USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 728 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 111 SER OG : rot 180:sc= 0.0153 USER MOD Set 1.2: A 113 ASN : amide:sc= -2.05! X(o=-2!,f=-2.4) USER MOD Set 2.1: A 53 SER OG : rot -126:sc= -0.272! USER MOD Set 2.2: A 65 THR OG1 : rot 180:sc= -0.272 USER MOD Set 3.1: A 27 GLN : amide:sc= 0.0604 X(o=0.12,f=0.039) USER MOD Set 3.2: A 32 TYR OH : rot 0:sc= 0.0595 USER MOD Single : A 1 ALA N :NH3+ -109:sc= 0.135 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= -1.1 USER MOD Single : A 8 THR OG1 : rot 180:sc= -5.81! USER MOD Single : A 10 SER OG : rot 180:sc= 0.00236 USER MOD Single : A 11 SER OG : rot 38:sc= 1.18 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 92:sc= 0.538 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -14.8! C(o=-15!,f=-18!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -5.34! C(o=-5.3!,f=-22!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc=-0.00378 X(o=-0.0038,f=-0.083) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot -15:sc= 0.588! USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 130:sc= -1.43 USER MOD Single : A 72 SER OG : rot 60:sc= 1.11 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.132 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.179 K(o=-0.18,f=-2.3!) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 103 ASN : amide:sc= -9.59! C(o=-9.6!,f=-7.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 1.013 14.600 -7.244 1.00 0.00 N ATOM 2 CA ALA A 1 1.880 13.444 -7.350 1.00 0.00 C ATOM 3 C ALA A 1 2.184 12.898 -5.963 1.00 0.00 C ATOM 4 O ALA A 1 1.867 13.534 -4.960 1.00 0.00 O ATOM 5 CB ALA A 1 3.166 13.838 -8.071 1.00 0.00 C ATOM 0 H1 ALA A 1 0.064 14.355 -7.591 1.00 0.00 H new ATOM 0 H2 ALA A 1 0.952 14.898 -6.250 1.00 0.00 H new ATOM 0 H3 ALA A 1 1.400 15.378 -7.816 1.00 0.00 H new ATOM 0 HA ALA A 1 1.382 12.663 -7.924 1.00 0.00 H new ATOM 0 HB1 ALA A 1 3.819 12.969 -8.151 1.00 0.00 H new ATOM 0 HB2 ALA A 1 2.926 14.205 -9.069 1.00 0.00 H new ATOM 0 HB3 ALA A 1 3.673 14.622 -7.508 1.00 0.00 H new ATOM 11 N ALA A 2 2.801 11.715 -5.907 1.00 0.00 N ATOM 12 CA ALA A 2 3.143 11.090 -4.645 1.00 0.00 C ATOM 13 C ALA A 2 4.511 11.573 -4.185 1.00 0.00 C ATOM 14 O ALA A 2 5.383 11.848 -5.007 1.00 0.00 O ATOM 15 CB ALA A 2 3.132 9.573 -4.811 1.00 0.00 C ATOM 0 H ALA A 2 3.071 11.176 -6.730 1.00 0.00 H new ATOM 0 HA ALA A 2 2.409 11.365 -3.887 1.00 0.00 H new ATOM 0 HB1 ALA A 2 3.389 9.101 -3.863 1.00 0.00 H new ATOM 0 HB2 ALA A 2 2.139 9.248 -5.120 1.00 0.00 H new ATOM 0 HB3 ALA A 2 3.860 9.285 -5.569 1.00 0.00 H new ATOM 21 N PRO A 3 4.698 11.675 -2.867 1.00 0.00 N ATOM 22 CA PRO A 3 5.931 12.114 -2.250 1.00 0.00 C ATOM 23 C PRO A 3 6.986 11.025 -2.387 1.00 0.00 C ATOM 24 O PRO A 3 6.750 10.006 -3.031 1.00 0.00 O ATOM 25 CB PRO A 3 5.573 12.348 -0.784 1.00 0.00 C ATOM 26 CG PRO A 3 4.449 11.341 -0.545 1.00 0.00 C ATOM 27 CD PRO A 3 3.695 11.359 -1.873 1.00 0.00 C ATOM 0 HA PRO A 3 6.340 13.013 -2.711 1.00 0.00 H new ATOM 0 HB2 PRO A 3 6.423 12.168 -0.126 1.00 0.00 H new ATOM 0 HB3 PRO A 3 5.243 13.372 -0.607 1.00 0.00 H new ATOM 0 HG2 PRO A 3 4.837 10.349 -0.313 1.00 0.00 H new ATOM 0 HG3 PRO A 3 3.810 11.637 0.287 1.00 0.00 H new ATOM 0 HD2 PRO A 3 3.228 10.395 -2.075 1.00 0.00 H new ATOM 0 HD3 PRO A 3 2.899 12.103 -1.865 1.00 0.00 H new ATOM 35 N THR A 4 8.155 11.244 -1.779 1.00 0.00 N ATOM 36 CA THR A 4 9.236 10.281 -1.840 1.00 0.00 C ATOM 37 C THR A 4 9.283 9.472 -0.551 1.00 0.00 C ATOM 38 O THR A 4 9.661 9.990 0.497 1.00 0.00 O ATOM 39 CB THR A 4 10.556 11.013 -2.067 1.00 0.00 C ATOM 40 OG1 THR A 4 10.728 11.253 -3.445 1.00 0.00 O ATOM 41 CG2 THR A 4 11.708 10.155 -1.552 1.00 0.00 C ATOM 0 H THR A 4 8.368 12.084 -1.240 1.00 0.00 H new ATOM 0 HA THR A 4 9.068 9.594 -2.669 1.00 0.00 H new ATOM 0 HB THR A 4 10.543 11.962 -1.532 1.00 0.00 H new ATOM 0 HG1 THR A 4 11.574 11.725 -3.592 1.00 0.00 H new ATOM 0 HG21 THR A 4 12.651 10.677 -1.714 1.00 0.00 H new ATOM 0 HG22 THR A 4 11.575 9.968 -0.486 1.00 0.00 H new ATOM 0 HG23 THR A 4 11.722 9.206 -2.087 1.00 0.00 H new ATOM 49 N ALA A 5 8.897 8.197 -0.632 1.00 0.00 N ATOM 50 CA ALA A 5 8.895 7.324 0.524 1.00 0.00 C ATOM 51 C ALA A 5 9.818 6.139 0.277 1.00 0.00 C ATOM 52 O ALA A 5 9.812 5.561 -0.808 1.00 0.00 O ATOM 53 CB ALA A 5 7.471 6.851 0.802 1.00 0.00 C ATOM 0 H ALA A 5 8.582 7.753 -1.494 1.00 0.00 H new ATOM 0 HA ALA A 5 9.259 7.868 1.395 1.00 0.00 H new ATOM 0 HB1 ALA A 5 7.469 6.194 1.672 1.00 0.00 H new ATOM 0 HB2 ALA A 5 6.833 7.713 0.997 1.00 0.00 H new ATOM 0 HB3 ALA A 5 7.093 6.308 -0.064 1.00 0.00 H new ATOM 59 N THR A 6 10.614 5.777 1.286 1.00 0.00 N ATOM 60 CA THR A 6 11.534 4.664 1.168 1.00 0.00 C ATOM 61 C THR A 6 10.927 3.420 1.800 1.00 0.00 C ATOM 62 O THR A 6 10.751 3.359 3.015 1.00 0.00 O ATOM 63 CB THR A 6 12.854 5.024 1.845 1.00 0.00 C ATOM 64 OG1 THR A 6 12.608 5.903 2.919 1.00 0.00 O ATOM 65 CG2 THR A 6 13.775 5.702 0.834 1.00 0.00 C ATOM 0 H THR A 6 10.633 6.245 2.192 1.00 0.00 H new ATOM 0 HA THR A 6 11.723 4.455 0.115 1.00 0.00 H new ATOM 0 HB THR A 6 13.329 4.117 2.220 1.00 0.00 H new ATOM 0 HG1 THR A 6 13.455 6.133 3.354 1.00 0.00 H new ATOM 0 HG21 THR A 6 14.718 5.960 1.316 1.00 0.00 H new ATOM 0 HG22 THR A 6 13.966 5.023 0.003 1.00 0.00 H new ATOM 0 HG23 THR A 6 13.300 6.609 0.460 1.00 0.00 H new ATOM 73 N VAL A 7 10.607 2.425 0.970 1.00 0.00 N ATOM 74 CA VAL A 7 10.022 1.188 1.448 1.00 0.00 C ATOM 75 C VAL A 7 11.060 0.075 1.399 1.00 0.00 C ATOM 76 O VAL A 7 11.987 0.124 0.594 1.00 0.00 O ATOM 77 CB VAL A 7 8.810 0.835 0.591 1.00 0.00 C ATOM 78 CG1 VAL A 7 8.068 2.112 0.209 1.00 0.00 C ATOM 79 CG2 VAL A 7 9.273 0.118 -0.674 1.00 0.00 C ATOM 0 H VAL A 7 10.747 2.460 -0.040 1.00 0.00 H new ATOM 0 HA VAL A 7 9.697 1.310 2.481 1.00 0.00 H new ATOM 0 HB VAL A 7 8.144 0.183 1.155 1.00 0.00 H new ATOM 0 HG11 VAL A 7 7.202 1.860 -0.403 1.00 0.00 H new ATOM 0 HG12 VAL A 7 7.737 2.625 1.112 1.00 0.00 H new ATOM 0 HG13 VAL A 7 8.734 2.765 -0.355 1.00 0.00 H new ATOM 0 HG21 VAL A 7 8.408 -0.134 -1.287 1.00 0.00 H new ATOM 0 HG22 VAL A 7 9.939 0.770 -1.239 1.00 0.00 H new ATOM 0 HG23 VAL A 7 9.803 -0.795 -0.402 1.00 0.00 H new ATOM 89 N THR A 8 10.902 -0.930 2.263 1.00 0.00 N ATOM 90 CA THR A 8 11.825 -2.046 2.309 1.00 0.00 C ATOM 91 C THR A 8 11.706 -2.871 1.036 1.00 0.00 C ATOM 92 O THR A 8 10.870 -2.583 0.182 1.00 0.00 O ATOM 93 CB THR A 8 11.527 -2.900 3.538 1.00 0.00 C ATOM 94 OG1 THR A 8 12.739 -3.349 4.103 1.00 0.00 O ATOM 95 CG2 THR A 8 10.681 -4.103 3.128 1.00 0.00 C ATOM 0 H THR A 8 10.139 -0.986 2.938 1.00 0.00 H new ATOM 0 HA THR A 8 12.847 -1.674 2.380 1.00 0.00 H new ATOM 0 HB THR A 8 10.982 -2.305 4.271 1.00 0.00 H new ATOM 0 HG1 THR A 8 12.549 -3.896 4.893 1.00 0.00 H new ATOM 0 HG21 THR A 8 10.468 -4.714 4.005 1.00 0.00 H new ATOM 0 HG22 THR A 8 9.745 -3.757 2.690 1.00 0.00 H new ATOM 0 HG23 THR A 8 11.226 -4.698 2.395 1.00 0.00 H new ATOM 103 N PRO A 9 12.546 -3.901 0.911 1.00 0.00 N ATOM 104 CA PRO A 9 12.577 -4.795 -0.226 1.00 0.00 C ATOM 105 C PRO A 9 11.355 -5.703 -0.195 1.00 0.00 C ATOM 106 O PRO A 9 11.199 -6.506 0.722 1.00 0.00 O ATOM 107 CB PRO A 9 13.862 -5.602 -0.055 1.00 0.00 C ATOM 108 CG PRO A 9 14.035 -5.646 1.462 1.00 0.00 C ATOM 109 CD PRO A 9 13.540 -4.268 1.896 1.00 0.00 C ATOM 0 HA PRO A 9 12.559 -4.268 -1.180 1.00 0.00 H new ATOM 0 HB2 PRO A 9 13.772 -6.601 -0.481 1.00 0.00 H new ATOM 0 HB3 PRO A 9 14.709 -5.122 -0.545 1.00 0.00 H new ATOM 0 HG2 PRO A 9 13.450 -6.447 1.913 1.00 0.00 H new ATOM 0 HG3 PRO A 9 15.074 -5.811 1.747 1.00 0.00 H new ATOM 0 HD2 PRO A 9 13.111 -4.300 2.897 1.00 0.00 H new ATOM 0 HD3 PRO A 9 14.356 -3.546 1.922 1.00 0.00 H new ATOM 117 N SER A 10 10.487 -5.573 -1.201 1.00 0.00 N ATOM 118 CA SER A 10 9.286 -6.380 -1.282 1.00 0.00 C ATOM 119 C SER A 10 9.377 -7.323 -2.473 1.00 0.00 C ATOM 120 O SER A 10 8.398 -7.519 -3.189 1.00 0.00 O ATOM 121 CB SER A 10 8.069 -5.468 -1.406 1.00 0.00 C ATOM 122 OG SER A 10 8.466 -4.225 -1.938 1.00 0.00 O ATOM 0 H SER A 10 10.602 -4.912 -1.969 1.00 0.00 H new ATOM 0 HA SER A 10 9.184 -6.979 -0.377 1.00 0.00 H new ATOM 0 HB2 SER A 10 7.320 -5.929 -2.050 1.00 0.00 H new ATOM 0 HB3 SER A 10 7.606 -5.327 -0.429 1.00 0.00 H new ATOM 0 HG SER A 10 7.684 -3.639 -2.019 1.00 0.00 H new ATOM 128 N SER A 11 10.558 -7.908 -2.684 1.00 0.00 N ATOM 129 CA SER A 11 10.769 -8.828 -3.784 1.00 0.00 C ATOM 130 C SER A 11 11.163 -10.196 -3.246 1.00 0.00 C ATOM 131 O SER A 11 12.291 -10.389 -2.799 1.00 0.00 O ATOM 132 CB SER A 11 11.854 -8.277 -4.705 1.00 0.00 C ATOM 133 OG SER A 11 13.068 -8.177 -3.995 1.00 0.00 O ATOM 0 H SER A 11 11.381 -7.755 -2.101 1.00 0.00 H new ATOM 0 HA SER A 11 9.846 -8.936 -4.354 1.00 0.00 H new ATOM 0 HB2 SER A 11 11.978 -8.930 -5.569 1.00 0.00 H new ATOM 0 HB3 SER A 11 11.561 -7.298 -5.085 1.00 0.00 H new ATOM 0 HG SER A 11 13.158 -8.944 -3.391 1.00 0.00 H new ATOM 139 N GLY A 12 10.229 -11.149 -3.290 1.00 0.00 N ATOM 140 CA GLY A 12 10.487 -12.491 -2.807 1.00 0.00 C ATOM 141 C GLY A 12 10.057 -12.620 -1.353 1.00 0.00 C ATOM 142 O GLY A 12 10.613 -13.424 -0.607 1.00 0.00 O ATOM 0 H GLY A 12 9.288 -11.007 -3.657 1.00 0.00 H new ATOM 0 HA2 GLY A 12 9.948 -13.215 -3.418 1.00 0.00 H new ATOM 0 HA3 GLY A 12 11.548 -12.721 -2.901 1.00 0.00 H new ATOM 146 N LEU A 13 9.063 -11.825 -0.950 1.00 0.00 N ATOM 147 CA LEU A 13 8.564 -11.853 0.410 1.00 0.00 C ATOM 148 C LEU A 13 7.241 -12.606 0.459 1.00 0.00 C ATOM 149 O LEU A 13 6.337 -12.329 -0.326 1.00 0.00 O ATOM 150 CB LEU A 13 8.392 -10.425 0.918 1.00 0.00 C ATOM 151 CG LEU A 13 9.529 -9.556 0.389 1.00 0.00 C ATOM 152 CD1 LEU A 13 9.841 -8.455 1.398 1.00 0.00 C ATOM 153 CD2 LEU A 13 10.771 -10.419 0.177 1.00 0.00 C ATOM 0 H LEU A 13 8.592 -11.154 -1.556 1.00 0.00 H new ATOM 0 HA LEU A 13 9.277 -12.369 1.052 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.432 -10.025 0.592 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.388 -10.413 2.008 1.00 0.00 H new ATOM 0 HG LEU A 13 9.232 -9.106 -0.558 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.653 -7.834 1.020 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.955 -7.839 1.550 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.138 -8.904 2.346 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.584 -9.800 -0.201 1.00 0.00 H new ATOM 0 HD22 LEU A 13 11.068 -10.869 1.125 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.549 -11.206 -0.544 1.00 0.00 H new ATOM 165 N SER A 14 7.130 -13.560 1.386 1.00 0.00 N ATOM 166 CA SER A 14 5.921 -14.345 1.533 1.00 0.00 C ATOM 167 C SER A 14 5.166 -13.902 2.778 1.00 0.00 C ATOM 168 O SER A 14 5.656 -13.073 3.542 1.00 0.00 O ATOM 169 CB SER A 14 6.283 -15.825 1.617 1.00 0.00 C ATOM 170 OG SER A 14 7.012 -16.196 0.468 1.00 0.00 O ATOM 0 H SER A 14 7.871 -13.802 2.044 1.00 0.00 H new ATOM 0 HA SER A 14 5.276 -14.191 0.668 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.874 -16.016 2.513 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.378 -16.428 1.697 1.00 0.00 H new ATOM 0 HG SER A 14 7.246 -17.146 0.522 1.00 0.00 H new ATOM 176 N ASP A 15 3.971 -14.460 2.983 1.00 0.00 N ATOM 177 CA ASP A 15 3.156 -14.122 4.133 1.00 0.00 C ATOM 178 C ASP A 15 3.999 -14.189 5.399 1.00 0.00 C ATOM 179 O ASP A 15 4.824 -15.087 5.550 1.00 0.00 O ATOM 180 CB ASP A 15 1.974 -15.082 4.218 1.00 0.00 C ATOM 181 CG ASP A 15 2.156 -16.069 5.363 1.00 0.00 C ATOM 182 OD1 ASP A 15 2.054 -15.616 6.524 1.00 0.00 O ATOM 183 OD2 ASP A 15 2.394 -17.257 5.056 1.00 0.00 O ATOM 0 H ASP A 15 3.552 -15.150 2.360 1.00 0.00 H new ATOM 0 HA ASP A 15 2.774 -13.107 4.028 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.052 -14.518 4.362 1.00 0.00 H new ATOM 0 HB3 ASP A 15 1.873 -15.624 3.278 1.00 0.00 H new ATOM 188 N GLY A 16 3.790 -13.235 6.310 1.00 0.00 N ATOM 189 CA GLY A 16 4.533 -13.196 7.554 1.00 0.00 C ATOM 190 C GLY A 16 5.604 -12.116 7.495 1.00 0.00 C ATOM 191 O GLY A 16 6.046 -11.619 8.528 1.00 0.00 O ATOM 0 H GLY A 16 3.110 -12.483 6.201 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.855 -13.000 8.385 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.994 -14.166 7.741 1.00 0.00 H new ATOM 195 N THR A 17 6.022 -11.754 6.280 1.00 0.00 N ATOM 196 CA THR A 17 7.037 -10.736 6.097 1.00 0.00 C ATOM 197 C THR A 17 6.414 -9.353 6.224 1.00 0.00 C ATOM 198 O THR A 17 5.232 -9.173 5.941 1.00 0.00 O ATOM 199 CB THR A 17 7.689 -10.910 4.728 1.00 0.00 C ATOM 200 OG1 THR A 17 8.199 -12.220 4.614 1.00 0.00 O ATOM 201 CG2 THR A 17 8.829 -9.906 4.576 1.00 0.00 C ATOM 0 H THR A 17 5.667 -12.156 5.412 1.00 0.00 H new ATOM 0 HA THR A 17 7.802 -10.839 6.867 1.00 0.00 H new ATOM 0 HB THR A 17 6.947 -10.739 3.948 1.00 0.00 H new ATOM 0 HG1 THR A 17 7.519 -12.802 4.216 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.295 -10.030 3.598 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.436 -8.893 4.665 1.00 0.00 H new ATOM 0 HG23 THR A 17 9.571 -10.077 5.356 1.00 0.00 H new ATOM 209 N VAL A 18 7.215 -8.374 6.653 1.00 0.00 N ATOM 210 CA VAL A 18 6.741 -7.015 6.816 1.00 0.00 C ATOM 211 C VAL A 18 7.653 -6.058 6.061 1.00 0.00 C ATOM 212 O VAL A 18 8.872 -6.112 6.209 1.00 0.00 O ATOM 213 CB VAL A 18 6.702 -6.666 8.301 1.00 0.00 C ATOM 214 CG1 VAL A 18 8.126 -6.526 8.830 1.00 0.00 C ATOM 215 CG2 VAL A 18 5.956 -5.348 8.494 1.00 0.00 C ATOM 0 H VAL A 18 8.198 -8.508 6.892 1.00 0.00 H new ATOM 0 HA VAL A 18 5.734 -6.925 6.408 1.00 0.00 H new ATOM 0 HB VAL A 18 6.189 -7.458 8.846 1.00 0.00 H new ATOM 0 HG11 VAL A 18 8.097 -6.277 9.891 1.00 0.00 H new ATOM 0 HG12 VAL A 18 8.659 -7.467 8.693 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.640 -5.734 8.285 1.00 0.00 H new ATOM 0 HG21 VAL A 18 5.928 -5.098 9.555 1.00 0.00 H new ATOM 0 HG22 VAL A 18 6.469 -4.556 7.948 1.00 0.00 H new ATOM 0 HG23 VAL A 18 4.938 -5.448 8.117 1.00 0.00 H new ATOM 225 N VAL A 19 7.058 -5.180 5.250 1.00 0.00 N ATOM 226 CA VAL A 19 7.817 -4.217 4.477 1.00 0.00 C ATOM 227 C VAL A 19 7.873 -2.890 5.221 1.00 0.00 C ATOM 228 O VAL A 19 7.183 -2.708 6.221 1.00 0.00 O ATOM 229 CB VAL A 19 7.170 -4.043 3.107 1.00 0.00 C ATOM 230 CG1 VAL A 19 7.382 -5.307 2.279 1.00 0.00 C ATOM 231 CG2 VAL A 19 5.675 -3.792 3.279 1.00 0.00 C ATOM 0 H VAL A 19 6.048 -5.123 5.117 1.00 0.00 H new ATOM 0 HA VAL A 19 8.837 -4.577 4.339 1.00 0.00 H new ATOM 0 HB VAL A 19 7.625 -3.194 2.596 1.00 0.00 H new ATOM 0 HG11 VAL A 19 6.919 -5.182 1.300 1.00 0.00 H new ATOM 0 HG12 VAL A 19 8.450 -5.486 2.156 1.00 0.00 H new ATOM 0 HG13 VAL A 19 6.928 -6.157 2.789 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.212 -3.668 2.300 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.220 -4.640 3.790 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.523 -2.889 3.870 1.00 0.00 H new ATOM 241 N LYS A 20 8.697 -1.962 4.729 1.00 0.00 N ATOM 242 CA LYS A 20 8.837 -0.660 5.349 1.00 0.00 C ATOM 243 C LYS A 20 8.367 0.424 4.388 1.00 0.00 C ATOM 244 O LYS A 20 8.489 0.276 3.174 1.00 0.00 O ATOM 245 CB LYS A 20 10.294 -0.438 5.742 1.00 0.00 C ATOM 246 CG LYS A 20 10.355 0.374 7.033 1.00 0.00 C ATOM 247 CD LYS A 20 10.328 1.863 6.700 1.00 0.00 C ATOM 248 CE LYS A 20 11.755 2.399 6.650 1.00 0.00 C ATOM 249 NZ LYS A 20 12.156 2.955 7.951 1.00 0.00 N ATOM 0 H LYS A 20 9.275 -2.097 3.900 1.00 0.00 H new ATOM 0 HA LYS A 20 8.221 -0.614 6.247 1.00 0.00 H new ATOM 0 HB2 LYS A 20 10.795 -1.396 5.879 1.00 0.00 H new ATOM 0 HB3 LYS A 20 10.821 0.086 4.945 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.512 0.119 7.676 1.00 0.00 H new ATOM 0 HG3 LYS A 20 11.262 0.131 7.586 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.834 2.023 5.742 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.751 2.404 7.450 1.00 0.00 H new ATOM 0 HE2 LYS A 20 12.438 1.598 6.367 1.00 0.00 H new ATOM 0 HE3 LYS A 20 11.831 3.169 5.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 13.131 3.313 7.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 11.517 3.734 8.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 12.105 2.212 8.677 1.00 0.00 H new ATOM 263 N VAL A 21 7.828 1.516 4.936 1.00 0.00 N ATOM 264 CA VAL A 21 7.344 2.617 4.129 1.00 0.00 C ATOM 265 C VAL A 21 7.638 3.936 4.828 1.00 0.00 C ATOM 266 O VAL A 21 6.982 4.281 5.809 1.00 0.00 O ATOM 267 CB VAL A 21 5.845 2.452 3.893 1.00 0.00 C ATOM 268 CG1 VAL A 21 5.074 3.163 5.001 1.00 0.00 C ATOM 269 CG2 VAL A 21 5.474 3.061 2.543 1.00 0.00 C ATOM 0 H VAL A 21 7.720 1.653 5.941 1.00 0.00 H new ATOM 0 HA VAL A 21 7.852 2.618 3.165 1.00 0.00 H new ATOM 0 HB VAL A 21 5.590 1.392 3.897 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.004 3.045 4.833 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.340 2.729 5.965 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.327 4.223 4.998 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.404 2.944 2.373 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.728 4.121 2.540 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.025 2.553 1.751 1.00 0.00 H new ATOM 279 N ALA A 22 8.628 4.675 4.320 1.00 0.00 N ATOM 280 CA ALA A 22 9.004 5.950 4.898 1.00 0.00 C ATOM 281 C ALA A 22 8.814 7.057 3.871 1.00 0.00 C ATOM 282 O ALA A 22 9.483 7.072 2.840 1.00 0.00 O ATOM 283 CB ALA A 22 10.456 5.888 5.363 1.00 0.00 C ATOM 0 H ALA A 22 9.180 4.403 3.507 1.00 0.00 H new ATOM 0 HA ALA A 22 8.370 6.166 5.758 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.740 6.846 5.798 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.565 5.103 6.112 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.102 5.670 4.512 1.00 0.00 H new ATOM 289 N GLY A 23 7.897 7.985 4.152 1.00 0.00 N ATOM 290 CA GLY A 23 7.627 9.087 3.250 1.00 0.00 C ATOM 291 C GLY A 23 8.601 10.229 3.506 1.00 0.00 C ATOM 292 O GLY A 23 8.950 10.505 4.652 1.00 0.00 O ATOM 0 H GLY A 23 7.332 7.988 5.001 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.714 8.750 2.217 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.603 9.435 3.387 1.00 0.00 H new ATOM 296 N ALA A 24 9.038 10.893 2.434 1.00 0.00 N ATOM 297 CA ALA A 24 9.968 11.999 2.547 1.00 0.00 C ATOM 298 C ALA A 24 9.535 13.132 1.628 1.00 0.00 C ATOM 299 O ALA A 24 9.578 12.996 0.407 1.00 0.00 O ATOM 300 CB ALA A 24 11.372 11.520 2.189 1.00 0.00 C ATOM 0 H ALA A 24 8.757 10.677 1.478 1.00 0.00 H new ATOM 0 HA ALA A 24 9.975 12.371 3.572 1.00 0.00 H new ATOM 0 HB1 ALA A 24 12.072 12.351 2.274 1.00 0.00 H new ATOM 0 HB2 ALA A 24 11.670 10.724 2.871 1.00 0.00 H new ATOM 0 HB3 ALA A 24 11.378 11.143 1.166 1.00 0.00 H new ATOM 306 N GLY A 25 9.115 14.255 2.217 1.00 0.00 N ATOM 307 CA GLY A 25 8.678 15.401 1.446 1.00 0.00 C ATOM 308 C GLY A 25 7.157 15.467 1.415 1.00 0.00 C ATOM 309 O GLY A 25 6.576 16.027 0.489 1.00 0.00 O ATOM 0 H GLY A 25 9.072 14.386 3.228 1.00 0.00 H new ATOM 0 HA2 GLY A 25 9.080 16.316 1.882 1.00 0.00 H new ATOM 0 HA3 GLY A 25 9.067 15.334 0.430 1.00 0.00 H new ATOM 313 N LEU A 26 6.513 14.893 2.434 1.00 0.00 N ATOM 314 CA LEU A 26 5.067 14.888 2.521 1.00 0.00 C ATOM 315 C LEU A 26 4.592 16.106 3.300 1.00 0.00 C ATOM 316 O LEU A 26 5.347 17.057 3.491 1.00 0.00 O ATOM 317 CB LEU A 26 4.602 13.601 3.194 1.00 0.00 C ATOM 318 CG LEU A 26 5.607 12.488 2.912 1.00 0.00 C ATOM 319 CD1 LEU A 26 4.883 11.145 2.877 1.00 0.00 C ATOM 320 CD2 LEU A 26 6.279 12.739 1.566 1.00 0.00 C ATOM 0 H LEU A 26 6.981 14.425 3.210 1.00 0.00 H new ATOM 0 HA LEU A 26 4.640 14.933 1.519 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.505 13.754 4.269 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.617 13.319 2.822 1.00 0.00 H new ATOM 0 HG LEU A 26 6.362 12.473 3.698 1.00 0.00 H new ATOM 0 HD11 LEU A 26 5.601 10.350 2.676 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.403 10.965 3.839 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.127 11.159 2.091 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.997 11.944 1.364 1.00 0.00 H new ATOM 0 HD22 LEU A 26 5.524 12.755 0.780 1.00 0.00 H new ATOM 0 HD23 LEU A 26 6.797 13.698 1.591 1.00 0.00 H new ATOM 332 N GLN A 27 3.336 16.076 3.751 1.00 0.00 N ATOM 333 CA GLN A 27 2.768 17.176 4.505 1.00 0.00 C ATOM 334 C GLN A 27 3.034 16.975 5.991 1.00 0.00 C ATOM 335 O GLN A 27 2.690 15.936 6.550 1.00 0.00 O ATOM 336 CB GLN A 27 1.269 17.258 4.231 1.00 0.00 C ATOM 337 CG GLN A 27 1.039 17.685 2.784 1.00 0.00 C ATOM 338 CD GLN A 27 -0.438 17.612 2.424 1.00 0.00 C ATOM 339 OE1 GLN A 27 -1.082 18.640 2.226 1.00 0.00 O ATOM 340 NE2 GLN A 27 -0.974 16.392 2.342 1.00 0.00 N ATOM 0 H GLN A 27 2.697 15.295 3.602 1.00 0.00 H new ATOM 0 HA GLN A 27 3.233 18.112 4.196 1.00 0.00 H new ATOM 0 HB2 GLN A 27 0.801 16.291 4.415 1.00 0.00 H new ATOM 0 HB3 GLN A 27 0.803 17.971 4.910 1.00 0.00 H new ATOM 0 HG2 GLN A 27 1.403 18.702 2.639 1.00 0.00 H new ATOM 0 HG3 GLN A 27 1.612 17.043 2.116 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -0.397 15.569 2.515 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -1.960 16.283 2.106 1.00 0.00 H new ATOM 349 N ALA A 28 3.647 17.974 6.629 1.00 0.00 N ATOM 350 CA ALA A 28 3.956 17.902 8.043 1.00 0.00 C ATOM 351 C ALA A 28 2.679 18.052 8.858 1.00 0.00 C ATOM 352 O ALA A 28 1.868 18.935 8.587 1.00 0.00 O ATOM 353 CB ALA A 28 4.957 18.997 8.400 1.00 0.00 C ATOM 0 H ALA A 28 3.937 18.842 6.179 1.00 0.00 H new ATOM 0 HA ALA A 28 4.399 16.933 8.274 1.00 0.00 H new ATOM 0 HB1 ALA A 28 5.190 18.944 9.463 1.00 0.00 H new ATOM 0 HB2 ALA A 28 5.870 18.858 7.821 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.527 19.972 8.171 1.00 0.00 H new ATOM 359 N GLY A 29 2.500 17.186 9.858 1.00 0.00 N ATOM 360 CA GLY A 29 1.323 17.230 10.701 1.00 0.00 C ATOM 361 C GLY A 29 0.122 16.660 9.961 1.00 0.00 C ATOM 362 O GLY A 29 -1.006 16.750 10.441 1.00 0.00 O ATOM 0 H GLY A 29 3.162 16.448 10.097 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.500 16.661 11.614 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.120 18.258 11.000 1.00 0.00 H new ATOM 366 N THR A 30 0.365 16.072 8.788 1.00 0.00 N ATOM 367 CA THR A 30 -0.697 15.492 7.991 1.00 0.00 C ATOM 368 C THR A 30 -0.748 13.987 8.212 1.00 0.00 C ATOM 369 O THR A 30 0.284 13.320 8.205 1.00 0.00 O ATOM 370 CB THR A 30 -0.462 15.814 6.519 1.00 0.00 C ATOM 371 OG1 THR A 30 -1.402 16.775 6.092 1.00 0.00 O ATOM 372 CG2 THR A 30 -0.620 14.544 5.688 1.00 0.00 C ATOM 0 H THR A 30 1.294 15.989 8.375 1.00 0.00 H new ATOM 0 HA THR A 30 -1.655 15.915 8.294 1.00 0.00 H new ATOM 0 HB THR A 30 0.546 16.209 6.390 1.00 0.00 H new ATOM 0 HG1 THR A 30 -1.250 16.983 5.147 1.00 0.00 H new ATOM 0 HG21 THR A 30 -0.452 14.774 4.636 1.00 0.00 H new ATOM 0 HG22 THR A 30 0.106 13.801 6.017 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.627 14.148 5.816 1.00 0.00 H new ATOM 380 N ALA A 31 -1.956 13.453 8.408 1.00 0.00 N ATOM 381 CA ALA A 31 -2.137 12.032 8.630 1.00 0.00 C ATOM 382 C ALA A 31 -2.179 11.303 7.295 1.00 0.00 C ATOM 383 O ALA A 31 -2.572 11.879 6.283 1.00 0.00 O ATOM 384 CB ALA A 31 -3.425 11.801 9.415 1.00 0.00 C ATOM 0 H ALA A 31 -2.821 13.993 8.416 1.00 0.00 H new ATOM 0 HA ALA A 31 -1.300 11.640 9.208 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.562 10.733 9.583 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.363 12.314 10.375 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.271 12.191 8.849 1.00 0.00 H new ATOM 390 N TYR A 32 -1.774 10.031 7.294 1.00 0.00 N ATOM 391 CA TYR A 32 -1.767 9.234 6.084 1.00 0.00 C ATOM 392 C TYR A 32 -2.272 7.831 6.387 1.00 0.00 C ATOM 393 O TYR A 32 -2.023 7.299 7.467 1.00 0.00 O ATOM 394 CB TYR A 32 -0.352 9.188 5.515 1.00 0.00 C ATOM 395 CG TYR A 32 0.027 10.427 4.740 1.00 0.00 C ATOM 396 CD1 TYR A 32 -0.554 10.677 3.491 1.00 0.00 C ATOM 397 CD2 TYR A 32 0.960 11.326 5.270 1.00 0.00 C ATOM 398 CE1 TYR A 32 -0.204 11.826 2.773 1.00 0.00 C ATOM 399 CE2 TYR A 32 1.311 12.476 4.552 1.00 0.00 C ATOM 400 CZ TYR A 32 0.729 12.725 3.303 1.00 0.00 C ATOM 401 OH TYR A 32 1.070 13.845 2.603 1.00 0.00 O ATOM 0 H TYR A 32 -1.447 9.537 8.125 1.00 0.00 H new ATOM 0 HA TYR A 32 -2.428 9.684 5.344 1.00 0.00 H new ATOM 0 HB2 TYR A 32 0.355 9.050 6.333 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -0.259 8.319 4.863 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -1.273 9.983 3.081 1.00 0.00 H new ATOM 0 HD2 TYR A 32 1.409 11.133 6.233 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -0.654 12.019 1.810 1.00 0.00 H new ATOM 0 HE2 TYR A 32 2.030 13.170 4.961 1.00 0.00 H new ATOM 0 HH TYR A 32 0.575 13.866 1.757 1.00 0.00 H new ATOM 411 N ASP A 33 -2.984 7.231 5.431 1.00 0.00 N ATOM 412 CA ASP A 33 -3.521 5.895 5.601 1.00 0.00 C ATOM 413 C ASP A 33 -2.779 4.923 4.694 1.00 0.00 C ATOM 414 O ASP A 33 -2.744 5.108 3.480 1.00 0.00 O ATOM 415 CB ASP A 33 -5.013 5.903 5.280 1.00 0.00 C ATOM 416 CG ASP A 33 -5.488 4.516 4.872 1.00 0.00 C ATOM 417 OD1 ASP A 33 -5.832 3.741 5.790 1.00 0.00 O ATOM 418 OD2 ASP A 33 -5.498 4.256 3.649 1.00 0.00 O ATOM 0 H ASP A 33 -3.198 7.658 4.530 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.387 5.573 6.634 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.575 6.243 6.150 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -5.212 6.611 4.476 1.00 0.00 H new ATOM 423 N VAL A 34 -2.184 3.886 5.288 1.00 0.00 N ATOM 424 CA VAL A 34 -1.447 2.892 4.533 1.00 0.00 C ATOM 425 C VAL A 34 -2.292 1.636 4.374 1.00 0.00 C ATOM 426 O VAL A 34 -3.116 1.328 5.232 1.00 0.00 O ATOM 427 CB VAL A 34 -0.138 2.577 5.251 1.00 0.00 C ATOM 428 CG1 VAL A 34 0.921 2.177 4.228 1.00 0.00 C ATOM 429 CG2 VAL A 34 0.333 3.812 6.015 1.00 0.00 C ATOM 0 H VAL A 34 -2.203 3.720 6.294 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.217 3.279 3.540 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.296 1.755 5.950 1.00 0.00 H new ATOM 0 HG11 VAL A 34 1.856 1.952 4.741 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.585 1.295 3.683 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.079 2.998 3.528 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.268 3.588 6.528 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.491 4.634 5.316 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.423 4.097 6.747 1.00 0.00 H new ATOM 439 N GLY A 35 -2.085 0.910 3.273 1.00 0.00 N ATOM 440 CA GLY A 35 -2.829 -0.307 3.013 1.00 0.00 C ATOM 441 C GLY A 35 -2.269 -1.015 1.787 1.00 0.00 C ATOM 442 O GLY A 35 -1.803 -0.369 0.852 1.00 0.00 O ATOM 0 H GLY A 35 -1.406 1.151 2.551 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.775 -0.967 3.879 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.882 -0.072 2.857 1.00 0.00 H new ATOM 446 N GLN A 36 -2.316 -2.349 1.795 1.00 0.00 N ATOM 447 CA GLN A 36 -1.814 -3.138 0.687 1.00 0.00 C ATOM 448 C GLN A 36 -2.943 -3.431 -0.291 1.00 0.00 C ATOM 449 O GLN A 36 -3.903 -4.117 0.053 1.00 0.00 O ATOM 450 CB GLN A 36 -1.210 -4.433 1.220 1.00 0.00 C ATOM 451 CG GLN A 36 -1.257 -5.503 0.133 1.00 0.00 C ATOM 452 CD GLN A 36 -0.716 -6.828 0.650 1.00 0.00 C ATOM 453 OE1 GLN A 36 -1.358 -7.488 1.464 1.00 0.00 O ATOM 454 NE2 GLN A 36 0.471 -7.215 0.177 1.00 0.00 N ATOM 0 H GLN A 36 -2.700 -2.900 2.563 1.00 0.00 H new ATOM 0 HA GLN A 36 -1.039 -2.581 0.160 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -0.180 -4.264 1.534 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -1.760 -4.768 2.099 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -2.283 -5.634 -0.210 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -0.673 -5.178 -0.728 1.00 0.00 H new ATOM 0 HE21 GLN A 36 0.966 -6.632 -0.498 1.00 0.00 H new ATOM 0 HE22 GLN A 36 0.883 -8.094 0.491 1.00 0.00 H new ATOM 463 N CYS A 37 -2.825 -2.910 -1.515 1.00 0.00 N ATOM 464 CA CYS A 37 -3.832 -3.118 -2.535 1.00 0.00 C ATOM 465 C CYS A 37 -3.347 -4.163 -3.531 1.00 0.00 C ATOM 466 O CYS A 37 -2.159 -4.471 -3.580 1.00 0.00 O ATOM 467 CB CYS A 37 -4.124 -1.796 -3.238 1.00 0.00 C ATOM 468 SG CYS A 37 -5.631 -0.974 -2.663 1.00 0.00 S ATOM 0 H CYS A 37 -2.035 -2.340 -1.816 1.00 0.00 H new ATOM 0 HA CYS A 37 -4.752 -3.480 -2.076 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.278 -1.124 -3.093 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -4.207 -1.977 -4.310 1.00 0.00 H new ATOM 473 N ALA A 38 -4.272 -4.707 -4.326 1.00 0.00 N ATOM 474 CA ALA A 38 -3.935 -5.712 -5.313 1.00 0.00 C ATOM 475 C ALA A 38 -4.878 -5.602 -6.503 1.00 0.00 C ATOM 476 O ALA A 38 -6.093 -5.532 -6.331 1.00 0.00 O ATOM 477 CB ALA A 38 -4.025 -7.097 -4.678 1.00 0.00 C ATOM 0 H ALA A 38 -5.261 -4.461 -4.298 1.00 0.00 H new ATOM 0 HA ALA A 38 -2.916 -5.554 -5.666 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.772 -7.854 -5.420 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.328 -7.160 -3.842 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.040 -7.267 -4.318 1.00 0.00 H new ATOM 483 N TRP A 39 -4.316 -5.587 -7.714 1.00 0.00 N ATOM 484 CA TRP A 39 -5.111 -5.486 -8.921 1.00 0.00 C ATOM 485 C TRP A 39 -5.939 -6.751 -9.103 1.00 0.00 C ATOM 486 O TRP A 39 -5.395 -7.853 -9.130 1.00 0.00 O ATOM 487 CB TRP A 39 -4.191 -5.265 -10.118 1.00 0.00 C ATOM 488 CG TRP A 39 -4.729 -5.755 -11.425 1.00 0.00 C ATOM 489 CD1 TRP A 39 -6.037 -5.825 -11.753 1.00 0.00 C ATOM 490 CD2 TRP A 39 -3.999 -6.248 -12.589 1.00 0.00 C ATOM 491 NE1 TRP A 39 -6.166 -6.324 -13.032 1.00 0.00 N ATOM 492 CE2 TRP A 39 -4.937 -6.603 -13.595 1.00 0.00 C ATOM 493 CE3 TRP A 39 -2.639 -6.433 -12.898 1.00 0.00 C ATOM 494 CZ2 TRP A 39 -4.551 -7.112 -14.838 1.00 0.00 C ATOM 495 CZ3 TRP A 39 -2.240 -6.943 -14.142 1.00 0.00 C ATOM 496 CH2 TRP A 39 -3.191 -7.283 -15.112 1.00 0.00 C ATOM 0 H TRP A 39 -3.311 -5.644 -7.876 1.00 0.00 H new ATOM 0 HA TRP A 39 -5.792 -4.639 -8.841 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -3.982 -4.199 -10.205 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -3.240 -5.762 -9.924 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -6.856 -5.535 -11.112 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -7.059 -6.469 -13.504 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -1.889 -6.178 -12.164 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -5.294 -7.370 -15.578 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -1.189 -7.075 -14.354 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -2.875 -7.675 -16.067 1.00 0.00 H new ATOM 507 N VAL A 40 -7.258 -6.588 -9.229 1.00 0.00 N ATOM 508 CA VAL A 40 -8.153 -7.714 -9.407 1.00 0.00 C ATOM 509 C VAL A 40 -8.739 -7.687 -10.812 1.00 0.00 C ATOM 510 O VAL A 40 -8.852 -8.726 -11.459 1.00 0.00 O ATOM 511 CB VAL A 40 -9.260 -7.654 -8.358 1.00 0.00 C ATOM 512 CG1 VAL A 40 -8.737 -8.208 -7.036 1.00 0.00 C ATOM 513 CG2 VAL A 40 -9.699 -6.205 -8.164 1.00 0.00 C ATOM 0 H VAL A 40 -7.723 -5.680 -9.210 1.00 0.00 H new ATOM 0 HA VAL A 40 -7.602 -8.646 -9.281 1.00 0.00 H new ATOM 0 HB VAL A 40 -10.110 -8.250 -8.691 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -9.527 -8.166 -6.286 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -8.423 -9.243 -7.174 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -7.887 -7.612 -6.702 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -10.490 -6.162 -7.415 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -8.850 -5.609 -7.830 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -10.072 -5.808 -9.108 1.00 0.00 H new ATOM 523 N ASP A 41 -9.113 -6.495 -11.282 1.00 0.00 N ATOM 524 CA ASP A 41 -9.685 -6.341 -12.605 1.00 0.00 C ATOM 525 C ASP A 41 -9.258 -5.005 -13.198 1.00 0.00 C ATOM 526 O ASP A 41 -8.514 -4.255 -12.570 1.00 0.00 O ATOM 527 CB ASP A 41 -11.206 -6.431 -12.514 1.00 0.00 C ATOM 528 CG ASP A 41 -11.753 -7.420 -13.533 1.00 0.00 C ATOM 529 OD1 ASP A 41 -11.353 -7.302 -14.711 1.00 0.00 O ATOM 530 OD2 ASP A 41 -12.563 -8.276 -13.114 1.00 0.00 O ATOM 0 H ASP A 41 -9.026 -5.624 -10.758 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.326 -7.137 -13.257 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -11.497 -6.739 -11.510 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -11.643 -5.447 -12.685 1.00 0.00 H new ATOM 535 N THR A 42 -9.730 -4.709 -14.411 1.00 0.00 N ATOM 536 CA THR A 42 -9.393 -3.467 -15.076 1.00 0.00 C ATOM 537 C THR A 42 -9.968 -2.291 -14.301 1.00 0.00 C ATOM 538 O THR A 42 -11.183 -2.112 -14.248 1.00 0.00 O ATOM 539 CB THR A 42 -9.936 -3.492 -16.502 1.00 0.00 C ATOM 540 OG1 THR A 42 -9.158 -2.642 -17.316 1.00 0.00 O ATOM 541 CG2 THR A 42 -11.384 -3.011 -16.504 1.00 0.00 C ATOM 0 H THR A 42 -10.347 -5.320 -14.946 1.00 0.00 H new ATOM 0 HA THR A 42 -8.310 -3.354 -15.114 1.00 0.00 H new ATOM 0 HB THR A 42 -9.891 -4.510 -16.890 1.00 0.00 H new ATOM 0 HG1 THR A 42 -9.505 -2.659 -18.232 1.00 0.00 H new ATOM 0 HG21 THR A 42 -11.772 -3.029 -17.522 1.00 0.00 H new ATOM 0 HG22 THR A 42 -11.986 -3.667 -15.875 1.00 0.00 H new ATOM 0 HG23 THR A 42 -11.430 -1.993 -16.116 1.00 0.00 H new ATOM 549 N GLY A 43 -9.091 -1.486 -13.697 1.00 0.00 N ATOM 550 CA GLY A 43 -9.519 -0.333 -12.929 1.00 0.00 C ATOM 551 C GLY A 43 -10.187 -0.779 -11.636 1.00 0.00 C ATOM 552 O GLY A 43 -10.750 0.038 -10.912 1.00 0.00 O ATOM 0 H GLY A 43 -8.080 -1.619 -13.730 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.662 0.301 -12.704 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -10.213 0.267 -13.517 1.00 0.00 H new ATOM 556 N VAL A 44 -10.123 -2.081 -11.349 1.00 0.00 N ATOM 557 CA VAL A 44 -10.721 -2.630 -10.148 1.00 0.00 C ATOM 558 C VAL A 44 -9.628 -3.092 -9.194 1.00 0.00 C ATOM 559 O VAL A 44 -9.004 -4.126 -9.417 1.00 0.00 O ATOM 560 CB VAL A 44 -11.639 -3.790 -10.522 1.00 0.00 C ATOM 561 CG1 VAL A 44 -12.336 -4.311 -9.268 1.00 0.00 C ATOM 562 CG2 VAL A 44 -12.685 -3.308 -11.522 1.00 0.00 C ATOM 0 H VAL A 44 -9.659 -2.771 -11.940 1.00 0.00 H new ATOM 0 HA VAL A 44 -11.313 -1.863 -9.648 1.00 0.00 H new ATOM 0 HB VAL A 44 -11.050 -4.590 -10.970 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -12.992 -5.140 -9.534 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -11.589 -4.655 -8.553 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -12.926 -3.511 -8.820 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -13.341 -4.136 -11.790 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -13.275 -2.508 -11.075 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -12.188 -2.935 -12.417 1.00 0.00 H new ATOM 572 N LEU A 45 -9.399 -2.321 -8.128 1.00 0.00 N ATOM 573 CA LEU A 45 -8.385 -2.655 -7.147 1.00 0.00 C ATOM 574 C LEU A 45 -9.047 -3.119 -5.858 1.00 0.00 C ATOM 575 O LEU A 45 -10.176 -2.733 -5.563 1.00 0.00 O ATOM 576 CB LEU A 45 -7.503 -1.435 -6.893 1.00 0.00 C ATOM 577 CG LEU A 45 -6.170 -1.613 -7.614 1.00 0.00 C ATOM 578 CD1 LEU A 45 -5.526 -0.248 -7.836 1.00 0.00 C ATOM 579 CD2 LEU A 45 -5.245 -2.481 -6.767 1.00 0.00 C ATOM 0 H LEU A 45 -9.908 -1.460 -7.929 1.00 0.00 H new ATOM 0 HA LEU A 45 -7.762 -3.466 -7.524 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.002 -0.532 -7.246 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.336 -1.310 -5.823 1.00 0.00 H new ATOM 0 HG LEU A 45 -6.339 -2.096 -8.577 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.574 -0.374 -8.351 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -6.187 0.372 -8.442 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.357 0.235 -6.874 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.293 -2.608 -7.282 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.075 -2.000 -5.804 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.705 -3.456 -6.609 1.00 0.00 H new ATOM 591 N ALA A 46 -8.341 -3.951 -5.089 1.00 0.00 N ATOM 592 CA ALA A 46 -8.862 -4.464 -3.838 1.00 0.00 C ATOM 593 C ALA A 46 -7.856 -4.221 -2.722 1.00 0.00 C ATOM 594 O ALA A 46 -6.684 -4.568 -2.854 1.00 0.00 O ATOM 595 CB ALA A 46 -9.158 -5.954 -3.984 1.00 0.00 C ATOM 0 H ALA A 46 -7.403 -4.280 -5.320 1.00 0.00 H new ATOM 0 HA ALA A 46 -9.787 -3.946 -3.585 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.550 -6.341 -3.043 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -9.895 -6.103 -4.773 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.240 -6.484 -4.240 1.00 0.00 H new ATOM 601 N CYS A 47 -8.316 -3.622 -1.621 1.00 0.00 N ATOM 602 CA CYS A 47 -7.457 -3.336 -0.490 1.00 0.00 C ATOM 603 C CYS A 47 -7.776 -4.289 0.653 1.00 0.00 C ATOM 604 O CYS A 47 -8.888 -4.803 0.743 1.00 0.00 O ATOM 605 CB CYS A 47 -7.655 -1.886 -0.057 1.00 0.00 C ATOM 606 SG CYS A 47 -6.428 -0.741 -0.737 1.00 0.00 S ATOM 0 H CYS A 47 -9.285 -3.328 -1.497 1.00 0.00 H new ATOM 0 HA CYS A 47 -6.414 -3.478 -0.774 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -8.650 -1.559 -0.361 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -7.621 -1.835 1.031 1.00 0.00 H new ATOM 611 N ASN A 48 -6.796 -4.523 1.529 1.00 0.00 N ATOM 612 CA ASN A 48 -6.979 -5.412 2.659 1.00 0.00 C ATOM 613 C ASN A 48 -6.852 -4.630 3.959 1.00 0.00 C ATOM 614 O ASN A 48 -5.772 -4.150 4.295 1.00 0.00 O ATOM 615 CB ASN A 48 -5.943 -6.530 2.598 1.00 0.00 C ATOM 616 CG ASN A 48 -5.904 -7.308 3.906 1.00 0.00 C ATOM 617 OD1 ASN A 48 -6.865 -7.285 4.671 1.00 0.00 O ATOM 618 ND2 ASN A 48 -4.791 -7.998 4.159 1.00 0.00 N ATOM 0 H ASN A 48 -5.868 -4.104 1.470 1.00 0.00 H new ATOM 0 HA ASN A 48 -7.975 -5.854 2.621 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -6.179 -7.205 1.776 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -4.959 -6.108 2.392 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -4.711 -8.539 5.020 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -4.020 -7.985 3.491 1.00 0.00 H new ATOM 625 N PRO A 49 -7.962 -4.504 4.691 1.00 0.00 N ATOM 626 CA PRO A 49 -8.031 -3.800 5.953 1.00 0.00 C ATOM 627 C PRO A 49 -7.327 -4.612 7.030 1.00 0.00 C ATOM 628 O PRO A 49 -7.263 -4.193 8.184 1.00 0.00 O ATOM 629 CB PRO A 49 -9.523 -3.674 6.250 1.00 0.00 C ATOM 630 CG PRO A 49 -10.108 -4.917 5.580 1.00 0.00 C ATOM 631 CD PRO A 49 -9.248 -5.056 4.325 1.00 0.00 C ATOM 0 HA PRO A 49 -7.545 -2.825 5.922 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -9.722 -3.660 7.322 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -9.942 -2.757 5.836 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -10.034 -5.795 6.221 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -11.163 -4.788 5.336 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -9.158 -6.099 4.021 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -9.685 -4.516 3.485 1.00 0.00 H new ATOM 639 N ALA A 50 -6.799 -5.778 6.652 1.00 0.00 N ATOM 640 CA ALA A 50 -6.107 -6.643 7.585 1.00 0.00 C ATOM 641 C ALA A 50 -4.619 -6.323 7.578 1.00 0.00 C ATOM 642 O ALA A 50 -3.880 -6.777 8.450 1.00 0.00 O ATOM 643 CB ALA A 50 -6.348 -8.101 7.202 1.00 0.00 C ATOM 0 H ALA A 50 -6.843 -6.139 5.699 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.490 -6.478 8.592 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.827 -8.752 7.904 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.417 -8.314 7.234 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.972 -8.279 6.194 1.00 0.00 H new ATOM 649 N ASP A 51 -4.179 -5.539 6.591 1.00 0.00 N ATOM 650 CA ASP A 51 -2.784 -5.164 6.476 1.00 0.00 C ATOM 651 C ASP A 51 -2.670 -3.660 6.279 1.00 0.00 C ATOM 652 O ASP A 51 -1.709 -3.182 5.680 1.00 0.00 O ATOM 653 CB ASP A 51 -2.153 -5.913 5.306 1.00 0.00 C ATOM 654 CG ASP A 51 -2.913 -5.646 4.015 1.00 0.00 C ATOM 655 OD1 ASP A 51 -3.490 -4.541 3.915 1.00 0.00 O ATOM 656 OD2 ASP A 51 -2.903 -6.550 3.153 1.00 0.00 O ATOM 0 H ASP A 51 -4.779 -5.154 5.861 1.00 0.00 H new ATOM 0 HA ASP A 51 -2.254 -5.431 7.390 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -1.114 -5.606 5.191 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -2.148 -6.983 5.515 1.00 0.00 H new ATOM 661 N PHE A 52 -3.654 -2.912 6.784 1.00 0.00 N ATOM 662 CA PHE A 52 -3.656 -1.468 6.660 1.00 0.00 C ATOM 663 C PHE A 52 -3.247 -0.835 7.982 1.00 0.00 C ATOM 664 O PHE A 52 -3.946 -0.978 8.983 1.00 0.00 O ATOM 665 CB PHE A 52 -5.046 -0.997 6.241 1.00 0.00 C ATOM 666 CG PHE A 52 -5.811 -0.315 7.349 1.00 0.00 C ATOM 667 CD1 PHE A 52 -5.341 0.890 7.885 1.00 0.00 C ATOM 668 CD2 PHE A 52 -6.988 -0.889 7.844 1.00 0.00 C ATOM 669 CE1 PHE A 52 -6.049 1.522 8.914 1.00 0.00 C ATOM 670 CE2 PHE A 52 -7.696 -0.257 8.874 1.00 0.00 C ATOM 671 CZ PHE A 52 -7.226 0.949 9.409 1.00 0.00 C ATOM 0 H PHE A 52 -4.458 -3.292 7.283 1.00 0.00 H new ATOM 0 HA PHE A 52 -2.938 -1.163 5.898 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -4.950 -0.310 5.400 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.620 -1.854 5.888 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.432 1.332 7.504 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -7.350 -1.819 7.432 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.687 2.452 9.326 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -8.604 -0.700 9.256 1.00 0.00 H new ATOM 0 HZ PHE A 52 -7.772 1.437 10.203 1.00 0.00 H new ATOM 681 N SER A 53 -2.112 -0.133 7.984 1.00 0.00 N ATOM 682 CA SER A 53 -1.618 0.517 9.181 1.00 0.00 C ATOM 683 C SER A 53 -1.954 2.001 9.138 1.00 0.00 C ATOM 684 O SER A 53 -2.663 2.454 8.242 1.00 0.00 O ATOM 685 CB SER A 53 -0.111 0.306 9.289 1.00 0.00 C ATOM 686 OG SER A 53 0.395 1.071 10.360 1.00 0.00 O ATOM 0 H SER A 53 -1.522 -0.005 7.162 1.00 0.00 H new ATOM 0 HA SER A 53 -2.096 0.082 10.059 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.109 -0.750 9.447 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.375 0.597 8.358 1.00 0.00 H new ATOM 0 HG SER A 53 1.127 1.639 10.040 1.00 0.00 H new ATOM 692 N SER A 54 -1.440 2.759 10.109 1.00 0.00 N ATOM 693 CA SER A 54 -1.685 4.186 10.175 1.00 0.00 C ATOM 694 C SER A 54 -0.470 4.893 10.760 1.00 0.00 C ATOM 695 O SER A 54 0.297 4.294 11.511 1.00 0.00 O ATOM 696 CB SER A 54 -2.925 4.449 11.025 1.00 0.00 C ATOM 697 OG SER A 54 -2.548 4.576 12.378 1.00 0.00 O ATOM 0 H SER A 54 -0.850 2.399 10.859 1.00 0.00 H new ATOM 0 HA SER A 54 -1.858 4.576 9.172 1.00 0.00 H new ATOM 0 HB2 SER A 54 -3.424 5.358 10.688 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.638 3.633 10.910 1.00 0.00 H new ATOM 0 HG SER A 54 -3.343 4.747 12.925 1.00 0.00 H new ATOM 703 N VAL A 55 -0.298 6.170 10.413 1.00 0.00 N ATOM 704 CA VAL A 55 0.819 6.952 10.904 1.00 0.00 C ATOM 705 C VAL A 55 0.585 8.427 10.610 1.00 0.00 C ATOM 706 O VAL A 55 -0.136 8.768 9.675 1.00 0.00 O ATOM 707 CB VAL A 55 2.107 6.467 10.245 1.00 0.00 C ATOM 708 CG1 VAL A 55 1.970 6.561 8.728 1.00 0.00 C ATOM 709 CG2 VAL A 55 3.273 7.337 10.705 1.00 0.00 C ATOM 0 H VAL A 55 -0.926 6.679 9.791 1.00 0.00 H new ATOM 0 HA VAL A 55 0.909 6.827 11.983 1.00 0.00 H new ATOM 0 HB VAL A 55 2.292 5.431 10.529 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.890 6.215 8.257 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.138 5.939 8.399 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.784 7.597 8.443 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.193 6.991 10.234 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.088 8.373 10.421 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.372 7.270 11.788 1.00 0.00 H new ATOM 719 N THR A 56 1.197 9.302 11.410 1.00 0.00 N ATOM 720 CA THR A 56 1.050 10.732 11.227 1.00 0.00 C ATOM 721 C THR A 56 2.419 11.377 11.059 1.00 0.00 C ATOM 722 O THR A 56 3.280 11.247 11.926 1.00 0.00 O ATOM 723 CB THR A 56 0.317 11.325 12.427 1.00 0.00 C ATOM 724 OG1 THR A 56 -0.918 10.665 12.596 1.00 0.00 O ATOM 725 CG2 THR A 56 0.071 12.812 12.190 1.00 0.00 C ATOM 0 H THR A 56 1.798 9.037 12.190 1.00 0.00 H new ATOM 0 HA THR A 56 0.467 10.928 10.327 1.00 0.00 H new ATOM 0 HB THR A 56 0.924 11.196 13.323 1.00 0.00 H new ATOM 0 HG1 THR A 56 -1.389 11.044 13.368 1.00 0.00 H new ATOM 0 HG21 THR A 56 -0.453 13.235 13.047 1.00 0.00 H new ATOM 0 HG22 THR A 56 1.025 13.322 12.059 1.00 0.00 H new ATOM 0 HG23 THR A 56 -0.536 12.942 11.294 1.00 0.00 H new ATOM 733 N ALA A 57 2.617 12.075 9.939 1.00 0.00 N ATOM 734 CA ALA A 57 3.877 12.735 9.661 1.00 0.00 C ATOM 735 C ALA A 57 4.262 13.623 10.836 1.00 0.00 C ATOM 736 O ALA A 57 3.395 14.143 11.534 1.00 0.00 O ATOM 737 CB ALA A 57 3.749 13.556 8.382 1.00 0.00 C ATOM 0 H ALA A 57 1.912 12.193 9.212 1.00 0.00 H new ATOM 0 HA ALA A 57 4.660 11.990 9.521 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.696 14.053 8.172 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.492 12.898 7.552 1.00 0.00 H new ATOM 0 HB3 ALA A 57 2.967 14.305 8.507 1.00 0.00 H new ATOM 743 N ASP A 58 5.568 13.795 11.052 1.00 0.00 N ATOM 744 CA ASP A 58 6.061 14.617 12.140 1.00 0.00 C ATOM 745 C ASP A 58 6.281 16.041 11.650 1.00 0.00 C ATOM 746 O ASP A 58 5.899 16.381 10.533 1.00 0.00 O ATOM 747 CB ASP A 58 7.359 14.022 12.678 1.00 0.00 C ATOM 748 CG ASP A 58 8.444 14.029 11.610 1.00 0.00 C ATOM 749 OD1 ASP A 58 8.199 14.657 10.557 1.00 0.00 O ATOM 750 OD2 ASP A 58 9.497 13.406 11.866 1.00 0.00 O ATOM 0 H ASP A 58 6.299 13.371 10.481 1.00 0.00 H new ATOM 0 HA ASP A 58 5.327 14.641 12.946 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.693 14.592 13.545 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.183 13.001 13.016 1.00 0.00 H new ATOM 755 N ALA A 59 6.900 16.874 12.491 1.00 0.00 N ATOM 756 CA ALA A 59 7.166 18.254 12.140 1.00 0.00 C ATOM 757 C ALA A 59 8.093 18.310 10.934 1.00 0.00 C ATOM 758 O ALA A 59 8.093 19.292 10.194 1.00 0.00 O ATOM 759 CB ALA A 59 7.790 18.970 13.335 1.00 0.00 C ATOM 0 H ALA A 59 7.224 16.607 13.421 1.00 0.00 H new ATOM 0 HA ALA A 59 6.233 18.754 11.880 1.00 0.00 H new ATOM 0 HB1 ALA A 59 7.991 20.009 13.073 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.102 18.936 14.180 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.724 18.478 13.607 1.00 0.00 H new ATOM 765 N ASN A 60 8.885 17.253 10.737 1.00 0.00 N ATOM 766 CA ASN A 60 9.809 17.190 9.623 1.00 0.00 C ATOM 767 C ASN A 60 9.074 16.760 8.362 1.00 0.00 C ATOM 768 O ASN A 60 9.655 16.733 7.280 1.00 0.00 O ATOM 769 CB ASN A 60 10.934 16.212 9.953 1.00 0.00 C ATOM 770 CG ASN A 60 12.292 16.888 9.839 1.00 0.00 C ATOM 771 OD1 ASN A 60 12.516 17.939 10.436 1.00 0.00 O ATOM 772 ND2 ASN A 60 13.201 16.282 9.072 1.00 0.00 N ATOM 0 H ASN A 60 8.898 16.431 11.341 1.00 0.00 H new ATOM 0 HA ASN A 60 10.239 18.176 9.448 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.800 15.825 10.963 1.00 0.00 H new ATOM 0 HB3 ASN A 60 10.890 15.359 9.276 1.00 0.00 H new ATOM 0 HD21 ASN A 60 14.129 16.691 8.962 1.00 0.00 H new ATOM 0 HD22 ASN A 60 12.968 15.410 8.596 1.00 0.00 H new ATOM 779 N GLY A 61 7.789 16.424 8.503 1.00 0.00 N ATOM 780 CA GLY A 61 6.986 15.999 7.374 1.00 0.00 C ATOM 781 C GLY A 61 7.394 14.600 6.933 1.00 0.00 C ATOM 782 O GLY A 61 7.179 14.221 5.784 1.00 0.00 O ATOM 0 H GLY A 61 7.290 16.441 9.392 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.930 16.009 7.645 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.109 16.699 6.547 1.00 0.00 H new ATOM 786 N SER A 62 7.986 13.833 7.851 1.00 0.00 N ATOM 787 CA SER A 62 8.420 12.483 7.552 1.00 0.00 C ATOM 788 C SER A 62 7.609 11.487 8.370 1.00 0.00 C ATOM 789 O SER A 62 7.354 11.712 9.551 1.00 0.00 O ATOM 790 CB SER A 62 9.909 12.348 7.858 1.00 0.00 C ATOM 791 OG SER A 62 10.133 12.608 9.226 1.00 0.00 O ATOM 0 H SER A 62 8.172 14.133 8.808 1.00 0.00 H new ATOM 0 HA SER A 62 8.259 12.271 6.495 1.00 0.00 H new ATOM 0 HB2 SER A 62 10.253 11.345 7.606 1.00 0.00 H new ATOM 0 HB3 SER A 62 10.482 13.045 7.246 1.00 0.00 H new ATOM 0 HG SER A 62 11.089 12.520 9.423 1.00 0.00 H new ATOM 797 N ALA A 63 7.205 10.383 7.738 1.00 0.00 N ATOM 798 CA ALA A 63 6.427 9.360 8.407 1.00 0.00 C ATOM 799 C ALA A 63 7.162 8.028 8.342 1.00 0.00 C ATOM 800 O ALA A 63 8.075 7.860 7.537 1.00 0.00 O ATOM 801 CB ALA A 63 5.055 9.253 7.748 1.00 0.00 C ATOM 0 H ALA A 63 7.409 10.182 6.759 1.00 0.00 H new ATOM 0 HA ALA A 63 6.292 9.627 9.455 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.469 8.484 8.251 1.00 0.00 H new ATOM 0 HB2 ALA A 63 4.539 10.210 7.824 1.00 0.00 H new ATOM 0 HB3 ALA A 63 5.176 8.989 6.697 1.00 0.00 H new ATOM 807 N SER A 64 6.762 7.082 9.194 1.00 0.00 N ATOM 808 CA SER A 64 7.383 5.773 9.228 1.00 0.00 C ATOM 809 C SER A 64 6.373 4.733 9.692 1.00 0.00 C ATOM 810 O SER A 64 5.844 4.828 10.797 1.00 0.00 O ATOM 811 CB SER A 64 8.590 5.808 10.160 1.00 0.00 C ATOM 812 OG SER A 64 8.184 5.469 11.467 1.00 0.00 O ATOM 0 H SER A 64 6.007 7.207 9.869 1.00 0.00 H new ATOM 0 HA SER A 64 7.720 5.501 8.228 1.00 0.00 H new ATOM 0 HB2 SER A 64 9.352 5.111 9.812 1.00 0.00 H new ATOM 0 HB3 SER A 64 9.040 6.801 10.153 1.00 0.00 H new ATOM 0 HG SER A 64 7.208 5.531 11.533 1.00 0.00 H new ATOM 818 N THR A 65 6.105 3.737 8.844 1.00 0.00 N ATOM 819 CA THR A 65 5.163 2.688 9.176 1.00 0.00 C ATOM 820 C THR A 65 5.577 1.387 8.503 1.00 0.00 C ATOM 821 O THR A 65 6.305 1.401 7.513 1.00 0.00 O ATOM 822 CB THR A 65 3.763 3.104 8.732 1.00 0.00 C ATOM 823 OG1 THR A 65 2.926 3.216 9.862 1.00 0.00 O ATOM 824 CG2 THR A 65 3.197 2.053 7.781 1.00 0.00 C ATOM 0 H THR A 65 6.533 3.643 7.923 1.00 0.00 H new ATOM 0 HA THR A 65 5.157 2.529 10.254 1.00 0.00 H new ATOM 0 HB THR A 65 3.814 4.065 8.221 1.00 0.00 H new ATOM 0 HG1 THR A 65 2.027 3.485 9.578 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.197 2.350 7.464 1.00 0.00 H new ATOM 0 HG22 THR A 65 3.844 1.966 6.908 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.145 1.091 8.291 1.00 0.00 H new ATOM 832 N SER A 66 5.109 0.260 9.043 1.00 0.00 N ATOM 833 CA SER A 66 5.432 -1.042 8.493 1.00 0.00 C ATOM 834 C SER A 66 4.192 -1.655 7.858 1.00 0.00 C ATOM 835 O SER A 66 3.151 -1.764 8.502 1.00 0.00 O ATOM 836 CB SER A 66 5.974 -1.941 9.600 1.00 0.00 C ATOM 837 OG SER A 66 6.255 -1.163 10.742 1.00 0.00 O ATOM 0 H SER A 66 4.504 0.231 9.863 1.00 0.00 H new ATOM 0 HA SER A 66 6.196 -0.937 7.723 1.00 0.00 H new ATOM 0 HB2 SER A 66 5.246 -2.715 9.844 1.00 0.00 H new ATOM 0 HB3 SER A 66 6.877 -2.449 9.261 1.00 0.00 H new ATOM 0 HG SER A 66 6.602 -1.740 11.454 1.00 0.00 H new ATOM 843 N LEU A 67 4.306 -2.058 6.590 1.00 0.00 N ATOM 844 CA LEU A 67 3.197 -2.658 5.875 1.00 0.00 C ATOM 845 C LEU A 67 3.445 -4.150 5.698 1.00 0.00 C ATOM 846 O LEU A 67 4.414 -4.548 5.056 1.00 0.00 O ATOM 847 CB LEU A 67 3.034 -1.973 4.522 1.00 0.00 C ATOM 848 CG LEU A 67 1.600 -2.152 4.031 1.00 0.00 C ATOM 849 CD1 LEU A 67 1.308 -3.638 3.843 1.00 0.00 C ATOM 850 CD2 LEU A 67 0.634 -1.569 5.058 1.00 0.00 C ATOM 0 H LEU A 67 5.163 -1.975 6.043 1.00 0.00 H new ATOM 0 HA LEU A 67 2.278 -2.527 6.446 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.270 -0.912 4.608 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.732 -2.398 3.801 1.00 0.00 H new ATOM 0 HG LEU A 67 1.474 -1.634 3.080 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.284 -3.766 3.492 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.998 -4.054 3.109 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.434 -4.157 4.793 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.390 -1.697 4.708 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.759 -2.086 6.010 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.842 -0.507 5.192 1.00 0.00 H new ATOM 862 N THR A 68 2.564 -4.975 6.269 1.00 0.00 N ATOM 863 CA THR A 68 2.694 -6.415 6.168 1.00 0.00 C ATOM 864 C THR A 68 2.432 -6.860 4.736 1.00 0.00 C ATOM 865 O THR A 68 1.661 -6.228 4.018 1.00 0.00 O ATOM 866 CB THR A 68 1.715 -7.082 7.129 1.00 0.00 C ATOM 867 OG1 THR A 68 1.761 -8.480 6.953 1.00 0.00 O ATOM 868 CG2 THR A 68 0.302 -6.580 6.845 1.00 0.00 C ATOM 0 H THR A 68 1.755 -4.662 6.805 1.00 0.00 H new ATOM 0 HA THR A 68 3.708 -6.711 6.438 1.00 0.00 H new ATOM 0 HB THR A 68 1.989 -6.836 8.155 1.00 0.00 H new ATOM 0 HG1 THR A 68 1.872 -8.916 7.824 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.398 -7.056 7.531 1.00 0.00 H new ATOM 0 HG22 THR A 68 0.266 -5.499 6.981 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.028 -6.826 5.819 1.00 0.00 H new ATOM 876 N VAL A 69 3.077 -7.953 4.323 1.00 0.00 N ATOM 877 CA VAL A 69 2.912 -8.478 2.983 1.00 0.00 C ATOM 878 C VAL A 69 2.069 -9.745 3.026 1.00 0.00 C ATOM 879 O VAL A 69 2.407 -10.694 3.730 1.00 0.00 O ATOM 880 CB VAL A 69 4.283 -8.761 2.376 1.00 0.00 C ATOM 881 CG1 VAL A 69 4.241 -10.085 1.618 1.00 0.00 C ATOM 882 CG2 VAL A 69 4.655 -7.636 1.414 1.00 0.00 C ATOM 0 H VAL A 69 3.720 -8.488 4.907 1.00 0.00 H new ATOM 0 HA VAL A 69 2.399 -7.745 2.361 1.00 0.00 H new ATOM 0 HB VAL A 69 5.027 -8.821 3.171 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.220 -10.287 1.184 1.00 0.00 H new ATOM 0 HG12 VAL A 69 3.975 -10.889 2.304 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.497 -10.026 0.823 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.634 -7.837 0.980 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.911 -7.576 0.619 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.685 -6.690 1.955 1.00 0.00 H new ATOM 892 N ARG A 70 0.969 -9.758 2.270 1.00 0.00 N ATOM 893 CA ARG A 70 0.085 -10.905 2.226 1.00 0.00 C ATOM 894 C ARG A 70 0.067 -11.489 0.821 1.00 0.00 C ATOM 895 O ARG A 70 0.006 -10.750 -0.160 1.00 0.00 O ATOM 896 CB ARG A 70 -1.317 -10.481 2.653 1.00 0.00 C ATOM 897 CG ARG A 70 -1.438 -10.578 4.171 1.00 0.00 C ATOM 898 CD ARG A 70 -0.260 -9.858 4.822 1.00 0.00 C ATOM 899 NE ARG A 70 -0.512 -9.616 6.243 1.00 0.00 N ATOM 900 CZ ARG A 70 -0.246 -10.524 7.192 1.00 0.00 C ATOM 901 NH1 ARG A 70 0.275 -11.712 6.856 1.00 0.00 N ATOM 902 NH2 ARG A 70 -0.501 -10.244 8.478 1.00 0.00 N ATOM 0 H ARG A 70 0.676 -8.979 1.680 1.00 0.00 H new ATOM 0 HA ARG A 70 0.444 -11.672 2.912 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -1.515 -9.460 2.326 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -2.062 -11.118 2.177 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -2.377 -10.134 4.501 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -1.455 -11.623 4.479 1.00 0.00 H new ATOM 0 HD2 ARG A 70 0.644 -10.455 4.706 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -0.083 -8.910 4.314 1.00 0.00 H new ATOM 0 HE ARG A 70 -0.907 -8.718 6.523 1.00 0.00 H new ATOM 0 HH11 ARG A 70 0.469 -11.925 5.878 1.00 0.00 H new ATOM 0 HH12 ARG A 70 0.477 -12.403 7.579 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -0.898 -9.340 8.734 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -0.299 -10.935 9.200 1.00 0.00 H new ATOM 916 N ARG A 71 0.118 -12.819 0.724 1.00 0.00 N ATOM 917 CA ARG A 71 0.108 -13.494 -0.558 1.00 0.00 C ATOM 918 C ARG A 71 -1.296 -13.468 -1.143 1.00 0.00 C ATOM 919 O ARG A 71 -1.475 -13.672 -2.342 1.00 0.00 O ATOM 920 CB ARG A 71 0.592 -14.930 -0.379 1.00 0.00 C ATOM 921 CG ARG A 71 -0.313 -15.652 0.615 1.00 0.00 C ATOM 922 CD ARG A 71 -0.147 -17.160 0.453 1.00 0.00 C ATOM 923 NE ARG A 71 -1.078 -17.887 1.317 1.00 0.00 N ATOM 924 CZ ARG A 71 -1.217 -19.219 1.275 1.00 0.00 C ATOM 925 NH1 ARG A 71 -0.486 -19.943 0.416 1.00 0.00 N ATOM 926 NH2 ARG A 71 -2.088 -19.828 2.092 1.00 0.00 N ATOM 0 H ARG A 71 0.167 -13.445 1.528 1.00 0.00 H new ATOM 0 HA ARG A 71 0.778 -12.982 -1.249 1.00 0.00 H new ATOM 0 HB2 ARG A 71 0.585 -15.449 -1.337 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.621 -14.936 -0.021 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -0.062 -15.355 1.633 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -1.353 -15.370 0.448 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -0.318 -17.438 -0.587 1.00 0.00 H new ATOM 0 HD3 ARG A 71 0.877 -17.445 0.695 1.00 0.00 H new ATOM 0 HE ARG A 71 -1.645 -17.357 1.979 1.00 0.00 H new ATOM 0 HH11 ARG A 71 0.177 -19.480 -0.206 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -0.592 -20.957 0.384 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -2.645 -19.277 2.746 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -2.194 -20.842 2.060 1.00 0.00 H new ATOM 940 N SER A 72 -2.294 -13.215 -0.294 1.00 0.00 N ATOM 941 CA SER A 72 -3.675 -13.162 -0.732 1.00 0.00 C ATOM 942 C SER A 72 -4.527 -12.477 0.327 1.00 0.00 C ATOM 943 O SER A 72 -4.208 -12.530 1.513 1.00 0.00 O ATOM 944 CB SER A 72 -4.177 -14.577 -0.999 1.00 0.00 C ATOM 945 OG SER A 72 -5.586 -14.571 -1.062 1.00 0.00 O ATOM 0 H SER A 72 -2.162 -13.044 0.703 1.00 0.00 H new ATOM 0 HA SER A 72 -3.746 -12.585 -1.654 1.00 0.00 H new ATOM 0 HB2 SER A 72 -3.762 -14.951 -1.935 1.00 0.00 H new ATOM 0 HB3 SER A 72 -3.840 -15.249 -0.210 1.00 0.00 H new ATOM 0 HG SER A 72 -5.879 -13.978 -1.786 1.00 0.00 H new ATOM 951 N PHE A 73 -5.615 -11.835 -0.103 1.00 0.00 N ATOM 952 CA PHE A 73 -6.506 -11.147 0.810 1.00 0.00 C ATOM 953 C PHE A 73 -7.680 -10.559 0.041 1.00 0.00 C ATOM 954 O PHE A 73 -7.575 -10.302 -1.156 1.00 0.00 O ATOM 955 CB PHE A 73 -5.735 -10.051 1.541 1.00 0.00 C ATOM 956 CG PHE A 73 -4.912 -9.178 0.625 1.00 0.00 C ATOM 957 CD1 PHE A 73 -5.547 -8.328 -0.288 1.00 0.00 C ATOM 958 CD2 PHE A 73 -3.514 -9.218 0.689 1.00 0.00 C ATOM 959 CE1 PHE A 73 -4.783 -7.517 -1.137 1.00 0.00 C ATOM 960 CE2 PHE A 73 -2.751 -8.407 -0.159 1.00 0.00 C ATOM 961 CZ PHE A 73 -3.385 -7.556 -1.072 1.00 0.00 C ATOM 0 H PHE A 73 -5.894 -11.782 -1.083 1.00 0.00 H new ATOM 0 HA PHE A 73 -6.896 -11.852 1.545 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -6.440 -9.426 2.089 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -5.077 -10.511 2.279 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -6.625 -8.297 -0.338 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -3.024 -9.875 1.393 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -5.273 -6.861 -1.842 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -1.673 -8.438 -0.109 1.00 0.00 H new ATOM 0 HZ PHE A 73 -2.796 -6.930 -1.726 1.00 0.00 H new ATOM 971 N GLU A 74 -8.803 -10.346 0.732 1.00 0.00 N ATOM 972 CA GLU A 74 -9.987 -9.789 0.110 1.00 0.00 C ATOM 973 C GLU A 74 -9.652 -8.456 -0.545 1.00 0.00 C ATOM 974 O GLU A 74 -9.173 -7.539 0.118 1.00 0.00 O ATOM 975 CB GLU A 74 -11.079 -9.616 1.161 1.00 0.00 C ATOM 976 CG GLU A 74 -10.456 -9.128 2.466 1.00 0.00 C ATOM 977 CD GLU A 74 -10.475 -10.226 3.520 1.00 0.00 C ATOM 978 OE1 GLU A 74 -11.498 -10.309 4.234 1.00 0.00 O ATOM 979 OE2 GLU A 74 -9.467 -10.961 3.593 1.00 0.00 O ATOM 0 H GLU A 74 -8.908 -10.555 1.725 1.00 0.00 H new ATOM 0 HA GLU A 74 -10.348 -10.468 -0.663 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -11.825 -8.902 0.812 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.595 -10.562 1.323 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.430 -8.808 2.287 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -11.002 -8.258 2.831 1.00 0.00 H new ATOM 986 N GLY A 75 -9.906 -8.350 -1.851 1.00 0.00 N ATOM 987 CA GLY A 75 -9.630 -7.130 -2.583 1.00 0.00 C ATOM 988 C GLY A 75 -10.708 -6.092 -2.304 1.00 0.00 C ATOM 989 O GLY A 75 -11.708 -6.025 -3.016 1.00 0.00 O ATOM 0 H GLY A 75 -10.303 -9.100 -2.417 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -8.655 -6.738 -2.295 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.586 -7.341 -3.652 1.00 0.00 H new ATOM 993 N PHE A 76 -10.502 -5.281 -1.264 1.00 0.00 N ATOM 994 CA PHE A 76 -11.456 -4.253 -0.899 1.00 0.00 C ATOM 995 C PHE A 76 -11.230 -3.012 -1.751 1.00 0.00 C ATOM 996 O PHE A 76 -10.325 -2.226 -1.478 1.00 0.00 O ATOM 997 CB PHE A 76 -11.306 -3.926 0.584 1.00 0.00 C ATOM 998 CG PHE A 76 -12.470 -4.393 1.425 1.00 0.00 C ATOM 999 CD1 PHE A 76 -13.659 -3.653 1.447 1.00 0.00 C ATOM 1000 CD2 PHE A 76 -12.361 -5.564 2.184 1.00 0.00 C ATOM 1001 CE1 PHE A 76 -14.738 -4.084 2.228 1.00 0.00 C ATOM 1002 CE2 PHE A 76 -13.440 -5.995 2.965 1.00 0.00 C ATOM 1003 CZ PHE A 76 -14.628 -5.255 2.987 1.00 0.00 C ATOM 0 H PHE A 76 -9.678 -5.323 -0.664 1.00 0.00 H new ATOM 0 HA PHE A 76 -12.470 -4.612 -1.078 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -10.391 -4.385 0.958 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -11.193 -2.848 0.701 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -13.743 -2.750 0.861 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -11.444 -6.135 2.167 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -15.655 -3.513 2.245 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -13.356 -6.899 3.551 1.00 0.00 H new ATOM 0 HZ PHE A 76 -15.460 -5.588 3.590 1.00 0.00 H new ATOM 1013 N LEU A 77 -12.055 -2.837 -2.785 1.00 0.00 N ATOM 1014 CA LEU A 77 -11.942 -1.695 -3.670 1.00 0.00 C ATOM 1015 C LEU A 77 -11.978 -0.407 -2.859 1.00 0.00 C ATOM 1016 O LEU A 77 -12.721 -0.305 -1.885 1.00 0.00 O ATOM 1017 CB LEU A 77 -13.080 -1.724 -4.686 1.00 0.00 C ATOM 1018 CG LEU A 77 -13.483 -0.296 -5.040 1.00 0.00 C ATOM 1019 CD1 LEU A 77 -12.363 0.368 -5.836 1.00 0.00 C ATOM 1020 CD2 LEU A 77 -14.758 -0.320 -5.878 1.00 0.00 C ATOM 0 H LEU A 77 -12.810 -3.480 -3.024 1.00 0.00 H new ATOM 0 HA LEU A 77 -10.993 -1.739 -4.205 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -12.767 -2.258 -5.583 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -13.934 -2.263 -4.276 1.00 0.00 H new ATOM 0 HG LEU A 77 -13.660 0.268 -4.124 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -12.652 1.388 -6.089 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -11.452 0.386 -5.237 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -12.184 -0.196 -6.752 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -15.046 0.700 -6.131 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -14.581 -0.885 -6.793 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -15.559 -0.793 -5.309 1.00 0.00 H new ATOM 1032 N PHE A 78 -11.171 0.577 -3.262 1.00 0.00 N ATOM 1033 CA PHE A 78 -11.117 1.850 -2.571 1.00 0.00 C ATOM 1034 C PHE A 78 -12.528 2.358 -2.312 1.00 0.00 C ATOM 1035 O PHE A 78 -12.820 2.862 -1.230 1.00 0.00 O ATOM 1036 CB PHE A 78 -10.327 2.850 -3.412 1.00 0.00 C ATOM 1037 CG PHE A 78 -8.879 2.971 -3.001 1.00 0.00 C ATOM 1038 CD1 PHE A 78 -7.959 1.987 -3.382 1.00 0.00 C ATOM 1039 CD2 PHE A 78 -8.457 4.066 -2.237 1.00 0.00 C ATOM 1040 CE1 PHE A 78 -6.617 2.098 -3.000 1.00 0.00 C ATOM 1041 CE2 PHE A 78 -7.115 4.177 -1.855 1.00 0.00 C ATOM 1042 CZ PHE A 78 -6.195 3.193 -2.237 1.00 0.00 C ATOM 0 H PHE A 78 -10.548 0.508 -4.066 1.00 0.00 H new ATOM 0 HA PHE A 78 -10.616 1.726 -1.611 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -10.376 2.551 -4.459 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -10.801 3.829 -3.338 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -8.285 1.142 -3.971 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -9.167 4.825 -1.943 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -5.907 1.339 -3.294 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -6.789 5.021 -1.266 1.00 0.00 H new ATOM 0 HZ PHE A 78 -5.159 3.279 -1.943 1.00 0.00 H new ATOM 1052 N ASP A 79 -13.405 2.224 -3.310 1.00 0.00 N ATOM 1053 CA ASP A 79 -14.778 2.670 -3.185 1.00 0.00 C ATOM 1054 C ASP A 79 -15.435 1.988 -1.994 1.00 0.00 C ATOM 1055 O ASP A 79 -16.474 2.438 -1.514 1.00 0.00 O ATOM 1056 CB ASP A 79 -15.534 2.354 -4.473 1.00 0.00 C ATOM 1057 CG ASP A 79 -16.627 3.382 -4.729 1.00 0.00 C ATOM 1058 OD1 ASP A 79 -16.717 4.328 -3.917 1.00 0.00 O ATOM 1059 OD2 ASP A 79 -17.352 3.202 -5.731 1.00 0.00 O ATOM 0 H ASP A 79 -13.179 1.808 -4.213 1.00 0.00 H new ATOM 0 HA ASP A 79 -14.801 3.747 -3.020 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -14.839 2.340 -5.313 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -15.974 1.359 -4.406 1.00 0.00 H new ATOM 1064 N GLY A 80 -14.827 0.900 -1.515 1.00 0.00 N ATOM 1065 CA GLY A 80 -15.359 0.168 -0.383 1.00 0.00 C ATOM 1066 C GLY A 80 -16.202 -1.005 -0.864 1.00 0.00 C ATOM 1067 O GLY A 80 -17.128 -1.431 -0.177 1.00 0.00 O ATOM 0 H GLY A 80 -13.965 0.513 -1.900 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -14.542 -0.194 0.242 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -15.964 0.831 0.236 1.00 0.00 H new ATOM 1071 N THR A 81 -15.880 -1.528 -2.049 1.00 0.00 N ATOM 1072 CA THR A 81 -16.609 -2.647 -2.611 1.00 0.00 C ATOM 1073 C THR A 81 -15.746 -3.901 -2.572 1.00 0.00 C ATOM 1074 O THR A 81 -14.589 -3.874 -2.986 1.00 0.00 O ATOM 1075 CB THR A 81 -17.020 -2.318 -4.043 1.00 0.00 C ATOM 1076 OG1 THR A 81 -18.137 -1.458 -4.025 1.00 0.00 O ATOM 1077 CG2 THR A 81 -17.381 -3.606 -4.778 1.00 0.00 C ATOM 0 H THR A 81 -15.116 -1.187 -2.633 1.00 0.00 H new ATOM 0 HA THR A 81 -17.507 -2.832 -2.022 1.00 0.00 H new ATOM 0 HB THR A 81 -16.192 -1.828 -4.555 1.00 0.00 H new ATOM 0 HG1 THR A 81 -18.401 -1.245 -4.945 1.00 0.00 H new ATOM 0 HG21 THR A 81 -17.675 -3.371 -5.801 1.00 0.00 H new ATOM 0 HG22 THR A 81 -16.518 -4.271 -4.792 1.00 0.00 H new ATOM 0 HG23 THR A 81 -18.209 -4.097 -4.267 1.00 0.00 H new ATOM 1085 N ARG A 82 -16.313 -5.001 -2.074 1.00 0.00 N ATOM 1086 CA ARG A 82 -15.596 -6.257 -1.982 1.00 0.00 C ATOM 1087 C ARG A 82 -15.439 -6.863 -3.370 1.00 0.00 C ATOM 1088 O ARG A 82 -16.307 -7.603 -3.828 1.00 0.00 O ATOM 1089 CB ARG A 82 -16.354 -7.208 -1.060 1.00 0.00 C ATOM 1090 CG ARG A 82 -15.392 -8.258 -0.512 1.00 0.00 C ATOM 1091 CD ARG A 82 -16.144 -9.195 0.430 1.00 0.00 C ATOM 1092 NE ARG A 82 -15.969 -10.592 0.032 1.00 0.00 N ATOM 1093 CZ ARG A 82 -16.234 -11.619 0.850 1.00 0.00 C ATOM 1094 NH1 ARG A 82 -16.682 -11.387 2.092 1.00 0.00 N ATOM 1095 NH2 ARG A 82 -16.053 -12.877 0.428 1.00 0.00 N ATOM 0 H ARG A 82 -17.272 -5.039 -1.729 1.00 0.00 H new ATOM 0 HA ARG A 82 -14.603 -6.084 -1.567 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -16.808 -6.652 -0.240 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -17.165 -7.691 -1.605 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -14.951 -8.826 -1.331 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -14.572 -7.774 0.018 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -15.785 -9.056 1.450 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -17.205 -8.943 0.429 1.00 0.00 H new ATOM 0 HE ARG A 82 -15.631 -10.793 -0.909 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -16.821 -10.429 2.413 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -16.884 -12.169 2.716 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -15.713 -13.054 -0.517 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -16.255 -13.658 1.052 1.00 0.00 H new ATOM 1109 N TRP A 83 -14.328 -6.548 -4.039 1.00 0.00 N ATOM 1110 CA TRP A 83 -14.067 -7.066 -5.367 1.00 0.00 C ATOM 1111 C TRP A 83 -13.970 -8.584 -5.322 1.00 0.00 C ATOM 1112 O TRP A 83 -14.706 -9.278 -6.019 1.00 0.00 O ATOM 1113 CB TRP A 83 -12.776 -6.457 -5.905 1.00 0.00 C ATOM 1114 CG TRP A 83 -12.761 -6.213 -7.380 1.00 0.00 C ATOM 1115 CD1 TRP A 83 -12.785 -4.999 -7.971 1.00 0.00 C ATOM 1116 CD2 TRP A 83 -12.719 -7.185 -8.469 1.00 0.00 C ATOM 1117 NE1 TRP A 83 -12.762 -5.151 -9.341 1.00 0.00 N ATOM 1118 CE2 TRP A 83 -12.721 -6.482 -9.704 1.00 0.00 C ATOM 1119 CE3 TRP A 83 -12.680 -8.589 -8.540 1.00 0.00 C ATOM 1120 CZ2 TRP A 83 -12.686 -7.133 -10.940 1.00 0.00 C ATOM 1121 CZ3 TRP A 83 -12.645 -9.253 -9.775 1.00 0.00 C ATOM 1122 CH2 TRP A 83 -12.648 -8.530 -10.974 1.00 0.00 C ATOM 0 H TRP A 83 -13.599 -5.935 -3.675 1.00 0.00 H new ATOM 0 HA TRP A 83 -14.886 -6.796 -6.033 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -12.597 -5.511 -5.393 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -11.947 -7.118 -5.652 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -12.817 -4.054 -7.450 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -12.774 -4.376 -10.004 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -12.677 -9.166 -7.627 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -12.688 -6.564 -11.858 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -12.615 -10.332 -9.801 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -12.621 -9.049 -11.921 1.00 0.00 H new ATOM 1133 N GLY A 84 -13.056 -9.101 -4.496 1.00 0.00 N ATOM 1134 CA GLY A 84 -12.871 -10.533 -4.367 1.00 0.00 C ATOM 1135 C GLY A 84 -11.468 -10.839 -3.862 1.00 0.00 C ATOM 1136 O GLY A 84 -10.621 -9.951 -3.796 1.00 0.00 O ATOM 0 H GLY A 84 -12.436 -8.541 -3.910 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -13.610 -10.942 -3.678 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -13.032 -11.016 -5.331 1.00 0.00 H new ATOM 1140 N THR A 85 -11.223 -12.102 -3.504 1.00 0.00 N ATOM 1141 CA THR A 85 -9.926 -12.515 -3.009 1.00 0.00 C ATOM 1142 C THR A 85 -8.845 -12.150 -4.017 1.00 0.00 C ATOM 1143 O THR A 85 -9.058 -12.252 -5.223 1.00 0.00 O ATOM 1144 CB THR A 85 -9.937 -14.018 -2.749 1.00 0.00 C ATOM 1145 OG1 THR A 85 -11.269 -14.479 -2.709 1.00 0.00 O ATOM 1146 CG2 THR A 85 -9.259 -14.309 -1.412 1.00 0.00 C ATOM 0 H THR A 85 -11.914 -12.851 -3.551 1.00 0.00 H new ATOM 0 HA THR A 85 -9.710 -11.998 -2.074 1.00 0.00 H new ATOM 0 HB THR A 85 -9.399 -14.528 -3.548 1.00 0.00 H new ATOM 0 HG1 THR A 85 -11.276 -15.445 -2.544 1.00 0.00 H new ATOM 0 HG21 THR A 85 -9.267 -15.383 -1.226 1.00 0.00 H new ATOM 0 HG22 THR A 85 -8.229 -13.953 -1.441 1.00 0.00 H new ATOM 0 HG23 THR A 85 -9.796 -13.799 -0.613 1.00 0.00 H new ATOM 1154 N VAL A 86 -7.682 -11.725 -3.518 1.00 0.00 N ATOM 1155 CA VAL A 86 -6.575 -11.347 -4.374 1.00 0.00 C ATOM 1156 C VAL A 86 -5.388 -12.263 -4.112 1.00 0.00 C ATOM 1157 O VAL A 86 -5.256 -12.815 -3.022 1.00 0.00 O ATOM 1158 CB VAL A 86 -6.204 -9.891 -4.112 1.00 0.00 C ATOM 1159 CG1 VAL A 86 -4.730 -9.674 -4.441 1.00 0.00 C ATOM 1160 CG2 VAL A 86 -7.060 -8.982 -4.989 1.00 0.00 C ATOM 0 H VAL A 86 -7.490 -11.637 -2.520 1.00 0.00 H new ATOM 0 HA VAL A 86 -6.865 -11.450 -5.420 1.00 0.00 H new ATOM 0 HB VAL A 86 -6.380 -9.655 -3.063 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -4.465 -8.633 -4.254 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.118 -10.323 -3.814 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.553 -9.910 -5.490 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -6.795 -7.941 -4.802 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -6.884 -9.218 -6.038 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -8.113 -9.136 -4.754 1.00 0.00 H new ATOM 1170 N ASP A 87 -4.522 -12.422 -5.116 1.00 0.00 N ATOM 1171 CA ASP A 87 -3.352 -13.268 -4.989 1.00 0.00 C ATOM 1172 C ASP A 87 -2.111 -12.497 -5.414 1.00 0.00 C ATOM 1173 O ASP A 87 -1.788 -12.440 -6.598 1.00 0.00 O ATOM 1174 CB ASP A 87 -3.534 -14.516 -5.848 1.00 0.00 C ATOM 1175 CG ASP A 87 -4.251 -15.611 -5.071 1.00 0.00 C ATOM 1176 OD1 ASP A 87 -4.036 -15.668 -3.841 1.00 0.00 O ATOM 1177 OD2 ASP A 87 -5.001 -16.371 -5.721 1.00 0.00 O ATOM 0 H ASP A 87 -4.617 -11.970 -6.026 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.228 -13.573 -3.950 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -4.104 -14.266 -6.743 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -2.561 -14.878 -6.181 1.00 0.00 H new ATOM 1182 N CYS A 88 -1.414 -11.902 -4.443 1.00 0.00 N ATOM 1183 CA CYS A 88 -0.214 -11.139 -4.719 1.00 0.00 C ATOM 1184 C CYS A 88 0.771 -11.994 -5.503 1.00 0.00 C ATOM 1185 O CYS A 88 1.609 -11.469 -6.232 1.00 0.00 O ATOM 1186 CB CYS A 88 0.404 -10.669 -3.405 1.00 0.00 C ATOM 1187 SG CYS A 88 -0.567 -9.406 -2.546 1.00 0.00 S ATOM 0 H CYS A 88 -1.669 -11.940 -3.456 1.00 0.00 H new ATOM 0 HA CYS A 88 -0.465 -10.265 -5.320 1.00 0.00 H new ATOM 0 HB2 CYS A 88 0.528 -11.528 -2.746 1.00 0.00 H new ATOM 0 HB3 CYS A 88 1.400 -10.274 -3.605 1.00 0.00 H new ATOM 1192 N THR A 89 0.670 -13.317 -5.351 1.00 0.00 N ATOM 1193 CA THR A 89 1.552 -14.233 -6.046 1.00 0.00 C ATOM 1194 C THR A 89 1.071 -14.432 -7.476 1.00 0.00 C ATOM 1195 O THR A 89 1.661 -15.201 -8.231 1.00 0.00 O ATOM 1196 CB THR A 89 1.593 -15.563 -5.299 1.00 0.00 C ATOM 1197 OG1 THR A 89 0.289 -16.095 -5.216 1.00 0.00 O ATOM 1198 CG2 THR A 89 2.142 -15.341 -3.893 1.00 0.00 C ATOM 0 H THR A 89 -0.018 -13.770 -4.750 1.00 0.00 H new ATOM 0 HA THR A 89 2.559 -13.818 -6.079 1.00 0.00 H new ATOM 0 HB THR A 89 2.237 -16.261 -5.834 1.00 0.00 H new ATOM 0 HG1 THR A 89 0.314 -16.950 -4.738 1.00 0.00 H new ATOM 0 HG21 THR A 89 2.171 -16.291 -3.360 1.00 0.00 H new ATOM 0 HG22 THR A 89 3.149 -14.929 -3.957 1.00 0.00 H new ATOM 0 HG23 THR A 89 1.498 -14.644 -3.357 1.00 0.00 H new ATOM 1206 N THR A 90 -0.005 -13.735 -7.848 1.00 0.00 N ATOM 1207 CA THR A 90 -0.556 -13.840 -9.184 1.00 0.00 C ATOM 1208 C THR A 90 -0.393 -12.516 -9.917 1.00 0.00 C ATOM 1209 O THR A 90 -0.309 -12.489 -11.143 1.00 0.00 O ATOM 1210 CB THR A 90 -2.028 -14.232 -9.097 1.00 0.00 C ATOM 1211 OG1 THR A 90 -2.139 -15.637 -9.065 1.00 0.00 O ATOM 1212 CG2 THR A 90 -2.772 -13.690 -10.315 1.00 0.00 C ATOM 0 H THR A 90 -0.507 -13.093 -7.235 1.00 0.00 H new ATOM 0 HA THR A 90 -0.021 -14.608 -9.742 1.00 0.00 H new ATOM 0 HB THR A 90 -2.463 -13.813 -8.190 1.00 0.00 H new ATOM 0 HG1 THR A 90 -3.084 -15.889 -9.007 1.00 0.00 H new ATOM 0 HG21 THR A 90 -3.824 -13.970 -10.253 1.00 0.00 H new ATOM 0 HG22 THR A 90 -2.686 -12.604 -10.340 1.00 0.00 H new ATOM 0 HG23 THR A 90 -2.338 -14.109 -11.223 1.00 0.00 H new ATOM 1220 N ALA A 91 -0.348 -11.416 -9.162 1.00 0.00 N ATOM 1221 CA ALA A 91 -0.196 -10.097 -9.741 1.00 0.00 C ATOM 1222 C ALA A 91 0.782 -9.278 -8.911 1.00 0.00 C ATOM 1223 O ALA A 91 1.440 -9.811 -8.020 1.00 0.00 O ATOM 1224 CB ALA A 91 -1.558 -9.411 -9.804 1.00 0.00 C ATOM 0 H ALA A 91 -0.416 -11.423 -8.144 1.00 0.00 H new ATOM 0 HA ALA A 91 0.201 -10.183 -10.753 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -1.446 -8.418 -10.239 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -2.235 -10.003 -10.420 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -1.967 -9.322 -8.798 1.00 0.00 H new ATOM 1230 N ALA A 92 0.877 -7.980 -9.206 1.00 0.00 N ATOM 1231 CA ALA A 92 1.774 -7.097 -8.488 1.00 0.00 C ATOM 1232 C ALA A 92 1.010 -6.363 -7.395 1.00 0.00 C ATOM 1233 O ALA A 92 -0.011 -5.734 -7.665 1.00 0.00 O ATOM 1234 CB ALA A 92 2.403 -6.108 -9.465 1.00 0.00 C ATOM 0 H ALA A 92 0.338 -7.524 -9.942 1.00 0.00 H new ATOM 0 HA ALA A 92 2.567 -7.680 -8.020 1.00 0.00 H new ATOM 0 HB1 ALA A 92 3.078 -5.443 -8.926 1.00 0.00 H new ATOM 0 HB2 ALA A 92 2.962 -6.653 -10.226 1.00 0.00 H new ATOM 0 HB3 ALA A 92 1.619 -5.520 -9.942 1.00 0.00 H new ATOM 1240 N CYS A 93 1.507 -6.444 -6.159 1.00 0.00 N ATOM 1241 CA CYS A 93 0.871 -5.790 -5.034 1.00 0.00 C ATOM 1242 C CYS A 93 1.663 -4.550 -4.645 1.00 0.00 C ATOM 1243 O CYS A 93 2.869 -4.484 -4.872 1.00 0.00 O ATOM 1244 CB CYS A 93 0.783 -6.765 -3.863 1.00 0.00 C ATOM 1245 SG CYS A 93 -0.636 -7.886 -3.944 1.00 0.00 S ATOM 0 H CYS A 93 2.353 -6.961 -5.920 1.00 0.00 H new ATOM 0 HA CYS A 93 -0.138 -5.482 -5.309 1.00 0.00 H new ATOM 0 HB2 CYS A 93 1.698 -7.356 -3.826 1.00 0.00 H new ATOM 0 HB3 CYS A 93 0.732 -6.197 -2.934 1.00 0.00 H new ATOM 1250 N GLN A 94 0.981 -3.564 -4.056 1.00 0.00 N ATOM 1251 CA GLN A 94 1.623 -2.333 -3.641 1.00 0.00 C ATOM 1252 C GLN A 94 0.953 -1.800 -2.382 1.00 0.00 C ATOM 1253 O GLN A 94 -0.246 -1.987 -2.188 1.00 0.00 O ATOM 1254 CB GLN A 94 1.540 -1.312 -4.772 1.00 0.00 C ATOM 1255 CG GLN A 94 0.387 -0.349 -4.505 1.00 0.00 C ATOM 1256 CD GLN A 94 -0.123 0.261 -5.803 1.00 0.00 C ATOM 1257 OE1 GLN A 94 0.067 -0.309 -6.875 1.00 0.00 O ATOM 1258 NE2 GLN A 94 -0.771 1.424 -5.704 1.00 0.00 N ATOM 0 H GLN A 94 -0.019 -3.603 -3.859 1.00 0.00 H new ATOM 0 HA GLN A 94 2.673 -2.523 -3.416 1.00 0.00 H new ATOM 0 HB2 GLN A 94 2.477 -0.761 -4.848 1.00 0.00 H new ATOM 0 HB3 GLN A 94 1.390 -1.820 -5.725 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -0.424 -0.877 -4.003 1.00 0.00 H new ATOM 0 HG3 GLN A 94 0.717 0.442 -3.832 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -0.903 1.858 -4.790 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -1.134 1.879 -6.542 1.00 0.00 H new ATOM 1267 N VAL A 95 1.732 -1.134 -1.527 1.00 0.00 N ATOM 1268 CA VAL A 95 1.213 -0.577 -0.294 1.00 0.00 C ATOM 1269 C VAL A 95 0.952 0.912 -0.471 1.00 0.00 C ATOM 1270 O VAL A 95 1.430 1.518 -1.427 1.00 0.00 O ATOM 1271 CB VAL A 95 2.211 -0.821 0.834 1.00 0.00 C ATOM 1272 CG1 VAL A 95 1.883 0.093 2.011 1.00 0.00 C ATOM 1273 CG2 VAL A 95 2.126 -2.277 1.282 1.00 0.00 C ATOM 0 H VAL A 95 2.728 -0.971 -1.675 1.00 0.00 H new ATOM 0 HA VAL A 95 0.271 -1.063 -0.039 1.00 0.00 H new ATOM 0 HB VAL A 95 3.219 -0.608 0.479 1.00 0.00 H new ATOM 0 HG11 VAL A 95 2.596 -0.081 2.817 1.00 0.00 H new ATOM 0 HG12 VAL A 95 1.944 1.133 1.692 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.875 -0.119 2.366 1.00 0.00 H new ATOM 0 HG21 VAL A 95 2.839 -2.452 2.088 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.118 -2.490 1.637 1.00 0.00 H new ATOM 0 HG23 VAL A 95 2.361 -2.930 0.442 1.00 0.00 H new ATOM 1283 N GLY A 96 0.191 1.502 0.455 1.00 0.00 N ATOM 1284 CA GLY A 96 -0.126 2.915 0.392 1.00 0.00 C ATOM 1285 C GLY A 96 -0.917 3.333 1.623 1.00 0.00 C ATOM 1286 O GLY A 96 -1.538 2.500 2.278 1.00 0.00 O ATOM 0 H GLY A 96 -0.213 1.015 1.255 1.00 0.00 H new ATOM 0 HA2 GLY A 96 0.792 3.498 0.326 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -0.703 3.126 -0.508 1.00 0.00 H new ATOM 1290 N LEU A 97 -0.892 4.631 1.937 1.00 0.00 N ATOM 1291 CA LEU A 97 -1.605 5.154 3.085 1.00 0.00 C ATOM 1292 C LEU A 97 -2.346 6.426 2.698 1.00 0.00 C ATOM 1293 O LEU A 97 -1.935 7.131 1.779 1.00 0.00 O ATOM 1294 CB LEU A 97 -0.617 5.427 4.215 1.00 0.00 C ATOM 1295 CG LEU A 97 0.288 6.594 3.828 1.00 0.00 C ATOM 1296 CD1 LEU A 97 0.612 7.420 5.070 1.00 0.00 C ATOM 1297 CD2 LEU A 97 1.581 6.055 3.223 1.00 0.00 C ATOM 0 H LEU A 97 -0.381 5.335 1.404 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.336 4.422 3.428 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -1.155 5.659 5.134 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -0.018 4.538 4.412 1.00 0.00 H new ATOM 0 HG LEU A 97 -0.221 7.222 3.097 1.00 0.00 H new ATOM 0 HD11 LEU A 97 1.258 8.253 4.794 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.312 7.805 5.502 1.00 0.00 H new ATOM 0 HD13 LEU A 97 1.121 6.793 5.802 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.228 6.887 2.946 1.00 0.00 H new ATOM 0 HD22 LEU A 97 2.090 5.427 3.954 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.350 5.465 2.336 1.00 0.00 H new ATOM 1309 N SER A 98 -3.442 6.718 3.402 1.00 0.00 N ATOM 1310 CA SER A 98 -4.231 7.902 3.130 1.00 0.00 C ATOM 1311 C SER A 98 -4.718 8.511 4.437 1.00 0.00 C ATOM 1312 O SER A 98 -4.783 7.827 5.457 1.00 0.00 O ATOM 1313 CB SER A 98 -5.410 7.531 2.234 1.00 0.00 C ATOM 1314 OG SER A 98 -5.066 7.762 0.886 1.00 0.00 O ATOM 0 H SER A 98 -3.797 6.143 4.166 1.00 0.00 H new ATOM 0 HA SER A 98 -3.618 8.642 2.615 1.00 0.00 H new ATOM 0 HB2 SER A 98 -5.675 6.484 2.379 1.00 0.00 H new ATOM 0 HB3 SER A 98 -6.286 8.122 2.504 1.00 0.00 H new ATOM 0 HG SER A 98 -5.822 7.522 0.310 1.00 0.00 H new ATOM 1320 N ASP A 99 -5.062 9.800 4.405 1.00 0.00 N ATOM 1321 CA ASP A 99 -5.540 10.493 5.585 1.00 0.00 C ATOM 1322 C ASP A 99 -7.044 10.702 5.485 1.00 0.00 C ATOM 1323 O ASP A 99 -7.711 10.053 4.682 1.00 0.00 O ATOM 1324 CB ASP A 99 -4.815 11.829 5.718 1.00 0.00 C ATOM 1325 CG ASP A 99 -5.601 12.944 5.041 1.00 0.00 C ATOM 1326 OD1 ASP A 99 -5.851 12.804 3.824 1.00 0.00 O ATOM 1327 OD2 ASP A 99 -5.938 13.914 5.754 1.00 0.00 O ATOM 0 H ASP A 99 -5.015 10.380 3.567 1.00 0.00 H new ATOM 0 HA ASP A 99 -5.335 9.894 6.472 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -4.673 12.067 6.772 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -3.823 11.755 5.272 1.00 0.00 H new ATOM 1332 N ALA A 100 -7.578 11.612 6.303 1.00 0.00 N ATOM 1333 CA ALA A 100 -8.998 11.900 6.303 1.00 0.00 C ATOM 1334 C ALA A 100 -9.431 12.358 4.917 1.00 0.00 C ATOM 1335 O ALA A 100 -10.412 11.855 4.374 1.00 0.00 O ATOM 1336 CB ALA A 100 -9.298 12.974 7.345 1.00 0.00 C ATOM 0 H ALA A 100 -7.038 12.160 6.973 1.00 0.00 H new ATOM 0 HA ALA A 100 -9.556 10.999 6.557 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -10.366 13.192 7.346 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -8.999 12.618 8.331 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -8.743 13.881 7.103 1.00 0.00 H new ATOM 1342 N ALA A 101 -8.697 13.316 4.347 1.00 0.00 N ATOM 1343 CA ALA A 101 -9.008 13.837 3.031 1.00 0.00 C ATOM 1344 C ALA A 101 -8.647 12.807 1.970 1.00 0.00 C ATOM 1345 O ALA A 101 -9.217 12.808 0.882 1.00 0.00 O ATOM 1346 CB ALA A 101 -8.243 15.137 2.805 1.00 0.00 C ATOM 0 H ALA A 101 -7.881 13.743 4.785 1.00 0.00 H new ATOM 0 HA ALA A 101 -10.076 14.043 2.961 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -8.477 15.529 1.815 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -8.533 15.866 3.562 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -7.172 14.946 2.876 1.00 0.00 H new ATOM 1352 N GLY A 102 -7.696 11.926 2.289 1.00 0.00 N ATOM 1353 CA GLY A 102 -7.267 10.899 1.360 1.00 0.00 C ATOM 1354 C GLY A 102 -5.957 11.300 0.698 1.00 0.00 C ATOM 1355 O GLY A 102 -5.785 11.120 -0.506 1.00 0.00 O ATOM 0 H GLY A 102 -7.213 11.910 3.187 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -7.142 9.953 1.886 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -8.033 10.743 0.601 1.00 0.00 H new ATOM 1359 N ASN A 103 -5.030 11.847 1.489 1.00 0.00 N ATOM 1360 CA ASN A 103 -3.742 12.269 0.975 1.00 0.00 C ATOM 1361 C ASN A 103 -2.628 11.502 1.673 1.00 0.00 C ATOM 1362 O ASN A 103 -2.887 10.720 2.585 1.00 0.00 O ATOM 1363 CB ASN A 103 -3.580 13.772 1.189 1.00 0.00 C ATOM 1364 CG ASN A 103 -4.075 14.181 2.568 1.00 0.00 C ATOM 1365 OD1 ASN A 103 -5.053 14.916 2.686 1.00 0.00 O ATOM 1366 ND2 ASN A 103 -3.398 13.702 3.614 1.00 0.00 N ATOM 0 H ASN A 103 -5.156 12.005 2.489 1.00 0.00 H new ATOM 0 HA ASN A 103 -3.685 12.057 -0.093 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -2.531 14.048 1.078 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -4.135 14.314 0.423 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -3.687 13.943 4.562 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -2.592 13.095 3.465 1.00 0.00 H new ATOM 1373 N GLY A 104 -1.385 11.729 1.244 1.00 0.00 N ATOM 1374 CA GLY A 104 -0.242 11.058 1.831 1.00 0.00 C ATOM 1375 C GLY A 104 0.743 10.647 0.747 1.00 0.00 C ATOM 1376 O GLY A 104 0.574 11.002 -0.418 1.00 0.00 O ATOM 0 H GLY A 104 -1.152 12.375 0.490 1.00 0.00 H new ATOM 0 HA2 GLY A 104 0.248 11.719 2.546 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -0.572 10.179 2.384 1.00 0.00 H new ATOM 1380 N PRO A 105 1.777 9.895 1.132 1.00 0.00 N ATOM 1381 CA PRO A 105 2.810 9.410 0.242 1.00 0.00 C ATOM 1382 C PRO A 105 2.247 8.307 -0.642 1.00 0.00 C ATOM 1383 O PRO A 105 1.572 7.402 -0.155 1.00 0.00 O ATOM 1384 CB PRO A 105 3.900 8.869 1.165 1.00 0.00 C ATOM 1385 CG PRO A 105 3.108 8.406 2.387 1.00 0.00 C ATOM 1386 CD PRO A 105 2.007 9.458 2.492 1.00 0.00 C ATOM 0 HA PRO A 105 3.195 10.184 -0.422 1.00 0.00 H new ATOM 0 HB2 PRO A 105 4.450 8.048 0.704 1.00 0.00 H new ATOM 0 HB3 PRO A 105 4.630 9.637 1.423 1.00 0.00 H new ATOM 0 HG2 PRO A 105 2.700 7.405 2.249 1.00 0.00 H new ATOM 0 HG3 PRO A 105 3.727 8.377 3.284 1.00 0.00 H new ATOM 0 HD2 PRO A 105 1.101 9.039 2.931 1.00 0.00 H new ATOM 0 HD3 PRO A 105 2.314 10.289 3.127 1.00 0.00 H new ATOM 1394 N GLU A 106 2.523 8.385 -1.946 1.00 0.00 N ATOM 1395 CA GLU A 106 2.041 7.393 -2.887 1.00 0.00 C ATOM 1396 C GLU A 106 3.154 7.009 -3.852 1.00 0.00 C ATOM 1397 O GLU A 106 3.980 7.844 -4.216 1.00 0.00 O ATOM 1398 CB GLU A 106 0.839 7.953 -3.643 1.00 0.00 C ATOM 1399 CG GLU A 106 0.873 7.463 -5.087 1.00 0.00 C ATOM 1400 CD GLU A 106 -0.385 7.883 -5.833 1.00 0.00 C ATOM 1401 OE1 GLU A 106 -1.446 7.934 -5.173 1.00 0.00 O ATOM 1402 OE2 GLU A 106 -0.264 8.145 -7.049 1.00 0.00 O ATOM 0 H GLU A 106 3.079 9.129 -2.367 1.00 0.00 H new ATOM 0 HA GLU A 106 1.731 6.497 -2.349 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -0.086 7.636 -3.162 1.00 0.00 H new ATOM 0 HB3 GLU A 106 0.855 9.043 -3.617 1.00 0.00 H new ATOM 0 HG2 GLU A 106 1.751 7.866 -5.591 1.00 0.00 H new ATOM 0 HG3 GLU A 106 0.966 6.377 -5.105 1.00 0.00 H new ATOM 1409 N GLY A 107 3.174 5.741 -4.268 1.00 0.00 N ATOM 1410 CA GLY A 107 4.185 5.258 -5.188 1.00 0.00 C ATOM 1411 C GLY A 107 4.969 4.115 -4.558 1.00 0.00 C ATOM 1412 O GLY A 107 6.190 4.188 -4.439 1.00 0.00 O ATOM 0 H GLY A 107 2.497 5.035 -3.977 1.00 0.00 H new ATOM 0 HA2 GLY A 107 3.715 4.920 -6.111 1.00 0.00 H new ATOM 0 HA3 GLY A 107 4.862 6.070 -5.454 1.00 0.00 H new ATOM 1416 N VAL A 108 4.262 3.057 -4.154 1.00 0.00 N ATOM 1417 CA VAL A 108 4.892 1.906 -3.539 1.00 0.00 C ATOM 1418 C VAL A 108 4.387 0.630 -4.198 1.00 0.00 C ATOM 1419 O VAL A 108 3.291 0.165 -3.895 1.00 0.00 O ATOM 1420 CB VAL A 108 4.588 1.900 -2.044 1.00 0.00 C ATOM 1421 CG1 VAL A 108 4.905 0.523 -1.466 1.00 0.00 C ATOM 1422 CG2 VAL A 108 5.444 2.953 -1.347 1.00 0.00 C ATOM 0 H VAL A 108 3.249 2.982 -4.246 1.00 0.00 H new ATOM 0 HA VAL A 108 5.972 1.960 -3.676 1.00 0.00 H new ATOM 0 HB VAL A 108 3.533 2.126 -1.887 1.00 0.00 H new ATOM 0 HG11 VAL A 108 4.688 0.518 -0.398 1.00 0.00 H new ATOM 0 HG12 VAL A 108 4.294 -0.230 -1.964 1.00 0.00 H new ATOM 0 HG13 VAL A 108 5.960 0.296 -1.623 1.00 0.00 H new ATOM 0 HG21 VAL A 108 5.227 2.949 -0.279 1.00 0.00 H new ATOM 0 HG22 VAL A 108 6.499 2.727 -1.504 1.00 0.00 H new ATOM 0 HG23 VAL A 108 5.219 3.936 -1.759 1.00 0.00 H new ATOM 1432 N ALA A 109 5.191 0.065 -5.101 1.00 0.00 N ATOM 1433 CA ALA A 109 4.823 -1.152 -5.797 1.00 0.00 C ATOM 1434 C ALA A 109 5.465 -2.351 -5.114 1.00 0.00 C ATOM 1435 O ALA A 109 6.490 -2.214 -4.450 1.00 0.00 O ATOM 1436 CB ALA A 109 5.267 -1.057 -7.254 1.00 0.00 C ATOM 0 H ALA A 109 6.103 0.439 -5.362 1.00 0.00 H new ATOM 0 HA ALA A 109 3.741 -1.280 -5.768 1.00 0.00 H new ATOM 0 HB1 ALA A 109 4.991 -1.972 -7.779 1.00 0.00 H new ATOM 0 HB2 ALA A 109 4.779 -0.205 -7.728 1.00 0.00 H new ATOM 0 HB3 ALA A 109 6.348 -0.926 -7.297 1.00 0.00 H new ATOM 1442 N ILE A 110 4.859 -3.529 -5.279 1.00 0.00 N ATOM 1443 CA ILE A 110 5.372 -4.745 -4.681 1.00 0.00 C ATOM 1444 C ILE A 110 5.597 -5.794 -5.761 1.00 0.00 C ATOM 1445 O ILE A 110 5.079 -5.669 -6.869 1.00 0.00 O ATOM 1446 CB ILE A 110 4.385 -5.251 -3.632 1.00 0.00 C ATOM 1447 CG1 ILE A 110 3.484 -4.103 -3.186 1.00 0.00 C ATOM 1448 CG2 ILE A 110 5.155 -5.790 -2.430 1.00 0.00 C ATOM 1449 CD1 ILE A 110 2.901 -4.419 -1.812 1.00 0.00 C ATOM 0 H ILE A 110 4.008 -3.658 -5.827 1.00 0.00 H new ATOM 0 HA ILE A 110 6.326 -4.542 -4.194 1.00 0.00 H new ATOM 0 HB ILE A 110 3.775 -6.046 -4.060 1.00 0.00 H new ATOM 0 HG12 ILE A 110 4.053 -3.174 -3.147 1.00 0.00 H new ATOM 0 HG13 ILE A 110 2.681 -3.955 -3.908 1.00 0.00 H new ATOM 0 HG21 ILE A 110 4.452 -6.152 -1.680 1.00 0.00 H new ATOM 0 HG22 ILE A 110 5.799 -6.609 -2.748 1.00 0.00 H new ATOM 0 HG23 ILE A 110 5.765 -4.994 -2.002 1.00 0.00 H new ATOM 0 HD11 ILE A 110 2.257 -3.599 -1.493 1.00 0.00 H new ATOM 0 HD12 ILE A 110 2.318 -5.338 -1.867 1.00 0.00 H new ATOM 0 HD13 ILE A 110 3.711 -4.545 -1.093 1.00 0.00 H new ATOM 1461 N SER A 111 6.372 -6.831 -5.436 1.00 0.00 N ATOM 1462 CA SER A 111 6.660 -7.895 -6.378 1.00 0.00 C ATOM 1463 C SER A 111 6.969 -9.181 -5.626 1.00 0.00 C ATOM 1464 O SER A 111 7.884 -9.220 -4.806 1.00 0.00 O ATOM 1465 CB SER A 111 7.837 -7.487 -7.259 1.00 0.00 C ATOM 1466 OG SER A 111 7.571 -7.852 -8.595 1.00 0.00 O ATOM 0 H SER A 111 6.809 -6.949 -4.522 1.00 0.00 H new ATOM 0 HA SER A 111 5.791 -8.070 -7.012 1.00 0.00 H new ATOM 0 HB2 SER A 111 8.001 -6.412 -7.190 1.00 0.00 H new ATOM 0 HB3 SER A 111 8.750 -7.972 -6.913 1.00 0.00 H new ATOM 0 HG SER A 111 8.326 -7.589 -9.162 1.00 0.00 H new ATOM 1472 N PHE A 112 6.203 -10.238 -5.907 1.00 0.00 N ATOM 1473 CA PHE A 112 6.401 -11.518 -5.258 1.00 0.00 C ATOM 1474 C PHE A 112 7.427 -12.336 -6.030 1.00 0.00 C ATOM 1475 O PHE A 112 7.197 -12.695 -7.183 1.00 0.00 O ATOM 1476 CB PHE A 112 5.068 -12.258 -5.178 1.00 0.00 C ATOM 1477 CG PHE A 112 4.184 -11.785 -4.049 1.00 0.00 C ATOM 1478 CD1 PHE A 112 3.750 -10.454 -4.010 1.00 0.00 C ATOM 1479 CD2 PHE A 112 3.799 -12.676 -3.040 1.00 0.00 C ATOM 1480 CE1 PHE A 112 2.932 -10.015 -2.963 1.00 0.00 C ATOM 1481 CE2 PHE A 112 2.981 -12.237 -1.993 1.00 0.00 C ATOM 1482 CZ PHE A 112 2.547 -10.906 -1.954 1.00 0.00 C ATOM 0 H PHE A 112 5.440 -10.223 -6.583 1.00 0.00 H new ATOM 0 HA PHE A 112 6.777 -11.363 -4.247 1.00 0.00 H new ATOM 0 HB2 PHE A 112 4.536 -12.135 -6.121 1.00 0.00 H new ATOM 0 HB3 PHE A 112 5.260 -13.324 -5.057 1.00 0.00 H new ATOM 0 HD1 PHE A 112 4.047 -9.766 -4.788 1.00 0.00 H new ATOM 0 HD2 PHE A 112 4.133 -13.702 -3.070 1.00 0.00 H new ATOM 0 HE1 PHE A 112 2.598 -8.989 -2.933 1.00 0.00 H new ATOM 0 HE2 PHE A 112 2.684 -12.925 -1.215 1.00 0.00 H new ATOM 0 HZ PHE A 112 1.916 -10.567 -1.146 1.00 0.00 H new ATOM 1492 N ASN A 113 8.562 -12.630 -5.391 1.00 0.00 N ATOM 1493 CA ASN A 113 9.613 -13.403 -6.021 1.00 0.00 C ATOM 1494 C ASN A 113 10.920 -13.215 -5.264 1.00 0.00 C ATOM 1495 O ASN A 113 11.109 -13.789 -4.194 1.00 0.00 O ATOM 1496 CB ASN A 113 9.763 -12.966 -7.475 1.00 0.00 C ATOM 1497 CG ASN A 113 9.819 -11.448 -7.582 1.00 0.00 C ATOM 1498 OD1 ASN A 113 10.874 -10.850 -7.384 1.00 0.00 O ATOM 1499 ND2 ASN A 113 8.681 -10.827 -7.899 1.00 0.00 N ATOM 0 H ASN A 113 8.769 -12.339 -4.435 1.00 0.00 H new ATOM 0 HA ASN A 113 9.353 -14.461 -5.998 1.00 0.00 H new ATOM 0 HB2 ASN A 113 10.670 -13.398 -7.897 1.00 0.00 H new ATOM 0 HB3 ASN A 113 8.926 -13.345 -8.061 1.00 0.00 H new ATOM 0 HD21 ASN A 113 8.662 -9.811 -7.987 1.00 0.00 H new ATOM 0 HD22 ASN A 113 7.831 -11.368 -8.054 1.00 0.00 H new TER 1506 ASN A 113