USER MOD reduce.3.24.130724 H: found=0, std=0, add=394, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 337 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 44 SER OG : rot -110:sc= 0.264 USER MOD Set 1.2: A 47 THR OG1 : rot -115:sc= -0.129 USER MOD Set 2.1: A 17 THR OG1 : rot 180:sc= 0.00633 USER MOD Set 2.2: A 33 ASN : amide:sc= -1.11 K(o=-1.1,f=-9.9!) USER MOD Set 3.1: A 11 TYR OH : rot 140:sc= -0.277! USER MOD Set 3.2: A 39 ASN :FLIP amide:sc= -0.759 F(o=-7.8!,f=-1) USER MOD Single : A 1 LEU N :NH3+ 151:sc= 0.0566 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 155:sc= 0.275 (180deg=0.031) USER MOD Single : A 20 TYR OH : rot 180:sc= -0.139 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN :FLIP amide:sc= 0.708 F(o=-0.47,f=0.71) USER MOD Single : A 29 LYS NZ :NH3+ -165:sc=-0.000269 (180deg=-0.197) USER MOD Single : A 30 THR OG1 : rot 120:sc=-0.00522 USER MOD Single : A 31 TYR OH : rot 180:sc= -0.658 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 ASN : amide:sc= -0.182 X(o=-0.18,f=-0.61) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.00371 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HE2:sc= -0.779 X(o=-0.78,f=-0.35) USER MOD Single : A 55 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.028) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -13.223 11.271 4.975 1.00 0.00 N ATOM 2 CA LEU A 1 -13.983 10.038 5.085 1.00 0.00 C ATOM 3 C LEU A 1 -14.214 9.458 3.688 1.00 0.00 C ATOM 4 O LEU A 1 -13.902 10.102 2.686 1.00 0.00 O ATOM 5 CB LEU A 1 -15.272 10.272 5.875 1.00 0.00 C ATOM 6 CG LEU A 1 -15.318 9.668 7.280 1.00 0.00 C ATOM 7 CD1 LEU A 1 -15.197 8.144 7.226 1.00 0.00 C ATOM 8 CD2 LEU A 1 -14.252 10.296 8.180 1.00 0.00 C ATOM 0 H1 LEU A 1 -13.467 11.901 5.766 1.00 0.00 H new ATOM 0 H2 LEU A 1 -12.206 11.056 5.005 1.00 0.00 H new ATOM 0 H3 LEU A 1 -13.451 11.741 4.076 1.00 0.00 H new ATOM 0 HA LEU A 1 -13.421 9.294 5.649 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -15.434 11.347 5.958 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -16.105 9.868 5.300 1.00 0.00 H new ATOM 0 HG LEU A 1 -16.288 9.898 7.720 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -15.232 7.740 8.238 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -16.021 7.734 6.642 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -14.251 7.870 6.759 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -14.305 9.850 9.173 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -13.265 10.117 7.754 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -14.425 11.370 8.255 1.00 0.00 H new ATOM 19 N ALA A 2 -14.757 8.251 3.665 1.00 0.00 N ATOM 20 CA ALA A 2 -15.034 7.578 2.407 1.00 0.00 C ATOM 21 C ALA A 2 -13.730 7.422 1.620 1.00 0.00 C ATOM 22 O ALA A 2 -13.568 8.018 0.556 1.00 0.00 O ATOM 23 CB ALA A 2 -16.092 8.362 1.630 1.00 0.00 C ATOM 0 H ALA A 2 -15.013 7.720 4.498 1.00 0.00 H new ATOM 0 HA ALA A 2 -15.434 6.580 2.586 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -16.299 7.857 0.687 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -17.007 8.420 2.219 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -15.725 9.368 1.430 1.00 0.00 H new ATOM 29 N ALA A 3 -12.835 6.617 2.174 1.00 0.00 N ATOM 30 CA ALA A 3 -11.551 6.375 1.538 1.00 0.00 C ATOM 31 C ALA A 3 -10.738 5.404 2.395 1.00 0.00 C ATOM 32 O ALA A 3 -9.991 5.825 3.277 1.00 0.00 O ATOM 33 CB ALA A 3 -10.830 7.706 1.320 1.00 0.00 C ATOM 0 H ALA A 3 -12.974 6.124 3.056 1.00 0.00 H new ATOM 0 HA ALA A 3 -11.688 5.915 0.559 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -9.867 7.524 0.843 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -11.436 8.348 0.681 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -10.672 8.196 2.281 1.00 0.00 H new ATOM 39 N VAL A 4 -10.908 4.122 2.104 1.00 0.00 N ATOM 40 CA VAL A 4 -10.198 3.088 2.837 1.00 0.00 C ATOM 41 C VAL A 4 -8.696 3.377 2.793 1.00 0.00 C ATOM 42 O VAL A 4 -8.237 4.170 1.972 1.00 0.00 O ATOM 43 CB VAL A 4 -10.559 1.710 2.278 1.00 0.00 C ATOM 44 CG1 VAL A 4 -10.179 1.601 0.800 1.00 0.00 C ATOM 45 CG2 VAL A 4 -9.901 0.597 3.097 1.00 0.00 C ATOM 0 H VAL A 4 -11.527 3.776 1.371 1.00 0.00 H new ATOM 0 HA VAL A 4 -10.498 3.088 3.885 1.00 0.00 H new ATOM 0 HB VAL A 4 -11.640 1.589 2.356 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -10.446 0.612 0.428 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -10.714 2.360 0.230 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -9.105 1.753 0.688 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -10.174 -0.372 2.679 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -8.818 0.714 3.066 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -10.242 0.655 4.130 1.00 0.00 H new ATOM 55 N SER A 5 -7.973 2.718 3.685 1.00 0.00 N ATOM 56 CA SER A 5 -6.532 2.894 3.759 1.00 0.00 C ATOM 57 C SER A 5 -5.900 1.720 4.511 1.00 0.00 C ATOM 58 O SER A 5 -6.549 1.090 5.343 1.00 0.00 O ATOM 59 CB SER A 5 -6.173 4.216 4.439 1.00 0.00 C ATOM 60 OG SER A 5 -6.181 4.106 5.859 1.00 0.00 O ATOM 0 H SER A 5 -8.358 2.061 4.363 1.00 0.00 H new ATOM 0 HA SER A 5 -6.137 2.921 2.743 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.186 4.539 4.106 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.881 4.986 4.131 1.00 0.00 H new ATOM 0 HG SER A 5 -5.945 4.971 6.255 1.00 0.00 H new ATOM 65 N VAL A 6 -4.640 1.465 4.191 1.00 0.00 N ATOM 66 CA VAL A 6 -3.912 0.380 4.826 1.00 0.00 C ATOM 67 C VAL A 6 -3.123 0.928 6.017 1.00 0.00 C ATOM 68 O VAL A 6 -2.826 2.121 6.073 1.00 0.00 O ATOM 69 CB VAL A 6 -3.027 -0.329 3.798 1.00 0.00 C ATOM 70 CG1 VAL A 6 -2.399 -1.591 4.393 1.00 0.00 C ATOM 71 CG2 VAL A 6 -3.817 -0.656 2.529 1.00 0.00 C ATOM 0 H VAL A 6 -4.105 1.991 3.500 1.00 0.00 H new ATOM 0 HA VAL A 6 -4.604 -0.369 5.212 1.00 0.00 H new ATOM 0 HB VAL A 6 -2.219 0.350 3.525 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -1.775 -2.076 3.642 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -1.787 -1.322 5.254 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -3.187 -2.276 4.707 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -3.166 -1.159 1.814 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -4.654 -1.308 2.779 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -4.195 0.266 2.088 1.00 0.00 H new ATOM 81 N ASP A 7 -2.804 0.032 6.938 1.00 0.00 N ATOM 82 CA ASP A 7 -2.054 0.412 8.124 1.00 0.00 C ATOM 83 C ASP A 7 -0.556 0.323 7.825 1.00 0.00 C ATOM 84 O ASP A 7 -0.021 -0.768 7.641 1.00 0.00 O ATOM 85 CB ASP A 7 -2.360 -0.528 9.293 1.00 0.00 C ATOM 86 CG ASP A 7 -1.730 -0.125 10.628 1.00 0.00 C ATOM 87 OD1 ASP A 7 -1.079 0.925 10.735 1.00 0.00 O ATOM 88 OD2 ASP A 7 -1.930 -0.952 11.597 1.00 0.00 O ATOM 0 H ASP A 7 -3.051 -0.956 6.888 1.00 0.00 H new ATOM 0 HA ASP A 7 -2.341 1.428 8.394 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -3.441 -0.585 9.421 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -2.017 -1.530 9.034 1.00 0.00 H new ATOM 93 N CYS A 8 0.076 1.487 7.787 1.00 0.00 N ATOM 94 CA CYS A 8 1.502 1.555 7.514 1.00 0.00 C ATOM 95 C CYS A 8 2.187 2.227 8.705 1.00 0.00 C ATOM 96 O CYS A 8 3.400 2.433 8.692 1.00 0.00 O ATOM 97 CB CYS A 8 1.793 2.283 6.201 1.00 0.00 C ATOM 98 SG CYS A 8 0.606 1.936 4.851 1.00 0.00 S ATOM 0 H CYS A 8 -0.373 2.390 7.941 1.00 0.00 H new ATOM 0 HA CYS A 8 1.900 0.548 7.389 1.00 0.00 H new ATOM 0 HB2 CYS A 8 1.802 3.356 6.391 1.00 0.00 H new ATOM 0 HB3 CYS A 8 2.794 2.011 5.865 1.00 0.00 H new ATOM 102 N SER A 9 1.381 2.552 9.705 1.00 0.00 N ATOM 103 CA SER A 9 1.896 3.198 10.901 1.00 0.00 C ATOM 104 C SER A 9 2.725 2.204 11.716 1.00 0.00 C ATOM 105 O SER A 9 2.412 1.932 12.875 1.00 0.00 O ATOM 106 CB SER A 9 0.758 3.765 11.753 1.00 0.00 C ATOM 107 OG SER A 9 0.055 4.806 11.080 1.00 0.00 O ATOM 0 H SER A 9 0.376 2.380 9.712 1.00 0.00 H new ATOM 0 HA SER A 9 2.533 4.028 10.595 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.063 2.965 12.009 1.00 0.00 H new ATOM 0 HB3 SER A 9 1.163 4.148 12.690 1.00 0.00 H new ATOM 0 HG SER A 9 -0.664 5.140 11.656 1.00 0.00 H new ATOM 112 N GLU A 10 3.767 1.690 11.081 1.00 0.00 N ATOM 113 CA GLU A 10 4.644 0.732 11.733 1.00 0.00 C ATOM 114 C GLU A 10 5.941 0.572 10.936 1.00 0.00 C ATOM 115 O GLU A 10 7.022 0.477 11.515 1.00 0.00 O ATOM 116 CB GLU A 10 3.944 -0.615 11.918 1.00 0.00 C ATOM 117 CG GLU A 10 3.914 -1.403 10.606 1.00 0.00 C ATOM 118 CD GLU A 10 3.026 -0.709 9.570 1.00 0.00 C ATOM 119 OE1 GLU A 10 3.534 0.036 8.718 1.00 0.00 O ATOM 120 OE2 GLU A 10 1.767 -0.967 9.671 1.00 0.00 O ATOM 0 H GLU A 10 4.024 1.919 10.121 1.00 0.00 H new ATOM 0 HA GLU A 10 4.894 1.113 12.723 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.460 -1.195 12.683 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.926 -0.454 12.273 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.926 -1.503 10.214 1.00 0.00 H new ATOM 0 HG3 GLU A 10 3.543 -2.411 10.791 1.00 0.00 H new ATOM 126 N TYR A 11 5.790 0.546 9.620 1.00 0.00 N ATOM 127 CA TYR A 11 6.935 0.399 8.738 1.00 0.00 C ATOM 128 C TYR A 11 8.140 1.179 9.269 1.00 0.00 C ATOM 129 O TYR A 11 7.983 2.109 10.058 1.00 0.00 O ATOM 130 CB TYR A 11 6.511 0.991 7.392 1.00 0.00 C ATOM 131 CG TYR A 11 6.427 -0.034 6.260 1.00 0.00 C ATOM 132 CD1 TYR A 11 5.339 -0.878 6.173 1.00 0.00 C ATOM 133 CD2 TYR A 11 7.439 -0.115 5.326 1.00 0.00 C ATOM 134 CE1 TYR A 11 5.259 -1.843 5.107 1.00 0.00 C ATOM 135 CE2 TYR A 11 7.361 -1.080 4.260 1.00 0.00 C ATOM 136 CZ TYR A 11 6.274 -1.896 4.203 1.00 0.00 C ATOM 137 OH TYR A 11 6.200 -2.807 3.196 1.00 0.00 O ATOM 0 H TYR A 11 4.892 0.624 9.143 1.00 0.00 H new ATOM 0 HA TYR A 11 7.227 -0.648 8.660 1.00 0.00 H new ATOM 0 HB2 TYR A 11 5.539 1.470 7.508 1.00 0.00 H new ATOM 0 HB3 TYR A 11 7.219 1.771 7.111 1.00 0.00 H new ATOM 0 HD1 TYR A 11 4.547 -0.815 6.905 1.00 0.00 H new ATOM 0 HD2 TYR A 11 8.290 0.546 5.394 1.00 0.00 H new ATOM 0 HE1 TYR A 11 4.413 -2.509 5.027 1.00 0.00 H new ATOM 0 HE2 TYR A 11 8.147 -1.154 3.523 1.00 0.00 H new ATOM 0 HH TYR A 11 6.521 -2.401 2.364 1.00 0.00 H new ATOM 146 N PRO A 12 9.347 0.761 8.801 1.00 0.00 N ATOM 147 CA PRO A 12 9.444 -0.348 7.868 1.00 0.00 C ATOM 148 C PRO A 12 9.218 -1.684 8.578 1.00 0.00 C ATOM 149 O PRO A 12 9.699 -1.888 9.692 1.00 0.00 O ATOM 150 CB PRO A 12 10.831 -0.227 7.257 1.00 0.00 C ATOM 151 CG PRO A 12 11.626 0.659 8.201 1.00 0.00 C ATOM 152 CD PRO A 12 10.645 1.332 9.147 1.00 0.00 C ATOM 0 HA PRO A 12 8.677 -0.315 7.094 1.00 0.00 H new ATOM 0 HB2 PRO A 12 11.299 -1.206 7.153 1.00 0.00 H new ATOM 0 HB3 PRO A 12 10.782 0.210 6.260 1.00 0.00 H new ATOM 0 HG2 PRO A 12 12.351 0.067 8.760 1.00 0.00 H new ATOM 0 HG3 PRO A 12 12.189 1.405 7.641 1.00 0.00 H new ATOM 0 HD2 PRO A 12 10.900 1.135 10.188 1.00 0.00 H new ATOM 0 HD3 PRO A 12 10.649 2.414 9.018 1.00 0.00 H new ATOM 157 N LYS A 13 8.485 -2.559 7.905 1.00 0.00 N ATOM 158 CA LYS A 13 8.190 -3.870 8.458 1.00 0.00 C ATOM 159 C LYS A 13 9.183 -4.890 7.899 1.00 0.00 C ATOM 160 O LYS A 13 9.550 -4.827 6.728 1.00 0.00 O ATOM 161 CB LYS A 13 6.725 -4.238 8.212 1.00 0.00 C ATOM 162 CG LYS A 13 6.490 -4.597 6.743 1.00 0.00 C ATOM 163 CD LYS A 13 4.996 -4.637 6.420 1.00 0.00 C ATOM 164 CE LYS A 13 4.291 -5.731 7.226 1.00 0.00 C ATOM 165 NZ LYS A 13 3.389 -6.516 6.353 1.00 0.00 N ATOM 0 H LYS A 13 8.087 -2.386 6.982 1.00 0.00 H new ATOM 0 HA LYS A 13 8.315 -3.864 9.541 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.446 -5.080 8.845 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.084 -3.402 8.493 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.984 -3.866 6.103 1.00 0.00 H new ATOM 0 HG3 LYS A 13 6.939 -5.566 6.526 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.546 -3.669 6.642 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.855 -4.817 5.354 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.031 -6.390 7.681 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.720 -5.282 8.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 3.252 -7.464 6.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 2.470 -6.034 6.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 3.810 -6.602 5.406 1.00 0.00 H new ATOM 175 N ASP A 14 9.589 -5.808 8.765 1.00 0.00 N ATOM 176 CA ASP A 14 10.533 -6.841 8.372 1.00 0.00 C ATOM 177 C ASP A 14 9.779 -8.152 8.139 1.00 0.00 C ATOM 178 O ASP A 14 10.164 -9.196 8.665 1.00 0.00 O ATOM 179 CB ASP A 14 11.573 -7.082 9.467 1.00 0.00 C ATOM 180 CG ASP A 14 12.658 -6.009 9.576 1.00 0.00 C ATOM 181 OD1 ASP A 14 12.760 -5.304 10.591 1.00 0.00 O ATOM 182 OD2 ASP A 14 13.431 -5.910 8.548 1.00 0.00 O ATOM 0 H ASP A 14 9.282 -5.858 9.736 1.00 0.00 H new ATOM 0 HA ASP A 14 11.036 -6.510 7.464 1.00 0.00 H new ATOM 0 HB2 ASP A 14 11.059 -7.156 10.425 1.00 0.00 H new ATOM 0 HB3 ASP A 14 12.052 -8.044 9.287 1.00 0.00 H new ATOM 187 N ALA A 15 8.719 -8.056 7.349 1.00 0.00 N ATOM 188 CA ALA A 15 7.909 -9.222 7.041 1.00 0.00 C ATOM 189 C ALA A 15 6.788 -8.818 6.081 1.00 0.00 C ATOM 190 O ALA A 15 6.131 -7.798 6.282 1.00 0.00 O ATOM 191 CB ALA A 15 7.374 -9.831 8.338 1.00 0.00 C ATOM 0 H ALA A 15 8.403 -7.189 6.914 1.00 0.00 H new ATOM 0 HA ALA A 15 8.509 -9.986 6.547 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.766 -10.706 8.106 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.209 -10.127 8.972 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.764 -9.094 8.861 1.00 0.00 H new ATOM 197 N CYS A 16 6.604 -9.639 5.057 1.00 0.00 N ATOM 198 CA CYS A 16 5.574 -9.381 4.066 1.00 0.00 C ATOM 199 C CYS A 16 4.835 -10.690 3.788 1.00 0.00 C ATOM 200 O CYS A 16 5.209 -11.741 4.307 1.00 0.00 O ATOM 201 CB CYS A 16 6.158 -8.772 2.789 1.00 0.00 C ATOM 202 SG CYS A 16 6.774 -7.058 2.967 1.00 0.00 S ATOM 0 H CYS A 16 7.152 -10.484 4.893 1.00 0.00 H new ATOM 0 HA CYS A 16 4.870 -8.644 4.453 1.00 0.00 H new ATOM 0 HB2 CYS A 16 6.977 -9.403 2.444 1.00 0.00 H new ATOM 0 HB3 CYS A 16 5.393 -8.789 2.013 1.00 0.00 H new ATOM 206 N THR A 17 3.799 -10.586 2.968 1.00 0.00 N ATOM 207 CA THR A 17 3.003 -11.749 2.615 1.00 0.00 C ATOM 208 C THR A 17 3.420 -12.282 1.242 1.00 0.00 C ATOM 209 O THR A 17 4.167 -11.628 0.518 1.00 0.00 O ATOM 210 CB THR A 17 1.527 -11.355 2.691 1.00 0.00 C ATOM 211 OG1 THR A 17 1.389 -10.335 1.705 1.00 0.00 O ATOM 212 CG2 THR A 17 1.177 -10.652 4.004 1.00 0.00 C ATOM 0 H THR A 17 3.493 -9.713 2.538 1.00 0.00 H new ATOM 0 HA THR A 17 3.170 -12.569 3.313 1.00 0.00 H new ATOM 0 HB THR A 17 0.907 -12.244 2.578 1.00 0.00 H new ATOM 0 HG1 THR A 17 0.460 -10.023 1.685 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.118 -10.393 4.007 1.00 0.00 H new ATOM 0 HG22 THR A 17 1.391 -11.317 4.841 1.00 0.00 H new ATOM 0 HG23 THR A 17 1.772 -9.744 4.101 1.00 0.00 H new ATOM 220 N LEU A 18 2.917 -13.467 0.926 1.00 0.00 N ATOM 221 CA LEU A 18 3.227 -14.096 -0.347 1.00 0.00 C ATOM 222 C LEU A 18 2.089 -13.827 -1.335 1.00 0.00 C ATOM 223 O LEU A 18 2.306 -13.799 -2.544 1.00 0.00 O ATOM 224 CB LEU A 18 3.533 -15.582 -0.151 1.00 0.00 C ATOM 225 CG LEU A 18 4.887 -15.911 0.481 1.00 0.00 C ATOM 226 CD1 LEU A 18 4.768 -17.084 1.455 1.00 0.00 C ATOM 227 CD2 LEU A 18 5.946 -16.162 -0.594 1.00 0.00 C ATOM 0 H LEU A 18 2.297 -14.008 1.529 1.00 0.00 H new ATOM 0 HA LEU A 18 4.131 -13.663 -0.775 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.749 -16.015 0.471 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.478 -16.075 -1.122 1.00 0.00 H new ATOM 0 HG LEU A 18 5.214 -15.047 1.059 1.00 0.00 H new ATOM 0 HD11 LEU A 18 5.745 -17.297 1.890 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.066 -16.828 2.248 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.409 -17.964 0.922 1.00 0.00 H new ATOM 0 HD21 LEU A 18 6.899 -16.394 -0.119 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.639 -17.001 -1.219 1.00 0.00 H new ATOM 0 HD23 LEU A 18 6.056 -15.271 -1.212 1.00 0.00 H new ATOM 238 N GLU A 19 0.901 -13.636 -0.781 1.00 0.00 N ATOM 239 CA GLU A 19 -0.272 -13.371 -1.597 1.00 0.00 C ATOM 240 C GLU A 19 -0.071 -12.092 -2.413 1.00 0.00 C ATOM 241 O GLU A 19 0.738 -11.239 -2.049 1.00 0.00 O ATOM 242 CB GLU A 19 -1.531 -13.280 -0.734 1.00 0.00 C ATOM 243 CG GLU A 19 -1.354 -12.255 0.389 1.00 0.00 C ATOM 244 CD GLU A 19 -1.262 -12.945 1.751 1.00 0.00 C ATOM 245 OE1 GLU A 19 -0.832 -14.106 1.831 1.00 0.00 O ATOM 246 OE2 GLU A 19 -1.658 -12.232 2.750 1.00 0.00 O ATOM 0 H GLU A 19 0.725 -13.659 0.223 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.406 -14.203 -2.289 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.382 -13.001 -1.355 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.755 -14.258 -0.307 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -0.452 -11.669 0.213 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.192 -11.558 0.386 1.00 0.00 H new ATOM 252 N TYR A 20 -0.822 -11.998 -3.500 1.00 0.00 N ATOM 253 CA TYR A 20 -0.738 -10.837 -4.370 1.00 0.00 C ATOM 254 C TYR A 20 -2.004 -9.983 -4.269 1.00 0.00 C ATOM 255 O TYR A 20 -3.096 -10.444 -4.596 1.00 0.00 O ATOM 256 CB TYR A 20 -0.619 -11.385 -5.793 1.00 0.00 C ATOM 257 CG TYR A 20 -0.849 -10.337 -6.884 1.00 0.00 C ATOM 258 CD1 TYR A 20 -0.673 -8.997 -6.602 1.00 0.00 C ATOM 259 CD2 TYR A 20 -1.230 -10.732 -8.151 1.00 0.00 C ATOM 260 CE1 TYR A 20 -0.889 -8.011 -7.629 1.00 0.00 C ATOM 261 CE2 TYR A 20 -1.446 -9.745 -9.178 1.00 0.00 C ATOM 262 CZ TYR A 20 -1.265 -8.434 -8.866 1.00 0.00 C ATOM 263 OH TYR A 20 -1.468 -7.503 -9.836 1.00 0.00 O ATOM 0 H TYR A 20 -1.492 -12.707 -3.798 1.00 0.00 H new ATOM 0 HA TYR A 20 0.108 -10.209 -4.091 1.00 0.00 H new ATOM 0 HB2 TYR A 20 0.373 -11.818 -5.923 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -1.339 -12.193 -5.922 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -0.373 -8.688 -5.611 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -1.366 -11.780 -8.372 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -0.756 -6.959 -7.422 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -1.745 -10.040 -10.173 1.00 0.00 H new ATOM 0 HH TYR A 20 -1.731 -7.949 -10.668 1.00 0.00 H new ATOM 272 N ARG A 21 -1.814 -8.753 -3.814 1.00 0.00 N ATOM 273 CA ARG A 21 -2.928 -7.830 -3.665 1.00 0.00 C ATOM 274 C ARG A 21 -2.600 -6.493 -4.333 1.00 0.00 C ATOM 275 O ARG A 21 -1.961 -5.634 -3.728 1.00 0.00 O ATOM 276 CB ARG A 21 -3.251 -7.591 -2.190 1.00 0.00 C ATOM 277 CG ARG A 21 -3.703 -8.885 -1.510 1.00 0.00 C ATOM 278 CD ARG A 21 -5.034 -9.372 -2.088 1.00 0.00 C ATOM 279 NE ARG A 21 -4.842 -10.669 -2.775 1.00 0.00 N ATOM 280 CZ ARG A 21 -5.842 -11.492 -3.117 1.00 0.00 C ATOM 281 NH1 ARG A 21 -7.109 -11.159 -2.839 1.00 0.00 N ATOM 282 NH2 ARG A 21 -5.574 -12.649 -3.739 1.00 0.00 N ATOM 0 H ARG A 21 -0.906 -8.374 -3.544 1.00 0.00 H new ATOM 0 HA ARG A 21 -3.798 -8.277 -4.147 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.372 -7.197 -1.681 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -4.034 -6.838 -2.103 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -2.942 -9.654 -1.642 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -3.807 -8.720 -0.438 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -5.769 -9.479 -1.290 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -5.428 -8.635 -2.788 1.00 0.00 H new ATOM 0 HE ARG A 21 -3.889 -10.954 -3.002 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -7.313 -10.278 -2.367 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -7.870 -11.786 -3.100 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -4.609 -12.902 -3.952 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -6.335 -13.276 -4.000 1.00 0.00 H new ATOM 293 N PRO A 22 -3.067 -6.355 -5.603 1.00 0.00 N ATOM 294 CA PRO A 22 -2.830 -5.137 -6.359 1.00 0.00 C ATOM 295 C PRO A 22 -3.733 -4.003 -5.868 1.00 0.00 C ATOM 296 O PRO A 22 -4.915 -4.216 -5.602 1.00 0.00 O ATOM 297 CB PRO A 22 -3.088 -5.517 -7.808 1.00 0.00 C ATOM 298 CG PRO A 22 -3.906 -6.797 -7.764 1.00 0.00 C ATOM 299 CD PRO A 22 -3.828 -7.352 -6.351 1.00 0.00 C ATOM 0 HA PRO A 22 -1.816 -4.756 -6.236 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -3.628 -4.726 -8.329 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -2.151 -5.670 -8.344 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -4.942 -6.598 -8.039 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -3.520 -7.522 -8.481 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -4.822 -7.493 -5.925 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -3.333 -8.323 -6.334 1.00 0.00 H new ATOM 304 N LEU A 23 -3.141 -2.822 -5.762 1.00 0.00 N ATOM 305 CA LEU A 23 -3.877 -1.655 -5.308 1.00 0.00 C ATOM 306 C LEU A 23 -3.229 -0.394 -5.882 1.00 0.00 C ATOM 307 O LEU A 23 -2.021 -0.361 -6.113 1.00 0.00 O ATOM 308 CB LEU A 23 -3.984 -1.650 -3.781 1.00 0.00 C ATOM 309 CG LEU A 23 -2.720 -2.049 -3.018 1.00 0.00 C ATOM 310 CD1 LEU A 23 -1.731 -0.885 -2.949 1.00 0.00 C ATOM 311 CD2 LEU A 23 -3.065 -2.592 -1.630 1.00 0.00 C ATOM 0 H LEU A 23 -2.160 -2.649 -5.983 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.902 -1.684 -5.677 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.277 -0.650 -3.461 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.788 -2.326 -3.491 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.231 -2.855 -3.566 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.841 -1.196 -2.401 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.450 -0.586 -3.959 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.196 -0.042 -2.438 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.148 -2.868 -1.109 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.590 -1.826 -1.060 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.703 -3.470 -1.731 1.00 0.00 H new ATOM 322 N CYS A 24 -4.061 0.615 -6.097 1.00 0.00 N ATOM 323 CA CYS A 24 -3.585 1.875 -6.641 1.00 0.00 C ATOM 324 C CYS A 24 -3.450 2.874 -5.490 1.00 0.00 C ATOM 325 O CYS A 24 -4.236 2.847 -4.544 1.00 0.00 O ATOM 326 CB CYS A 24 -4.504 2.399 -7.746 1.00 0.00 C ATOM 327 SG CYS A 24 -4.077 4.063 -8.375 1.00 0.00 S ATOM 0 H CYS A 24 -5.062 0.585 -5.904 1.00 0.00 H new ATOM 0 HA CYS A 24 -2.612 1.727 -7.109 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -4.485 1.696 -8.578 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -5.527 2.420 -7.369 1.00 0.00 H new ATOM 331 N GLY A 25 -2.448 3.733 -5.608 1.00 0.00 N ATOM 332 CA GLY A 25 -2.200 4.739 -4.589 1.00 0.00 C ATOM 333 C GLY A 25 -2.810 6.084 -4.987 1.00 0.00 C ATOM 334 O GLY A 25 -3.425 6.202 -6.046 1.00 0.00 O ATOM 0 H GLY A 25 -1.798 3.753 -6.394 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -2.622 4.411 -3.639 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -1.126 4.853 -4.439 1.00 0.00 H new ATOM 338 N SER A 26 -2.619 7.065 -4.116 1.00 0.00 N ATOM 339 CA SER A 26 -3.144 8.398 -4.365 1.00 0.00 C ATOM 340 C SER A 26 -2.277 9.118 -5.398 1.00 0.00 C ATOM 341 O SER A 26 -2.706 10.104 -5.995 1.00 0.00 O ATOM 342 CB SER A 26 -3.213 9.211 -3.070 1.00 0.00 C ATOM 343 OG SER A 26 -3.327 10.609 -3.324 1.00 0.00 O ATOM 0 H SER A 26 -2.109 6.964 -3.239 1.00 0.00 H new ATOM 0 HA SER A 26 -4.156 8.300 -4.757 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.066 8.879 -2.478 1.00 0.00 H new ATOM 0 HB3 SER A 26 -2.319 9.022 -2.475 1.00 0.00 H new ATOM 0 HG SER A 26 -3.370 11.094 -2.473 1.00 0.00 H new ATOM 348 N ASP A 27 -1.073 8.596 -5.580 1.00 0.00 N ATOM 349 CA ASP A 27 -0.141 9.177 -6.532 1.00 0.00 C ATOM 350 C ASP A 27 -0.274 8.455 -7.874 1.00 0.00 C ATOM 351 O ASP A 27 0.459 8.749 -8.817 1.00 0.00 O ATOM 352 CB ASP A 27 1.304 9.023 -6.054 1.00 0.00 C ATOM 353 CG ASP A 27 1.724 7.591 -5.714 1.00 0.00 C ATOM 354 OD1 ASP A 27 0.880 6.733 -5.414 1.00 0.00 O ATOM 355 OD2 ASP A 27 2.993 7.368 -5.768 1.00 0.00 O ATOM 0 H ASP A 27 -0.721 7.777 -5.084 1.00 0.00 H new ATOM 0 HA ASP A 27 -0.377 10.237 -6.630 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.969 9.407 -6.827 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.447 9.647 -5.172 1.00 0.00 H new ATOM 360 N ASN A 28 -1.215 7.523 -7.918 1.00 0.00 N ATOM 361 CA ASN A 28 -1.453 6.756 -9.130 1.00 0.00 C ATOM 362 C ASN A 28 -0.382 5.674 -9.262 1.00 0.00 C ATOM 363 O ASN A 28 0.077 5.379 -10.365 1.00 0.00 O ATOM 364 CB ASN A 28 -1.380 7.650 -10.369 1.00 0.00 C ATOM 365 CG ASN A 28 -2.099 7.002 -11.554 1.00 0.00 C ATOM 366 OD1 ASN A 28 -3.303 7.512 -11.800 1.00 0.00 O flip ATOM 367 ND2 ASN A 28 -1.595 6.101 -12.204 1.00 0.00 N flip ATOM 0 H ASN A 28 -1.822 7.281 -7.134 1.00 0.00 H new ATOM 0 HA ASN A 28 -2.448 6.316 -9.062 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -1.831 8.618 -10.151 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -0.337 7.835 -10.628 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -0.666 5.755 -11.962 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -2.102 5.693 -12.989 1.00 0.00 H new ATOM 373 N LYS A 29 -0.012 5.109 -8.121 1.00 0.00 N ATOM 374 CA LYS A 29 0.998 4.064 -8.096 1.00 0.00 C ATOM 375 C LYS A 29 0.332 2.725 -7.775 1.00 0.00 C ATOM 376 O LYS A 29 -0.164 2.524 -6.667 1.00 0.00 O ATOM 377 CB LYS A 29 2.128 4.436 -7.134 1.00 0.00 C ATOM 378 CG LYS A 29 3.494 4.250 -7.796 1.00 0.00 C ATOM 379 CD LYS A 29 4.541 3.794 -6.778 1.00 0.00 C ATOM 380 CE LYS A 29 5.888 3.533 -7.455 1.00 0.00 C ATOM 381 NZ LYS A 29 5.809 2.334 -8.320 1.00 0.00 N ATOM 0 H LYS A 29 -0.394 5.355 -7.208 1.00 0.00 H new ATOM 0 HA LYS A 29 1.465 3.961 -9.075 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.013 5.472 -6.815 1.00 0.00 H new ATOM 0 HB3 LYS A 29 2.067 3.818 -6.238 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.416 3.515 -8.597 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.811 5.187 -8.253 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.659 4.555 -6.007 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.198 2.887 -6.280 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.177 4.400 -8.050 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.661 3.393 -6.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 6.769 2.021 -8.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.316 1.572 -7.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.286 2.566 -9.188 1.00 0.00 H new ATOM 391 N THR A 30 0.343 1.843 -8.764 1.00 0.00 N ATOM 392 CA THR A 30 -0.254 0.528 -8.600 1.00 0.00 C ATOM 393 C THR A 30 0.770 -0.455 -8.029 1.00 0.00 C ATOM 394 O THR A 30 1.708 -0.850 -8.719 1.00 0.00 O ATOM 395 CB THR A 30 -0.823 0.096 -9.953 1.00 0.00 C ATOM 396 OG1 THR A 30 -1.928 0.971 -10.161 1.00 0.00 O ATOM 397 CG2 THR A 30 -1.455 -1.297 -9.905 1.00 0.00 C ATOM 0 H THR A 30 0.756 2.013 -9.681 1.00 0.00 H new ATOM 0 HA THR A 30 -1.072 0.551 -7.880 1.00 0.00 H new ATOM 0 HB THR A 30 -0.030 0.109 -10.701 1.00 0.00 H new ATOM 0 HG1 THR A 30 -1.786 1.488 -10.981 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.843 -1.555 -10.890 1.00 0.00 H new ATOM 0 HG22 THR A 30 -0.703 -2.028 -9.609 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.270 -1.302 -9.181 1.00 0.00 H new ATOM 405 N TYR A 31 0.555 -0.822 -6.775 1.00 0.00 N ATOM 406 CA TYR A 31 1.446 -1.752 -6.102 1.00 0.00 C ATOM 407 C TYR A 31 0.897 -3.178 -6.161 1.00 0.00 C ATOM 408 O TYR A 31 -0.276 -3.383 -6.469 1.00 0.00 O ATOM 409 CB TYR A 31 1.505 -1.299 -4.642 1.00 0.00 C ATOM 410 CG TYR A 31 2.020 0.129 -4.453 1.00 0.00 C ATOM 411 CD1 TYR A 31 3.378 0.377 -4.444 1.00 0.00 C ATOM 412 CD2 TYR A 31 1.128 1.170 -4.292 1.00 0.00 C ATOM 413 CE1 TYR A 31 3.863 1.721 -4.266 1.00 0.00 C ATOM 414 CE2 TYR A 31 1.613 2.513 -4.114 1.00 0.00 C ATOM 415 CZ TYR A 31 2.957 2.723 -4.110 1.00 0.00 C ATOM 416 OH TYR A 31 3.415 3.992 -3.942 1.00 0.00 O ATOM 0 H TYR A 31 -0.225 -0.492 -6.206 1.00 0.00 H new ATOM 0 HA TYR A 31 2.427 -1.756 -6.578 1.00 0.00 H new ATOM 0 HB2 TYR A 31 0.508 -1.375 -4.208 1.00 0.00 H new ATOM 0 HB3 TYR A 31 2.147 -1.982 -4.086 1.00 0.00 H new ATOM 0 HD1 TYR A 31 4.077 -0.437 -4.570 1.00 0.00 H new ATOM 0 HD2 TYR A 31 0.066 0.976 -4.300 1.00 0.00 H new ATOM 0 HE1 TYR A 31 4.923 1.929 -4.257 1.00 0.00 H new ATOM 0 HE2 TYR A 31 0.925 3.336 -3.986 1.00 0.00 H new ATOM 0 HH TYR A 31 2.656 4.604 -3.844 1.00 0.00 H new ATOM 425 N GLY A 32 1.771 -4.127 -5.859 1.00 0.00 N ATOM 426 CA GLY A 32 1.387 -5.529 -5.873 1.00 0.00 C ATOM 427 C GLY A 32 0.879 -5.972 -4.499 1.00 0.00 C ATOM 428 O GLY A 32 0.004 -6.831 -4.404 1.00 0.00 O ATOM 0 H GLY A 32 2.743 -3.953 -5.603 1.00 0.00 H new ATOM 0 HA2 GLY A 32 0.611 -5.690 -6.621 1.00 0.00 H new ATOM 0 HA3 GLY A 32 2.241 -6.141 -6.164 1.00 0.00 H new ATOM 432 N ASN A 33 1.452 -5.367 -3.469 1.00 0.00 N ATOM 433 CA ASN A 33 1.068 -5.688 -2.105 1.00 0.00 C ATOM 434 C ASN A 33 1.124 -4.419 -1.252 1.00 0.00 C ATOM 435 O ASN A 33 1.639 -3.394 -1.692 1.00 0.00 O ATOM 436 CB ASN A 33 2.023 -6.713 -1.491 1.00 0.00 C ATOM 437 CG ASN A 33 1.720 -8.122 -2.005 1.00 0.00 C ATOM 438 OD1 ASN A 33 1.460 -8.341 -3.176 1.00 0.00 O ATOM 439 ND2 ASN A 33 1.768 -9.063 -1.065 1.00 0.00 N ATOM 0 H ASN A 33 2.179 -4.656 -3.552 1.00 0.00 H new ATOM 0 HA ASN A 33 0.060 -6.102 -2.127 1.00 0.00 H new ATOM 0 HB2 ASN A 33 3.052 -6.447 -1.733 1.00 0.00 H new ATOM 0 HB3 ASN A 33 1.936 -6.692 -0.405 1.00 0.00 H new ATOM 0 HD21 ASN A 33 1.581 -10.036 -1.307 1.00 0.00 H new ATOM 0 HD22 ASN A 33 1.992 -8.811 -0.102 1.00 0.00 H new ATOM 445 N LYS A 34 0.586 -4.532 -0.046 1.00 0.00 N ATOM 446 CA LYS A 34 0.567 -3.406 0.872 1.00 0.00 C ATOM 447 C LYS A 34 1.992 -3.116 1.346 1.00 0.00 C ATOM 448 O LYS A 34 2.271 -2.036 1.864 1.00 0.00 O ATOM 449 CB LYS A 34 -0.419 -3.663 2.014 1.00 0.00 C ATOM 450 CG LYS A 34 0.282 -4.311 3.209 1.00 0.00 C ATOM 451 CD LYS A 34 -0.199 -5.749 3.414 1.00 0.00 C ATOM 452 CE LYS A 34 -0.223 -6.114 4.901 1.00 0.00 C ATOM 453 NZ LYS A 34 -1.563 -6.605 5.292 1.00 0.00 N ATOM 0 H LYS A 34 0.160 -5.385 0.316 1.00 0.00 H new ATOM 0 HA LYS A 34 0.209 -2.509 0.367 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -0.877 -2.723 2.322 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -1.224 -4.310 1.665 1.00 0.00 H new ATOM 0 HG2 LYS A 34 1.360 -4.304 3.050 1.00 0.00 H new ATOM 0 HG3 LYS A 34 0.088 -3.727 4.109 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -1.197 -5.866 2.991 1.00 0.00 H new ATOM 0 HD3 LYS A 34 0.457 -6.435 2.878 1.00 0.00 H new ATOM 0 HE2 LYS A 34 0.525 -6.880 5.106 1.00 0.00 H new ATOM 0 HE3 LYS A 34 0.041 -5.242 5.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -1.562 -6.848 6.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -2.270 -5.863 5.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.800 -7.449 4.733 1.00 0.00 H new ATOM 463 N CYS A 35 2.859 -4.100 1.149 1.00 0.00 N ATOM 464 CA CYS A 35 4.249 -3.963 1.549 1.00 0.00 C ATOM 465 C CYS A 35 4.926 -2.971 0.602 1.00 0.00 C ATOM 466 O CYS A 35 5.584 -2.032 1.048 1.00 0.00 O ATOM 467 CB CYS A 35 4.967 -5.314 1.568 1.00 0.00 C ATOM 468 SG CYS A 35 4.883 -6.206 3.165 1.00 0.00 S ATOM 0 H CYS A 35 2.625 -4.994 0.718 1.00 0.00 H new ATOM 0 HA CYS A 35 4.301 -3.583 2.569 1.00 0.00 H new ATOM 0 HB2 CYS A 35 4.539 -5.948 0.791 1.00 0.00 H new ATOM 0 HB3 CYS A 35 6.014 -5.157 1.310 1.00 0.00 H new ATOM 472 N ASN A 36 4.743 -3.214 -0.687 1.00 0.00 N ATOM 473 CA ASN A 36 5.328 -2.353 -1.702 1.00 0.00 C ATOM 474 C ASN A 36 4.744 -0.945 -1.568 1.00 0.00 C ATOM 475 O ASN A 36 5.479 0.041 -1.602 1.00 0.00 O ATOM 476 CB ASN A 36 5.011 -2.864 -3.108 1.00 0.00 C ATOM 477 CG ASN A 36 6.018 -3.930 -3.544 1.00 0.00 C ATOM 478 OD1 ASN A 36 6.959 -3.670 -4.275 1.00 0.00 O ATOM 479 ND2 ASN A 36 5.770 -5.141 -3.055 1.00 0.00 N ATOM 0 H ASN A 36 4.198 -3.995 -1.053 1.00 0.00 H new ATOM 0 HA ASN A 36 6.408 -2.346 -1.556 1.00 0.00 H new ATOM 0 HB2 ASN A 36 4.004 -3.280 -3.129 1.00 0.00 H new ATOM 0 HB3 ASN A 36 5.028 -2.033 -3.813 1.00 0.00 H new ATOM 0 HD21 ASN A 36 6.386 -5.921 -3.287 1.00 0.00 H new ATOM 0 HD22 ASN A 36 4.964 -5.291 -2.448 1.00 0.00 H new ATOM 485 N PHE A 37 3.429 -0.896 -1.419 1.00 0.00 N ATOM 486 CA PHE A 37 2.738 0.375 -1.280 1.00 0.00 C ATOM 487 C PHE A 37 3.221 1.129 -0.040 1.00 0.00 C ATOM 488 O PHE A 37 3.703 2.256 -0.143 1.00 0.00 O ATOM 489 CB PHE A 37 1.249 0.060 -1.122 1.00 0.00 C ATOM 490 CG PHE A 37 0.440 1.186 -0.474 1.00 0.00 C ATOM 491 CD1 PHE A 37 0.302 1.232 0.878 1.00 0.00 C ATOM 492 CD2 PHE A 37 -0.141 2.138 -1.251 1.00 0.00 C ATOM 493 CE1 PHE A 37 -0.449 2.277 1.479 1.00 0.00 C ATOM 494 CE2 PHE A 37 -0.892 3.184 -0.651 1.00 0.00 C ATOM 495 CZ PHE A 37 -1.030 3.230 0.702 1.00 0.00 C ATOM 0 H PHE A 37 2.823 -1.716 -1.391 1.00 0.00 H new ATOM 0 HA PHE A 37 2.932 1.001 -2.151 1.00 0.00 H new ATOM 0 HB2 PHE A 37 0.828 -0.158 -2.104 1.00 0.00 H new ATOM 0 HB3 PHE A 37 1.141 -0.843 -0.522 1.00 0.00 H new ATOM 0 HD1 PHE A 37 0.763 0.474 1.494 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -0.032 2.099 -2.325 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -0.559 2.315 2.553 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -1.353 3.942 -1.268 1.00 0.00 H new ATOM 0 HZ PHE A 37 -1.602 4.024 1.159 1.00 0.00 H new ATOM 504 N CYS A 38 3.076 0.477 1.105 1.00 0.00 N ATOM 505 CA CYS A 38 3.493 1.072 2.363 1.00 0.00 C ATOM 506 C CYS A 38 4.970 1.451 2.250 1.00 0.00 C ATOM 507 O CYS A 38 5.397 2.467 2.797 1.00 0.00 O ATOM 508 CB CYS A 38 3.233 0.135 3.545 1.00 0.00 C ATOM 509 SG CYS A 38 1.518 0.161 4.183 1.00 0.00 S ATOM 0 H CYS A 38 2.675 -0.457 1.187 1.00 0.00 H new ATOM 0 HA CYS A 38 2.904 1.968 2.557 1.00 0.00 H new ATOM 0 HB2 CYS A 38 3.478 -0.883 3.244 1.00 0.00 H new ATOM 0 HB3 CYS A 38 3.911 0.399 4.356 1.00 0.00 H new ATOM 513 N ASN A 39 5.709 0.615 1.535 1.00 0.00 N ATOM 514 CA ASN A 39 7.131 0.851 1.343 1.00 0.00 C ATOM 515 C ASN A 39 7.334 2.231 0.715 1.00 0.00 C ATOM 516 O ASN A 39 8.261 2.952 1.078 1.00 0.00 O ATOM 517 CB ASN A 39 7.739 -0.191 0.404 1.00 0.00 C ATOM 518 CG ASN A 39 8.645 -1.158 1.171 1.00 0.00 C ATOM 519 OD1 ASN A 39 8.037 -2.275 1.561 1.00 0.00 O flip ATOM 520 ND2 ASN A 39 9.818 -0.906 1.394 1.00 0.00 N flip ATOM 0 H ASN A 39 5.351 -0.226 1.082 1.00 0.00 H new ATOM 0 HA ASN A 39 7.619 0.788 2.316 1.00 0.00 H new ATOM 0 HB2 ASN A 39 6.943 -0.748 -0.091 1.00 0.00 H new ATOM 0 HB3 ASN A 39 8.312 0.308 -0.377 1.00 0.00 H new ATOM 0 HD21 ASN A 39 10.223 -0.029 1.066 1.00 0.00 H new ATOM 0 HD22 ASN A 39 10.394 -1.572 1.908 1.00 0.00 H new ATOM 526 N ALA A 40 6.451 2.556 -0.219 1.00 0.00 N ATOM 527 CA ALA A 40 6.522 3.837 -0.902 1.00 0.00 C ATOM 528 C ALA A 40 5.873 4.912 -0.029 1.00 0.00 C ATOM 529 O ALA A 40 6.244 6.083 -0.102 1.00 0.00 O ATOM 530 CB ALA A 40 5.857 3.720 -2.275 1.00 0.00 C ATOM 0 H ALA A 40 5.683 1.955 -0.518 1.00 0.00 H new ATOM 0 HA ALA A 40 7.559 4.128 -1.066 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.910 4.680 -2.788 1.00 0.00 H new ATOM 0 HB2 ALA A 40 6.374 2.964 -2.866 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.813 3.432 -2.150 1.00 0.00 H new ATOM 536 N VAL A 41 4.915 4.477 0.777 1.00 0.00 N ATOM 537 CA VAL A 41 4.212 5.389 1.663 1.00 0.00 C ATOM 538 C VAL A 41 5.164 5.860 2.764 1.00 0.00 C ATOM 539 O VAL A 41 5.423 7.056 2.895 1.00 0.00 O ATOM 540 CB VAL A 41 2.952 4.717 2.211 1.00 0.00 C ATOM 541 CG1 VAL A 41 2.167 5.672 3.113 1.00 0.00 C ATOM 542 CG2 VAL A 41 2.073 4.190 1.075 1.00 0.00 C ATOM 0 H VAL A 41 4.610 3.506 0.835 1.00 0.00 H new ATOM 0 HA VAL A 41 3.883 6.274 1.118 1.00 0.00 H new ATOM 0 HB VAL A 41 3.264 3.866 2.816 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.276 5.168 3.489 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.793 5.977 3.952 1.00 0.00 H new ATOM 0 HG13 VAL A 41 1.872 6.552 2.542 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.184 3.717 1.492 1.00 0.00 H new ATOM 0 HG22 VAL A 41 1.775 5.018 0.431 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.633 3.459 0.491 1.00 0.00 H new ATOM 552 N VAL A 42 5.660 4.897 3.526 1.00 0.00 N ATOM 553 CA VAL A 42 6.578 5.199 4.611 1.00 0.00 C ATOM 554 C VAL A 42 7.801 5.929 4.051 1.00 0.00 C ATOM 555 O VAL A 42 8.381 6.780 4.723 1.00 0.00 O ATOM 556 CB VAL A 42 6.940 3.916 5.362 1.00 0.00 C ATOM 557 CG1 VAL A 42 8.414 3.559 5.159 1.00 0.00 C ATOM 558 CG2 VAL A 42 6.607 4.040 6.851 1.00 0.00 C ATOM 0 H VAL A 42 5.444 3.907 3.414 1.00 0.00 H new ATOM 0 HA VAL A 42 6.107 5.863 5.336 1.00 0.00 H new ATOM 0 HB VAL A 42 6.339 3.106 4.950 1.00 0.00 H new ATOM 0 HG11 VAL A 42 8.645 2.643 5.703 1.00 0.00 H new ATOM 0 HG12 VAL A 42 8.609 3.409 4.097 1.00 0.00 H new ATOM 0 HG13 VAL A 42 9.039 4.370 5.532 1.00 0.00 H new ATOM 0 HG21 VAL A 42 6.874 3.115 7.362 1.00 0.00 H new ATOM 0 HG22 VAL A 42 7.170 4.868 7.282 1.00 0.00 H new ATOM 0 HG23 VAL A 42 5.540 4.226 6.971 1.00 0.00 H new ATOM 568 N GLU A 43 8.155 5.570 2.826 1.00 0.00 N ATOM 569 CA GLU A 43 9.297 6.180 2.167 1.00 0.00 C ATOM 570 C GLU A 43 9.004 7.646 1.845 1.00 0.00 C ATOM 571 O GLU A 43 9.914 8.473 1.813 1.00 0.00 O ATOM 572 CB GLU A 43 9.679 5.406 0.903 1.00 0.00 C ATOM 573 CG GLU A 43 10.675 4.290 1.223 1.00 0.00 C ATOM 574 CD GLU A 43 12.100 4.704 0.852 1.00 0.00 C ATOM 575 OE1 GLU A 43 12.289 5.600 0.017 1.00 0.00 O ATOM 576 OE2 GLU A 43 13.033 4.060 1.469 1.00 0.00 O ATOM 0 H GLU A 43 7.671 4.864 2.272 1.00 0.00 H new ATOM 0 HA GLU A 43 10.147 6.141 2.848 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.784 4.980 0.449 1.00 0.00 H new ATOM 0 HB3 GLU A 43 10.114 6.088 0.172 1.00 0.00 H new ATOM 0 HG2 GLU A 43 10.627 4.049 2.285 1.00 0.00 H new ATOM 0 HG3 GLU A 43 10.402 3.386 0.678 1.00 0.00 H new ATOM 582 N SER A 44 7.729 7.925 1.616 1.00 0.00 N ATOM 583 CA SER A 44 7.304 9.277 1.298 1.00 0.00 C ATOM 584 C SER A 44 6.832 9.990 2.567 1.00 0.00 C ATOM 585 O SER A 44 5.970 10.865 2.508 1.00 0.00 O ATOM 586 CB SER A 44 6.191 9.273 0.248 1.00 0.00 C ATOM 587 OG SER A 44 6.340 10.332 -0.693 1.00 0.00 O ATOM 0 H SER A 44 6.976 7.237 1.644 1.00 0.00 H new ATOM 0 HA SER A 44 8.157 9.814 0.883 1.00 0.00 H new ATOM 0 HB2 SER A 44 6.192 8.318 -0.278 1.00 0.00 H new ATOM 0 HB3 SER A 44 5.225 9.362 0.744 1.00 0.00 H new ATOM 0 HG SER A 44 5.630 10.994 -0.556 1.00 0.00 H new ATOM 592 N ASN A 45 7.420 9.589 3.686 1.00 0.00 N ATOM 593 CA ASN A 45 7.070 10.178 4.966 1.00 0.00 C ATOM 594 C ASN A 45 5.624 9.820 5.311 1.00 0.00 C ATOM 595 O ASN A 45 5.038 10.396 6.227 1.00 0.00 O ATOM 596 CB ASN A 45 7.181 11.704 4.920 1.00 0.00 C ATOM 597 CG ASN A 45 7.295 12.289 6.330 1.00 0.00 C ATOM 598 OD1 ASN A 45 8.026 11.800 7.175 1.00 0.00 O ATOM 599 ND2 ASN A 45 6.532 13.359 6.533 1.00 0.00 N ATOM 0 H ASN A 45 8.136 8.864 3.731 1.00 0.00 H new ATOM 0 HA ASN A 45 7.760 9.788 5.715 1.00 0.00 H new ATOM 0 HB2 ASN A 45 8.053 11.991 4.332 1.00 0.00 H new ATOM 0 HB3 ASN A 45 6.307 12.121 4.419 1.00 0.00 H new ATOM 0 HD21 ASN A 45 6.536 13.823 7.441 1.00 0.00 H new ATOM 0 HD22 ASN A 45 5.943 13.716 5.780 1.00 0.00 H new ATOM 605 N GLY A 46 5.087 8.871 4.558 1.00 0.00 N ATOM 606 CA GLY A 46 3.720 8.429 4.771 1.00 0.00 C ATOM 607 C GLY A 46 2.725 9.403 4.139 1.00 0.00 C ATOM 608 O GLY A 46 1.603 9.551 4.623 1.00 0.00 O ATOM 0 H GLY A 46 5.575 8.396 3.799 1.00 0.00 H new ATOM 0 HA2 GLY A 46 3.584 7.436 4.343 1.00 0.00 H new ATOM 0 HA3 GLY A 46 3.523 8.345 5.840 1.00 0.00 H new ATOM 612 N THR A 47 3.169 10.042 3.067 1.00 0.00 N ATOM 613 CA THR A 47 2.331 10.997 2.364 1.00 0.00 C ATOM 614 C THR A 47 1.418 10.275 1.370 1.00 0.00 C ATOM 615 O THR A 47 0.256 10.647 1.207 1.00 0.00 O ATOM 616 CB THR A 47 3.244 12.034 1.707 1.00 0.00 C ATOM 617 OG1 THR A 47 4.131 11.258 0.907 1.00 0.00 O ATOM 618 CG2 THR A 47 4.162 12.728 2.715 1.00 0.00 C ATOM 0 H THR A 47 4.099 9.917 2.668 1.00 0.00 H new ATOM 0 HA THR A 47 1.664 11.518 3.051 1.00 0.00 H new ATOM 0 HB THR A 47 2.636 12.781 1.196 1.00 0.00 H new ATOM 0 HG1 THR A 47 5.044 11.345 1.252 1.00 0.00 H new ATOM 0 HG21 THR A 47 4.789 13.454 2.197 1.00 0.00 H new ATOM 0 HG22 THR A 47 3.558 13.240 3.465 1.00 0.00 H new ATOM 0 HG23 THR A 47 4.794 11.986 3.203 1.00 0.00 H new ATOM 626 N LEU A 48 1.977 9.258 0.734 1.00 0.00 N ATOM 627 CA LEU A 48 1.227 8.481 -0.239 1.00 0.00 C ATOM 628 C LEU A 48 0.168 7.648 0.487 1.00 0.00 C ATOM 629 O LEU A 48 0.498 6.819 1.333 1.00 0.00 O ATOM 630 CB LEU A 48 2.175 7.650 -1.106 1.00 0.00 C ATOM 631 CG LEU A 48 1.514 6.775 -2.174 1.00 0.00 C ATOM 632 CD1 LEU A 48 1.035 5.450 -1.577 1.00 0.00 C ATOM 633 CD2 LEU A 48 0.385 7.528 -2.878 1.00 0.00 C ATOM 0 H LEU A 48 2.940 8.953 0.873 1.00 0.00 H new ATOM 0 HA LEU A 48 0.698 9.140 -0.927 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.872 8.327 -1.600 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.764 7.007 -0.452 1.00 0.00 H new ATOM 0 HG LEU A 48 2.261 6.536 -2.931 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.569 4.847 -2.356 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.885 4.910 -1.160 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.309 5.648 -0.789 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.067 6.884 -3.632 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.370 7.817 -2.147 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.787 8.421 -3.358 1.00 0.00 H new ATOM 644 N THR A 49 -1.082 7.897 0.127 1.00 0.00 N ATOM 645 CA THR A 49 -2.192 7.181 0.733 1.00 0.00 C ATOM 646 C THR A 49 -2.831 6.230 -0.281 1.00 0.00 C ATOM 647 O THR A 49 -2.805 6.490 -1.483 1.00 0.00 O ATOM 648 CB THR A 49 -3.170 8.214 1.298 1.00 0.00 C ATOM 649 OG1 THR A 49 -3.521 9.012 0.170 1.00 0.00 O ATOM 650 CG2 THR A 49 -2.494 9.199 2.254 1.00 0.00 C ATOM 0 H THR A 49 -1.351 8.585 -0.577 1.00 0.00 H new ATOM 0 HA THR A 49 -1.853 6.550 1.555 1.00 0.00 H new ATOM 0 HB THR A 49 -3.980 7.701 1.817 1.00 0.00 H new ATOM 0 HG1 THR A 49 -4.154 9.707 0.445 1.00 0.00 H new ATOM 0 HG21 THR A 49 -3.232 9.910 2.626 1.00 0.00 H new ATOM 0 HG22 THR A 49 -2.061 8.653 3.092 1.00 0.00 H new ATOM 0 HG23 THR A 49 -1.707 9.737 1.726 1.00 0.00 H new ATOM 658 N LEU A 50 -3.389 5.147 0.241 1.00 0.00 N ATOM 659 CA LEU A 50 -4.034 4.157 -0.603 1.00 0.00 C ATOM 660 C LEU A 50 -5.312 4.753 -1.198 1.00 0.00 C ATOM 661 O LEU A 50 -6.177 5.230 -0.465 1.00 0.00 O ATOM 662 CB LEU A 50 -4.263 2.859 0.172 1.00 0.00 C ATOM 663 CG LEU A 50 -5.088 1.787 -0.542 1.00 0.00 C ATOM 664 CD1 LEU A 50 -4.284 0.496 -0.708 1.00 0.00 C ATOM 665 CD2 LEU A 50 -6.417 1.546 0.179 1.00 0.00 C ATOM 0 H LEU A 50 -3.407 4.934 1.238 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.388 3.891 -1.439 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.292 2.434 0.424 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.757 3.103 1.112 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.325 2.149 -1.542 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.894 -0.249 -1.218 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.389 0.698 -1.297 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.995 0.119 0.273 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -6.984 0.779 -0.349 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.223 1.215 1.199 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.992 2.472 0.201 1.00 0.00 H new ATOM 676 N SER A 51 -5.389 4.706 -2.519 1.00 0.00 N ATOM 677 CA SER A 51 -6.547 5.235 -3.221 1.00 0.00 C ATOM 678 C SER A 51 -7.677 4.204 -3.218 1.00 0.00 C ATOM 679 O SER A 51 -8.808 4.518 -2.853 1.00 0.00 O ATOM 680 CB SER A 51 -6.190 5.629 -4.655 1.00 0.00 C ATOM 681 OG SER A 51 -6.440 7.008 -4.909 1.00 0.00 O ATOM 0 H SER A 51 -4.669 4.310 -3.123 1.00 0.00 H new ATOM 0 HA SER A 51 -6.882 6.132 -2.700 1.00 0.00 H new ATOM 0 HB2 SER A 51 -5.138 5.412 -4.839 1.00 0.00 H new ATOM 0 HB3 SER A 51 -6.768 5.022 -5.352 1.00 0.00 H new ATOM 0 HG SER A 51 -6.197 7.219 -5.835 1.00 0.00 H new ATOM 686 N HIS A 52 -7.330 2.993 -3.630 1.00 0.00 N ATOM 687 CA HIS A 52 -8.302 1.913 -3.679 1.00 0.00 C ATOM 688 C HIS A 52 -7.586 0.593 -3.972 1.00 0.00 C ATOM 689 O HIS A 52 -6.407 0.586 -4.322 1.00 0.00 O ATOM 690 CB HIS A 52 -9.408 2.225 -4.689 1.00 0.00 C ATOM 691 CG HIS A 52 -8.910 2.450 -6.097 1.00 0.00 C ATOM 692 ND1 HIS A 52 -8.781 1.426 -7.020 1.00 0.00 N ATOM 693 CD2 HIS A 52 -8.510 3.591 -6.729 1.00 0.00 C ATOM 694 CE1 HIS A 52 -8.324 1.940 -8.152 1.00 0.00 C ATOM 695 NE2 HIS A 52 -8.156 3.281 -7.970 1.00 0.00 N ATOM 0 H HIS A 52 -6.390 2.736 -3.933 1.00 0.00 H new ATOM 0 HA HIS A 52 -8.792 1.813 -2.710 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -10.123 1.402 -4.695 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -9.947 3.113 -4.359 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -9.000 0.443 -6.856 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -8.486 4.579 -6.293 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -8.120 1.393 -9.060 1.00 0.00 H new ATOM 703 N PHE A 53 -8.330 -0.493 -3.816 1.00 0.00 N ATOM 704 CA PHE A 53 -7.781 -1.817 -4.058 1.00 0.00 C ATOM 705 C PHE A 53 -8.002 -2.243 -5.511 1.00 0.00 C ATOM 706 O PHE A 53 -8.916 -1.755 -6.174 1.00 0.00 O ATOM 707 CB PHE A 53 -8.525 -2.784 -3.136 1.00 0.00 C ATOM 708 CG PHE A 53 -8.096 -2.700 -1.670 1.00 0.00 C ATOM 709 CD1 PHE A 53 -6.854 -3.114 -1.300 1.00 0.00 C ATOM 710 CD2 PHE A 53 -8.956 -2.212 -0.737 1.00 0.00 C ATOM 711 CE1 PHE A 53 -6.456 -3.036 0.061 1.00 0.00 C ATOM 712 CE2 PHE A 53 -8.558 -2.134 0.624 1.00 0.00 C ATOM 713 CZ PHE A 53 -7.317 -2.548 0.994 1.00 0.00 C ATOM 0 H PHE A 53 -9.308 -0.483 -3.525 1.00 0.00 H new ATOM 0 HA PHE A 53 -6.708 -1.817 -3.866 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -9.594 -2.584 -3.203 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -8.369 -3.802 -3.492 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -6.171 -3.502 -2.041 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -9.942 -1.884 -1.031 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -5.470 -3.364 0.355 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -9.241 -1.746 1.365 1.00 0.00 H new ATOM 0 HZ PHE A 53 -7.015 -2.489 2.029 1.00 0.00 H new ATOM 722 N GLY A 54 -7.149 -3.151 -5.964 1.00 0.00 N ATOM 723 CA GLY A 54 -7.239 -3.650 -7.325 1.00 0.00 C ATOM 724 C GLY A 54 -6.543 -2.701 -8.304 1.00 0.00 C ATOM 725 O GLY A 54 -6.513 -1.491 -8.087 1.00 0.00 O ATOM 0 H GLY A 54 -6.392 -3.554 -5.412 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -6.783 -4.638 -7.385 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -8.286 -3.764 -7.606 1.00 0.00 H new ATOM 729 N LYS A 55 -5.999 -3.287 -9.360 1.00 0.00 N ATOM 730 CA LYS A 55 -5.304 -2.510 -10.372 1.00 0.00 C ATOM 731 C LYS A 55 -6.082 -1.220 -10.642 1.00 0.00 C ATOM 732 O LYS A 55 -7.309 -1.237 -10.724 1.00 0.00 O ATOM 733 CB LYS A 55 -5.063 -3.355 -11.624 1.00 0.00 C ATOM 734 CG LYS A 55 -4.014 -4.437 -11.363 1.00 0.00 C ATOM 735 CD LYS A 55 -2.626 -3.978 -11.817 1.00 0.00 C ATOM 736 CE LYS A 55 -2.017 -4.972 -12.806 1.00 0.00 C ATOM 737 NZ LYS A 55 -2.757 -4.949 -14.088 1.00 0.00 N ATOM 0 H LYS A 55 -6.025 -4.291 -9.537 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.316 -2.219 -10.016 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -5.998 -3.819 -11.939 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -4.733 -2.714 -12.442 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -3.992 -4.678 -10.300 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -4.289 -5.350 -11.891 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -2.698 -2.995 -12.282 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -1.972 -3.874 -10.951 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -0.970 -4.725 -12.980 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -2.042 -5.976 -12.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -2.202 -5.440 -14.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -3.673 -5.427 -13.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -2.916 -3.963 -14.379 1.00 0.00 H new ATOM 747 N CYS A 56 -5.336 -0.133 -10.770 1.00 0.00 N ATOM 748 CA CYS A 56 -5.940 1.163 -11.028 1.00 0.00 C ATOM 749 C CYS A 56 -7.031 0.982 -12.084 1.00 0.00 C ATOM 750 O CYS A 56 -6.942 0.091 -12.928 1.00 0.00 O ATOM 751 CB CYS A 56 -4.897 2.198 -11.456 1.00 0.00 C ATOM 752 SG CYS A 56 -4.711 3.616 -10.315 1.00 0.00 S ATOM 0 H CYS A 56 -4.318 -0.123 -10.700 1.00 0.00 H new ATOM 0 HA CYS A 56 -6.384 1.550 -10.111 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -3.932 1.701 -11.556 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -5.164 2.576 -12.443 1.00 0.00 H new TER 756 CYS A 56