USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 634 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 47 THR OG1 : rot -31:sc= 0.492 USER MOD Set 1.2: A 48 ASN : amide:sc= -5.11! C(o=-4.6!,f=-9.8!) USER MOD Set 2.1: A 14 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.162) USER MOD Set 2.2: A 17 SER OG : rot 65:sc= -1.08! USER MOD Set 3.1: A 12 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 84 THR OG1 : rot 49:sc= -0.884 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -14.8! C(o=-15!,f=-17!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot -16:sc= 0.791 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot -58:sc= 0.529 USER MOD Single : A 26 THR OG1 : rot 86:sc= 1.01 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 ASN : amide:sc= -9.27! C(o=-9.3!,f=-11!) USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.267 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc=-0.00621 X(o=-0.0062,f=0) USER MOD Single : A 40 SER OG : rot 63:sc= -0.605 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -15.3! C(o=-15!,f=-22!) USER MOD Single : A 43 TYR OH : rot 50:sc= -0.347 USER MOD Single : A 44 THR OG1 : rot 180:sc=-0.00688 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= -1.54! USER MOD Single : A 58 ASN : amide:sc= -1.84 K(o=-1.8,f=-5.2) USER MOD Single : A 59 THR OG1 : rot 64:sc= 0.941 USER MOD Single : A 63 ASN : amide:sc= -1.31 K(o=-1.3,f=-0.09) USER MOD Single : A 64 THR OG1 : rot -78:sc= -2.16! USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -116:sc= -0.484 (180deg=-0.857) USER MOD Single : A 67 THR OG1 : rot 40:sc= 0.521 USER MOD Single : A 69 THR OG1 : rot 72:sc= -0.278 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -9.69! C(o=-9.7!,f=-11!) USER MOD Single : A 80 LYS NZ :NH3+ -160:sc= 0.285 (180deg=-0.374) USER MOD Single : A 82 THR OG1 : rot 89:sc= 0.618 USER MOD ----------------------------------------------------------------- ATOM 37 N ASP A 3 -6.345 16.650 -5.190 1.00 0.00 N ATOM 38 CA ASP A 3 -7.412 15.772 -5.656 1.00 0.00 C ATOM 39 C ASP A 3 -6.851 14.548 -6.379 1.00 0.00 C ATOM 40 O ASP A 3 -7.295 14.204 -7.475 1.00 0.00 O ATOM 41 CB ASP A 3 -8.358 16.538 -6.579 1.00 0.00 C ATOM 42 CG ASP A 3 -9.770 16.604 -6.035 1.00 0.00 C ATOM 43 OD1 ASP A 3 -10.168 15.674 -5.301 1.00 0.00 O ATOM 44 OD2 ASP A 3 -10.479 17.586 -6.342 1.00 0.00 O ATOM 0 HA ASP A 3 -7.964 15.423 -4.783 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -7.980 17.550 -6.723 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -8.371 16.060 -7.559 1.00 0.00 H new ATOM 49 N PRO A 4 -5.868 13.868 -5.767 1.00 0.00 N ATOM 50 CA PRO A 4 -5.251 12.673 -6.350 1.00 0.00 C ATOM 51 C PRO A 4 -6.141 11.446 -6.213 1.00 0.00 C ATOM 52 O PRO A 4 -6.833 11.284 -5.208 1.00 0.00 O ATOM 53 CB PRO A 4 -3.978 12.508 -5.525 1.00 0.00 C ATOM 54 CG PRO A 4 -4.320 13.079 -4.193 1.00 0.00 C ATOM 55 CD PRO A 4 -5.283 14.208 -4.456 1.00 0.00 C ATOM 0 HA PRO A 4 -5.073 12.776 -7.420 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -3.690 11.460 -5.445 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -3.139 13.035 -5.979 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -4.772 12.324 -3.550 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -3.427 13.440 -3.683 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -6.047 14.272 -3.681 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -4.774 15.171 -4.482 1.00 0.00 H new ATOM 63 N THR A 5 -6.116 10.578 -7.218 1.00 0.00 N ATOM 64 CA THR A 5 -6.927 9.367 -7.185 1.00 0.00 C ATOM 65 C THR A 5 -6.056 8.135 -7.370 1.00 0.00 C ATOM 66 O THR A 5 -5.651 7.812 -8.484 1.00 0.00 O ATOM 67 CB THR A 5 -8.016 9.410 -8.259 1.00 0.00 C ATOM 68 OG1 THR A 5 -8.577 10.708 -8.351 1.00 0.00 O ATOM 69 CG2 THR A 5 -9.146 8.438 -8.001 1.00 0.00 C ATOM 0 H THR A 5 -5.549 10.688 -8.058 1.00 0.00 H new ATOM 0 HA THR A 5 -7.409 9.311 -6.209 1.00 0.00 H new ATOM 0 HB THR A 5 -7.520 9.128 -9.188 1.00 0.00 H new ATOM 0 HG1 THR A 5 -9.270 10.716 -9.044 1.00 0.00 H new ATOM 0 HG21 THR A 5 -9.884 8.519 -8.799 1.00 0.00 H new ATOM 0 HG22 THR A 5 -8.752 7.422 -7.972 1.00 0.00 H new ATOM 0 HG23 THR A 5 -9.616 8.672 -7.046 1.00 0.00 H new ATOM 77 N ILE A 6 -5.750 7.456 -6.273 1.00 0.00 N ATOM 78 CA ILE A 6 -4.904 6.278 -6.335 1.00 0.00 C ATOM 79 C ILE A 6 -5.539 5.070 -5.651 1.00 0.00 C ATOM 80 O ILE A 6 -6.717 5.077 -5.298 1.00 0.00 O ATOM 81 CB ILE A 6 -3.526 6.561 -5.703 1.00 0.00 C ATOM 82 CG1 ILE A 6 -3.584 6.428 -4.179 1.00 0.00 C ATOM 83 CG2 ILE A 6 -3.045 7.953 -6.091 1.00 0.00 C ATOM 84 CD1 ILE A 6 -2.269 6.740 -3.496 1.00 0.00 C ATOM 0 H ILE A 6 -6.073 7.700 -5.337 1.00 0.00 H new ATOM 0 HA ILE A 6 -4.781 6.039 -7.391 1.00 0.00 H new ATOM 0 HB ILE A 6 -2.820 5.823 -6.083 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -4.353 7.097 -3.793 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -3.886 5.413 -3.922 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -2.071 8.141 -5.639 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -2.960 8.019 -7.176 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -3.759 8.697 -5.737 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -2.383 6.626 -2.418 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -1.501 6.054 -3.854 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.975 7.765 -3.723 1.00 0.00 H new ATOM 96 N ASN A 7 -4.727 4.031 -5.477 1.00 0.00 N ATOM 97 CA ASN A 7 -5.156 2.788 -4.846 1.00 0.00 C ATOM 98 C ASN A 7 -6.084 3.032 -3.669 1.00 0.00 C ATOM 99 O ASN A 7 -6.119 4.122 -3.097 1.00 0.00 O ATOM 100 CB ASN A 7 -3.927 2.015 -4.371 1.00 0.00 C ATOM 101 CG ASN A 7 -3.073 2.834 -3.419 1.00 0.00 C ATOM 102 OD1 ASN A 7 -3.123 2.649 -2.204 1.00 0.00 O ATOM 103 ND2 ASN A 7 -2.284 3.751 -3.969 1.00 0.00 N ATOM 0 H ASN A 7 -3.750 4.028 -5.771 1.00 0.00 H new ATOM 0 HA ASN A 7 -5.710 2.212 -5.588 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -4.245 1.098 -3.875 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -3.328 1.720 -5.233 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -1.690 4.333 -3.378 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -2.272 3.873 -4.982 1.00 0.00 H new ATOM 110 N PRO A 8 -6.858 2.001 -3.303 1.00 0.00 N ATOM 111 CA PRO A 8 -7.808 2.075 -2.200 1.00 0.00 C ATOM 112 C PRO A 8 -7.146 2.498 -0.892 1.00 0.00 C ATOM 113 O PRO A 8 -6.092 3.132 -0.897 1.00 0.00 O ATOM 114 CB PRO A 8 -8.372 0.650 -2.091 1.00 0.00 C ATOM 115 CG PRO A 8 -7.444 -0.200 -2.886 1.00 0.00 C ATOM 116 CD PRO A 8 -6.874 0.681 -3.950 1.00 0.00 C ATOM 0 HA PRO A 8 -8.577 2.825 -2.384 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -8.414 0.322 -1.052 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -9.388 0.598 -2.483 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -6.654 -0.608 -2.255 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -7.972 -1.047 -3.324 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -5.874 0.363 -4.246 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -7.489 0.679 -4.850 1.00 0.00 H new ATOM 124 N THR A 9 -7.772 2.152 0.226 1.00 0.00 N ATOM 125 CA THR A 9 -7.234 2.514 1.532 1.00 0.00 C ATOM 126 C THR A 9 -7.382 1.379 2.547 1.00 0.00 C ATOM 127 O THR A 9 -7.096 1.565 3.729 1.00 0.00 O ATOM 128 CB THR A 9 -7.938 3.772 2.050 1.00 0.00 C ATOM 129 OG1 THR A 9 -7.670 4.878 1.207 1.00 0.00 O ATOM 130 CG2 THR A 9 -7.529 4.158 3.455 1.00 0.00 C ATOM 0 H THR A 9 -8.645 1.626 0.256 1.00 0.00 H new ATOM 0 HA THR A 9 -6.168 2.709 1.410 1.00 0.00 H new ATOM 0 HB THR A 9 -8.999 3.524 2.056 1.00 0.00 H new ATOM 0 HG1 THR A 9 -8.129 5.672 1.553 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.067 5.057 3.756 1.00 0.00 H new ATOM 0 HG22 THR A 9 -7.769 3.345 4.140 1.00 0.00 H new ATOM 0 HG23 THR A 9 -6.456 4.350 3.482 1.00 0.00 H new ATOM 138 N SER A 10 -7.825 0.206 2.098 1.00 0.00 N ATOM 139 CA SER A 10 -7.997 -0.915 3.011 1.00 0.00 C ATOM 140 C SER A 10 -7.825 -2.266 2.316 1.00 0.00 C ATOM 141 O SER A 10 -8.410 -2.520 1.262 1.00 0.00 O ATOM 142 CB SER A 10 -9.376 -0.847 3.672 1.00 0.00 C ATOM 143 OG SER A 10 -9.321 -1.300 5.013 1.00 0.00 O ATOM 0 H SER A 10 -8.066 0.012 1.126 1.00 0.00 H new ATOM 0 HA SER A 10 -7.217 -0.834 3.768 1.00 0.00 H new ATOM 0 HB2 SER A 10 -9.745 0.178 3.646 1.00 0.00 H new ATOM 0 HB3 SER A 10 -10.084 -1.455 3.108 1.00 0.00 H new ATOM 0 HG SER A 10 -10.214 -1.245 5.414 1.00 0.00 H new ATOM 149 N ILE A 11 -7.027 -3.130 2.937 1.00 0.00 N ATOM 150 CA ILE A 11 -6.767 -4.473 2.423 1.00 0.00 C ATOM 151 C ILE A 11 -6.262 -5.380 3.546 1.00 0.00 C ATOM 152 O ILE A 11 -5.640 -4.910 4.499 1.00 0.00 O ATOM 153 CB ILE A 11 -5.745 -4.454 1.256 1.00 0.00 C ATOM 154 CG1 ILE A 11 -4.761 -5.627 1.359 1.00 0.00 C ATOM 155 CG2 ILE A 11 -4.997 -3.131 1.211 1.00 0.00 C ATOM 156 CD1 ILE A 11 -3.736 -5.655 0.244 1.00 0.00 C ATOM 0 H ILE A 11 -6.542 -2.920 3.810 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.707 -4.865 2.036 1.00 0.00 H new ATOM 0 HB ILE A 11 -6.303 -4.564 0.326 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.243 -5.574 2.317 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.321 -6.562 1.351 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.287 -3.143 0.384 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.707 -2.316 1.068 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -4.461 -2.984 2.148 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -3.074 -6.510 0.380 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -4.245 -5.740 -0.716 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -3.151 -4.736 0.265 1.00 0.00 H new ATOM 168 N SER A 12 -6.536 -6.678 3.437 1.00 0.00 N ATOM 169 CA SER A 12 -6.104 -7.632 4.459 1.00 0.00 C ATOM 170 C SER A 12 -5.811 -9.005 3.859 1.00 0.00 C ATOM 171 O SER A 12 -6.557 -9.499 3.015 1.00 0.00 O ATOM 172 CB SER A 12 -7.168 -7.764 5.549 1.00 0.00 C ATOM 173 OG SER A 12 -8.272 -6.914 5.291 1.00 0.00 O ATOM 0 H SER A 12 -7.050 -7.092 2.659 1.00 0.00 H new ATOM 0 HA SER A 12 -5.182 -7.247 4.895 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.507 -8.798 5.607 1.00 0.00 H new ATOM 0 HB3 SER A 12 -6.733 -7.517 6.517 1.00 0.00 H new ATOM 0 HG SER A 12 -8.939 -7.019 6.002 1.00 0.00 H new ATOM 179 N ALA A 13 -4.719 -9.614 4.309 1.00 0.00 N ATOM 180 CA ALA A 13 -4.314 -10.927 3.839 1.00 0.00 C ATOM 181 C ALA A 13 -3.164 -11.467 4.680 1.00 0.00 C ATOM 182 O ALA A 13 -2.499 -10.723 5.404 1.00 0.00 O ATOM 183 CB ALA A 13 -3.917 -10.862 2.371 1.00 0.00 C ATOM 0 H ALA A 13 -4.094 -9.210 5.007 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.160 -11.607 3.941 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.616 -11.853 2.031 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.766 -10.518 1.779 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.085 -10.168 2.249 1.00 0.00 H new ATOM 189 N LYS A 14 -2.919 -12.761 4.571 1.00 0.00 N ATOM 190 CA LYS A 14 -1.833 -13.393 5.306 1.00 0.00 C ATOM 191 C LYS A 14 -0.497 -12.945 4.722 1.00 0.00 C ATOM 192 O LYS A 14 -0.399 -12.669 3.528 1.00 0.00 O ATOM 193 CB LYS A 14 -1.960 -14.920 5.250 1.00 0.00 C ATOM 194 CG LYS A 14 -0.698 -15.655 5.670 1.00 0.00 C ATOM 195 CD LYS A 14 0.181 -15.973 4.475 1.00 0.00 C ATOM 196 CE LYS A 14 -0.396 -17.097 3.634 1.00 0.00 C ATOM 197 NZ LYS A 14 0.124 -17.079 2.241 1.00 0.00 N ATOM 0 H LYS A 14 -3.456 -13.396 3.981 1.00 0.00 H new ATOM 0 HA LYS A 14 -1.886 -13.090 6.352 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.782 -15.231 5.895 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.221 -15.217 4.234 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.141 -15.046 6.382 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -0.967 -16.579 6.182 1.00 0.00 H new ATOM 0 HD2 LYS A 14 0.295 -15.080 3.860 1.00 0.00 H new ATOM 0 HD3 LYS A 14 1.177 -16.252 4.820 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -0.157 -18.054 4.097 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.483 -17.014 3.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -0.101 -17.981 1.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.318 -16.298 1.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 1.155 -16.946 2.257 1.00 0.00 H new ATOM 211 N ALA A 15 0.525 -12.860 5.558 1.00 0.00 N ATOM 212 CA ALA A 15 1.828 -12.431 5.077 1.00 0.00 C ATOM 213 C ALA A 15 2.364 -13.404 4.055 1.00 0.00 C ATOM 214 O ALA A 15 2.822 -14.499 4.377 1.00 0.00 O ATOM 215 CB ALA A 15 2.814 -12.232 6.220 1.00 0.00 C ATOM 0 H ALA A 15 0.481 -13.077 6.554 1.00 0.00 H new ATOM 0 HA ALA A 15 1.701 -11.463 4.593 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.776 -11.912 5.819 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.433 -11.471 6.901 1.00 0.00 H new ATOM 0 HB3 ALA A 15 2.940 -13.171 6.759 1.00 0.00 H new ATOM 221 N GLY A 16 2.271 -12.981 2.811 1.00 0.00 N ATOM 222 CA GLY A 16 2.708 -13.788 1.704 1.00 0.00 C ATOM 223 C GLY A 16 1.631 -13.864 0.655 1.00 0.00 C ATOM 224 O GLY A 16 1.904 -13.822 -0.534 1.00 0.00 O ATOM 0 H GLY A 16 1.892 -12.072 2.546 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.616 -13.365 1.273 1.00 0.00 H new ATOM 0 HA3 GLY A 16 2.957 -14.790 2.052 1.00 0.00 H new ATOM 228 N SER A 17 0.385 -13.916 1.104 1.00 0.00 N ATOM 229 CA SER A 17 -0.733 -13.962 0.200 1.00 0.00 C ATOM 230 C SER A 17 -0.878 -12.632 -0.520 1.00 0.00 C ATOM 231 O SER A 17 -1.859 -12.384 -1.224 1.00 0.00 O ATOM 232 CB SER A 17 -1.994 -14.268 0.996 1.00 0.00 C ATOM 233 OG SER A 17 -1.735 -14.266 2.389 1.00 0.00 O ATOM 0 H SER A 17 0.133 -13.927 2.092 1.00 0.00 H new ATOM 0 HA SER A 17 -0.572 -14.740 -0.546 1.00 0.00 H new ATOM 0 HB2 SER A 17 -2.761 -13.529 0.765 1.00 0.00 H new ATOM 0 HB3 SER A 17 -2.388 -15.240 0.698 1.00 0.00 H new ATOM 0 HG SER A 17 -1.474 -13.365 2.672 1.00 0.00 H new ATOM 239 N PHE A 18 0.110 -11.778 -0.344 1.00 0.00 N ATOM 240 CA PHE A 18 0.115 -10.480 -0.953 1.00 0.00 C ATOM 241 C PHE A 18 0.971 -10.489 -2.203 1.00 0.00 C ATOM 242 O PHE A 18 2.088 -9.986 -2.203 1.00 0.00 O ATOM 243 CB PHE A 18 0.671 -9.483 0.036 1.00 0.00 C ATOM 244 CG PHE A 18 -0.212 -9.252 1.225 1.00 0.00 C ATOM 245 CD1 PHE A 18 -1.400 -8.551 1.105 1.00 0.00 C ATOM 246 CD2 PHE A 18 0.144 -9.747 2.467 1.00 0.00 C ATOM 247 CE1 PHE A 18 -2.213 -8.345 2.205 1.00 0.00 C ATOM 248 CE2 PHE A 18 -0.659 -9.546 3.569 1.00 0.00 C ATOM 249 CZ PHE A 18 -1.839 -8.844 3.439 1.00 0.00 C ATOM 0 H PHE A 18 0.931 -11.973 0.229 1.00 0.00 H new ATOM 0 HA PHE A 18 -0.902 -10.205 -1.231 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.644 -9.832 0.381 1.00 0.00 H new ATOM 0 HB3 PHE A 18 0.835 -8.533 -0.473 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -1.695 -8.161 0.142 1.00 0.00 H new ATOM 0 HD2 PHE A 18 1.066 -10.300 2.575 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -3.137 -7.796 2.100 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -0.365 -9.937 4.532 1.00 0.00 H new ATOM 0 HZ PHE A 18 -2.470 -8.684 4.300 1.00 0.00 H new ATOM 259 N ALA A 19 0.437 -11.064 -3.263 1.00 0.00 N ATOM 260 CA ALA A 19 1.169 -11.137 -4.519 1.00 0.00 C ATOM 261 C ALA A 19 1.320 -9.746 -5.120 1.00 0.00 C ATOM 262 O ALA A 19 0.560 -8.837 -4.788 1.00 0.00 O ATOM 263 CB ALA A 19 0.461 -12.066 -5.494 1.00 0.00 C ATOM 0 H ALA A 19 -0.492 -11.485 -3.284 1.00 0.00 H new ATOM 0 HA ALA A 19 2.162 -11.540 -4.322 1.00 0.00 H new ATOM 0 HB1 ALA A 19 1.022 -12.109 -6.428 1.00 0.00 H new ATOM 0 HB2 ALA A 19 0.397 -13.065 -5.063 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.543 -11.690 -5.691 1.00 0.00 H new ATOM 269 N ASP A 20 2.313 -9.581 -5.995 1.00 0.00 N ATOM 270 CA ASP A 20 2.569 -8.289 -6.630 1.00 0.00 C ATOM 271 C ASP A 20 1.262 -7.546 -6.871 1.00 0.00 C ATOM 272 O ASP A 20 0.425 -7.987 -7.658 1.00 0.00 O ATOM 273 CB ASP A 20 3.313 -8.487 -7.950 1.00 0.00 C ATOM 274 CG ASP A 20 3.780 -7.178 -8.554 1.00 0.00 C ATOM 275 OD1 ASP A 20 4.862 -6.694 -8.158 1.00 0.00 O ATOM 276 OD2 ASP A 20 3.066 -6.639 -9.425 1.00 0.00 O ATOM 0 H ASP A 20 2.951 -10.324 -6.279 1.00 0.00 H new ATOM 0 HA ASP A 20 3.190 -7.692 -5.962 1.00 0.00 H new ATOM 0 HB2 ASP A 20 4.174 -9.135 -7.785 1.00 0.00 H new ATOM 0 HB3 ASP A 20 2.661 -8.998 -8.658 1.00 0.00 H new ATOM 281 N THR A 21 1.076 -6.429 -6.171 1.00 0.00 N ATOM 282 CA THR A 21 -0.152 -5.658 -6.305 1.00 0.00 C ATOM 283 C THR A 21 0.073 -4.343 -7.042 1.00 0.00 C ATOM 284 O THR A 21 0.458 -3.343 -6.441 1.00 0.00 O ATOM 285 CB THR A 21 -0.755 -5.384 -4.929 1.00 0.00 C ATOM 286 OG1 THR A 21 -0.525 -6.473 -4.054 1.00 0.00 O ATOM 287 CG2 THR A 21 -2.248 -5.135 -4.968 1.00 0.00 C ATOM 0 H THR A 21 1.753 -6.043 -5.513 1.00 0.00 H new ATOM 0 HA THR A 21 -0.845 -6.255 -6.898 1.00 0.00 H new ATOM 0 HB THR A 21 -0.261 -4.480 -4.573 1.00 0.00 H new ATOM 0 HG1 THR A 21 -0.262 -7.261 -4.574 1.00 0.00 H new ATOM 0 HG21 THR A 21 -2.612 -4.947 -3.958 1.00 0.00 H new ATOM 0 HG22 THR A 21 -2.456 -4.268 -5.596 1.00 0.00 H new ATOM 0 HG23 THR A 21 -2.752 -6.010 -5.379 1.00 0.00 H new ATOM 295 N LYS A 22 -0.178 -4.350 -8.346 1.00 0.00 N ATOM 296 CA LYS A 22 -0.007 -3.153 -9.156 1.00 0.00 C ATOM 297 C LYS A 22 -1.077 -2.122 -8.825 1.00 0.00 C ATOM 298 O LYS A 22 -2.258 -2.318 -9.098 1.00 0.00 O ATOM 299 CB LYS A 22 -0.034 -3.474 -10.656 1.00 0.00 C ATOM 300 CG LYS A 22 -0.379 -4.918 -10.995 1.00 0.00 C ATOM 301 CD LYS A 22 0.765 -5.860 -10.668 1.00 0.00 C ATOM 302 CE LYS A 22 0.302 -7.307 -10.623 1.00 0.00 C ATOM 303 NZ LYS A 22 0.589 -8.021 -11.897 1.00 0.00 N ATOM 0 H LYS A 22 -0.499 -5.169 -8.862 1.00 0.00 H new ATOM 0 HA LYS A 22 0.973 -2.739 -8.918 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -0.758 -2.819 -11.140 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.942 -3.239 -11.081 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.268 -5.219 -10.441 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.622 -4.995 -12.055 1.00 0.00 H new ATOM 0 HD2 LYS A 22 1.551 -5.752 -11.415 1.00 0.00 H new ATOM 0 HD3 LYS A 22 1.199 -5.586 -9.706 1.00 0.00 H new ATOM 0 HE2 LYS A 22 0.797 -7.821 -9.799 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.769 -7.340 -10.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 0.258 -9.004 -11.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 0.096 -7.546 -12.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 1.613 -8.012 -12.077 1.00 0.00 H new ATOM 317 N ILE A 23 -0.638 -1.025 -8.225 1.00 0.00 N ATOM 318 CA ILE A 23 -1.522 0.049 -7.831 1.00 0.00 C ATOM 319 C ILE A 23 -1.602 1.125 -8.914 1.00 0.00 C ATOM 320 O ILE A 23 -0.683 1.273 -9.722 1.00 0.00 O ATOM 321 CB ILE A 23 -1.029 0.663 -6.512 1.00 0.00 C ATOM 322 CG1 ILE A 23 -1.683 -0.039 -5.324 1.00 0.00 C ATOM 323 CG2 ILE A 23 -1.283 2.163 -6.459 1.00 0.00 C ATOM 324 CD1 ILE A 23 -1.329 0.567 -3.987 1.00 0.00 C ATOM 0 H ILE A 23 0.343 -0.860 -8.000 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.522 -0.361 -7.692 1.00 0.00 H new ATOM 0 HB ILE A 23 0.050 0.515 -6.458 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.765 -0.012 -5.449 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -1.388 -1.088 -5.326 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -0.920 2.560 -5.511 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -0.758 2.650 -7.281 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.352 2.354 -6.547 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.831 0.015 -3.193 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -0.250 0.516 -3.839 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -1.650 1.609 -3.963 1.00 0.00 H new ATOM 336 N THR A 24 -2.700 1.874 -8.917 1.00 0.00 N ATOM 337 CA THR A 24 -2.899 2.938 -9.894 1.00 0.00 C ATOM 338 C THR A 24 -2.865 4.298 -9.210 1.00 0.00 C ATOM 339 O THR A 24 -3.657 4.566 -8.309 1.00 0.00 O ATOM 340 CB THR A 24 -4.229 2.751 -10.625 1.00 0.00 C ATOM 341 OG1 THR A 24 -4.418 1.392 -10.982 1.00 0.00 O ATOM 342 CG2 THR A 24 -4.338 3.576 -11.888 1.00 0.00 C ATOM 0 H THR A 24 -3.466 1.763 -8.253 1.00 0.00 H new ATOM 0 HA THR A 24 -2.090 2.891 -10.623 1.00 0.00 H new ATOM 0 HB THR A 24 -4.994 3.086 -9.924 1.00 0.00 H new ATOM 0 HG1 THR A 24 -3.675 1.096 -11.548 1.00 0.00 H new ATOM 0 HG21 THR A 24 -5.305 3.397 -12.357 1.00 0.00 H new ATOM 0 HG22 THR A 24 -4.245 4.634 -11.641 1.00 0.00 H new ATOM 0 HG23 THR A 24 -3.542 3.293 -12.577 1.00 0.00 H new ATOM 350 N LEU A 25 -1.931 5.146 -9.627 1.00 0.00 N ATOM 351 CA LEU A 25 -1.780 6.465 -9.039 1.00 0.00 C ATOM 352 C LEU A 25 -2.231 7.569 -9.993 1.00 0.00 C ATOM 353 O LEU A 25 -1.422 8.118 -10.738 1.00 0.00 O ATOM 354 CB LEU A 25 -0.318 6.671 -8.663 1.00 0.00 C ATOM 355 CG LEU A 25 -0.040 6.723 -7.164 1.00 0.00 C ATOM 356 CD1 LEU A 25 -0.282 5.361 -6.531 1.00 0.00 C ATOM 357 CD2 LEU A 25 1.376 7.188 -6.907 1.00 0.00 C ATOM 0 H LEU A 25 -1.267 4.939 -10.373 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.414 6.522 -8.154 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.271 5.864 -9.099 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.030 7.600 -9.115 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.724 7.438 -6.708 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.079 5.416 -5.461 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.319 5.066 -6.689 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.379 4.625 -6.988 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.559 7.220 -5.833 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.077 6.496 -7.374 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.514 8.184 -7.328 1.00 0.00 H new ATOM 369 N THR A 26 -3.520 7.906 -9.958 1.00 0.00 N ATOM 370 CA THR A 26 -4.051 8.961 -10.817 1.00 0.00 C ATOM 371 C THR A 26 -3.531 10.324 -10.364 1.00 0.00 C ATOM 372 O THR A 26 -3.914 10.825 -9.300 1.00 0.00 O ATOM 373 CB THR A 26 -5.579 8.958 -10.805 1.00 0.00 C ATOM 374 OG1 THR A 26 -6.078 7.633 -10.834 1.00 0.00 O ATOM 375 CG2 THR A 26 -6.188 9.704 -11.973 1.00 0.00 C ATOM 0 H THR A 26 -4.210 7.467 -9.349 1.00 0.00 H new ATOM 0 HA THR A 26 -3.713 8.769 -11.835 1.00 0.00 H new ATOM 0 HB THR A 26 -5.862 9.466 -9.883 1.00 0.00 H new ATOM 0 HG1 THR A 26 -6.120 7.279 -9.921 1.00 0.00 H new ATOM 0 HG21 THR A 26 -7.275 9.663 -11.904 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.862 10.744 -11.951 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.866 9.243 -12.907 1.00 0.00 H new ATOM 383 N PRO A 27 -2.636 10.929 -11.173 1.00 0.00 N ATOM 384 CA PRO A 27 -2.019 12.227 -10.889 1.00 0.00 C ATOM 385 C PRO A 27 -2.763 13.386 -11.522 1.00 0.00 C ATOM 386 O PRO A 27 -2.309 14.519 -11.456 1.00 0.00 O ATOM 387 CB PRO A 27 -0.679 12.060 -11.570 1.00 0.00 C ATOM 388 CG PRO A 27 -1.031 11.343 -12.824 1.00 0.00 C ATOM 389 CD PRO A 27 -2.135 10.384 -12.450 1.00 0.00 C ATOM 0 HA PRO A 27 -1.993 12.459 -9.824 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -0.206 13.021 -11.773 1.00 0.00 H new ATOM 0 HB3 PRO A 27 0.017 11.486 -10.958 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -1.362 12.040 -13.594 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -0.169 10.810 -13.226 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -2.917 10.354 -13.209 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -1.763 9.366 -12.335 1.00 0.00 H new ATOM 397 N ASN A 28 -3.879 13.058 -12.160 1.00 0.00 N ATOM 398 CA ASN A 28 -4.732 13.988 -12.874 1.00 0.00 C ATOM 399 C ASN A 28 -4.817 15.319 -12.160 1.00 0.00 C ATOM 400 O ASN A 28 -5.856 15.722 -11.640 1.00 0.00 O ATOM 401 CB ASN A 28 -6.134 13.398 -13.034 1.00 0.00 C ATOM 402 CG ASN A 28 -6.675 13.568 -14.439 1.00 0.00 C ATOM 403 OD1 ASN A 28 -7.190 14.628 -14.796 1.00 0.00 O ATOM 404 ND2 ASN A 28 -6.562 12.520 -15.248 1.00 0.00 N ATOM 0 H ASN A 28 -4.225 12.099 -12.193 1.00 0.00 H new ATOM 0 HA ASN A 28 -4.292 14.156 -13.857 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -6.110 12.338 -12.783 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -6.810 13.878 -12.327 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -6.909 12.575 -16.206 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -6.128 11.660 -14.911 1.00 0.00 H new ATOM 411 N GLY A 29 -3.687 15.974 -12.161 1.00 0.00 N ATOM 412 CA GLY A 29 -3.550 17.276 -11.532 1.00 0.00 C ATOM 413 C GLY A 29 -2.645 17.243 -10.317 1.00 0.00 C ATOM 414 O GLY A 29 -2.045 18.252 -9.949 1.00 0.00 O ATOM 0 H GLY A 29 -2.832 15.627 -12.595 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -3.153 17.986 -12.257 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -4.535 17.639 -11.237 1.00 0.00 H new ATOM 418 N ASN A 30 -2.551 16.075 -9.700 1.00 0.00 N ATOM 419 CA ASN A 30 -1.725 15.879 -8.520 1.00 0.00 C ATOM 420 C ASN A 30 -0.509 15.017 -8.846 1.00 0.00 C ATOM 421 O ASN A 30 -0.449 14.382 -9.898 1.00 0.00 O ATOM 422 CB ASN A 30 -2.547 15.226 -7.410 1.00 0.00 C ATOM 423 CG ASN A 30 -4.041 15.302 -7.668 1.00 0.00 C ATOM 424 OD1 ASN A 30 -4.752 16.077 -7.030 1.00 0.00 O ATOM 425 ND2 ASN A 30 -4.524 14.501 -8.610 1.00 0.00 N ATOM 0 H ASN A 30 -3.046 15.236 -10.004 1.00 0.00 H new ATOM 0 HA ASN A 30 -1.374 16.853 -8.180 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -2.252 14.181 -7.311 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -2.321 15.712 -6.461 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -5.520 14.513 -8.828 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -3.899 13.873 -9.115 1.00 0.00 H new ATOM 432 N THR A 31 0.453 14.997 -7.934 1.00 0.00 N ATOM 433 CA THR A 31 1.666 14.213 -8.119 1.00 0.00 C ATOM 434 C THR A 31 1.931 13.329 -6.906 1.00 0.00 C ATOM 435 O THR A 31 1.362 13.537 -5.834 1.00 0.00 O ATOM 436 CB THR A 31 2.860 15.136 -8.364 1.00 0.00 C ATOM 437 OG1 THR A 31 4.072 14.401 -8.353 1.00 0.00 O ATOM 438 CG2 THR A 31 2.984 16.241 -7.335 1.00 0.00 C ATOM 0 H THR A 31 0.417 15.516 -7.057 1.00 0.00 H new ATOM 0 HA THR A 31 1.527 13.572 -8.989 1.00 0.00 H new ATOM 0 HB THR A 31 2.680 15.588 -9.339 1.00 0.00 H new ATOM 0 HG1 THR A 31 4.824 15.008 -8.513 1.00 0.00 H new ATOM 0 HG21 THR A 31 3.851 16.859 -7.568 1.00 0.00 H new ATOM 0 HG22 THR A 31 2.085 16.857 -7.352 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.106 15.803 -6.344 1.00 0.00 H new ATOM 446 N PHE A 32 2.798 12.339 -7.085 1.00 0.00 N ATOM 447 CA PHE A 32 3.142 11.416 -6.007 1.00 0.00 C ATOM 448 C PHE A 32 4.603 11.568 -5.599 1.00 0.00 C ATOM 449 O PHE A 32 5.467 11.842 -6.433 1.00 0.00 O ATOM 450 CB PHE A 32 2.871 9.973 -6.441 1.00 0.00 C ATOM 451 CG PHE A 32 3.267 8.949 -5.413 1.00 0.00 C ATOM 452 CD1 PHE A 32 2.997 9.154 -4.072 1.00 0.00 C ATOM 453 CD2 PHE A 32 3.909 7.781 -5.793 1.00 0.00 C ATOM 454 CE1 PHE A 32 3.358 8.214 -3.129 1.00 0.00 C ATOM 455 CE2 PHE A 32 4.271 6.836 -4.854 1.00 0.00 C ATOM 456 CZ PHE A 32 3.995 7.054 -3.520 1.00 0.00 C ATOM 0 H PHE A 32 3.276 12.154 -7.967 1.00 0.00 H new ATOM 0 HA PHE A 32 2.519 11.657 -5.146 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.809 9.862 -6.661 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.411 9.774 -7.367 1.00 0.00 H new ATOM 0 HD1 PHE A 32 2.498 10.060 -3.760 1.00 0.00 H new ATOM 0 HD2 PHE A 32 4.129 7.608 -6.836 1.00 0.00 H new ATOM 0 HE1 PHE A 32 3.142 8.386 -2.085 1.00 0.00 H new ATOM 0 HE2 PHE A 32 4.769 5.929 -5.163 1.00 0.00 H new ATOM 0 HZ PHE A 32 4.277 6.317 -2.782 1.00 0.00 H new ATOM 466 N ASN A 33 4.868 11.387 -4.311 1.00 0.00 N ATOM 467 CA ASN A 33 6.222 11.499 -3.783 1.00 0.00 C ATOM 468 C ASN A 33 6.751 10.133 -3.352 1.00 0.00 C ATOM 469 O ASN A 33 7.844 9.733 -3.746 1.00 0.00 O ATOM 470 CB ASN A 33 6.253 12.468 -2.598 1.00 0.00 C ATOM 471 CG ASN A 33 7.566 13.221 -2.503 1.00 0.00 C ATOM 472 OD1 ASN A 33 8.642 12.627 -2.567 1.00 0.00 O ATOM 473 ND2 ASN A 33 7.484 14.539 -2.352 1.00 0.00 N ATOM 0 H ASN A 33 4.161 11.161 -3.611 1.00 0.00 H new ATOM 0 HA ASN A 33 6.864 11.885 -4.575 1.00 0.00 H new ATOM 0 HB2 ASN A 33 5.434 13.181 -2.693 1.00 0.00 H new ATOM 0 HB3 ASN A 33 6.087 11.914 -1.674 1.00 0.00 H new ATOM 0 HD21 ASN A 33 8.334 15.098 -2.284 1.00 0.00 H new ATOM 0 HD22 ASN A 33 6.571 14.991 -2.304 1.00 0.00 H new ATOM 480 N GLY A 34 5.971 9.423 -2.539 1.00 0.00 N ATOM 481 CA GLY A 34 6.392 8.110 -2.081 1.00 0.00 C ATOM 482 C GLY A 34 5.799 7.723 -0.739 1.00 0.00 C ATOM 483 O GLY A 34 5.533 8.578 0.103 1.00 0.00 O ATOM 0 H GLY A 34 5.063 9.731 -2.192 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.107 7.365 -2.824 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.479 8.089 -2.009 1.00 0.00 H new ATOM 487 N ILE A 35 5.585 6.420 -0.550 1.00 0.00 N ATOM 488 CA ILE A 35 5.034 5.889 0.665 1.00 0.00 C ATOM 489 C ILE A 35 6.162 5.451 1.608 1.00 0.00 C ATOM 490 O ILE A 35 6.572 4.287 1.657 1.00 0.00 O ATOM 491 CB ILE A 35 4.081 4.743 0.309 1.00 0.00 C ATOM 492 CG1 ILE A 35 4.050 3.656 1.364 1.00 0.00 C ATOM 493 CG2 ILE A 35 4.423 4.140 -1.030 1.00 0.00 C ATOM 494 CD1 ILE A 35 3.843 4.170 2.758 1.00 0.00 C ATOM 0 H ILE A 35 5.796 5.710 -1.251 1.00 0.00 H new ATOM 0 HA ILE A 35 4.464 6.650 1.197 1.00 0.00 H new ATOM 0 HB ILE A 35 3.087 5.187 0.260 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.253 2.953 1.124 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.987 3.100 1.327 1.00 0.00 H new ATOM 0 HG21 ILE A 35 3.728 3.330 -1.252 1.00 0.00 H new ATOM 0 HG22 ILE A 35 4.348 4.905 -1.803 1.00 0.00 H new ATOM 0 HG23 ILE A 35 5.440 3.749 -1.004 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.832 3.333 3.456 1.00 0.00 H new ATOM 0 HD12 ILE A 35 4.654 4.850 3.019 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.892 4.700 2.813 1.00 0.00 H new ATOM 506 N SER A 36 6.662 6.430 2.345 1.00 0.00 N ATOM 507 CA SER A 36 7.769 6.231 3.287 1.00 0.00 C ATOM 508 C SER A 36 7.393 5.284 4.398 1.00 0.00 C ATOM 509 O SER A 36 8.260 4.628 4.977 1.00 0.00 O ATOM 510 CB SER A 36 8.228 7.570 3.867 1.00 0.00 C ATOM 511 OG SER A 36 7.415 7.956 4.963 1.00 0.00 O ATOM 0 H SER A 36 6.316 7.389 2.312 1.00 0.00 H new ATOM 0 HA SER A 36 8.593 5.783 2.732 1.00 0.00 H new ATOM 0 HB2 SER A 36 9.266 7.494 4.189 1.00 0.00 H new ATOM 0 HB3 SER A 36 8.190 8.337 3.094 1.00 0.00 H new ATOM 0 HG SER A 36 7.729 8.814 5.317 1.00 0.00 H new ATOM 517 N GLU A 37 6.105 5.171 4.674 1.00 0.00 N ATOM 518 CA GLU A 37 5.649 4.253 5.685 1.00 0.00 C ATOM 519 C GLU A 37 6.391 2.937 5.484 1.00 0.00 C ATOM 520 O GLU A 37 6.722 2.234 6.438 1.00 0.00 O ATOM 521 CB GLU A 37 4.147 4.071 5.539 1.00 0.00 C ATOM 522 CG GLU A 37 3.386 3.986 6.845 1.00 0.00 C ATOM 523 CD GLU A 37 2.034 4.658 6.740 1.00 0.00 C ATOM 524 OE1 GLU A 37 1.508 4.748 5.605 1.00 0.00 O ATOM 525 OE2 GLU A 37 1.500 5.092 7.782 1.00 0.00 O ATOM 0 H GLU A 37 5.367 5.702 4.212 1.00 0.00 H new ATOM 0 HA GLU A 37 5.848 4.626 6.690 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.750 4.903 4.957 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.960 3.163 4.966 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.254 2.941 7.124 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.967 4.456 7.638 1.00 0.00 H new ATOM 532 N LEU A 38 6.687 2.649 4.209 1.00 0.00 N ATOM 533 CA LEU A 38 7.431 1.468 3.830 1.00 0.00 C ATOM 534 C LEU A 38 8.399 1.827 2.701 1.00 0.00 C ATOM 535 O LEU A 38 8.009 1.943 1.540 1.00 0.00 O ATOM 536 CB LEU A 38 6.489 0.339 3.400 1.00 0.00 C ATOM 537 CG LEU A 38 5.016 0.543 3.762 1.00 0.00 C ATOM 538 CD1 LEU A 38 4.166 -0.557 3.157 1.00 0.00 C ATOM 539 CD2 LEU A 38 4.845 0.580 5.273 1.00 0.00 C ATOM 0 H LEU A 38 6.412 3.236 3.421 1.00 0.00 H new ATOM 0 HA LEU A 38 7.996 1.110 4.691 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.567 0.215 2.320 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.832 -0.591 3.853 1.00 0.00 H new ATOM 0 HG LEU A 38 4.685 1.498 3.353 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.121 -0.398 3.424 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.270 -0.542 2.072 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.495 -1.523 3.540 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.793 0.726 5.517 1.00 0.00 H new ATOM 0 HD22 LEU A 38 5.190 -0.361 5.701 1.00 0.00 H new ATOM 0 HD23 LEU A 38 5.430 1.402 5.685 1.00 0.00 H new ATOM 551 N GLN A 39 9.658 2.044 3.080 1.00 0.00 N ATOM 552 CA GLN A 39 10.715 2.439 2.175 1.00 0.00 C ATOM 553 C GLN A 39 10.489 1.889 0.792 1.00 0.00 C ATOM 554 O GLN A 39 10.839 0.756 0.463 1.00 0.00 O ATOM 555 CB GLN A 39 12.071 1.972 2.707 1.00 0.00 C ATOM 556 CG GLN A 39 12.388 2.488 4.101 1.00 0.00 C ATOM 557 CD GLN A 39 12.846 1.388 5.039 1.00 0.00 C ATOM 558 OE1 GLN A 39 14.044 1.203 5.260 1.00 0.00 O ATOM 559 NE2 GLN A 39 11.892 0.651 5.597 1.00 0.00 N ATOM 0 H GLN A 39 9.969 1.946 4.046 1.00 0.00 H new ATOM 0 HA GLN A 39 10.709 3.527 2.112 1.00 0.00 H new ATOM 0 HB2 GLN A 39 12.092 0.882 2.719 1.00 0.00 H new ATOM 0 HB3 GLN A 39 12.853 2.298 2.021 1.00 0.00 H new ATOM 0 HG2 GLN A 39 13.164 3.250 4.035 1.00 0.00 H new ATOM 0 HG3 GLN A 39 11.503 2.970 4.516 1.00 0.00 H new ATOM 0 HE21 GLN A 39 10.912 0.840 5.385 1.00 0.00 H new ATOM 0 HE22 GLN A 39 12.139 -0.104 6.237 1.00 0.00 H new ATOM 568 N SER A 40 9.877 2.764 0.026 1.00 0.00 N ATOM 569 CA SER A 40 9.503 2.556 -1.373 1.00 0.00 C ATOM 570 C SER A 40 10.045 1.260 -1.960 1.00 0.00 C ATOM 571 O SER A 40 9.350 0.571 -2.701 1.00 0.00 O ATOM 572 CB SER A 40 9.983 3.737 -2.218 1.00 0.00 C ATOM 573 OG SER A 40 10.063 3.387 -3.589 1.00 0.00 O ATOM 0 H SER A 40 9.610 3.687 0.369 1.00 0.00 H new ATOM 0 HA SER A 40 8.416 2.482 -1.394 1.00 0.00 H new ATOM 0 HB2 SER A 40 9.300 4.578 -2.094 1.00 0.00 H new ATOM 0 HB3 SER A 40 10.961 4.066 -1.866 1.00 0.00 H new ATOM 0 HG SER A 40 9.169 3.160 -3.921 1.00 0.00 H new ATOM 579 N SER A 41 11.282 0.938 -1.634 1.00 0.00 N ATOM 580 CA SER A 41 11.902 -0.277 -2.138 1.00 0.00 C ATOM 581 C SER A 41 10.977 -1.481 -1.948 1.00 0.00 C ATOM 582 O SER A 41 11.102 -2.487 -2.645 1.00 0.00 O ATOM 583 CB SER A 41 13.242 -0.520 -1.440 1.00 0.00 C ATOM 584 OG SER A 41 13.390 -1.879 -1.062 1.00 0.00 O ATOM 0 H SER A 41 11.878 1.498 -1.024 1.00 0.00 H new ATOM 0 HA SER A 41 12.081 -0.150 -3.206 1.00 0.00 H new ATOM 0 HB2 SER A 41 14.057 -0.235 -2.105 1.00 0.00 H new ATOM 0 HB3 SER A 41 13.314 0.115 -0.557 1.00 0.00 H new ATOM 0 HG SER A 41 14.256 -2.003 -0.620 1.00 0.00 H new ATOM 590 N GLN A 42 10.049 -1.369 -1.001 1.00 0.00 N ATOM 591 CA GLN A 42 9.102 -2.435 -0.720 1.00 0.00 C ATOM 592 C GLN A 42 8.234 -2.730 -1.937 1.00 0.00 C ATOM 593 O GLN A 42 7.800 -3.861 -2.162 1.00 0.00 O ATOM 594 CB GLN A 42 8.251 -2.024 0.481 1.00 0.00 C ATOM 595 CG GLN A 42 6.835 -1.563 0.162 1.00 0.00 C ATOM 596 CD GLN A 42 5.785 -2.592 0.537 1.00 0.00 C ATOM 597 OE1 GLN A 42 4.979 -2.371 1.439 1.00 0.00 O ATOM 598 NE2 GLN A 42 5.791 -3.728 -0.147 1.00 0.00 N ATOM 0 H GLN A 42 9.936 -0.543 -0.414 1.00 0.00 H new ATOM 0 HA GLN A 42 9.641 -3.353 -0.486 1.00 0.00 H new ATOM 0 HB2 GLN A 42 8.192 -2.869 1.167 1.00 0.00 H new ATOM 0 HB3 GLN A 42 8.765 -1.220 1.009 1.00 0.00 H new ATOM 0 HG2 GLN A 42 6.632 -0.633 0.693 1.00 0.00 H new ATOM 0 HG3 GLN A 42 6.760 -1.345 -0.903 1.00 0.00 H new ATOM 0 HE21 GLN A 42 6.476 -3.873 -0.888 1.00 0.00 H new ATOM 0 HE22 GLN A 42 5.110 -4.457 0.068 1.00 0.00 H new ATOM 607 N TYR A 43 7.990 -1.690 -2.703 1.00 0.00 N ATOM 608 CA TYR A 43 7.176 -1.782 -3.909 1.00 0.00 C ATOM 609 C TYR A 43 7.950 -1.320 -5.133 1.00 0.00 C ATOM 610 O TYR A 43 9.168 -1.147 -5.096 1.00 0.00 O ATOM 611 CB TYR A 43 5.893 -0.962 -3.744 1.00 0.00 C ATOM 612 CG TYR A 43 6.135 0.490 -3.432 1.00 0.00 C ATOM 613 CD1 TYR A 43 6.339 1.416 -4.446 1.00 0.00 C ATOM 614 CD2 TYR A 43 6.150 0.938 -2.122 1.00 0.00 C ATOM 615 CE1 TYR A 43 6.554 2.752 -4.161 1.00 0.00 C ATOM 616 CE2 TYR A 43 6.365 2.267 -1.828 1.00 0.00 C ATOM 617 CZ TYR A 43 6.567 3.172 -2.849 1.00 0.00 C ATOM 618 OH TYR A 43 6.778 4.505 -2.556 1.00 0.00 O ATOM 0 H TYR A 43 8.347 -0.754 -2.513 1.00 0.00 H new ATOM 0 HA TYR A 43 6.910 -2.828 -4.059 1.00 0.00 H new ATOM 0 HB2 TYR A 43 5.307 -1.034 -4.660 1.00 0.00 H new ATOM 0 HB3 TYR A 43 5.293 -1.400 -2.946 1.00 0.00 H new ATOM 0 HD1 TYR A 43 6.330 1.087 -5.475 1.00 0.00 H new ATOM 0 HD2 TYR A 43 5.991 0.235 -1.318 1.00 0.00 H new ATOM 0 HE1 TYR A 43 6.711 3.461 -4.961 1.00 0.00 H new ATOM 0 HE2 TYR A 43 6.375 2.599 -0.800 1.00 0.00 H new ATOM 0 HH TYR A 43 6.177 5.058 -3.098 1.00 0.00 H new ATOM 628 N THR A 44 7.219 -1.125 -6.211 1.00 0.00 N ATOM 629 CA THR A 44 7.781 -0.689 -7.473 1.00 0.00 C ATOM 630 C THR A 44 6.927 0.422 -8.049 1.00 0.00 C ATOM 631 O THR A 44 5.938 0.180 -8.742 1.00 0.00 O ATOM 632 CB THR A 44 7.866 -1.855 -8.458 1.00 0.00 C ATOM 633 OG1 THR A 44 8.601 -2.930 -7.901 1.00 0.00 O ATOM 634 CG2 THR A 44 8.519 -1.481 -9.771 1.00 0.00 C ATOM 0 H THR A 44 6.209 -1.266 -6.236 1.00 0.00 H new ATOM 0 HA THR A 44 8.791 -0.317 -7.300 1.00 0.00 H new ATOM 0 HB THR A 44 6.834 -2.144 -8.654 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.643 -3.667 -8.546 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.548 -2.353 -10.424 1.00 0.00 H new ATOM 0 HG22 THR A 44 7.945 -0.688 -10.250 1.00 0.00 H new ATOM 0 HG23 THR A 44 9.535 -1.133 -9.586 1.00 0.00 H new ATOM 642 N LYS A 45 7.314 1.642 -7.731 1.00 0.00 N ATOM 643 CA LYS A 45 6.599 2.826 -8.184 1.00 0.00 C ATOM 644 C LYS A 45 6.758 3.019 -9.687 1.00 0.00 C ATOM 645 O LYS A 45 7.650 2.447 -10.312 1.00 0.00 O ATOM 646 CB LYS A 45 7.097 4.083 -7.459 1.00 0.00 C ATOM 647 CG LYS A 45 8.382 3.896 -6.663 1.00 0.00 C ATOM 648 CD LYS A 45 8.820 5.195 -6.004 1.00 0.00 C ATOM 649 CE LYS A 45 9.597 6.076 -6.970 1.00 0.00 C ATOM 650 NZ LYS A 45 8.891 7.357 -7.243 1.00 0.00 N ATOM 0 H LYS A 45 8.130 1.843 -7.153 1.00 0.00 H new ATOM 0 HA LYS A 45 5.545 2.674 -7.952 1.00 0.00 H new ATOM 0 HB2 LYS A 45 7.254 4.871 -8.195 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.315 4.429 -6.783 1.00 0.00 H new ATOM 0 HG2 LYS A 45 8.232 3.132 -5.900 1.00 0.00 H new ATOM 0 HG3 LYS A 45 9.172 3.537 -7.323 1.00 0.00 H new ATOM 0 HD2 LYS A 45 7.944 5.734 -5.642 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.439 4.973 -5.135 1.00 0.00 H new ATOM 0 HE2 LYS A 45 10.583 6.286 -6.557 1.00 0.00 H new ATOM 0 HE3 LYS A 45 9.751 5.540 -7.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 9.453 7.929 -7.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 7.960 7.158 -7.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 8.766 7.881 -6.353 1.00 0.00 H new ATOM 664 N GLY A 46 5.882 3.838 -10.256 1.00 0.00 N ATOM 665 CA GLY A 46 5.923 4.111 -11.678 1.00 0.00 C ATOM 666 C GLY A 46 5.101 5.329 -12.046 1.00 0.00 C ATOM 667 O GLY A 46 3.992 5.198 -12.562 1.00 0.00 O ATOM 0 H GLY A 46 5.138 4.321 -9.752 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.957 4.264 -11.988 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.551 3.244 -12.224 1.00 0.00 H new ATOM 671 N THR A 47 5.653 6.514 -11.767 1.00 0.00 N ATOM 672 CA THR A 47 4.986 7.791 -12.059 1.00 0.00 C ATOM 673 C THR A 47 3.532 7.597 -12.476 1.00 0.00 C ATOM 674 O THR A 47 3.250 7.172 -13.597 1.00 0.00 O ATOM 675 CB THR A 47 5.744 8.536 -13.158 1.00 0.00 C ATOM 676 OG1 THR A 47 5.229 9.848 -13.321 1.00 0.00 O ATOM 677 CG2 THR A 47 5.677 7.847 -14.505 1.00 0.00 C ATOM 0 H THR A 47 6.571 6.617 -11.334 1.00 0.00 H new ATOM 0 HA THR A 47 4.991 8.379 -11.141 1.00 0.00 H new ATOM 0 HB THR A 47 6.783 8.556 -12.830 1.00 0.00 H new ATOM 0 HG1 THR A 47 4.271 9.851 -13.115 1.00 0.00 H new ATOM 0 HG21 THR A 47 6.235 8.428 -15.239 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.111 6.850 -14.426 1.00 0.00 H new ATOM 0 HG23 THR A 47 4.637 7.766 -14.821 1.00 0.00 H new ATOM 685 N ASN A 48 2.614 7.908 -11.562 1.00 0.00 N ATOM 686 CA ASN A 48 1.183 7.765 -11.818 1.00 0.00 C ATOM 687 C ASN A 48 0.711 6.357 -11.470 1.00 0.00 C ATOM 688 O ASN A 48 -0.482 6.071 -11.479 1.00 0.00 O ATOM 689 CB ASN A 48 0.845 8.087 -13.276 1.00 0.00 C ATOM 690 CG ASN A 48 1.600 9.297 -13.794 1.00 0.00 C ATOM 691 OD1 ASN A 48 2.343 9.943 -13.054 1.00 0.00 O ATOM 692 ND2 ASN A 48 1.413 9.611 -15.071 1.00 0.00 N ATOM 0 H ASN A 48 2.839 8.263 -10.632 1.00 0.00 H new ATOM 0 HA ASN A 48 0.661 8.479 -11.181 1.00 0.00 H new ATOM 0 HB2 ASN A 48 1.078 7.223 -13.899 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -0.227 8.265 -13.366 1.00 0.00 H new ATOM 0 HD21 ASN A 48 1.894 10.415 -15.474 1.00 0.00 H new ATOM 0 HD22 ASN A 48 0.788 9.048 -15.648 1.00 0.00 H new ATOM 699 N GLU A 49 1.661 5.478 -11.165 1.00 0.00 N ATOM 700 CA GLU A 49 1.339 4.101 -10.812 1.00 0.00 C ATOM 701 C GLU A 49 2.390 3.524 -9.881 1.00 0.00 C ATOM 702 O GLU A 49 3.454 4.102 -9.692 1.00 0.00 O ATOM 703 CB GLU A 49 1.244 3.239 -12.069 1.00 0.00 C ATOM 704 CG GLU A 49 -0.166 3.099 -12.608 1.00 0.00 C ATOM 705 CD GLU A 49 -0.711 1.694 -12.450 1.00 0.00 C ATOM 706 OE1 GLU A 49 0.095 0.754 -12.310 1.00 0.00 O ATOM 707 OE2 GLU A 49 -1.951 1.533 -12.464 1.00 0.00 O ATOM 0 H GLU A 49 2.658 5.695 -11.155 1.00 0.00 H new ATOM 0 HA GLU A 49 0.376 4.101 -10.301 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.878 3.671 -12.843 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.639 2.247 -11.849 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.821 3.800 -12.090 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -0.177 3.373 -13.663 1.00 0.00 H new ATOM 714 N VAL A 50 2.079 2.370 -9.303 1.00 0.00 N ATOM 715 CA VAL A 50 2.995 1.697 -8.391 1.00 0.00 C ATOM 716 C VAL A 50 2.671 0.214 -8.329 1.00 0.00 C ATOM 717 O VAL A 50 1.623 -0.200 -8.803 1.00 0.00 O ATOM 718 CB VAL A 50 2.919 2.297 -6.972 1.00 0.00 C ATOM 719 CG1 VAL A 50 3.929 1.641 -6.047 1.00 0.00 C ATOM 720 CG2 VAL A 50 3.136 3.802 -7.021 1.00 0.00 C ATOM 0 H VAL A 50 1.197 1.880 -9.450 1.00 0.00 H new ATOM 0 HA VAL A 50 4.007 1.839 -8.771 1.00 0.00 H new ATOM 0 HB VAL A 50 1.923 2.102 -6.574 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.853 2.083 -5.054 1.00 0.00 H new ATOM 0 HG12 VAL A 50 3.725 0.572 -5.985 1.00 0.00 H new ATOM 0 HG13 VAL A 50 4.935 1.796 -6.438 1.00 0.00 H new ATOM 0 HG21 VAL A 50 3.079 4.211 -6.012 1.00 0.00 H new ATOM 0 HG22 VAL A 50 4.118 4.014 -7.444 1.00 0.00 H new ATOM 0 HG23 VAL A 50 2.366 4.261 -7.642 1.00 0.00 H new ATOM 730 N THR A 51 3.575 -0.576 -7.773 1.00 0.00 N ATOM 731 CA THR A 51 3.351 -2.013 -7.682 1.00 0.00 C ATOM 732 C THR A 51 3.908 -2.593 -6.382 1.00 0.00 C ATOM 733 O THR A 51 5.115 -2.594 -6.159 1.00 0.00 O ATOM 734 CB THR A 51 3.990 -2.713 -8.880 1.00 0.00 C ATOM 735 OG1 THR A 51 3.287 -2.406 -10.071 1.00 0.00 O ATOM 736 CG2 THR A 51 4.033 -4.221 -8.749 1.00 0.00 C ATOM 0 H THR A 51 4.460 -0.254 -7.382 1.00 0.00 H new ATOM 0 HA THR A 51 2.274 -2.184 -7.686 1.00 0.00 H new ATOM 0 HB THR A 51 5.014 -2.342 -8.915 1.00 0.00 H new ATOM 0 HG1 THR A 51 3.711 -2.861 -10.828 1.00 0.00 H new ATOM 0 HG21 THR A 51 4.500 -4.650 -9.636 1.00 0.00 H new ATOM 0 HG22 THR A 51 4.612 -4.493 -7.867 1.00 0.00 H new ATOM 0 HG23 THR A 51 3.018 -4.607 -8.650 1.00 0.00 H new ATOM 744 N LEU A 52 3.019 -3.116 -5.540 1.00 0.00 N ATOM 745 CA LEU A 52 3.436 -3.725 -4.279 1.00 0.00 C ATOM 746 C LEU A 52 4.184 -5.007 -4.573 1.00 0.00 C ATOM 747 O LEU A 52 3.769 -5.781 -5.434 1.00 0.00 O ATOM 748 CB LEU A 52 2.229 -4.047 -3.394 1.00 0.00 C ATOM 749 CG LEU A 52 2.106 -3.206 -2.132 1.00 0.00 C ATOM 750 CD1 LEU A 52 0.750 -3.415 -1.478 1.00 0.00 C ATOM 751 CD2 LEU A 52 3.229 -3.537 -1.159 1.00 0.00 C ATOM 0 H LEU A 52 2.013 -3.131 -5.706 1.00 0.00 H new ATOM 0 HA LEU A 52 4.075 -3.018 -3.750 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.322 -3.921 -3.985 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.279 -5.097 -3.107 1.00 0.00 H new ATOM 0 HG LEU A 52 2.191 -2.155 -2.410 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.682 -2.805 -0.577 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.038 -3.125 -2.173 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.632 -4.466 -1.214 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.125 -2.926 -0.262 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.177 -4.591 -0.888 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.190 -3.331 -1.629 1.00 0.00 H new ATOM 763 N LEU A 53 5.289 -5.237 -3.879 1.00 0.00 N ATOM 764 CA LEU A 53 6.056 -6.439 -4.129 1.00 0.00 C ATOM 765 C LEU A 53 5.833 -7.493 -3.047 1.00 0.00 C ATOM 766 O LEU A 53 6.316 -7.369 -1.923 1.00 0.00 O ATOM 767 CB LEU A 53 7.544 -6.114 -4.256 1.00 0.00 C ATOM 768 CG LEU A 53 8.156 -6.406 -5.629 1.00 0.00 C ATOM 769 CD1 LEU A 53 9.320 -5.469 -5.905 1.00 0.00 C ATOM 770 CD2 LEU A 53 8.604 -7.857 -5.712 1.00 0.00 C ATOM 0 H LEU A 53 5.664 -4.622 -3.157 1.00 0.00 H new ATOM 0 HA LEU A 53 5.704 -6.856 -5.073 1.00 0.00 H new ATOM 0 HB2 LEU A 53 7.691 -5.059 -4.027 1.00 0.00 H new ATOM 0 HB3 LEU A 53 8.090 -6.683 -3.503 1.00 0.00 H new ATOM 0 HG LEU A 53 7.394 -6.237 -6.390 1.00 0.00 H new ATOM 0 HD11 LEU A 53 9.742 -5.692 -6.885 1.00 0.00 H new ATOM 0 HD12 LEU A 53 8.969 -4.437 -5.887 1.00 0.00 H new ATOM 0 HD13 LEU A 53 10.086 -5.605 -5.141 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.037 -8.049 -6.694 1.00 0.00 H new ATOM 0 HD22 LEU A 53 9.351 -8.052 -4.942 1.00 0.00 H new ATOM 0 HD23 LEU A 53 7.746 -8.512 -5.560 1.00 0.00 H new ATOM 782 N ALA A 54 5.111 -8.542 -3.416 1.00 0.00 N ATOM 783 CA ALA A 54 4.810 -9.643 -2.509 1.00 0.00 C ATOM 784 C ALA A 54 6.021 -10.065 -1.680 1.00 0.00 C ATOM 785 O ALA A 54 5.880 -10.790 -0.698 1.00 0.00 O ATOM 786 CB ALA A 54 4.289 -10.834 -3.300 1.00 0.00 C ATOM 0 H ALA A 54 4.718 -8.655 -4.350 1.00 0.00 H new ATOM 0 HA ALA A 54 4.048 -9.291 -1.814 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.066 -11.654 -2.618 1.00 0.00 H new ATOM 0 HB2 ALA A 54 3.382 -10.548 -3.833 1.00 0.00 H new ATOM 0 HB3 ALA A 54 5.046 -11.154 -4.016 1.00 0.00 H new ATOM 792 N SER A 55 7.208 -9.618 -2.073 1.00 0.00 N ATOM 793 CA SER A 55 8.423 -9.968 -1.354 1.00 0.00 C ATOM 794 C SER A 55 8.478 -9.273 -0.004 1.00 0.00 C ATOM 795 O SER A 55 8.754 -9.901 1.015 1.00 0.00 O ATOM 796 CB SER A 55 9.660 -9.612 -2.179 1.00 0.00 C ATOM 797 OG SER A 55 9.639 -10.266 -3.435 1.00 0.00 O ATOM 0 H SER A 55 7.353 -9.015 -2.883 1.00 0.00 H new ATOM 0 HA SER A 55 8.411 -11.045 -1.186 1.00 0.00 H new ATOM 0 HB2 SER A 55 9.704 -8.533 -2.328 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.560 -9.895 -1.633 1.00 0.00 H new ATOM 0 HG SER A 55 10.439 -10.021 -3.945 1.00 0.00 H new ATOM 803 N TYR A 56 8.197 -7.978 -0.003 1.00 0.00 N ATOM 804 CA TYR A 56 8.201 -7.208 1.227 1.00 0.00 C ATOM 805 C TYR A 56 6.983 -7.558 2.052 1.00 0.00 C ATOM 806 O TYR A 56 7.080 -8.005 3.199 1.00 0.00 O ATOM 807 CB TYR A 56 8.182 -5.716 0.928 1.00 0.00 C ATOM 808 CG TYR A 56 7.760 -4.877 2.113 1.00 0.00 C ATOM 809 CD1 TYR A 56 6.418 -4.654 2.386 1.00 0.00 C ATOM 810 CD2 TYR A 56 8.705 -4.311 2.960 1.00 0.00 C ATOM 811 CE1 TYR A 56 6.027 -3.891 3.465 1.00 0.00 C ATOM 812 CE2 TYR A 56 8.321 -3.548 4.046 1.00 0.00 C ATOM 813 CZ TYR A 56 6.982 -3.341 4.292 1.00 0.00 C ATOM 814 OH TYR A 56 6.597 -2.585 5.377 1.00 0.00 O ATOM 0 H TYR A 56 7.964 -7.442 -0.839 1.00 0.00 H new ATOM 0 HA TYR A 56 9.109 -7.450 1.779 1.00 0.00 H new ATOM 0 HB2 TYR A 56 9.175 -5.404 0.605 1.00 0.00 H new ATOM 0 HB3 TYR A 56 7.503 -5.527 0.097 1.00 0.00 H new ATOM 0 HD1 TYR A 56 5.667 -5.086 1.742 1.00 0.00 H new ATOM 0 HD2 TYR A 56 9.756 -4.470 2.767 1.00 0.00 H new ATOM 0 HE1 TYR A 56 4.978 -3.725 3.661 1.00 0.00 H new ATOM 0 HE2 TYR A 56 9.066 -3.117 4.698 1.00 0.00 H new ATOM 0 HH TYR A 56 7.392 -2.272 5.857 1.00 0.00 H new ATOM 824 N LEU A 57 5.831 -7.345 1.445 1.00 0.00 N ATOM 825 CA LEU A 57 4.571 -7.628 2.100 1.00 0.00 C ATOM 826 C LEU A 57 4.600 -9.013 2.721 1.00 0.00 C ATOM 827 O LEU A 57 4.133 -9.211 3.841 1.00 0.00 O ATOM 828 CB LEU A 57 3.413 -7.504 1.111 1.00 0.00 C ATOM 829 CG LEU A 57 2.208 -6.728 1.638 1.00 0.00 C ATOM 830 CD1 LEU A 57 2.654 -5.450 2.332 1.00 0.00 C ATOM 831 CD2 LEU A 57 1.239 -6.409 0.511 1.00 0.00 C ATOM 0 H LEU A 57 5.743 -6.976 0.498 1.00 0.00 H new ATOM 0 HA LEU A 57 4.420 -6.897 2.894 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.776 -7.016 0.206 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.088 -8.504 0.825 1.00 0.00 H new ATOM 0 HG LEU A 57 1.694 -7.355 2.367 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.780 -4.912 2.700 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.306 -5.699 3.169 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.196 -4.822 1.625 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.388 -5.856 0.908 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.744 -5.805 -0.243 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.889 -7.337 0.058 1.00 0.00 H new ATOM 843 N ASN A 58 5.174 -9.971 2.002 1.00 0.00 N ATOM 844 CA ASN A 58 5.278 -11.327 2.518 1.00 0.00 C ATOM 845 C ASN A 58 6.206 -11.353 3.723 1.00 0.00 C ATOM 846 O ASN A 58 6.066 -12.191 4.613 1.00 0.00 O ATOM 847 CB ASN A 58 5.780 -12.286 1.439 1.00 0.00 C ATOM 848 CG ASN A 58 5.952 -13.700 1.958 1.00 0.00 C ATOM 849 OD1 ASN A 58 5.289 -14.108 2.913 1.00 0.00 O ATOM 850 ND2 ASN A 58 6.844 -14.458 1.331 1.00 0.00 N ATOM 0 H ASN A 58 5.569 -9.835 1.072 1.00 0.00 H new ATOM 0 HA ASN A 58 4.285 -11.656 2.825 1.00 0.00 H new ATOM 0 HB2 ASN A 58 5.078 -12.291 0.605 1.00 0.00 H new ATOM 0 HB3 ASN A 58 6.733 -11.926 1.051 1.00 0.00 H new ATOM 0 HD21 ASN A 58 7.002 -15.418 1.636 1.00 0.00 H new ATOM 0 HD22 ASN A 58 7.372 -14.080 0.544 1.00 0.00 H new ATOM 857 N THR A 59 7.153 -10.423 3.741 1.00 0.00 N ATOM 858 CA THR A 59 8.110 -10.323 4.832 1.00 0.00 C ATOM 859 C THR A 59 7.427 -9.846 6.101 1.00 0.00 C ATOM 860 O THR A 59 7.732 -10.315 7.196 1.00 0.00 O ATOM 861 CB THR A 59 9.251 -9.377 4.460 1.00 0.00 C ATOM 862 OG1 THR A 59 9.795 -9.717 3.197 1.00 0.00 O ATOM 863 CG2 THR A 59 10.385 -9.382 5.464 1.00 0.00 C ATOM 0 H THR A 59 7.278 -9.725 3.008 1.00 0.00 H new ATOM 0 HA THR A 59 8.524 -11.315 5.013 1.00 0.00 H new ATOM 0 HB THR A 59 8.806 -8.382 4.443 1.00 0.00 H new ATOM 0 HG1 THR A 59 9.115 -9.590 2.503 1.00 0.00 H new ATOM 0 HG21 THR A 59 11.161 -8.689 5.139 1.00 0.00 H new ATOM 0 HG22 THR A 59 10.009 -9.074 6.440 1.00 0.00 H new ATOM 0 HG23 THR A 59 10.802 -10.386 5.537 1.00 0.00 H new ATOM 871 N LEU A 60 6.499 -8.909 5.943 1.00 0.00 N ATOM 872 CA LEU A 60 5.764 -8.361 7.081 1.00 0.00 C ATOM 873 C LEU A 60 5.468 -9.428 8.137 1.00 0.00 C ATOM 874 O LEU A 60 5.125 -10.563 7.806 1.00 0.00 O ATOM 875 CB LEU A 60 4.454 -7.745 6.609 1.00 0.00 C ATOM 876 CG LEU A 60 4.417 -6.229 6.677 1.00 0.00 C ATOM 877 CD1 LEU A 60 4.727 -5.635 5.315 1.00 0.00 C ATOM 878 CD2 LEU A 60 3.069 -5.755 7.192 1.00 0.00 C ATOM 0 H LEU A 60 6.237 -8.512 5.041 1.00 0.00 H new ATOM 0 HA LEU A 60 6.394 -7.597 7.537 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.270 -8.056 5.581 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.640 -8.144 7.213 1.00 0.00 H new ATOM 0 HG LEU A 60 5.180 -5.887 7.376 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.697 -4.547 5.377 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.720 -5.953 4.997 1.00 0.00 H new ATOM 0 HD13 LEU A 60 3.987 -5.977 4.592 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.058 -4.666 7.235 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.282 -6.099 6.521 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.898 -6.159 8.190 1.00 0.00 H new ATOM 890 N PRO A 61 5.594 -9.069 9.425 1.00 0.00 N ATOM 891 CA PRO A 61 5.337 -9.990 10.536 1.00 0.00 C ATOM 892 C PRO A 61 3.859 -10.343 10.665 1.00 0.00 C ATOM 893 O PRO A 61 3.091 -10.212 9.712 1.00 0.00 O ATOM 894 CB PRO A 61 5.800 -9.215 11.780 1.00 0.00 C ATOM 895 CG PRO A 61 6.558 -8.037 11.263 1.00 0.00 C ATOM 896 CD PRO A 61 5.993 -7.741 9.907 1.00 0.00 C ATOM 0 HA PRO A 61 5.855 -10.938 10.393 1.00 0.00 H new ATOM 0 HB2 PRO A 61 4.949 -8.899 12.384 1.00 0.00 H new ATOM 0 HB3 PRO A 61 6.429 -9.837 12.417 1.00 0.00 H new ATOM 0 HG2 PRO A 61 6.446 -7.180 11.927 1.00 0.00 H new ATOM 0 HG3 PRO A 61 7.624 -8.256 11.202 1.00 0.00 H new ATOM 0 HD2 PRO A 61 5.145 -7.059 9.962 1.00 0.00 H new ATOM 0 HD3 PRO A 61 6.732 -7.278 9.253 1.00 0.00 H new ATOM 904 N GLU A 62 3.479 -10.789 11.853 1.00 0.00 N ATOM 905 CA GLU A 62 2.099 -11.164 12.139 1.00 0.00 C ATOM 906 C GLU A 62 1.137 -10.039 11.804 1.00 0.00 C ATOM 907 O GLU A 62 1.477 -9.112 11.076 1.00 0.00 O ATOM 908 CB GLU A 62 1.951 -11.558 13.609 1.00 0.00 C ATOM 909 CG GLU A 62 1.887 -10.373 14.560 1.00 0.00 C ATOM 910 CD GLU A 62 3.197 -9.615 14.635 1.00 0.00 C ATOM 911 OE1 GLU A 62 4.208 -10.215 15.057 1.00 0.00 O ATOM 912 OE2 GLU A 62 3.213 -8.418 14.273 1.00 0.00 O ATOM 0 H GLU A 62 4.114 -10.901 12.644 1.00 0.00 H new ATOM 0 HA GLU A 62 1.850 -12.019 11.510 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.046 -12.155 13.726 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.791 -12.193 13.891 1.00 0.00 H new ATOM 0 HG2 GLU A 62 1.097 -9.695 14.237 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.618 -10.725 15.556 1.00 0.00 H new ATOM 919 N ASN A 63 -0.066 -10.165 12.327 1.00 0.00 N ATOM 920 CA ASN A 63 -1.134 -9.212 12.101 1.00 0.00 C ATOM 921 C ASN A 63 -0.637 -7.768 12.093 1.00 0.00 C ATOM 922 O ASN A 63 -0.958 -6.986 12.989 1.00 0.00 O ATOM 923 CB ASN A 63 -2.220 -9.377 13.166 1.00 0.00 C ATOM 924 CG ASN A 63 -3.616 -9.238 12.594 1.00 0.00 C ATOM 925 OD1 ASN A 63 -4.542 -9.936 13.009 1.00 0.00 O ATOM 926 ND2 ASN A 63 -3.774 -8.335 11.633 1.00 0.00 N ATOM 0 H ASN A 63 -0.333 -10.943 12.930 1.00 0.00 H new ATOM 0 HA ASN A 63 -1.545 -9.422 11.114 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -2.119 -10.355 13.636 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -2.075 -8.631 13.948 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -4.691 -8.198 11.208 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -2.978 -7.779 11.320 1.00 0.00 H new ATOM 933 N THR A 64 0.127 -7.417 11.070 1.00 0.00 N ATOM 934 CA THR A 64 0.654 -6.065 10.936 1.00 0.00 C ATOM 935 C THR A 64 -0.283 -5.215 10.089 1.00 0.00 C ATOM 936 O THR A 64 -1.102 -5.747 9.339 1.00 0.00 O ATOM 937 CB THR A 64 2.046 -6.093 10.304 1.00 0.00 C ATOM 938 OG1 THR A 64 2.222 -7.261 9.522 1.00 0.00 O ATOM 939 CG2 THR A 64 3.165 -6.048 11.323 1.00 0.00 C ATOM 0 H THR A 64 0.397 -8.051 10.318 1.00 0.00 H new ATOM 0 HA THR A 64 0.730 -5.626 11.931 1.00 0.00 H new ATOM 0 HB THR A 64 2.100 -5.196 9.687 1.00 0.00 H new ATOM 0 HG1 THR A 64 2.401 -8.024 10.110 1.00 0.00 H new ATOM 0 HG21 THR A 64 4.126 -6.071 10.809 1.00 0.00 H new ATOM 0 HG22 THR A 64 3.088 -5.131 11.908 1.00 0.00 H new ATOM 0 HG23 THR A 64 3.088 -6.909 11.986 1.00 0.00 H new ATOM 947 N THR A 65 -0.172 -3.899 10.216 1.00 0.00 N ATOM 948 CA THR A 65 -1.027 -2.990 9.464 1.00 0.00 C ATOM 949 C THR A 65 -0.234 -2.204 8.427 1.00 0.00 C ATOM 950 O THR A 65 -0.005 -1.005 8.585 1.00 0.00 O ATOM 951 CB THR A 65 -1.716 -2.020 10.411 1.00 0.00 C ATOM 952 OG1 THR A 65 -1.806 -2.564 11.715 1.00 0.00 O ATOM 953 CG2 THR A 65 -3.113 -1.641 9.971 1.00 0.00 C ATOM 0 H THR A 65 0.499 -3.438 10.830 1.00 0.00 H new ATOM 0 HA THR A 65 -1.771 -3.592 8.943 1.00 0.00 H new ATOM 0 HB THR A 65 -1.096 -1.124 10.402 1.00 0.00 H new ATOM 0 HG1 THR A 65 -2.251 -1.922 12.307 1.00 0.00 H new ATOM 0 HG21 THR A 65 -3.546 -0.947 10.692 1.00 0.00 H new ATOM 0 HG22 THR A 65 -3.069 -1.166 8.991 1.00 0.00 H new ATOM 0 HG23 THR A 65 -3.732 -2.537 9.913 1.00 0.00 H new ATOM 961 N LYS A 66 0.166 -2.884 7.367 1.00 0.00 N ATOM 962 CA LYS A 66 0.919 -2.258 6.303 1.00 0.00 C ATOM 963 C LYS A 66 0.197 -1.029 5.791 1.00 0.00 C ATOM 964 O LYS A 66 -0.791 -1.124 5.077 1.00 0.00 O ATOM 965 CB LYS A 66 1.145 -3.267 5.175 1.00 0.00 C ATOM 966 CG LYS A 66 2.580 -3.370 4.696 1.00 0.00 C ATOM 967 CD LYS A 66 3.515 -2.476 5.483 1.00 0.00 C ATOM 968 CE LYS A 66 3.672 -2.922 6.930 1.00 0.00 C ATOM 969 NZ LYS A 66 3.895 -1.768 7.846 1.00 0.00 N ATOM 0 H LYS A 66 -0.021 -3.876 7.223 1.00 0.00 H new ATOM 0 HA LYS A 66 1.887 -1.938 6.690 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.818 -4.250 5.514 1.00 0.00 H new ATOM 0 HB3 LYS A 66 0.513 -2.995 4.330 1.00 0.00 H new ATOM 0 HG2 LYS A 66 2.915 -4.404 4.779 1.00 0.00 H new ATOM 0 HG3 LYS A 66 2.628 -3.103 3.640 1.00 0.00 H new ATOM 0 HD2 LYS A 66 4.493 -2.466 5.002 1.00 0.00 H new ATOM 0 HD3 LYS A 66 3.138 -1.453 5.461 1.00 0.00 H new ATOM 0 HE2 LYS A 66 2.780 -3.465 7.241 1.00 0.00 H new ATOM 0 HE3 LYS A 66 4.510 -3.614 7.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 4.839 -1.843 8.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 3.829 -0.880 7.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 3.172 -1.774 8.594 1.00 0.00 H new ATOM 983 N THR A 67 0.710 0.123 6.162 1.00 0.00 N ATOM 984 CA THR A 67 0.110 1.382 5.751 1.00 0.00 C ATOM 985 C THR A 67 0.884 2.005 4.605 1.00 0.00 C ATOM 986 O THR A 67 2.030 2.420 4.762 1.00 0.00 O ATOM 987 CB THR A 67 0.043 2.348 6.929 1.00 0.00 C ATOM 988 OG1 THR A 67 -0.534 1.723 8.059 1.00 0.00 O ATOM 989 CG2 THR A 67 -0.750 3.598 6.633 1.00 0.00 C ATOM 0 H THR A 67 1.540 0.219 6.747 1.00 0.00 H new ATOM 0 HA THR A 67 -0.903 1.176 5.406 1.00 0.00 H new ATOM 0 HB THR A 67 1.076 2.635 7.126 1.00 0.00 H new ATOM 0 HG1 THR A 67 -0.203 0.803 8.129 1.00 0.00 H new ATOM 0 HG21 THR A 67 -0.757 4.241 7.513 1.00 0.00 H new ATOM 0 HG22 THR A 67 -0.293 4.130 5.799 1.00 0.00 H new ATOM 0 HG23 THR A 67 -1.773 3.327 6.373 1.00 0.00 H new ATOM 997 N LEU A 68 0.240 2.068 3.451 1.00 0.00 N ATOM 998 CA LEU A 68 0.850 2.641 2.259 1.00 0.00 C ATOM 999 C LEU A 68 0.452 4.104 2.102 1.00 0.00 C ATOM 1000 O LEU A 68 -0.390 4.433 1.274 1.00 0.00 O ATOM 1001 CB LEU A 68 0.422 1.846 1.020 1.00 0.00 C ATOM 1002 CG LEU A 68 1.536 1.555 0.014 1.00 0.00 C ATOM 1003 CD1 LEU A 68 2.623 0.705 0.650 1.00 0.00 C ATOM 1004 CD2 LEU A 68 0.970 0.859 -1.211 1.00 0.00 C ATOM 0 H LEU A 68 -0.711 1.727 3.313 1.00 0.00 H new ATOM 0 HA LEU A 68 1.934 2.587 2.364 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -0.007 0.899 1.347 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -0.370 2.396 0.511 1.00 0.00 H new ATOM 0 HG LEU A 68 1.978 2.502 -0.295 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.406 0.509 -0.082 1.00 0.00 H new ATOM 0 HD12 LEU A 68 3.047 1.235 1.503 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.196 -0.240 0.986 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.774 0.658 -1.919 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.505 -0.081 -0.913 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.224 1.500 -1.681 1.00 0.00 H new ATOM 1016 N THR A 69 1.056 4.983 2.898 1.00 0.00 N ATOM 1017 CA THR A 69 0.737 6.400 2.822 1.00 0.00 C ATOM 1018 C THR A 69 1.480 7.060 1.667 1.00 0.00 C ATOM 1019 O THR A 69 2.621 7.495 1.820 1.00 0.00 O ATOM 1020 CB THR A 69 1.088 7.098 4.136 1.00 0.00 C ATOM 1021 OG1 THR A 69 0.216 6.682 5.173 1.00 0.00 O ATOM 1022 CG2 THR A 69 1.014 8.604 4.056 1.00 0.00 C ATOM 0 H THR A 69 1.761 4.740 3.594 1.00 0.00 H new ATOM 0 HA THR A 69 -0.334 6.497 2.646 1.00 0.00 H new ATOM 0 HB THR A 69 2.119 6.813 4.345 1.00 0.00 H new ATOM 0 HG1 THR A 69 0.424 5.758 5.424 1.00 0.00 H new ATOM 0 HG21 THR A 69 1.275 9.033 5.023 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.712 8.963 3.299 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.001 8.905 3.787 1.00 0.00 H new ATOM 1030 N PHE A 70 0.826 7.135 0.513 1.00 0.00 N ATOM 1031 CA PHE A 70 1.424 7.744 -0.659 1.00 0.00 C ATOM 1032 C PHE A 70 1.555 9.252 -0.482 1.00 0.00 C ATOM 1033 O PHE A 70 0.558 9.973 -0.524 1.00 0.00 O ATOM 1034 CB PHE A 70 0.566 7.445 -1.889 1.00 0.00 C ATOM 1035 CG PHE A 70 0.635 6.016 -2.345 1.00 0.00 C ATOM 1036 CD1 PHE A 70 0.063 5.007 -1.588 1.00 0.00 C ATOM 1037 CD2 PHE A 70 1.268 5.682 -3.531 1.00 0.00 C ATOM 1038 CE1 PHE A 70 0.122 3.691 -2.005 1.00 0.00 C ATOM 1039 CE2 PHE A 70 1.329 4.368 -3.953 1.00 0.00 C ATOM 1040 CZ PHE A 70 0.755 3.372 -3.189 1.00 0.00 C ATOM 0 H PHE A 70 -0.119 6.780 0.369 1.00 0.00 H new ATOM 0 HA PHE A 70 2.421 7.324 -0.794 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -0.471 7.696 -1.666 1.00 0.00 H new ATOM 0 HB3 PHE A 70 0.882 8.093 -2.707 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -0.435 5.252 -0.661 1.00 0.00 H new ATOM 0 HD2 PHE A 70 1.719 6.457 -4.132 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -0.327 2.913 -1.405 1.00 0.00 H new ATOM 0 HE2 PHE A 70 1.825 4.120 -4.880 1.00 0.00 H new ATOM 0 HZ PHE A 70 0.801 2.344 -3.517 1.00 0.00 H new ATOM 1050 N ASP A 71 2.781 9.731 -0.285 1.00 0.00 N ATOM 1051 CA ASP A 71 2.999 11.161 -0.113 1.00 0.00 C ATOM 1052 C ASP A 71 2.747 11.891 -1.418 1.00 0.00 C ATOM 1053 O ASP A 71 3.642 12.059 -2.243 1.00 0.00 O ATOM 1054 CB ASP A 71 4.410 11.437 0.367 1.00 0.00 C ATOM 1055 CG ASP A 71 4.715 12.918 0.461 1.00 0.00 C ATOM 1056 OD1 ASP A 71 4.687 13.599 -0.581 1.00 0.00 O ATOM 1057 OD2 ASP A 71 4.982 13.400 1.583 1.00 0.00 O ATOM 0 H ASP A 71 3.625 9.159 -0.241 1.00 0.00 H new ATOM 0 HA ASP A 71 2.299 11.523 0.640 1.00 0.00 H new ATOM 0 HB2 ASP A 71 4.553 10.978 1.345 1.00 0.00 H new ATOM 0 HB3 ASP A 71 5.120 10.966 -0.313 1.00 0.00 H new ATOM 1062 N PHE A 72 1.515 12.321 -1.582 1.00 0.00 N ATOM 1063 CA PHE A 72 1.092 13.039 -2.778 1.00 0.00 C ATOM 1064 C PHE A 72 1.187 14.544 -2.556 1.00 0.00 C ATOM 1065 O PHE A 72 0.487 15.324 -3.198 1.00 0.00 O ATOM 1066 CB PHE A 72 -0.337 12.654 -3.150 1.00 0.00 C ATOM 1067 CG PHE A 72 -0.428 11.705 -4.313 1.00 0.00 C ATOM 1068 CD1 PHE A 72 -0.052 10.379 -4.176 1.00 0.00 C ATOM 1069 CD2 PHE A 72 -0.892 12.141 -5.545 1.00 0.00 C ATOM 1070 CE1 PHE A 72 -0.134 9.505 -5.242 1.00 0.00 C ATOM 1071 CE2 PHE A 72 -0.977 11.272 -6.616 1.00 0.00 C ATOM 1072 CZ PHE A 72 -0.600 9.953 -6.464 1.00 0.00 C ATOM 0 H PHE A 72 0.774 12.186 -0.894 1.00 0.00 H new ATOM 0 HA PHE A 72 1.755 12.764 -3.598 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -0.818 12.199 -2.284 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -0.897 13.559 -3.387 1.00 0.00 H new ATOM 0 HD1 PHE A 72 0.310 10.024 -3.223 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -1.190 13.172 -5.669 1.00 0.00 H new ATOM 0 HE1 PHE A 72 0.165 8.474 -5.121 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -1.338 11.624 -7.571 1.00 0.00 H new ATOM 0 HZ PHE A 72 -0.669 9.271 -7.299 1.00 0.00 H new ATOM 1082 N GLY A 73 2.059 14.940 -1.637 1.00 0.00 N ATOM 1083 CA GLY A 73 2.235 16.343 -1.339 1.00 0.00 C ATOM 1084 C GLY A 73 1.203 16.869 -0.360 1.00 0.00 C ATOM 1085 O GLY A 73 1.399 17.921 0.242 1.00 0.00 O ATOM 0 H GLY A 73 2.648 14.310 -1.093 1.00 0.00 H new ATOM 0 HA2 GLY A 73 3.232 16.500 -0.928 1.00 0.00 H new ATOM 0 HA3 GLY A 73 2.177 16.916 -2.264 1.00 0.00 H new ATOM 1089 N VAL A 74 0.107 16.137 -0.203 1.00 0.00 N ATOM 1090 CA VAL A 74 -0.945 16.541 0.709 1.00 0.00 C ATOM 1091 C VAL A 74 -0.631 16.099 2.136 1.00 0.00 C ATOM 1092 O VAL A 74 -0.664 16.905 3.064 1.00 0.00 O ATOM 1093 CB VAL A 74 -2.315 15.972 0.289 1.00 0.00 C ATOM 1094 CG1 VAL A 74 -2.725 16.517 -1.066 1.00 0.00 C ATOM 1095 CG2 VAL A 74 -2.288 14.451 0.274 1.00 0.00 C ATOM 0 H VAL A 74 -0.072 15.263 -0.696 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.995 17.629 0.670 1.00 0.00 H new ATOM 0 HB VAL A 74 -3.056 16.288 1.023 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.694 16.104 -1.346 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -2.794 17.604 -1.015 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.982 16.235 -1.812 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -3.265 14.073 -0.025 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.534 14.107 -0.434 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.045 14.082 1.270 1.00 0.00 H new ATOM 1105 N GLY A 75 -0.314 14.817 2.299 1.00 0.00 N ATOM 1106 CA GLY A 75 0.008 14.293 3.612 1.00 0.00 C ATOM 1107 C GLY A 75 -1.199 14.136 4.506 1.00 0.00 C ATOM 1108 O GLY A 75 -1.515 13.036 4.959 1.00 0.00 O ATOM 0 H GLY A 75 -0.275 14.133 1.544 1.00 0.00 H new ATOM 0 HA2 GLY A 75 0.496 13.325 3.499 1.00 0.00 H new ATOM 0 HA3 GLY A 75 0.725 14.957 4.095 1.00 0.00 H new ATOM 1112 N THR A 76 -1.865 15.244 4.760 1.00 0.00 N ATOM 1113 CA THR A 76 -3.046 15.263 5.610 1.00 0.00 C ATOM 1114 C THR A 76 -4.036 14.172 5.219 1.00 0.00 C ATOM 1115 O THR A 76 -4.294 13.248 5.989 1.00 0.00 O ATOM 1116 CB THR A 76 -3.728 16.626 5.522 1.00 0.00 C ATOM 1117 OG1 THR A 76 -2.826 17.662 5.866 1.00 0.00 O ATOM 1118 CG2 THR A 76 -4.939 16.751 6.422 1.00 0.00 C ATOM 0 H THR A 76 -1.606 16.157 4.386 1.00 0.00 H new ATOM 0 HA THR A 76 -2.722 15.076 6.634 1.00 0.00 H new ATOM 0 HB THR A 76 -4.056 16.717 4.487 1.00 0.00 H new ATOM 0 HG1 THR A 76 -3.282 18.527 5.802 1.00 0.00 H new ATOM 0 HG21 THR A 76 -5.375 17.744 6.310 1.00 0.00 H new ATOM 0 HG22 THR A 76 -5.677 15.998 6.146 1.00 0.00 H new ATOM 0 HG23 THR A 76 -4.639 16.602 7.459 1.00 0.00 H new ATOM 1126 N LYS A 77 -4.602 14.299 4.025 1.00 0.00 N ATOM 1127 CA LYS A 77 -5.579 13.340 3.541 1.00 0.00 C ATOM 1128 C LYS A 77 -5.007 12.461 2.435 1.00 0.00 C ATOM 1129 O LYS A 77 -5.754 11.891 1.639 1.00 0.00 O ATOM 1130 CB LYS A 77 -6.827 14.066 3.034 1.00 0.00 C ATOM 1131 CG LYS A 77 -7.317 15.161 3.969 1.00 0.00 C ATOM 1132 CD LYS A 77 -8.813 15.380 3.833 1.00 0.00 C ATOM 1133 CE LYS A 77 -9.603 14.298 4.552 1.00 0.00 C ATOM 1134 NZ LYS A 77 -10.887 14.816 5.099 1.00 0.00 N ATOM 0 H LYS A 77 -4.399 15.059 3.376 1.00 0.00 H new ATOM 0 HA LYS A 77 -5.848 12.695 4.377 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -6.612 14.502 2.058 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -7.626 13.339 2.889 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -7.079 14.895 4.999 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -6.791 16.090 3.750 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -9.077 16.356 4.240 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -9.086 15.390 2.778 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -9.807 13.479 3.862 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -9.002 13.889 5.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -11.394 14.047 5.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -10.692 15.580 5.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -11.472 15.183 4.322 1.00 0.00 H new ATOM 1148 N ASN A 78 -3.685 12.342 2.387 1.00 0.00 N ATOM 1149 CA ASN A 78 -3.037 11.528 1.385 1.00 0.00 C ATOM 1150 C ASN A 78 -3.590 10.103 1.406 1.00 0.00 C ATOM 1151 O ASN A 78 -3.750 9.506 2.471 1.00 0.00 O ATOM 1152 CB ASN A 78 -1.538 11.519 1.643 1.00 0.00 C ATOM 1153 CG ASN A 78 -1.196 11.179 3.079 1.00 0.00 C ATOM 1154 OD1 ASN A 78 -2.081 10.960 3.906 1.00 0.00 O ATOM 1155 ND2 ASN A 78 0.092 11.127 3.379 1.00 0.00 N ATOM 0 H ASN A 78 -3.046 12.803 3.035 1.00 0.00 H new ATOM 0 HA ASN A 78 -3.234 11.949 0.399 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -1.063 10.796 0.979 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -1.125 12.497 1.397 1.00 0.00 H new ATOM 0 HD21 ASN A 78 0.386 10.898 4.329 1.00 0.00 H new ATOM 0 HD22 ASN A 78 0.791 11.316 2.661 1.00 0.00 H new ATOM 1162 N PRO A 79 -3.899 9.540 0.227 1.00 0.00 N ATOM 1163 CA PRO A 79 -4.443 8.183 0.124 1.00 0.00 C ATOM 1164 C PRO A 79 -3.501 7.131 0.696 1.00 0.00 C ATOM 1165 O PRO A 79 -2.564 6.689 0.027 1.00 0.00 O ATOM 1166 CB PRO A 79 -4.628 7.971 -1.378 1.00 0.00 C ATOM 1167 CG PRO A 79 -4.622 9.338 -1.973 1.00 0.00 C ATOM 1168 CD PRO A 79 -3.748 10.177 -1.085 1.00 0.00 C ATOM 0 HA PRO A 79 -5.366 8.080 0.695 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -3.826 7.359 -1.790 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -5.564 7.454 -1.590 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -4.236 9.317 -2.992 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -5.632 9.745 -2.023 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -2.710 10.171 -1.419 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -4.072 11.218 -1.068 1.00 0.00 H new ATOM 1176 N LYS A 80 -3.759 6.724 1.936 1.00 0.00 N ATOM 1177 CA LYS A 80 -2.941 5.715 2.595 1.00 0.00 C ATOM 1178 C LYS A 80 -3.584 4.341 2.469 1.00 0.00 C ATOM 1179 O LYS A 80 -4.708 4.125 2.918 1.00 0.00 O ATOM 1180 CB LYS A 80 -2.736 6.061 4.069 1.00 0.00 C ATOM 1181 CG LYS A 80 -3.995 6.553 4.766 1.00 0.00 C ATOM 1182 CD LYS A 80 -3.926 8.040 5.061 1.00 0.00 C ATOM 1183 CE LYS A 80 -5.298 8.690 4.984 1.00 0.00 C ATOM 1184 NZ LYS A 80 -5.890 8.580 3.622 1.00 0.00 N ATOM 0 H LYS A 80 -4.529 7.079 2.503 1.00 0.00 H new ATOM 0 HA LYS A 80 -1.968 5.696 2.103 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -2.364 5.179 4.591 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -1.965 6.827 4.149 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -4.863 6.346 4.140 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -4.135 6.003 5.697 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -3.504 8.195 6.054 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -3.254 8.522 4.351 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -5.963 8.220 5.708 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -5.218 9.741 5.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -6.634 9.298 3.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -5.149 8.733 2.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -6.301 7.633 3.497 1.00 0.00 H new ATOM 1198 N LEU A 81 -2.865 3.417 1.844 1.00 0.00 N ATOM 1199 CA LEU A 81 -3.363 2.064 1.643 1.00 0.00 C ATOM 1200 C LEU A 81 -3.176 1.208 2.888 1.00 0.00 C ATOM 1201 O LEU A 81 -2.080 0.726 3.159 1.00 0.00 O ATOM 1202 CB LEU A 81 -2.654 1.407 0.462 1.00 0.00 C ATOM 1203 CG LEU A 81 -3.549 0.539 -0.417 1.00 0.00 C ATOM 1204 CD1 LEU A 81 -2.710 -0.383 -1.278 1.00 0.00 C ATOM 1205 CD2 LEU A 81 -4.527 -0.257 0.428 1.00 0.00 C ATOM 0 H LEU A 81 -1.932 3.582 1.467 1.00 0.00 H new ATOM 0 HA LEU A 81 -4.430 2.137 1.434 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -2.208 2.186 -0.155 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -1.837 0.794 0.842 1.00 0.00 H new ATOM 0 HG LEU A 81 -4.125 1.193 -1.072 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.364 -0.996 -1.899 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.055 0.211 -1.916 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -2.107 -1.028 -0.639 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.155 -0.868 -0.221 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.976 -0.902 1.112 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.154 0.427 1.000 1.00 0.00 H new ATOM 1217 N THR A 82 -4.252 1.002 3.638 1.00 0.00 N ATOM 1218 CA THR A 82 -4.175 0.187 4.840 1.00 0.00 C ATOM 1219 C THR A 82 -4.156 -1.288 4.479 1.00 0.00 C ATOM 1220 O THR A 82 -5.058 -1.786 3.806 1.00 0.00 O ATOM 1221 CB THR A 82 -5.351 0.490 5.771 1.00 0.00 C ATOM 1222 OG1 THR A 82 -5.497 1.886 5.959 1.00 0.00 O ATOM 1223 CG2 THR A 82 -5.212 -0.141 7.137 1.00 0.00 C ATOM 0 H THR A 82 -5.176 1.383 3.437 1.00 0.00 H new ATOM 0 HA THR A 82 -3.249 0.431 5.362 1.00 0.00 H new ATOM 0 HB THR A 82 -6.224 0.063 5.277 1.00 0.00 H new ATOM 0 HG1 THR A 82 -6.087 2.250 5.266 1.00 0.00 H new ATOM 0 HG21 THR A 82 -6.080 0.114 7.746 1.00 0.00 H new ATOM 0 HG22 THR A 82 -5.148 -1.224 7.033 1.00 0.00 H new ATOM 0 HG23 THR A 82 -4.308 0.231 7.619 1.00 0.00 H new ATOM 1231 N ILE A 83 -3.119 -1.982 4.929 1.00 0.00 N ATOM 1232 CA ILE A 83 -2.964 -3.405 4.656 1.00 0.00 C ATOM 1233 C ILE A 83 -2.810 -4.189 5.954 1.00 0.00 C ATOM 1234 O ILE A 83 -2.065 -3.792 6.852 1.00 0.00 O ATOM 1235 CB ILE A 83 -1.745 -3.670 3.743 1.00 0.00 C ATOM 1236 CG1 ILE A 83 -2.136 -3.528 2.271 1.00 0.00 C ATOM 1237 CG2 ILE A 83 -1.157 -5.055 4.001 1.00 0.00 C ATOM 1238 CD1 ILE A 83 -1.064 -4.001 1.315 1.00 0.00 C ATOM 0 H ILE A 83 -2.368 -1.579 5.489 1.00 0.00 H new ATOM 0 HA ILE A 83 -3.864 -3.739 4.141 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.983 -2.927 3.977 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -3.049 -4.094 2.089 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -2.362 -2.482 2.062 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -0.301 -5.215 3.345 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -0.836 -5.126 5.040 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -1.913 -5.814 3.802 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -1.408 -3.871 0.289 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -0.156 -3.418 1.469 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -0.854 -5.055 1.497 1.00 0.00 H new ATOM 1250 N THR A 84 -3.514 -5.308 6.037 1.00 0.00 N ATOM 1251 CA THR A 84 -3.463 -6.156 7.219 1.00 0.00 C ATOM 1252 C THR A 84 -2.772 -7.477 6.912 1.00 0.00 C ATOM 1253 O THR A 84 -3.395 -8.413 6.409 1.00 0.00 O ATOM 1254 CB THR A 84 -4.874 -6.415 7.751 1.00 0.00 C ATOM 1255 OG1 THR A 84 -5.820 -5.604 7.075 1.00 0.00 O ATOM 1256 CG2 THR A 84 -5.014 -6.143 9.232 1.00 0.00 C ATOM 0 H THR A 84 -4.129 -5.651 5.298 1.00 0.00 H new ATOM 0 HA THR A 84 -2.886 -5.635 7.983 1.00 0.00 H new ATOM 0 HB THR A 84 -5.061 -7.474 7.573 1.00 0.00 H new ATOM 0 HG1 THR A 84 -5.683 -5.678 6.108 1.00 0.00 H new ATOM 0 HG21 THR A 84 -6.038 -6.346 9.544 1.00 0.00 H new ATOM 0 HG22 THR A 84 -4.331 -6.787 9.786 1.00 0.00 H new ATOM 0 HG23 THR A 84 -4.774 -5.099 9.435 1.00 0.00 H new ATOM 1264 N VAL A 85 -1.483 -7.549 7.219 1.00 0.00 N ATOM 1265 CA VAL A 85 -0.708 -8.756 6.974 1.00 0.00 C ATOM 1266 C VAL A 85 -0.731 -9.681 8.183 1.00 0.00 C ATOM 1267 O VAL A 85 -0.423 -9.270 9.300 1.00 0.00 O ATOM 1268 CB VAL A 85 0.745 -8.424 6.626 1.00 0.00 C ATOM 1269 CG1 VAL A 85 1.459 -9.649 6.080 1.00 0.00 C ATOM 1270 CG2 VAL A 85 0.806 -7.274 5.631 1.00 0.00 C ATOM 0 H VAL A 85 -0.953 -6.785 7.638 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.171 -9.262 6.127 1.00 0.00 H new ATOM 0 HB VAL A 85 1.255 -8.113 7.538 1.00 0.00 H new ATOM 0 HG11 VAL A 85 2.490 -9.392 5.839 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.448 -10.441 6.829 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.951 -9.995 5.180 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.847 -7.052 5.395 1.00 0.00 H new ATOM 0 HG22 VAL A 85 0.279 -7.554 4.719 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.336 -6.392 6.065 1.00 0.00 H new ATOM 1280 N LEU A 86 -1.102 -10.933 7.952 1.00 0.00 N ATOM 1281 CA LEU A 86 -1.168 -11.922 9.023 1.00 0.00 C ATOM 1282 C LEU A 86 0.127 -12.722 9.115 1.00 0.00 C ATOM 1283 O LEU A 86 0.916 -12.747 8.173 1.00 0.00 O ATOM 1284 CB LEU A 86 -2.352 -12.866 8.801 1.00 0.00 C ATOM 1285 CG LEU A 86 -3.580 -12.222 8.151 1.00 0.00 C ATOM 1286 CD1 LEU A 86 -4.802 -13.112 8.319 1.00 0.00 C ATOM 1287 CD2 LEU A 86 -3.840 -10.846 8.748 1.00 0.00 C ATOM 0 H LEU A 86 -1.362 -11.289 7.032 1.00 0.00 H new ATOM 0 HA LEU A 86 -1.307 -11.389 9.964 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -2.023 -13.697 8.177 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.647 -13.287 9.762 1.00 0.00 H new ATOM 0 HG LEU A 86 -3.382 -12.105 7.086 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -5.665 -12.638 7.851 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.617 -14.077 7.846 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -5.001 -13.260 9.380 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.716 -10.403 8.274 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.016 -10.942 9.819 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.974 -10.206 8.579 1.00 0.00 H new