.703 1.336 1.00 0.00 C ATOM 746 O ILE A 48 -5.072 -0.513 2.433 1.00 0.00 O ATOM 747 CB ILE A 48 -4.248 0.512 -0.494 1.00 0.00 C ATOM 748 CG1 ILE A 48 -3.013 0.658 0.420 1.00 0.00 C ATOM 749 CG2 ILE A 48 -4.299 1.639 -1.541 1.00 0.00 C ATOM 750 CD1 ILE A 48 -1.686 0.680 -0.340 1.00 0.00 C ATOM 0 H ILE A 48 -5.321 1.722 1.908 1.00 0.00 H new ATOM 0 HA ILE A 48 -6.351 0.247 -0.457 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.133 -0.442 -1.009 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -3.106 1.578 0.998 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.000 -0.166 1.133 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.353 1.677 -2.081 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -5.110 1.446 -2.244 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -4.471 2.592 -1.041 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.863 0.785 0.367 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.570 -0.250 -0.896 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.678 1.521 -1.033 1.00 0.00 H new ATOM 762 N PRO A 49 -6.165 -1.884 0.998 1.00 0.00 N ATOM 763 CA PRO A 49 -6.215 -3.008 1.932 1.00 0.00 C ATOM 764 C PRO A 49 -4.852 -3.687 2.138 1.00 0.00 C ATOM 765 O PRO A 49 -4.069 -3.782 1.201 1.00 0.00 O ATOM 766 CB PRO A 49 -7.196 -4.006 1.313 1.00 0.00 C ATOM 767 CG PRO A 49 -7.507 -3.514 -0.101 1.00 0.00 C ATOM 768 CD PRO A 49 -6.820 -2.161 -0.278 1.00 0.00 C ATOM 0 HA PRO A 49 -6.519 -2.655 2.918 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.763 -5.006 1.286 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -8.107 -4.070 1.908 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -7.147 -4.227 -0.843 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -8.583 -3.419 -0.246 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -6.096 -2.193 -1.092 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -7.543 -1.383 -0.525 1.00 0.00 H new ATOM 776 N LYS A 50 -4.621 -4.192 3.381 1.00 0.00 N ATOM 777 CA LYS A 50 -3.327 -4.851 3.582 1.00 0.00 C ATOM 778 C LYS A 50 -3.255 -6.204 2.845 1.00 0.00 C ATOM 779 O LYS A 50 -2.189 -6.576 2.377 1.00 0.00 O ATOM 780 CB LYS A 50 -3.089 -5.159 5.067 1.00 0.00 C ATOM 781 CG LYS A 50 -3.127 -3.932 5.975 1.00 0.00 C ATOM 782 CD LYS A 50 -2.474 -4.196 7.337 1.00 0.00 C ATOM 783 CE LYS A 50 -3.147 -5.305 8.145 1.00 0.00 C ATOM 784 NZ LYS A 50 -2.457 -5.529 9.411 1.00 0.00 N ATOM 0 H LYS A 50 -5.253 -4.158 4.181 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.578 -4.160 3.195 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -3.843 -5.870 5.404 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -2.120 -5.647 5.175 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.616 -3.103 5.484 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -4.162 -3.625 6.124 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.427 -4.458 7.182 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.489 -3.275 7.920 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -4.187 -5.039 8.337 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -3.156 -6.227 7.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -2.936 -6.287 9.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -1.472 -5.806 9.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.471 -4.654 9.973 1.00 0.00 H new ATOM 798 N ASN A 51 -4.404 -6.915 2.739 1.00 0.00 N ATOM 799 CA ASN A 51 -4.360 -8.216 2.044 1.00 0.00 C ATOM 800 C ASN A 51 -4.156 -8.109 0.515 1.00 0.00 C ATOM 801 O ASN A 51 -3.858 -9.112 -0.125 1.00 0.00 O ATOM 802 CB ASN A 51 -5.458 -9.197 2.474 1.00 0.00 C ATOM 803 CG ASN A 51 -6.849 -8.590 2.539 1.00 0.00 C ATOM 804 OD1 ASN A 51 -7.285 -8.154 3.593 1.00 0.00 O ATOM 805 ND2 ASN A 51 -7.524 -8.595 1.385 1.00 0.00 N ATOM 0 H ASN A 51 -5.315 -6.632 3.101 1.00 0.00 H new ATOM 0 HA ASN A 51 -3.441 -8.682 2.400 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -5.473 -10.036 1.778 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -5.204 -9.601 3.454 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -8.470 -8.217 1.346 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -7.093 -8.977 0.543 1.00 0.00 H new ATOM 812 N TYR A 52 -4.259 -6.875 -0.032 1.00 0.00 N ATOM 813 CA TYR A 52 -4.008 -6.724 -1.471 1.00 0.00 C ATOM 814 C TYR A 52 -2.530 -6.347 -1.754 1.00 0.00 C ATOM 815 O TYR A 52 -2.152 -6.288 -2.914 1.00 0.00 O ATOM 816 CB TYR A 52 -4.936 -5.642 -2.061 1.00 0.00 C ATOM 817 CG TYR A 52 -6.242 -6.212 -2.551 1.00 0.00 C ATOM 818 CD1 TYR A 52 -7.099 -6.888 -1.700 1.00 0.00 C ATOM 819 CD2 TYR A 52 -6.597 -6.089 -3.891 1.00 0.00 C ATOM 820 CE1 TYR A 52 -8.268 -7.463 -2.177 1.00 0.00 C ATOM 821 CE2 TYR A 52 -7.747 -6.673 -4.387 1.00 0.00 C ATOM 822 CZ TYR A 52 -8.612 -7.374 -3.534 1.00 0.00 C ATOM 823 OH TYR A 52 -9.764 -8.021 -3.993 1.00 0.00 O ATOM 0 H TYR A 52 -4.500 -6.021 0.471 1.00 0.00 H new ATOM 0 HA TYR A 52 -4.214 -7.684 -1.944 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -5.135 -4.885 -1.303 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -4.428 -5.142 -2.886 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -6.855 -6.969 -0.651 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -5.961 -5.525 -4.557 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -8.922 -7.986 -1.495 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -7.981 -6.589 -5.438 1.00 0.00 H new ATOM 0 HH TYR A 52 -10.028 -8.713 -3.351 1.00 0.00 H new ATOM 833 N ILE A 53 -1.727 -6.120 -0.679 1.00 0.00 N ATOM 834 CA ILE A 53 -0.294 -5.773 -0.818 1.00 0.00 C ATOM 835 C ILE A 53 0.582 -6.678 0.095 1.00 0.00 C ATOM 836 O ILE A 53 0.098 -7.464 0.900 1.00 0.00 O ATOM 837 CB ILE A 53 -0.047 -4.236 -0.634 1.00 0.00 C ATOM 838 CG1 ILE A 53 1.148 -3.833 0.275 1.00 0.00 C ATOM 839 CG2 ILE A 53 -1.313 -3.478 -0.206 1.00 0.00 C ATOM 840 CD1 ILE A 53 1.278 -2.344 0.484 1.00 0.00 C ATOM 0 H ILE A 53 -2.050 -6.172 0.287 1.00 0.00 H new ATOM 0 HA ILE A 53 0.022 -5.983 -1.840 1.00 0.00 H new ATOM 0 HB ILE A 53 0.240 -3.929 -1.640 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.035 -4.318 1.244 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.071 -4.211 -0.165 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.082 -2.419 -0.094 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.086 -3.603 -0.965 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.670 -3.874 0.745 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.133 -2.140 1.128 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.423 -1.853 -0.478 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.371 -1.962 0.953 1.00 0.00 H new ATOM 852 N GLU A 54 1.903 -6.491 -0.135 1.00 0.00 N ATOM 853 CA GLU A 54 3.040 -7.095 0.550 1.00 0.00 C ATOM 854 C GLU A 54 4.013 -5.937 0.884 1.00 0.00 C ATOM 855 O GLU A 54 4.410 -5.175 0.009 1.00 0.00 O ATOM 856 CB GLU A 54 3.715 -8.119 -0.376 1.00 0.00 C ATOM 857 CG GLU A 54 5.035 -8.692 0.180 1.00 0.00 C ATOM 858 CD GLU A 54 5.599 -9.791 -0.738 1.00 0.00 C ATOM 859 OE1 GLU A 54 6.199 -9.459 -1.762 1.00 0.00 O ATOM 860 OE2 GLU A 54 5.434 -10.969 -0.419 1.00 0.00 O ATOM 0 H GLU A 54 2.213 -5.856 -0.871 1.00 0.00 H new ATOM 0 HA GLU A 54 2.736 -7.619 1.456 1.00 0.00 H new ATOM 0 HB2 GLU A 54 3.022 -8.941 -0.559 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.912 -7.648 -1.339 1.00 0.00 H new ATOM 0 HG2 GLU A 54 5.767 -7.891 0.283 1.00 0.00 H new ATOM 0 HG3 GLU A 54 4.866 -9.099 1.177 1.00 0.00 H new ATOM 927 N VAL B 1 -8.026 -14.720 -8.708 1.00 0.00 N ATOM 928 CA VAL B 1 -9.140 -14.417 -7.790 1.00 0.00 C ATOM 929 C VAL B 1 -8.705 -13.779 -6.444 1.00 0.00 C ATOM 930 O VAL B 1 -8.633 -14.446 -5.419 1.00 0.00 O ATOM 931 CB VAL B 1 -10.073 -15.640 -7.632 1.00 0.00 C ATOM 932 CG1 VAL B 1 -9.390 -16.901 -7.080 1.00 0.00 C ATOM 933 CG2 VAL B 1 -11.330 -15.293 -6.817 1.00 0.00 C ATOM 0 H1 VAL B 1 -8.190 -15.642 -9.160 1.00 0.00 H new ATOM 0 H2 VAL B 1 -7.967 -13.982 -9.438 1.00 0.00 H new ATOM 0 H3 VAL B 1 -7.134 -14.750 -8.174 1.00 0.00 H new ATOM 0 HA VAL B 1 -9.724 -13.626 -8.259 1.00 0.00 H new ATOM 0 HB VAL B 1 -10.371 -15.893 -8.649 1.00 0.00 H new ATOM 0 HG11 VAL B 1 -10.120 -17.706 -7.003 1.00 0.00 H new ATOM 0 HG12 VAL B 1 -8.586 -17.203 -7.751 1.00 0.00 H new ATOM 0 HG13 VAL B 1 -8.978 -16.689 -6.093 1.00 0.00 H new ATOM 0 HG21 VAL B 1 -11.961 -16.177 -6.727 1.00 0.00 H new ATOM 0 HG22 VAL B 1 -11.037 -14.954 -5.823 1.00 0.00 H new ATOM 0 HG23 VAL B 1 -11.884 -14.502 -7.322 1.00 0.00 H new ATOM 943 N PRO B 2 -8.404 -12.446 -6.488 1.00 0.00 N ATOM 944 CA PRO B 2 -7.963 -11.715 -5.302 1.00 0.00 C ATOM 945 C PRO B 2 -8.842 -11.897 -4.026 1.00 0.00 C ATOM 946 O PRO B 2 -10.049 -12.097 -4.114 1.00 0.00 O ATOM 947 CB PRO B 2 -8.003 -10.257 -5.755 1.00 0.00 C ATOM 948 CG PRO B 2 -7.866 -10.260 -7.266 1.00 0.00 C ATOM 949 CD PRO B 2 -8.436 -11.608 -7.696 1.00 0.00 C ATOM 0 HA PRO B 2 -6.988 -12.084 -4.984 1.00 0.00 H new ATOM 0 HB2 PRO B 2 -8.938 -9.785 -5.453 1.00 0.00 H new ATOM 0 HB3 PRO B 2 -7.195 -9.688 -5.295 1.00 0.00 H new ATOM 0 HG2 PRO B 2 -8.416 -9.434 -7.716 1.00 0.00 H new ATOM 0 HG3 PRO B 2 -6.825 -10.153 -7.571 1.00 0.00 H new ATOM 0 HD2 PRO B 2 -9.453 -11.502 -8.075 1.00 0.00 H new ATOM 0 HD3 PRO B 2 -7.842 -12.049 -8.496 1.00 0.00 H new ATOM 957 N PRO B 3 -8.173 -11.811 -2.837 1.00 0.00 N ATOM 958 CA PRO B 3 -8.810 -11.941 -1.522 1.00 0.00 C ATOM 959 C PRO B 3 -10.033 -11.031 -1.254 1.00 0.00 C ATOM 960 O PRO B 3 -10.212 -10.002 -1.892 1.00 0.00 O ATOM 961 CB PRO B 3 -7.696 -11.486 -0.555 1.00 0.00 C ATOM 962 CG PRO B 3 -6.376 -11.751 -1.268 1.00 0.00 C ATOM 963 CD PRO B 3 -6.720 -11.665 -2.750 1.00 0.00 C ATOM 0 HA PRO B 3 -9.192 -12.957 -1.421 1.00 0.00 H new ATOM 0 HB2 PRO B 3 -7.801 -10.429 -0.311 1.00 0.00 H new ATOM 0 HB3 PRO B 3 -7.748 -12.036 0.384 1.00 0.00 H new ATOM 0 HG2 PRO B 3 -5.621 -11.015 -0.992 1.00 0.00 H new ATOM 0 HG3 PRO B 3 -5.975 -12.731 -1.010 1.00 0.00 H new ATOM 0 HD2 PRO B 3 -6.398 -10.712 -3.170 1.00 0.00 H new ATOM 0 HD3 PRO B 3 -6.215 -12.449 -3.314 1.00 0.00 H new ATOM 971 N PRO B 4 -10.861 -11.443 -0.250 1.00 0.00 N ATOM 972 CA PRO B 4 -12.011 -10.649 0.188 1.00 0.00 C ATOM 973 C PRO B 4 -11.454 -9.487 1.013 1.00 0.00 C ATOM 974 O PRO B 4 -10.718 -9.650 1.980 1.00 0.00 O ATOM 975 CB PRO B 4 -12.822 -11.614 1.059 1.00 0.00 C ATOM 976 CG PRO B 4 -11.790 -12.620 1.583 1.00 0.00 C ATOM 977 CD PRO B 4 -10.727 -12.699 0.486 1.00 0.00 C ATOM 0 HA PRO B 4 -12.626 -10.240 -0.614 1.00 0.00 H new ATOM 0 HB2 PRO B 4 -13.316 -11.090 1.877 1.00 0.00 H new ATOM 0 HB3 PRO B 4 -13.602 -12.110 0.481 1.00 0.00 H new ATOM 0 HG2 PRO B 4 -11.359 -12.288 2.528 1.00 0.00 H new ATOM 0 HG3 PRO B 4 -12.244 -13.594 1.764 1.00 0.00 H new ATOM 0 HD2 PRO B 4 -9.728 -12.806 0.909 1.00 0.00 H new ATOM 0 HD3 PRO B 4 -10.891 -13.559 -0.164 1.00 0.00 H new ATOM 985 N VAL B 5 -11.838 -8.307 0.518 1.00 0.00 N ATOM 986 CA VAL B 5 -11.379 -7.061 1.096 1.00 0.00 C ATOM 987 C VAL B 5 -11.953 -6.829 2.509 1.00 0.00 C ATOM 988 O VAL B 5 -13.128 -7.086 2.747 1.00 0.00 O ATOM 989 CB VAL B 5 -11.689 -5.927 0.140 1.00 0.00 C ATOM 990 CG1 VAL B 5 -10.726 -4.751 0.332 1.00 0.00 C ATOM 991 CG2 VAL B 5 -11.579 -6.332 -1.310 1.00 0.00 C ATOM 0 H VAL B 5 -12.464 -8.198 -0.280 1.00 0.00 H new ATOM 0 HA VAL B 5 -10.299 -7.107 1.234 1.00 0.00 H new ATOM 0 HB VAL B 5 -12.716 -5.645 0.372 1.00 0.00 H new ATOM 0 HG11 VAL B 5 -10.978 -3.956 -0.370 1.00 0.00 H new ATOM 0 HG12 VAL B 5 -10.810 -4.375 1.352 1.00 0.00 H new ATOM 0 HG13 VAL B 5 -9.704 -5.084 0.151 1.00 0.00 H new ATOM 0 HG21 VAL B 5 -11.813 -5.478 -1.945 1.00 0.00 H new ATOM 0 HG22 VAL B 5 -10.564 -6.671 -1.517 1.00 0.00 H new ATOM 0 HG23 VAL B 5 -12.281 -7.140 -1.516 1.00 0.00 H new ATOM 1001 N PRO B 6 -11.089 -6.341 3.443 1.00 0.00 N ATOM 1002 CA PRO B 6 -11.522 -6.063 4.812 1.00 0.00 C ATOM 1003 C PRO B 6 -12.667 -5.029 4.921 1.00 0.00 C ATOM 1004 O PRO B 6 -12.931 -4.268 4.001 1.00 0.00 O ATOM 1005 CB PRO B 6 -10.278 -5.461 5.485 1.00 0.00 C ATOM 1006 CG PRO B 6 -9.078 -5.780 4.598 1.00 0.00 C ATOM 1007 CD PRO B 6 -9.658 -6.093 3.221 1.00 0.00 C ATOM 0 HA PRO B 6 -11.906 -6.978 5.262 1.00 0.00 H new ATOM 0 HB2 PRO B 6 -10.390 -4.383 5.605 1.00 0.00 H new ATOM 0 HB3 PRO B 6 -10.140 -5.880 6.482 1.00 0.00 H new ATOM 0 HG2 PRO B 6 -8.390 -4.936 4.551 1.00 0.00 H new ATOM 0 HG3 PRO B 6 -8.516 -6.628 4.989 1.00 0.00 H new ATOM 0 HD2 PRO B 6 -9.506 -5.261 2.533 1.00 0.00 H new ATOM 0 HD3 PRO B 6 -9.173 -6.964 2.780 1.00 0.00 H new ATOM 1015 N PRO B 7 -13.347 -5.030 6.094 1.00 0.00 N ATOM 1016 CA PRO B 7 -14.405 -4.059 6.350 1.00 0.00 C ATOM 1017 C PRO B 7 -13.789 -2.724 6.830 1.00 0.00 C ATOM 1018 O PRO B 7 -13.215 -2.656 7.911 1.00 0.00 O ATOM 1019 CB PRO B 7 -15.191 -4.694 7.505 1.00 0.00 C ATOM 1020 CG PRO B 7 -14.170 -5.575 8.238 1.00 0.00 C ATOM 1021 CD PRO B 7 -13.216 -6.043 7.139 1.00 0.00 C ATOM 0 HA PRO B 7 -15.011 -3.845 5.470 1.00 0.00 H new ATOM 0 HB2 PRO B 7 -15.604 -3.933 8.167 1.00 0.00 H new ATOM 0 HB3 PRO B 7 -16.029 -5.284 7.135 1.00 0.00 H new ATOM 0 HG2 PRO B 7 -13.643 -5.015 9.010 1.00 0.00 H new ATOM 0 HG3 PRO B 7 -14.654 -6.419 8.731 1.00 0.00 H new ATOM 0 HD2 PRO B 7 -12.191 -6.109 7.503 1.00 0.00 H new ATOM 0 HD3 PRO B 7 -13.488 -7.032 6.771 1.00 0.00 H new ATOM 1029 N ARG B 8 -13.935 -1.682 5.982 1.00 0.00 N ATOM 1030 CA ARG B 8 -13.428 -0.348 6.338 1.00 0.00 C ATOM 1031 C ARG B 8 -14.519 0.405 7.115 1.00 0.00 C ATOM 1032 O ARG B 8 -15.227 1.276 6.629 1.00 0.00 O ATOM 1033 CB ARG B 8 -12.910 0.463 5.140 1.00 0.00 C ATOM 1034 CG ARG B 8 -13.777 0.446 3.875 1.00 0.00 C ATOM 1035 CD ARG B 8 -14.325 1.828 3.506 1.00 0.00 C ATOM 1036 NE ARG B 8 -15.087 1.702 2.272 1.00 0.00 N ATOM 1037 CZ ARG B 8 -16.133 2.484 1.945 1.00 0.00 C ATOM 1038 NH1 ARG B 8 -16.532 3.482 2.727 1.00 0.00 N ATOM 1039 NH2 ARG B 8 -16.775 2.245 0.813 1.00 0.00 N ATOM 0 H ARG B 8 -14.388 -1.739 5.070 1.00 0.00 H new ATOM 0 HA ARG B 8 -12.550 -0.484 6.969 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -12.789 1.499 5.456 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -11.919 0.091 4.879 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -13.188 0.061 3.043 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -14.610 -0.242 4.021 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -14.958 2.212 4.306 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -13.508 2.539 3.377 1.00 0.00 H new ATOM 0 HE ARG B 8 -14.811 0.974 1.613 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -16.042 3.672 3.601 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -17.328 4.058 2.453 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -16.475 1.481 0.208 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -17.570 2.825 0.545 1.00 0.00 H new