USER MOD reduce.3.24.130724 H: found=0, std=0, add=829, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 827 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -152:sc= -0.104 (180deg=-0.941) USER MOD Single : A 4 THR OG1 : rot 135:sc= 1.44 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 HIS :FLIP no HD1:sc= -0.609 F(o=-2.6!,f=-0.61) USER MOD Single : A 21 THR OG1 : rot 71:sc= 0.316 USER MOD Single : A 24 GLN : amide:sc= -0.236 X(o=-0.24,f=-0.24) USER MOD Single : A 27 TYR OH : rot 30:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 160:sc= 0.00982 USER MOD Single : A 70 GLN : amide:sc= -0.283 X(o=-0.28,f=0) USER MOD Single : A 72 SER OG : rot -52:sc= 0.147 USER MOD Single : A 74 TYR OH : rot 165:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot -124:sc= 0.143 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot -140:sc=-0.000669 USER MOD Single : A 105 LYS NZ :NH3+ 177:sc= -0.0043 (180deg=-0.0194) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot -71:sc= 1.27 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.430 -0.555 -0.605 1.00 2.30 N ATOM 2 CA MET A 1 2.398 0.427 -1.082 1.00 73.40 C ATOM 3 C MET A 1 3.824 -0.076 -0.884 1.00 43.15 C ATOM 4 O MET A 1 4.281 -0.247 0.246 1.00 34.34 O ATOM 5 CB MET A 1 2.208 1.758 -0.352 1.00 72.15 C ATOM 6 CG MET A 1 0.815 2.346 -0.513 1.00 63.22 C ATOM 7 SD MET A 1 0.611 3.233 -2.070 1.00 22.32 S ATOM 8 CE MET A 1 1.107 4.884 -1.586 1.00 3.30 C ATOM 0 H1 MET A 1 0.542 -0.454 -1.137 1.00 2.30 H new ATOM 0 H2 MET A 1 1.810 -1.513 -0.744 1.00 2.30 H new ATOM 0 H3 MET A 1 1.247 -0.399 0.407 1.00 2.30 H new ATOM 0 HA MET A 1 2.230 0.579 -2.148 1.00 73.40 H new ATOM 0 HB2 MET A 1 2.412 1.614 0.709 1.00 72.15 H new ATOM 0 HB3 MET A 1 2.941 2.474 -0.723 1.00 72.15 H new ATOM 0 HG2 MET A 1 0.078 1.545 -0.456 1.00 63.22 H new ATOM 0 HG3 MET A 1 0.613 3.024 0.316 1.00 63.22 H new ATOM 0 HE1 MET A 1 1.035 5.552 -2.444 1.00 3.30 H new ATOM 0 HE2 MET A 1 0.453 5.242 -0.791 1.00 3.30 H new ATOM 0 HE3 MET A 1 2.136 4.864 -1.227 1.00 3.30 H new ATOM 18 N ILE A 2 4.523 -0.310 -1.990 1.00 73.32 N ATOM 19 CA ILE A 2 5.897 -0.792 -1.937 1.00 63.32 C ATOM 20 C ILE A 2 6.816 0.238 -1.290 1.00 25.14 C ATOM 21 O ILE A 2 7.055 1.309 -1.847 1.00 43.13 O ATOM 22 CB ILE A 2 6.431 -1.128 -3.342 1.00 73.33 C ATOM 23 CG1 ILE A 2 5.514 -2.142 -4.031 1.00 11.52 C ATOM 24 CG2 ILE A 2 7.852 -1.665 -3.255 1.00 75.11 C ATOM 25 CD1 ILE A 2 5.427 -3.467 -3.307 1.00 15.22 C ATOM 0 H ILE A 2 4.160 -0.173 -2.933 1.00 73.32 H new ATOM 0 HA ILE A 2 5.889 -1.700 -1.333 1.00 63.32 H new ATOM 0 HB ILE A 2 6.445 -0.215 -3.937 1.00 73.33 H new ATOM 0 HG12 ILE A 2 4.514 -1.717 -4.115 1.00 11.52 H new ATOM 0 HG13 ILE A 2 5.874 -2.314 -5.045 1.00 11.52 H new ATOM 0 HG21 ILE A 2 8.215 -1.898 -4.256 1.00 75.11 H new ATOM 0 HG22 ILE A 2 8.498 -0.914 -2.800 1.00 75.11 H new ATOM 0 HG23 ILE A 2 7.863 -2.569 -2.646 1.00 75.11 H new ATOM 0 HD11 ILE A 2 4.761 -4.136 -3.851 1.00 15.22 H new ATOM 0 HD12 ILE A 2 6.419 -3.914 -3.246 1.00 15.22 H new ATOM 0 HD13 ILE A 2 5.038 -3.307 -2.301 1.00 15.22 H new ATOM 37 N ARG A 3 7.331 -0.095 -0.110 1.00 52.42 N ATOM 38 CA ARG A 3 8.225 0.801 0.613 1.00 12.34 C ATOM 39 C ARG A 3 9.683 0.493 0.288 1.00 4.31 C ATOM 40 O ARG A 3 10.418 1.354 -0.198 1.00 3.04 O ATOM 41 CB ARG A 3 7.991 0.682 2.121 1.00 61.25 C ATOM 42 CG ARG A 3 8.302 1.956 2.888 1.00 11.30 C ATOM 43 CD ARG A 3 7.276 3.042 2.604 1.00 51.13 C ATOM 44 NE ARG A 3 7.342 4.127 3.579 1.00 22.24 N ATOM 45 CZ ARG A 3 6.548 5.191 3.550 1.00 35.25 C ATOM 46 NH1 ARG A 3 5.631 5.312 2.600 1.00 12.13 N ATOM 47 NH2 ARG A 3 6.669 6.136 4.474 1.00 53.23 N ATOM 0 H ARG A 3 7.144 -0.978 0.365 1.00 52.42 H new ATOM 0 HA ARG A 3 8.008 1.822 0.298 1.00 12.34 H new ATOM 0 HB2 ARG A 3 6.951 0.406 2.298 1.00 61.25 H new ATOM 0 HB3 ARG A 3 8.607 -0.127 2.513 1.00 61.25 H new ATOM 0 HG2 ARG A 3 8.321 1.743 3.957 1.00 11.30 H new ATOM 0 HG3 ARG A 3 9.295 2.312 2.616 1.00 11.30 H new ATOM 0 HD2 ARG A 3 7.440 3.443 1.604 1.00 51.13 H new ATOM 0 HD3 ARG A 3 6.276 2.607 2.613 1.00 51.13 H new ATOM 0 HE ARG A 3 8.036 4.064 4.324 1.00 22.24 H new ATOM 0 HH11 ARG A 3 5.534 4.587 1.889 1.00 12.13 H new ATOM 0 HH12 ARG A 3 5.022 6.130 2.580 1.00 12.13 H new ATOM 0 HH21 ARG A 3 7.372 6.045 5.207 1.00 53.23 H new ATOM 0 HH22 ARG A 3 6.059 6.953 4.451 1.00 53.23 H new ATOM 61 N THR A 4 10.097 -0.741 0.560 1.00 42.35 N ATOM 62 CA THR A 4 11.468 -1.162 0.298 1.00 74.23 C ATOM 63 C THR A 4 11.506 -2.555 -0.321 1.00 13.03 C ATOM 64 O THR A 4 10.518 -3.289 -0.281 1.00 21.35 O ATOM 65 CB THR A 4 12.311 -1.162 1.586 1.00 4.33 C ATOM 66 OG1 THR A 4 11.712 -2.019 2.565 1.00 43.25 O ATOM 67 CG2 THR A 4 12.440 0.246 2.149 1.00 73.04 C ATOM 0 H THR A 4 9.502 -1.466 0.962 1.00 42.35 H new ATOM 0 HA THR A 4 11.891 -0.443 -0.404 1.00 74.23 H new ATOM 0 HB THR A 4 13.307 -1.531 1.341 1.00 4.33 H new ATOM 0 HG1 THR A 4 12.404 -2.576 2.979 1.00 43.25 H new ATOM 0 HG21 THR A 4 13.040 0.221 3.059 1.00 73.04 H new ATOM 0 HG22 THR A 4 12.923 0.889 1.414 1.00 73.04 H new ATOM 0 HG23 THR A 4 11.449 0.638 2.378 1.00 73.04 H new ATOM 75 N ILE A 5 12.651 -2.913 -0.891 1.00 41.33 N ATOM 76 CA ILE A 5 12.817 -4.219 -1.516 1.00 44.14 C ATOM 77 C ILE A 5 14.187 -4.810 -1.199 1.00 13.02 C ATOM 78 O ILE A 5 15.168 -4.082 -1.043 1.00 23.41 O ATOM 79 CB ILE A 5 12.648 -4.137 -3.045 1.00 30.20 C ATOM 80 CG1 ILE A 5 11.333 -3.439 -3.398 1.00 0.14 C ATOM 81 CG2 ILE A 5 12.696 -5.529 -3.658 1.00 43.43 C ATOM 82 CD1 ILE A 5 11.173 -3.163 -4.876 1.00 72.43 C ATOM 0 H ILE A 5 13.478 -2.317 -0.933 1.00 41.33 H new ATOM 0 HA ILE A 5 12.041 -4.866 -1.107 1.00 44.14 H new ATOM 0 HB ILE A 5 13.470 -3.551 -3.456 1.00 30.20 H new ATOM 0 HG12 ILE A 5 10.501 -4.057 -3.060 1.00 0.14 H new ATOM 0 HG13 ILE A 5 11.273 -2.497 -2.852 1.00 0.14 H new ATOM 0 HG21 ILE A 5 12.575 -5.455 -4.739 1.00 43.43 H new ATOM 0 HG22 ILE A 5 13.656 -5.994 -3.431 1.00 43.43 H new ATOM 0 HG23 ILE A 5 11.892 -6.137 -3.244 1.00 43.43 H new ATOM 0 HD11 ILE A 5 10.219 -2.667 -5.052 1.00 72.43 H new ATOM 0 HD12 ILE A 5 11.985 -2.520 -5.216 1.00 72.43 H new ATOM 0 HD13 ILE A 5 11.200 -4.103 -5.427 1.00 72.43 H new ATOM 94 N LEU A 6 14.246 -6.134 -1.106 1.00 3.21 N ATOM 95 CA LEU A 6 15.496 -6.824 -0.809 1.00 24.52 C ATOM 96 C LEU A 6 15.744 -7.955 -1.803 1.00 14.22 C ATOM 97 O LEU A 6 14.861 -8.774 -2.058 1.00 65.01 O ATOM 98 CB LEU A 6 15.469 -7.380 0.616 1.00 11.01 C ATOM 99 CG LEU A 6 16.784 -7.300 1.393 1.00 35.50 C ATOM 100 CD1 LEU A 6 17.855 -8.142 0.717 1.00 33.42 C ATOM 101 CD2 LEU A 6 17.241 -5.855 1.521 1.00 52.30 C ATOM 0 H LEU A 6 13.443 -6.751 -1.232 1.00 3.21 H new ATOM 0 HA LEU A 6 16.309 -6.103 -0.896 1.00 24.52 H new ATOM 0 HB2 LEU A 6 14.704 -6.845 1.179 1.00 11.01 H new ATOM 0 HB3 LEU A 6 15.160 -8.424 0.571 1.00 11.01 H new ATOM 0 HG LEU A 6 16.617 -7.697 2.394 1.00 35.50 H new ATOM 0 HD11 LEU A 6 18.784 -8.073 1.284 1.00 33.42 H new ATOM 0 HD12 LEU A 6 17.530 -9.182 0.678 1.00 33.42 H new ATOM 0 HD13 LEU A 6 18.020 -7.776 -0.296 1.00 33.42 H new ATOM 0 HD21 LEU A 6 18.178 -5.818 2.077 1.00 52.30 H new ATOM 0 HD22 LEU A 6 17.391 -5.431 0.528 1.00 52.30 H new ATOM 0 HD23 LEU A 6 16.482 -5.279 2.050 1.00 52.30 H new ATOM 113 N ALA A 7 16.950 -7.994 -2.359 1.00 11.50 N ATOM 114 CA ALA A 7 17.315 -9.026 -3.321 1.00 53.34 C ATOM 115 C ALA A 7 18.651 -9.665 -2.960 1.00 70.43 C ATOM 116 O ALA A 7 19.547 -9.001 -2.440 1.00 45.42 O ATOM 117 CB ALA A 7 17.369 -8.442 -4.726 1.00 31.54 C ATOM 0 H ALA A 7 17.691 -7.322 -2.160 1.00 11.50 H new ATOM 0 HA ALA A 7 16.551 -9.803 -3.291 1.00 53.34 H new ATOM 0 HB1 ALA A 7 17.643 -9.224 -5.435 1.00 31.54 H new ATOM 0 HB2 ALA A 7 16.391 -8.039 -4.990 1.00 31.54 H new ATOM 0 HB3 ALA A 7 18.112 -7.645 -4.760 1.00 31.54 H new ATOM 123 N ILE A 8 18.777 -10.959 -3.238 1.00 51.45 N ATOM 124 CA ILE A 8 20.004 -11.687 -2.943 1.00 23.11 C ATOM 125 C ILE A 8 20.339 -12.675 -4.055 1.00 53.14 C ATOM 126 O ILE A 8 19.624 -13.655 -4.265 1.00 55.22 O ATOM 127 CB ILE A 8 19.899 -12.450 -1.609 1.00 50.30 C ATOM 128 CG1 ILE A 8 19.492 -11.497 -0.483 1.00 33.52 C ATOM 129 CG2 ILE A 8 21.220 -13.131 -1.283 1.00 13.34 C ATOM 130 CD1 ILE A 8 17.998 -11.436 -0.254 1.00 73.11 C ATOM 0 H ILE A 8 18.044 -11.524 -3.667 1.00 51.45 H new ATOM 0 HA ILE A 8 20.800 -10.946 -2.867 1.00 23.11 H new ATOM 0 HB ILE A 8 19.131 -13.218 -1.705 1.00 50.30 H new ATOM 0 HG12 ILE A 8 19.981 -11.809 0.440 1.00 33.52 H new ATOM 0 HG13 ILE A 8 19.857 -10.496 -0.715 1.00 33.52 H new ATOM 0 HG21 ILE A 8 21.130 -13.666 -0.338 1.00 13.34 H new ATOM 0 HG22 ILE A 8 21.472 -13.835 -2.076 1.00 13.34 H new ATOM 0 HG23 ILE A 8 22.006 -12.380 -1.202 1.00 13.34 H new ATOM 0 HD11 ILE A 8 17.782 -10.741 0.558 1.00 73.11 H new ATOM 0 HD12 ILE A 8 17.504 -11.095 -1.164 1.00 73.11 H new ATOM 0 HD13 ILE A 8 17.629 -12.427 0.009 1.00 73.11 H new ATOM 142 N ASP A 9 21.431 -12.411 -4.764 1.00 72.43 N ATOM 143 CA ASP A 9 21.863 -13.279 -5.854 1.00 53.22 C ATOM 144 C ASP A 9 23.354 -13.583 -5.748 1.00 51.34 C ATOM 145 O ASP A 9 24.059 -13.002 -4.923 1.00 51.10 O ATOM 146 CB ASP A 9 21.557 -12.628 -7.204 1.00 74.21 C ATOM 147 CG ASP A 9 20.070 -12.564 -7.492 1.00 15.53 C ATOM 148 OD1 ASP A 9 19.661 -12.970 -8.600 1.00 31.12 O ATOM 149 OD2 ASP A 9 19.314 -12.107 -6.608 1.00 62.24 O ATOM 0 H ASP A 9 22.033 -11.603 -4.604 1.00 72.43 H new ATOM 0 HA ASP A 9 21.313 -14.217 -5.779 1.00 53.22 H new ATOM 0 HB2 ASP A 9 21.971 -11.620 -7.220 1.00 74.21 H new ATOM 0 HB3 ASP A 9 22.054 -13.189 -7.996 1.00 74.21 H new ATOM 154 N ASP A 10 23.827 -14.497 -6.588 1.00 50.22 N ATOM 155 CA ASP A 10 25.234 -14.878 -6.589 1.00 65.35 C ATOM 156 C ASP A 10 26.021 -14.052 -7.602 1.00 53.32 C ATOM 157 O ASP A 10 27.040 -13.448 -7.268 1.00 64.52 O ATOM 158 CB ASP A 10 25.381 -16.368 -6.905 1.00 11.23 C ATOM 159 CG ASP A 10 24.950 -17.249 -5.749 1.00 31.30 C ATOM 160 OD1 ASP A 10 25.617 -17.213 -4.694 1.00 11.24 O ATOM 161 OD2 ASP A 10 23.945 -17.975 -5.900 1.00 10.15 O ATOM 0 H ASP A 10 23.257 -14.988 -7.277 1.00 50.22 H new ATOM 0 HA ASP A 10 25.638 -14.683 -5.595 1.00 65.35 H new ATOM 0 HB2 ASP A 10 24.785 -16.611 -7.785 1.00 11.23 H new ATOM 0 HB3 ASP A 10 26.420 -16.583 -7.154 1.00 11.23 H new ATOM 166 N SER A 11 25.540 -14.030 -8.841 1.00 51.32 N ATOM 167 CA SER A 11 26.200 -13.281 -9.904 1.00 64.22 C ATOM 168 C SER A 11 26.113 -11.780 -9.647 1.00 2.04 C ATOM 169 O SER A 11 25.023 -11.219 -9.545 1.00 54.12 O ATOM 170 CB SER A 11 25.572 -13.615 -11.258 1.00 73.14 C ATOM 171 OG SER A 11 26.321 -13.052 -12.321 1.00 53.43 O ATOM 0 H SER A 11 24.696 -14.522 -9.133 1.00 51.32 H new ATOM 0 HA SER A 11 27.251 -13.569 -9.918 1.00 64.22 H new ATOM 0 HB2 SER A 11 25.518 -14.697 -11.380 1.00 73.14 H new ATOM 0 HB3 SER A 11 24.549 -13.239 -11.291 1.00 73.14 H new ATOM 0 HG SER A 11 25.900 -13.282 -13.176 1.00 53.43 H new ATOM 177 N ALA A 12 27.271 -11.136 -9.542 1.00 11.21 N ATOM 178 CA ALA A 12 27.327 -9.700 -9.298 1.00 53.22 C ATOM 179 C ALA A 12 26.461 -8.939 -10.297 1.00 62.33 C ATOM 180 O ALA A 12 25.801 -7.961 -9.945 1.00 44.12 O ATOM 181 CB ALA A 12 28.765 -9.209 -9.362 1.00 65.15 C ATOM 0 H ALA A 12 28.183 -11.586 -9.622 1.00 11.21 H new ATOM 0 HA ALA A 12 26.935 -9.511 -8.299 1.00 53.22 H new ATOM 0 HB1 ALA A 12 28.791 -8.135 -9.178 1.00 65.15 H new ATOM 0 HB2 ALA A 12 29.359 -9.722 -8.605 1.00 65.15 H new ATOM 0 HB3 ALA A 12 29.177 -9.418 -10.349 1.00 65.15 H new ATOM 187 N THR A 13 26.468 -9.395 -11.546 1.00 44.54 N ATOM 188 CA THR A 13 25.686 -8.756 -12.597 1.00 72.10 C ATOM 189 C THR A 13 24.201 -8.754 -12.252 1.00 71.03 C ATOM 190 O THR A 13 23.489 -7.792 -12.538 1.00 42.25 O ATOM 191 CB THR A 13 25.885 -9.460 -13.953 1.00 5.34 C ATOM 192 OG1 THR A 13 27.275 -9.471 -14.299 1.00 31.34 O ATOM 193 CG2 THR A 13 25.091 -8.762 -15.047 1.00 21.24 C ATOM 0 H THR A 13 27.007 -10.204 -11.854 1.00 44.54 H new ATOM 0 HA THR A 13 26.041 -7.728 -12.674 1.00 72.10 H new ATOM 0 HB THR A 13 25.525 -10.485 -13.862 1.00 5.34 H new ATOM 0 HG1 THR A 13 27.394 -9.922 -15.161 1.00 31.34 H new ATOM 0 HG21 THR A 13 25.247 -9.277 -15.995 1.00 21.24 H new ATOM 0 HG22 THR A 13 24.031 -8.780 -14.795 1.00 21.24 H new ATOM 0 HG23 THR A 13 25.425 -7.728 -15.136 1.00 21.24 H new ATOM 201 N MET A 14 23.740 -9.837 -11.635 1.00 71.25 N ATOM 202 CA MET A 14 22.339 -9.958 -11.250 1.00 34.40 C ATOM 203 C MET A 14 21.995 -8.976 -10.135 1.00 54.21 C ATOM 204 O MET A 14 20.970 -8.295 -10.189 1.00 61.33 O ATOM 205 CB MET A 14 22.034 -11.388 -10.798 1.00 13.10 C ATOM 206 CG MET A 14 22.047 -12.400 -11.932 1.00 50.32 C ATOM 207 SD MET A 14 20.689 -12.159 -13.094 1.00 32.24 S ATOM 208 CE MET A 14 21.578 -11.590 -14.541 1.00 34.42 C ATOM 0 H MET A 14 24.316 -10.643 -11.391 1.00 71.25 H new ATOM 0 HA MET A 14 21.727 -9.721 -12.120 1.00 34.40 H new ATOM 0 HB2 MET A 14 22.765 -11.687 -10.047 1.00 13.10 H new ATOM 0 HB3 MET A 14 21.057 -11.407 -10.316 1.00 13.10 H new ATOM 0 HG2 MET A 14 22.994 -12.329 -12.466 1.00 50.32 H new ATOM 0 HG3 MET A 14 21.990 -13.406 -11.517 1.00 50.32 H new ATOM 0 HE1 MET A 14 20.872 -11.397 -15.349 1.00 34.42 H new ATOM 0 HE2 MET A 14 22.114 -10.672 -14.301 1.00 34.42 H new ATOM 0 HE3 MET A 14 22.289 -12.354 -14.855 1.00 34.42 H new ATOM 218 N ARG A 15 22.856 -8.908 -9.126 1.00 4.52 N ATOM 219 CA ARG A 15 22.642 -8.009 -7.998 1.00 21.23 C ATOM 220 C ARG A 15 22.526 -6.563 -8.469 1.00 50.40 C ATOM 221 O ARG A 15 21.735 -5.787 -7.934 1.00 11.42 O ATOM 222 CB ARG A 15 23.787 -8.138 -6.991 1.00 33.41 C ATOM 223 CG ARG A 15 23.557 -9.214 -5.942 1.00 34.01 C ATOM 224 CD ARG A 15 24.746 -9.339 -5.002 1.00 73.33 C ATOM 225 NE ARG A 15 25.066 -8.071 -4.353 1.00 20.12 N ATOM 226 CZ ARG A 15 26.210 -7.838 -3.720 1.00 45.11 C ATOM 227 NH1 ARG A 15 27.139 -8.782 -3.652 1.00 72.25 N ATOM 228 NH2 ARG A 15 26.428 -6.658 -3.154 1.00 4.13 N ATOM 0 H ARG A 15 23.709 -9.465 -9.066 1.00 4.52 H new ATOM 0 HA ARG A 15 21.707 -8.291 -7.514 1.00 21.23 H new ATOM 0 HB2 ARG A 15 24.709 -8.358 -7.529 1.00 33.41 H new ATOM 0 HB3 ARG A 15 23.930 -7.180 -6.491 1.00 33.41 H new ATOM 0 HG2 ARG A 15 22.661 -8.978 -5.368 1.00 34.01 H new ATOM 0 HG3 ARG A 15 23.378 -10.170 -6.433 1.00 34.01 H new ATOM 0 HD2 ARG A 15 24.530 -10.091 -4.243 1.00 73.33 H new ATOM 0 HD3 ARG A 15 25.614 -9.690 -5.560 1.00 73.33 H new ATOM 0 HE ARG A 15 24.373 -7.323 -4.388 1.00 20.12 H new ATOM 0 HH11 ARG A 15 26.976 -9.690 -4.087 1.00 72.25 H new ATOM 0 HH12 ARG A 15 28.017 -8.600 -3.165 1.00 72.25 H new ATOM 0 HH21 ARG A 15 25.717 -5.929 -3.205 1.00 4.13 H new ATOM 0 HH22 ARG A 15 27.307 -6.480 -2.668 1.00 4.13 H new ATOM 242 N ALA A 16 23.320 -6.207 -9.474 1.00 22.53 N ATOM 243 CA ALA A 16 23.305 -4.855 -10.018 1.00 25.41 C ATOM 244 C ALA A 16 22.132 -4.661 -10.972 1.00 43.54 C ATOM 245 O ALA A 16 21.417 -3.661 -10.897 1.00 15.12 O ATOM 246 CB ALA A 16 24.619 -4.557 -10.725 1.00 40.23 C ATOM 0 H ALA A 16 23.982 -6.837 -9.928 1.00 22.53 H new ATOM 0 HA ALA A 16 23.184 -4.157 -9.190 1.00 25.41 H new ATOM 0 HB1 ALA A 16 24.594 -3.544 -11.127 1.00 40.23 H new ATOM 0 HB2 ALA A 16 25.442 -4.646 -10.016 1.00 40.23 H new ATOM 0 HB3 ALA A 16 24.763 -5.267 -11.540 1.00 40.23 H new ATOM 252 N LEU A 17 21.941 -5.621 -11.870 1.00 55.42 N ATOM 253 CA LEU A 17 20.854 -5.554 -12.841 1.00 34.30 C ATOM 254 C LEU A 17 19.515 -5.327 -12.145 1.00 44.53 C ATOM 255 O LEU A 17 18.853 -4.312 -12.368 1.00 35.44 O ATOM 256 CB LEU A 17 20.800 -6.842 -13.665 1.00 42.11 C ATOM 257 CG LEU A 17 19.958 -6.788 -14.940 1.00 34.41 C ATOM 258 CD1 LEU A 17 18.475 -6.784 -14.600 1.00 42.31 C ATOM 259 CD2 LEU A 17 20.321 -5.565 -15.768 1.00 54.33 C ATOM 0 H LEU A 17 22.524 -6.454 -11.946 1.00 55.42 H new ATOM 0 HA LEU A 17 21.045 -4.712 -13.506 1.00 34.30 H new ATOM 0 HB2 LEU A 17 21.819 -7.118 -13.938 1.00 42.11 H new ATOM 0 HB3 LEU A 17 20.412 -7.639 -13.031 1.00 42.11 H new ATOM 0 HG LEU A 17 20.172 -7.678 -15.532 1.00 34.41 H new ATOM 0 HD11 LEU A 17 17.891 -6.745 -15.520 1.00 42.31 H new ATOM 0 HD12 LEU A 17 18.225 -7.691 -14.050 1.00 42.31 H new ATOM 0 HD13 LEU A 17 18.245 -5.913 -13.987 1.00 42.31 H new ATOM 0 HD21 LEU A 17 19.712 -5.543 -16.671 1.00 54.33 H new ATOM 0 HD22 LEU A 17 20.137 -4.663 -15.185 1.00 54.33 H new ATOM 0 HD23 LEU A 17 21.375 -5.611 -16.042 1.00 54.33 H new ATOM 271 N LEU A 18 19.125 -6.275 -11.301 1.00 54.20 N ATOM 272 CA LEU A 18 17.866 -6.177 -10.570 1.00 31.00 C ATOM 273 C LEU A 18 17.807 -4.888 -9.757 1.00 41.42 C ATOM 274 O LEU A 18 16.816 -4.159 -9.801 1.00 14.43 O ATOM 275 CB LEU A 18 17.695 -7.384 -9.646 1.00 20.00 C ATOM 276 CG LEU A 18 17.864 -8.757 -10.297 1.00 71.12 C ATOM 277 CD1 LEU A 18 18.350 -9.775 -9.278 1.00 23.33 C ATOM 278 CD2 LEU A 18 16.556 -9.213 -10.927 1.00 32.31 C ATOM 0 H LEU A 18 19.662 -7.120 -11.106 1.00 54.20 H new ATOM 0 HA LEU A 18 17.053 -6.164 -11.296 1.00 31.00 H new ATOM 0 HB2 LEU A 18 18.416 -7.299 -8.833 1.00 20.00 H new ATOM 0 HB3 LEU A 18 16.702 -7.336 -9.199 1.00 20.00 H new ATOM 0 HG LEU A 18 18.614 -8.675 -11.084 1.00 71.12 H new ATOM 0 HD11 LEU A 18 18.464 -10.746 -9.760 1.00 23.33 H new ATOM 0 HD12 LEU A 18 19.310 -9.455 -8.874 1.00 23.33 H new ATOM 0 HD13 LEU A 18 17.624 -9.855 -8.469 1.00 23.33 H new ATOM 0 HD21 LEU A 18 16.695 -10.192 -11.386 1.00 32.31 H new ATOM 0 HD22 LEU A 18 15.785 -9.278 -10.159 1.00 32.31 H new ATOM 0 HD23 LEU A 18 16.249 -8.496 -11.688 1.00 32.31 H new ATOM 290 N HIS A 19 18.876 -4.611 -9.017 1.00 64.05 N ATOM 291 CA HIS A 19 18.948 -3.407 -8.197 1.00 34.44 C ATOM 292 C HIS A 19 18.632 -2.166 -9.025 1.00 11.52 C ATOM 293 O HIS A 19 17.928 -1.265 -8.568 1.00 23.32 O ATOM 294 CB HIS A 19 20.334 -3.276 -7.567 1.00 4.44 C ATOM 295 CG HIS A 19 20.520 -2.011 -6.786 1.00 40.11 C ATOM 296 ND1 HIS A 19 19.793 -1.479 -5.776 1.00 15.34 N flip ATOM 297 CD2 HIS A 19 21.557 -1.131 -7.015 1.00 32.22 C flip ATOM 298 CE1 HIS A 19 20.398 -0.300 -5.415 1.00 31.34 C flip ATOM 299 NE2 HIS A 19 21.460 -0.113 -6.178 1.00 74.32 N flip ATOM 0 H HIS A 19 19.704 -5.204 -8.968 1.00 64.05 H new ATOM 0 HA HIS A 19 18.204 -3.492 -7.405 1.00 34.44 H new ATOM 0 HB2 HIS A 19 20.507 -4.128 -6.910 1.00 4.44 H new ATOM 0 HB3 HIS A 19 21.087 -3.322 -8.353 1.00 4.44 H new ATOM 0 HD2 HIS A 19 22.328 -1.255 -7.761 1.00 32.22 H new ATOM 0 HE1 HIS A 19 20.060 0.366 -4.634 1.00 31.34 H new ATOM 0 HE2 HIS A 19 22.097 0.682 -6.129 1.00 74.32 H new ATOM 307 N ALA A 20 19.158 -2.124 -10.245 1.00 31.34 N ATOM 308 CA ALA A 20 18.931 -0.994 -11.136 1.00 41.15 C ATOM 309 C ALA A 20 17.502 -0.993 -11.670 1.00 25.33 C ATOM 310 O ALA A 20 16.839 0.044 -11.697 1.00 34.33 O ATOM 311 CB ALA A 20 19.926 -1.022 -12.287 1.00 40.33 C ATOM 0 H ALA A 20 19.744 -2.860 -10.638 1.00 31.34 H new ATOM 0 HA ALA A 20 19.078 -0.078 -10.564 1.00 41.15 H new ATOM 0 HB1 ALA A 20 19.745 -0.172 -12.945 1.00 40.33 H new ATOM 0 HB2 ALA A 20 20.941 -0.966 -11.892 1.00 40.33 H new ATOM 0 HB3 ALA A 20 19.806 -1.948 -12.849 1.00 40.33 H new ATOM 317 N THR A 21 17.034 -2.163 -12.095 1.00 13.44 N ATOM 318 CA THR A 21 15.684 -2.296 -12.629 1.00 64.50 C ATOM 319 C THR A 21 14.654 -1.699 -11.677 1.00 63.23 C ATOM 320 O THR A 21 13.724 -1.013 -12.104 1.00 23.14 O ATOM 321 CB THR A 21 15.328 -3.772 -12.893 1.00 4.24 C ATOM 322 OG1 THR A 21 16.474 -4.471 -13.392 1.00 42.51 O ATOM 323 CG2 THR A 21 14.186 -3.883 -13.891 1.00 13.34 C ATOM 0 H THR A 21 17.569 -3.031 -12.080 1.00 13.44 H new ATOM 0 HA THR A 21 15.662 -1.750 -13.572 1.00 64.50 H new ATOM 0 HB THR A 21 15.011 -4.220 -11.951 1.00 4.24 H new ATOM 0 HG1 THR A 21 17.133 -4.573 -12.674 1.00 42.51 H new ATOM 0 HG21 THR A 21 13.953 -4.934 -14.061 1.00 13.34 H new ATOM 0 HG22 THR A 21 13.306 -3.375 -13.495 1.00 13.34 H new ATOM 0 HG23 THR A 21 14.479 -3.419 -14.833 1.00 13.34 H new ATOM 331 N LEU A 22 14.825 -1.963 -10.387 1.00 23.24 N ATOM 332 CA LEU A 22 13.910 -1.450 -9.373 1.00 71.50 C ATOM 333 C LEU A 22 14.276 -0.023 -8.981 1.00 3.25 C ATOM 334 O LEU A 22 13.402 0.807 -8.732 1.00 21.22 O ATOM 335 CB LEU A 22 13.929 -2.352 -8.137 1.00 70.15 C ATOM 336 CG LEU A 22 13.091 -3.628 -8.225 1.00 32.04 C ATOM 337 CD1 LEU A 22 13.456 -4.585 -7.100 1.00 42.52 C ATOM 338 CD2 LEU A 22 11.607 -3.295 -8.183 1.00 15.02 C ATOM 0 H LEU A 22 15.589 -2.529 -10.018 1.00 23.24 H new ATOM 0 HA LEU A 22 12.905 -1.444 -9.795 1.00 71.50 H new ATOM 0 HB2 LEU A 22 14.962 -2.633 -7.933 1.00 70.15 H new ATOM 0 HB3 LEU A 22 13.582 -1.771 -7.283 1.00 70.15 H new ATOM 0 HG LEU A 22 13.307 -4.117 -9.175 1.00 32.04 H new ATOM 0 HD11 LEU A 22 12.850 -5.487 -7.179 1.00 42.52 H new ATOM 0 HD12 LEU A 22 14.511 -4.849 -7.175 1.00 42.52 H new ATOM 0 HD13 LEU A 22 13.269 -4.105 -6.139 1.00 42.52 H new ATOM 0 HD21 LEU A 22 11.026 -4.215 -8.247 1.00 15.02 H new ATOM 0 HD22 LEU A 22 11.375 -2.783 -7.249 1.00 15.02 H new ATOM 0 HD23 LEU A 22 11.355 -2.648 -9.023 1.00 15.02 H new ATOM 350 N ALA A 23 15.575 0.257 -8.929 1.00 74.51 N ATOM 351 CA ALA A 23 16.057 1.585 -8.571 1.00 74.24 C ATOM 352 C ALA A 23 15.510 2.642 -9.524 1.00 50.34 C ATOM 353 O ALA A 23 14.932 3.640 -9.093 1.00 24.30 O ATOM 354 CB ALA A 23 17.578 1.611 -8.567 1.00 71.14 C ATOM 0 H ALA A 23 16.312 -0.419 -9.130 1.00 74.51 H new ATOM 0 HA ALA A 23 15.698 1.817 -7.568 1.00 74.24 H new ATOM 0 HB1 ALA A 23 17.924 2.609 -8.298 1.00 71.14 H new ATOM 0 HB2 ALA A 23 17.952 0.889 -7.841 1.00 71.14 H new ATOM 0 HB3 ALA A 23 17.949 1.354 -9.559 1.00 71.14 H new ATOM 360 N GLN A 24 15.697 2.417 -10.821 1.00 1.31 N ATOM 361 CA GLN A 24 15.223 3.353 -11.834 1.00 63.42 C ATOM 362 C GLN A 24 13.726 3.603 -11.687 1.00 21.33 C ATOM 363 O GLN A 24 13.243 4.705 -11.943 1.00 51.01 O ATOM 364 CB GLN A 24 15.528 2.817 -13.235 1.00 15.45 C ATOM 365 CG GLN A 24 17.004 2.858 -13.594 1.00 21.33 C ATOM 366 CD GLN A 24 17.579 4.259 -13.542 1.00 3.30 C ATOM 367 OE1 GLN A 24 18.380 4.582 -12.664 1.00 45.03 O ATOM 368 NE2 GLN A 24 17.173 5.102 -14.485 1.00 31.52 N ATOM 0 H GLN A 24 16.173 1.596 -11.195 1.00 1.31 H new ATOM 0 HA GLN A 24 15.746 4.299 -11.692 1.00 63.42 H new ATOM 0 HB2 GLN A 24 15.174 1.789 -13.307 1.00 15.45 H new ATOM 0 HB3 GLN A 24 14.968 3.399 -13.967 1.00 15.45 H new ATOM 0 HG2 GLN A 24 17.558 2.216 -12.909 1.00 21.33 H new ATOM 0 HG3 GLN A 24 17.142 2.450 -14.595 1.00 21.33 H new ATOM 0 HE21 GLN A 24 16.508 4.793 -15.194 1.00 31.52 H new ATOM 0 HE22 GLN A 24 17.526 6.059 -14.500 1.00 31.52 H new ATOM 377 N ALA A 25 12.997 2.572 -11.272 1.00 70.33 N ATOM 378 CA ALA A 25 11.555 2.680 -11.089 1.00 40.32 C ATOM 379 C ALA A 25 11.218 3.605 -9.925 1.00 14.33 C ATOM 380 O ALA A 25 10.106 4.125 -9.834 1.00 21.33 O ATOM 381 CB ALA A 25 10.946 1.304 -10.866 1.00 22.10 C ATOM 0 H ALA A 25 13.382 1.652 -11.056 1.00 70.33 H new ATOM 0 HA ALA A 25 11.130 3.110 -11.996 1.00 40.32 H new ATOM 0 HB1 ALA A 25 9.869 1.400 -10.731 1.00 22.10 H new ATOM 0 HB2 ALA A 25 11.148 0.672 -11.731 1.00 22.10 H new ATOM 0 HB3 ALA A 25 11.384 0.852 -9.976 1.00 22.10 H new ATOM 387 N GLY A 26 12.185 3.806 -9.035 1.00 1.31 N ATOM 388 CA GLY A 26 11.970 4.668 -7.887 1.00 50.23 C ATOM 389 C GLY A 26 11.984 3.905 -6.578 1.00 72.40 C ATOM 390 O GLY A 26 12.408 4.431 -5.549 1.00 24.40 O ATOM 0 H GLY A 26 13.114 3.387 -9.088 1.00 1.31 H new ATOM 0 HA2 GLY A 26 12.743 5.437 -7.864 1.00 50.23 H new ATOM 0 HA3 GLY A 26 11.014 5.180 -7.995 1.00 50.23 H new ATOM 394 N TYR A 27 11.517 2.662 -6.615 1.00 60.52 N ATOM 395 CA TYR A 27 11.473 1.825 -5.421 1.00 44.55 C ATOM 396 C TYR A 27 12.837 1.779 -4.739 1.00 61.41 C ATOM 397 O TYR A 27 13.870 1.969 -5.380 1.00 22.11 O ATOM 398 CB TYR A 27 11.022 0.409 -5.782 1.00 11.15 C ATOM 399 CG TYR A 27 9.767 0.369 -6.624 1.00 42.43 C ATOM 400 CD1 TYR A 27 9.791 -0.139 -7.917 1.00 44.24 C ATOM 401 CD2 TYR A 27 8.558 0.841 -6.128 1.00 61.33 C ATOM 402 CE1 TYR A 27 8.648 -0.176 -8.692 1.00 32.54 C ATOM 403 CE2 TYR A 27 7.409 0.805 -6.895 1.00 3.53 C ATOM 404 CZ TYR A 27 7.459 0.296 -8.176 1.00 2.34 C ATOM 405 OH TYR A 27 6.317 0.261 -8.943 1.00 23.13 O ATOM 0 H TYR A 27 11.163 2.211 -7.459 1.00 60.52 H new ATOM 0 HA TYR A 27 10.754 2.262 -4.727 1.00 44.55 H new ATOM 0 HB2 TYR A 27 11.826 -0.093 -6.320 1.00 11.15 H new ATOM 0 HB3 TYR A 27 10.852 -0.154 -4.864 1.00 11.15 H new ATOM 0 HD1 TYR A 27 10.720 -0.512 -8.323 1.00 44.24 H new ATOM 0 HD2 TYR A 27 8.515 1.243 -5.126 1.00 61.33 H new ATOM 0 HE1 TYR A 27 8.685 -0.572 -9.696 1.00 32.54 H new ATOM 0 HE2 TYR A 27 6.477 1.174 -6.493 1.00 3.53 H new ATOM 0 HH TYR A 27 6.363 -0.495 -9.564 1.00 23.13 H new ATOM 415 N GLU A 28 12.830 1.523 -3.435 1.00 24.05 N ATOM 416 CA GLU A 28 14.067 1.451 -2.664 1.00 55.05 C ATOM 417 C GLU A 28 14.515 0.003 -2.489 1.00 72.12 C ATOM 418 O GLU A 28 14.272 -0.612 -1.451 1.00 25.51 O ATOM 419 CB GLU A 28 13.879 2.108 -1.295 1.00 65.22 C ATOM 420 CG GLU A 28 15.159 2.190 -0.480 1.00 31.24 C ATOM 421 CD GLU A 28 15.183 3.388 0.449 1.00 33.05 C ATOM 422 OE1 GLU A 28 14.346 3.437 1.375 1.00 32.43 O ATOM 423 OE2 GLU A 28 16.037 4.277 0.251 1.00 21.50 O ATOM 0 H GLU A 28 11.983 1.362 -2.890 1.00 24.05 H new ATOM 0 HA GLU A 28 14.840 1.988 -3.213 1.00 55.05 H new ATOM 0 HB2 GLU A 28 13.482 3.113 -1.435 1.00 65.22 H new ATOM 0 HB3 GLU A 28 13.134 1.547 -0.731 1.00 65.22 H new ATOM 0 HG2 GLU A 28 15.271 1.278 0.106 1.00 31.24 H new ATOM 0 HG3 GLU A 28 16.013 2.242 -1.156 1.00 31.24 H new ATOM 430 N VAL A 29 15.170 -0.536 -3.513 1.00 11.41 N ATOM 431 CA VAL A 29 15.653 -1.911 -3.473 1.00 50.31 C ATOM 432 C VAL A 29 17.095 -1.973 -2.982 1.00 12.43 C ATOM 433 O VAL A 29 17.906 -1.098 -3.288 1.00 53.22 O ATOM 434 CB VAL A 29 15.565 -2.577 -4.859 1.00 45.31 C ATOM 435 CG1 VAL A 29 16.292 -1.739 -5.901 1.00 33.32 C ATOM 436 CG2 VAL A 29 16.131 -3.988 -4.808 1.00 44.24 C ATOM 0 H VAL A 29 15.378 -0.041 -4.380 1.00 11.41 H new ATOM 0 HA VAL A 29 15.012 -2.452 -2.777 1.00 50.31 H new ATOM 0 HB VAL A 29 14.516 -2.641 -5.147 1.00 45.31 H new ATOM 0 HG11 VAL A 29 16.219 -2.225 -6.874 1.00 33.32 H new ATOM 0 HG12 VAL A 29 15.837 -0.750 -5.954 1.00 33.32 H new ATOM 0 HG13 VAL A 29 17.341 -1.641 -5.622 1.00 33.32 H new ATOM 0 HG21 VAL A 29 16.061 -4.444 -5.796 1.00 44.24 H new ATOM 0 HG22 VAL A 29 17.176 -3.950 -4.499 1.00 44.24 H new ATOM 0 HG23 VAL A 29 15.562 -4.582 -4.093 1.00 44.24 H new ATOM 446 N THR A 30 17.410 -3.014 -2.217 1.00 15.52 N ATOM 447 CA THR A 30 18.754 -3.190 -1.682 1.00 34.22 C ATOM 448 C THR A 30 19.221 -4.633 -1.835 1.00 61.02 C ATOM 449 O THR A 30 18.446 -5.571 -1.647 1.00 51.24 O ATOM 450 CB THR A 30 18.823 -2.796 -0.195 1.00 14.55 C ATOM 451 OG1 THR A 30 18.449 -1.422 -0.034 1.00 63.43 O ATOM 452 CG2 THR A 30 20.223 -3.014 0.359 1.00 52.42 C ATOM 0 H THR A 30 16.752 -3.748 -1.954 1.00 15.52 H new ATOM 0 HA THR A 30 19.410 -2.535 -2.255 1.00 34.22 H new ATOM 0 HB THR A 30 18.128 -3.429 0.358 1.00 14.55 H new ATOM 0 HG1 THR A 30 18.494 -1.180 0.915 1.00 63.43 H new ATOM 0 HG21 THR A 30 20.247 -2.729 1.411 1.00 52.42 H new ATOM 0 HG22 THR A 30 20.493 -4.066 0.262 1.00 52.42 H new ATOM 0 HG23 THR A 30 20.934 -2.404 -0.198 1.00 52.42 H new ATOM 460 N VAL A 31 20.494 -4.805 -2.177 1.00 42.41 N ATOM 461 CA VAL A 31 21.066 -6.134 -2.354 1.00 32.22 C ATOM 462 C VAL A 31 21.791 -6.593 -1.093 1.00 54.25 C ATOM 463 O VAL A 31 22.493 -5.813 -0.451 1.00 20.13 O ATOM 464 CB VAL A 31 22.048 -6.170 -3.540 1.00 3.35 C ATOM 465 CG1 VAL A 31 21.304 -6.000 -4.855 1.00 40.41 C ATOM 466 CG2 VAL A 31 23.116 -5.098 -3.379 1.00 15.32 C ATOM 0 H VAL A 31 21.149 -4.040 -2.337 1.00 42.41 H new ATOM 0 HA VAL A 31 20.236 -6.810 -2.559 1.00 32.22 H new ATOM 0 HB VAL A 31 22.540 -7.142 -3.553 1.00 3.35 H new ATOM 0 HG11 VAL A 31 22.014 -6.028 -5.681 1.00 40.41 H new ATOM 0 HG12 VAL A 31 20.581 -6.807 -4.971 1.00 40.41 H new ATOM 0 HG13 VAL A 31 20.783 -5.043 -4.857 1.00 40.41 H new ATOM 0 HG21 VAL A 31 23.802 -5.137 -4.226 1.00 15.32 H new ATOM 0 HG22 VAL A 31 22.643 -4.117 -3.340 1.00 15.32 H new ATOM 0 HG23 VAL A 31 23.669 -5.271 -2.456 1.00 15.32 H new ATOM 476 N ALA A 32 21.615 -7.864 -0.746 1.00 5.50 N ATOM 477 CA ALA A 32 22.255 -8.427 0.436 1.00 30.33 C ATOM 478 C ALA A 32 23.497 -9.227 0.060 1.00 64.23 C ATOM 479 O ALA A 32 23.863 -9.309 -1.113 1.00 13.14 O ATOM 480 CB ALA A 32 21.273 -9.303 1.201 1.00 50.33 C ATOM 0 H ALA A 32 21.035 -8.522 -1.266 1.00 5.50 H new ATOM 0 HA ALA A 32 22.566 -7.602 1.077 1.00 30.33 H new ATOM 0 HB1 ALA A 32 21.764 -9.717 2.081 1.00 50.33 H new ATOM 0 HB2 ALA A 32 20.417 -8.704 1.511 1.00 50.33 H new ATOM 0 HB3 ALA A 32 20.934 -10.116 0.559 1.00 50.33 H new ATOM 486 N ALA A 33 24.143 -9.815 1.061 1.00 21.25 N ATOM 487 CA ALA A 33 25.344 -10.610 0.835 1.00 51.34 C ATOM 488 C ALA A 33 24.996 -12.075 0.597 1.00 31.35 C ATOM 489 O ALA A 33 25.647 -12.758 -0.193 1.00 45.23 O ATOM 490 CB ALA A 33 26.296 -10.475 2.014 1.00 62.43 C ATOM 0 H ALA A 33 23.855 -9.756 2.038 1.00 21.25 H new ATOM 0 HA ALA A 33 25.837 -10.232 -0.060 1.00 51.34 H new ATOM 0 HB1 ALA A 33 27.188 -11.074 1.832 1.00 62.43 H new ATOM 0 HB2 ALA A 33 26.579 -9.429 2.135 1.00 62.43 H new ATOM 0 HB3 ALA A 33 25.803 -10.825 2.921 1.00 62.43 H new ATOM 496 N ASP A 34 23.966 -12.553 1.287 1.00 1.14 N ATOM 497 CA ASP A 34 23.531 -13.938 1.151 1.00 22.25 C ATOM 498 C ASP A 34 22.070 -14.092 1.561 1.00 12.30 C ATOM 499 O ASP A 34 21.497 -13.209 2.198 1.00 2.14 O ATOM 500 CB ASP A 34 24.411 -14.857 2.001 1.00 40.03 C ATOM 501 CG ASP A 34 25.570 -15.437 1.215 1.00 62.33 C ATOM 502 OD1 ASP A 34 26.682 -14.873 1.292 1.00 53.31 O ATOM 503 OD2 ASP A 34 25.366 -16.457 0.523 1.00 3.40 O ATOM 0 H ASP A 34 23.417 -12.001 1.946 1.00 1.14 H new ATOM 0 HA ASP A 34 23.627 -14.222 0.103 1.00 22.25 H new ATOM 0 HB2 ASP A 34 24.797 -14.299 2.854 1.00 40.03 H new ATOM 0 HB3 ASP A 34 23.804 -15.669 2.400 1.00 40.03 H new ATOM 508 N GLY A 35 21.471 -15.219 1.189 1.00 23.30 N ATOM 509 CA GLY A 35 20.081 -15.467 1.525 1.00 25.32 C ATOM 510 C GLY A 35 19.800 -15.279 3.003 1.00 51.13 C ATOM 511 O GLY A 35 18.702 -14.874 3.385 1.00 64.34 O ATOM 0 H GLY A 35 21.924 -15.965 0.661 1.00 23.30 H new ATOM 0 HA2 GLY A 35 19.445 -14.794 0.949 1.00 25.32 H new ATOM 0 HA3 GLY A 35 19.816 -16.483 1.234 1.00 25.32 H new ATOM 515 N GLU A 36 20.793 -15.574 3.835 1.00 21.54 N ATOM 516 CA GLU A 36 20.645 -15.437 5.279 1.00 32.35 C ATOM 517 C GLU A 36 20.573 -13.967 5.682 1.00 64.11 C ATOM 518 O GLU A 36 19.652 -13.548 6.382 1.00 22.43 O ATOM 519 CB GLU A 36 21.809 -16.119 6.001 1.00 2.12 C ATOM 520 CG GLU A 36 21.834 -15.859 7.498 1.00 52.51 C ATOM 521 CD GLU A 36 20.560 -16.306 8.189 1.00 41.51 C ATOM 522 OE1 GLU A 36 19.504 -15.684 7.945 1.00 25.14 O ATOM 523 OE2 GLU A 36 20.619 -17.276 8.973 1.00 52.24 O ATOM 0 H GLU A 36 21.708 -15.909 3.534 1.00 21.54 H new ATOM 0 HA GLU A 36 19.713 -15.921 5.570 1.00 32.35 H new ATOM 0 HB2 GLU A 36 21.753 -17.194 5.828 1.00 2.12 H new ATOM 0 HB3 GLU A 36 22.747 -15.775 5.565 1.00 2.12 H new ATOM 0 HG2 GLU A 36 22.684 -16.379 7.939 1.00 52.51 H new ATOM 0 HG3 GLU A 36 21.985 -14.794 7.676 1.00 52.51 H new ATOM 530 N ALA A 37 21.553 -13.189 5.234 1.00 41.21 N ATOM 531 CA ALA A 37 21.601 -11.766 5.545 1.00 3.34 C ATOM 532 C ALA A 37 20.318 -11.065 5.112 1.00 20.12 C ATOM 533 O ALA A 37 19.832 -10.162 5.792 1.00 21.42 O ATOM 534 CB ALA A 37 22.808 -11.120 4.880 1.00 72.43 C ATOM 0 H ALA A 37 22.324 -13.520 4.655 1.00 41.21 H new ATOM 0 HA ALA A 37 21.695 -11.659 6.626 1.00 3.34 H new ATOM 0 HB1 ALA A 37 22.831 -10.057 5.121 1.00 72.43 H new ATOM 0 HB2 ALA A 37 23.720 -11.594 5.242 1.00 72.43 H new ATOM 0 HB3 ALA A 37 22.739 -11.245 3.799 1.00 72.43 H new ATOM 540 N GLY A 38 19.774 -11.487 3.975 1.00 74.12 N ATOM 541 CA GLY A 38 18.552 -10.888 3.470 1.00 32.23 C ATOM 542 C GLY A 38 17.339 -11.260 4.300 1.00 54.43 C ATOM 543 O GLY A 38 16.544 -10.396 4.671 1.00 13.05 O ATOM 0 H GLY A 38 20.157 -12.233 3.394 1.00 74.12 H new ATOM 0 HA2 GLY A 38 18.661 -9.804 3.457 1.00 32.23 H new ATOM 0 HA3 GLY A 38 18.394 -11.205 2.439 1.00 32.23 H new ATOM 547 N PHE A 39 17.194 -12.548 4.590 1.00 70.44 N ATOM 548 CA PHE A 39 16.067 -13.033 5.378 1.00 0.22 C ATOM 549 C PHE A 39 16.105 -12.459 6.791 1.00 4.45 C ATOM 550 O PHE A 39 15.066 -12.162 7.381 1.00 21.31 O ATOM 551 CB PHE A 39 16.078 -14.562 5.436 1.00 14.34 C ATOM 552 CG PHE A 39 15.173 -15.206 4.425 1.00 31.34 C ATOM 553 CD1 PHE A 39 13.820 -14.908 4.397 1.00 41.10 C ATOM 554 CD2 PHE A 39 15.675 -16.110 3.503 1.00 22.23 C ATOM 555 CE1 PHE A 39 12.985 -15.500 3.468 1.00 24.33 C ATOM 556 CE2 PHE A 39 14.845 -16.705 2.572 1.00 64.52 C ATOM 557 CZ PHE A 39 13.499 -16.399 2.554 1.00 72.22 C ATOM 0 H PHE A 39 17.843 -13.276 4.291 1.00 70.44 H new ATOM 0 HA PHE A 39 15.148 -12.702 4.894 1.00 0.22 H new ATOM 0 HB2 PHE A 39 17.097 -14.916 5.278 1.00 14.34 H new ATOM 0 HB3 PHE A 39 15.780 -14.882 6.435 1.00 14.34 H new ATOM 0 HD1 PHE A 39 13.413 -14.205 5.109 1.00 41.10 H new ATOM 0 HD2 PHE A 39 16.727 -16.353 3.512 1.00 22.23 H new ATOM 0 HE1 PHE A 39 11.932 -15.260 3.457 1.00 24.33 H new ATOM 0 HE2 PHE A 39 15.249 -17.409 1.859 1.00 64.52 H new ATOM 0 HZ PHE A 39 12.849 -16.862 1.826 1.00 72.22 H new ATOM 567 N ASP A 40 17.311 -12.305 7.329 1.00 73.25 N ATOM 568 CA ASP A 40 17.486 -11.766 8.672 1.00 20.32 C ATOM 569 C ASP A 40 17.121 -10.286 8.716 1.00 40.32 C ATOM 570 O ASP A 40 16.512 -9.813 9.677 1.00 64.40 O ATOM 571 CB ASP A 40 18.929 -11.962 9.139 1.00 22.51 C ATOM 572 CG ASP A 40 19.239 -11.188 10.405 1.00 15.21 C ATOM 573 OD1 ASP A 40 19.171 -11.787 11.499 1.00 14.41 O ATOM 574 OD2 ASP A 40 19.549 -9.983 10.302 1.00 44.13 O ATOM 0 H ASP A 40 18.181 -12.546 6.855 1.00 73.25 H new ATOM 0 HA ASP A 40 16.818 -12.306 9.343 1.00 20.32 H new ATOM 0 HB2 ASP A 40 19.111 -13.023 9.312 1.00 22.51 H new ATOM 0 HB3 ASP A 40 19.610 -11.647 8.348 1.00 22.51 H new ATOM 579 N LEU A 41 17.497 -9.558 7.670 1.00 3.02 N ATOM 580 CA LEU A 41 17.211 -8.130 7.589 1.00 53.11 C ATOM 581 C LEU A 41 15.708 -7.880 7.509 1.00 41.21 C ATOM 582 O LEU A 41 15.210 -6.870 8.005 1.00 53.11 O ATOM 583 CB LEU A 41 17.907 -7.518 6.372 1.00 74.43 C ATOM 584 CG LEU A 41 19.390 -7.188 6.542 1.00 13.32 C ATOM 585 CD1 LEU A 41 19.965 -6.631 5.249 1.00 73.41 C ATOM 586 CD2 LEU A 41 19.588 -6.202 7.684 1.00 4.40 C ATOM 0 H LEU A 41 18.001 -9.933 6.866 1.00 3.02 H new ATOM 0 HA LEU A 41 17.592 -7.656 8.494 1.00 53.11 H new ATOM 0 HB2 LEU A 41 17.803 -8.207 5.534 1.00 74.43 H new ATOM 0 HB3 LEU A 41 17.381 -6.603 6.100 1.00 74.43 H new ATOM 0 HG LEU A 41 19.922 -8.108 6.785 1.00 13.32 H new ATOM 0 HD11 LEU A 41 21.021 -6.402 5.389 1.00 73.41 H new ATOM 0 HD12 LEU A 41 19.856 -7.369 4.455 1.00 73.41 H new ATOM 0 HD13 LEU A 41 19.430 -5.722 4.975 1.00 73.41 H new ATOM 0 HD21 LEU A 41 20.649 -5.978 7.791 1.00 4.40 H new ATOM 0 HD22 LEU A 41 19.043 -5.283 7.470 1.00 4.40 H new ATOM 0 HD23 LEU A 41 19.214 -6.638 8.610 1.00 4.40 H new ATOM 598 N ALA A 42 14.992 -8.808 6.883 1.00 54.42 N ATOM 599 CA ALA A 42 13.546 -8.690 6.742 1.00 54.13 C ATOM 600 C ALA A 42 12.840 -8.980 8.062 1.00 72.42 C ATOM 601 O ALA A 42 11.714 -8.537 8.285 1.00 12.11 O ATOM 602 CB ALA A 42 13.043 -9.629 5.655 1.00 43.43 C ATOM 0 H ALA A 42 15.390 -9.650 6.466 1.00 54.42 H new ATOM 0 HA ALA A 42 13.317 -7.664 6.455 1.00 54.13 H new ATOM 0 HB1 ALA A 42 11.962 -9.530 5.561 1.00 43.43 H new ATOM 0 HB2 ALA A 42 13.515 -9.373 4.706 1.00 43.43 H new ATOM 0 HB3 ALA A 42 13.292 -10.657 5.918 1.00 43.43 H new ATOM 608 N ALA A 43 13.509 -9.728 8.933 1.00 32.41 N ATOM 609 CA ALA A 43 12.946 -10.077 10.232 1.00 53.33 C ATOM 610 C ALA A 43 13.052 -8.909 11.207 1.00 33.30 C ATOM 611 O ALA A 43 12.407 -8.902 12.256 1.00 32.12 O ATOM 612 CB ALA A 43 13.644 -11.305 10.797 1.00 14.33 C ATOM 0 H ALA A 43 14.442 -10.104 8.763 1.00 32.41 H new ATOM 0 HA ALA A 43 11.889 -10.306 10.094 1.00 53.33 H new ATOM 0 HB1 ALA A 43 13.214 -11.554 11.767 1.00 14.33 H new ATOM 0 HB2 ALA A 43 13.512 -12.145 10.115 1.00 14.33 H new ATOM 0 HB3 ALA A 43 14.708 -11.097 10.915 1.00 14.33 H new ATOM 618 N THR A 44 13.870 -7.923 10.855 1.00 2.52 N ATOM 619 CA THR A 44 14.062 -6.751 11.700 1.00 1.23 C ATOM 620 C THR A 44 13.545 -5.490 11.018 1.00 54.23 C ATOM 621 O THR A 44 13.126 -4.539 11.680 1.00 62.42 O ATOM 622 CB THR A 44 15.547 -6.554 12.059 1.00 42.00 C ATOM 623 OG1 THR A 44 15.662 -5.868 13.311 1.00 61.13 O ATOM 624 CG2 THR A 44 16.266 -5.765 10.975 1.00 72.22 C ATOM 0 H THR A 44 14.411 -7.912 9.990 1.00 2.52 H new ATOM 0 HA THR A 44 13.494 -6.925 12.614 1.00 1.23 H new ATOM 0 HB THR A 44 16.012 -7.537 12.140 1.00 42.00 H new ATOM 0 HG1 THR A 44 16.609 -5.748 13.533 1.00 61.13 H new ATOM 0 HG21 THR A 44 17.313 -5.639 11.251 1.00 72.22 H new ATOM 0 HG22 THR A 44 16.202 -6.304 10.030 1.00 72.22 H new ATOM 0 HG23 THR A 44 15.799 -4.786 10.867 1.00 72.22 H new ATOM 632 N THR A 45 13.574 -5.487 9.689 1.00 65.04 N ATOM 633 CA THR A 45 13.109 -4.342 8.916 1.00 33.40 C ATOM 634 C THR A 45 11.814 -4.666 8.180 1.00 34.10 C ATOM 635 O THR A 45 10.907 -3.837 8.105 1.00 23.13 O ATOM 636 CB THR A 45 14.167 -3.887 7.894 1.00 52.34 C ATOM 637 OG1 THR A 45 15.225 -3.189 8.561 1.00 75.31 O ATOM 638 CG2 THR A 45 13.546 -2.985 6.837 1.00 34.23 C ATOM 0 H THR A 45 13.915 -6.266 9.125 1.00 65.04 H new ATOM 0 HA THR A 45 12.929 -3.534 9.625 1.00 33.40 H new ATOM 0 HB THR A 45 14.570 -4.773 7.403 1.00 52.34 H new ATOM 0 HG1 THR A 45 15.894 -2.905 7.904 1.00 75.31 H new ATOM 0 HG21 THR A 45 14.313 -2.676 6.126 1.00 34.23 H new ATOM 0 HG22 THR A 45 12.761 -3.528 6.311 1.00 34.23 H new ATOM 0 HG23 THR A 45 13.119 -2.104 7.316 1.00 34.23 H new ATOM 646 N ALA A 46 11.733 -5.877 7.638 1.00 21.03 N ATOM 647 CA ALA A 46 10.547 -6.311 6.910 1.00 1.14 C ATOM 648 C ALA A 46 10.353 -5.492 5.639 1.00 0.40 C ATOM 649 O ALA A 46 9.817 -4.384 5.679 1.00 43.34 O ATOM 650 CB ALA A 46 9.316 -6.210 7.799 1.00 41.31 C ATOM 0 H ALA A 46 12.475 -6.575 7.689 1.00 21.03 H new ATOM 0 HA ALA A 46 10.689 -7.352 6.621 1.00 1.14 H new ATOM 0 HB1 ALA A 46 8.438 -6.537 7.243 1.00 41.31 H new ATOM 0 HB2 ALA A 46 9.447 -6.844 8.676 1.00 41.31 H new ATOM 0 HB3 ALA A 46 9.180 -5.176 8.116 1.00 41.31 H new ATOM 656 N TYR A 47 10.792 -6.043 4.513 1.00 1.30 N ATOM 657 CA TYR A 47 10.669 -5.361 3.230 1.00 63.11 C ATOM 658 C TYR A 47 9.406 -5.803 2.497 1.00 2.21 C ATOM 659 O TYR A 47 8.817 -6.835 2.819 1.00 41.22 O ATOM 660 CB TYR A 47 11.899 -5.637 2.362 1.00 35.24 C ATOM 661 CG TYR A 47 13.189 -5.126 2.961 1.00 43.41 C ATOM 662 CD1 TYR A 47 13.763 -5.750 4.061 1.00 4.34 C ATOM 663 CD2 TYR A 47 13.835 -4.018 2.425 1.00 64.21 C ATOM 664 CE1 TYR A 47 14.942 -5.285 4.612 1.00 62.13 C ATOM 665 CE2 TYR A 47 15.015 -3.547 2.968 1.00 63.52 C ATOM 666 CZ TYR A 47 15.564 -4.184 4.061 1.00 4.14 C ATOM 667 OH TYR A 47 16.740 -3.719 4.606 1.00 55.11 O ATOM 0 H TYR A 47 11.236 -6.960 4.463 1.00 1.30 H new ATOM 0 HA TYR A 47 10.600 -4.290 3.422 1.00 63.11 H new ATOM 0 HB2 TYR A 47 11.984 -6.711 2.199 1.00 35.24 H new ATOM 0 HB3 TYR A 47 11.754 -5.177 1.385 1.00 35.24 H new ATOM 0 HD1 TYR A 47 13.280 -6.614 4.493 1.00 4.34 H new ATOM 0 HD2 TYR A 47 13.407 -3.517 1.569 1.00 64.21 H new ATOM 0 HE1 TYR A 47 15.374 -5.781 5.469 1.00 62.13 H new ATOM 0 HE2 TYR A 47 15.504 -2.685 2.539 1.00 63.52 H new ATOM 0 HH TYR A 47 17.049 -2.938 4.100 1.00 55.11 H new ATOM 677 N ASP A 48 8.997 -5.014 1.510 1.00 54.20 N ATOM 678 CA ASP A 48 7.805 -5.323 0.729 1.00 54.32 C ATOM 679 C ASP A 48 8.045 -6.527 -0.177 1.00 0.43 C ATOM 680 O ASP A 48 7.140 -7.327 -0.416 1.00 62.42 O ATOM 681 CB ASP A 48 7.391 -4.113 -0.110 1.00 52.50 C ATOM 682 CG ASP A 48 6.205 -3.376 0.481 1.00 32.34 C ATOM 683 OD1 ASP A 48 5.060 -3.684 0.089 1.00 42.12 O ATOM 684 OD2 ASP A 48 6.421 -2.492 1.336 1.00 4.23 O ATOM 0 H ASP A 48 9.473 -4.156 1.232 1.00 54.20 H new ATOM 0 HA ASP A 48 7.000 -5.567 1.422 1.00 54.32 H new ATOM 0 HB2 ASP A 48 8.235 -3.428 -0.195 1.00 52.50 H new ATOM 0 HB3 ASP A 48 7.144 -4.442 -1.119 1.00 52.50 H new ATOM 689 N LEU A 49 9.269 -6.648 -0.678 1.00 42.01 N ATOM 690 CA LEU A 49 9.629 -7.754 -1.559 1.00 1.04 C ATOM 691 C LEU A 49 10.986 -8.336 -1.176 1.00 1.35 C ATOM 692 O LEU A 49 11.934 -7.599 -0.900 1.00 34.51 O ATOM 693 CB LEU A 49 9.655 -7.285 -3.014 1.00 41.04 C ATOM 694 CG LEU A 49 8.794 -8.084 -3.993 1.00 33.44 C ATOM 695 CD1 LEU A 49 8.570 -7.296 -5.274 1.00 60.50 C ATOM 696 CD2 LEU A 49 9.439 -9.428 -4.297 1.00 25.44 C ATOM 0 H LEU A 49 10.029 -5.994 -0.490 1.00 42.01 H new ATOM 0 HA LEU A 49 8.876 -8.534 -1.449 1.00 1.04 H new ATOM 0 HB2 LEU A 49 9.334 -6.244 -3.045 1.00 41.04 H new ATOM 0 HB3 LEU A 49 10.687 -7.311 -3.364 1.00 41.04 H new ATOM 0 HG LEU A 49 7.825 -8.266 -3.529 1.00 33.44 H new ATOM 0 HD11 LEU A 49 7.955 -7.881 -5.958 1.00 60.50 H new ATOM 0 HD12 LEU A 49 8.063 -6.359 -5.041 1.00 60.50 H new ATOM 0 HD13 LEU A 49 9.531 -7.082 -5.742 1.00 60.50 H new ATOM 0 HD21 LEU A 49 8.812 -9.983 -4.995 1.00 25.44 H new ATOM 0 HD22 LEU A 49 10.422 -9.268 -4.740 1.00 25.44 H new ATOM 0 HD23 LEU A 49 9.546 -9.998 -3.374 1.00 25.44 H new ATOM 708 N VAL A 50 11.073 -9.662 -1.162 1.00 62.12 N ATOM 709 CA VAL A 50 12.315 -10.343 -0.816 1.00 61.24 C ATOM 710 C VAL A 50 12.666 -11.405 -1.852 1.00 61.51 C ATOM 711 O VAL A 50 11.802 -12.161 -2.300 1.00 25.23 O ATOM 712 CB VAL A 50 12.225 -11.005 0.571 1.00 34.14 C ATOM 713 CG1 VAL A 50 13.582 -11.546 0.995 1.00 73.44 C ATOM 714 CG2 VAL A 50 11.691 -10.018 1.598 1.00 5.44 C ATOM 0 H VAL A 50 10.298 -10.286 -1.386 1.00 62.12 H new ATOM 0 HA VAL A 50 13.097 -9.584 -0.798 1.00 61.24 H new ATOM 0 HB VAL A 50 11.530 -11.843 0.510 1.00 34.14 H new ATOM 0 HG11 VAL A 50 13.498 -12.010 1.978 1.00 73.44 H new ATOM 0 HG12 VAL A 50 13.920 -12.288 0.271 1.00 73.44 H new ATOM 0 HG13 VAL A 50 14.302 -10.729 1.040 1.00 73.44 H new ATOM 0 HG21 VAL A 50 11.634 -10.502 2.573 1.00 5.44 H new ATOM 0 HG22 VAL A 50 12.359 -9.159 1.658 1.00 5.44 H new ATOM 0 HG23 VAL A 50 10.697 -9.685 1.300 1.00 5.44 H new ATOM 724 N LEU A 51 13.939 -11.458 -2.229 1.00 73.41 N ATOM 725 CA LEU A 51 14.406 -12.429 -3.213 1.00 34.43 C ATOM 726 C LEU A 51 15.595 -13.219 -2.676 1.00 31.30 C ATOM 727 O LEU A 51 16.693 -12.683 -2.522 1.00 14.31 O ATOM 728 CB LEU A 51 14.793 -11.722 -4.512 1.00 62.14 C ATOM 729 CG LEU A 51 13.885 -10.571 -4.947 1.00 5.35 C ATOM 730 CD1 LEU A 51 14.487 -9.835 -6.134 1.00 71.42 C ATOM 731 CD2 LEU A 51 12.495 -11.087 -5.285 1.00 55.31 C ATOM 0 H LEU A 51 14.666 -10.840 -1.868 1.00 73.41 H new ATOM 0 HA LEU A 51 13.592 -13.125 -3.415 1.00 34.43 H new ATOM 0 HB2 LEU A 51 15.807 -11.337 -4.404 1.00 62.14 H new ATOM 0 HB3 LEU A 51 14.816 -12.462 -5.312 1.00 62.14 H new ATOM 0 HG LEU A 51 13.798 -9.869 -4.118 1.00 5.35 H new ATOM 0 HD11 LEU A 51 13.827 -9.019 -6.429 1.00 71.42 H new ATOM 0 HD12 LEU A 51 15.461 -9.431 -5.856 1.00 71.42 H new ATOM 0 HD13 LEU A 51 14.606 -10.526 -6.969 1.00 71.42 H new ATOM 0 HD21 LEU A 51 11.863 -10.254 -5.592 1.00 55.31 H new ATOM 0 HD22 LEU A 51 12.563 -11.810 -6.098 1.00 55.31 H new ATOM 0 HD23 LEU A 51 12.062 -11.567 -4.407 1.00 55.31 H new ATOM 743 N THR A 52 15.370 -14.499 -2.394 1.00 63.13 N ATOM 744 CA THR A 52 16.423 -15.364 -1.876 1.00 51.21 C ATOM 745 C THR A 52 16.752 -16.480 -2.860 1.00 75.35 C ATOM 746 O THR A 52 15.872 -16.981 -3.562 1.00 23.54 O ATOM 747 CB THR A 52 16.024 -15.987 -0.525 1.00 52.21 C ATOM 748 OG1 THR A 52 17.095 -16.793 -0.022 1.00 73.52 O ATOM 749 CG2 THR A 52 14.769 -16.834 -0.670 1.00 33.13 C ATOM 0 H THR A 52 14.468 -14.959 -2.516 1.00 63.13 H new ATOM 0 HA THR A 52 17.304 -14.738 -1.733 1.00 51.21 H new ATOM 0 HB THR A 52 15.818 -15.179 0.177 1.00 52.21 H new ATOM 0 HG1 THR A 52 16.983 -16.920 0.943 1.00 73.52 H new ATOM 0 HG21 THR A 52 14.506 -17.264 0.297 1.00 33.13 H new ATOM 0 HG22 THR A 52 13.948 -16.211 -1.025 1.00 33.13 H new ATOM 0 HG23 THR A 52 14.952 -17.636 -1.386 1.00 33.13 H new ATOM 757 N ASP A 53 18.022 -16.866 -2.908 1.00 32.25 N ATOM 758 CA ASP A 53 18.466 -17.926 -3.805 1.00 43.24 C ATOM 759 C ASP A 53 18.616 -19.246 -3.056 1.00 75.10 C ATOM 760 O ASP A 53 19.704 -19.589 -2.596 1.00 62.31 O ATOM 761 CB ASP A 53 19.794 -17.544 -4.461 1.00 64.30 C ATOM 762 CG ASP A 53 20.354 -18.657 -5.326 1.00 0.14 C ATOM 763 OD1 ASP A 53 21.444 -19.170 -4.999 1.00 21.54 O ATOM 764 OD2 ASP A 53 19.702 -19.013 -6.330 1.00 23.43 O ATOM 0 H ASP A 53 18.763 -16.460 -2.336 1.00 32.25 H new ATOM 0 HA ASP A 53 17.709 -18.053 -4.579 1.00 43.24 H new ATOM 0 HB2 ASP A 53 19.652 -16.651 -5.070 1.00 64.30 H new ATOM 0 HB3 ASP A 53 20.518 -17.290 -3.687 1.00 64.30 H new ATOM 895 N LEU A 62 16.573 -19.320 5.740 1.00 0.51 N ATOM 896 CA LEU A 62 15.354 -19.580 4.983 1.00 73.41 C ATOM 897 C LEU A 62 14.231 -20.050 5.903 1.00 64.11 C ATOM 898 O LEU A 62 13.064 -19.729 5.686 1.00 15.23 O ATOM 899 CB LEU A 62 15.616 -20.631 3.902 1.00 12.31 C ATOM 900 CG LEU A 62 16.152 -20.104 2.571 1.00 62.14 C ATOM 901 CD1 LEU A 62 17.356 -19.203 2.799 1.00 55.42 C ATOM 902 CD2 LEU A 62 16.516 -21.258 1.648 1.00 33.50 C ATOM 0 HA LEU A 62 15.045 -18.649 4.509 1.00 73.41 H new ATOM 0 HB2 LEU A 62 16.327 -21.358 4.295 1.00 12.31 H new ATOM 0 HB3 LEU A 62 14.686 -21.166 3.710 1.00 12.31 H new ATOM 0 HG LEU A 62 15.368 -19.516 2.094 1.00 62.14 H new ATOM 0 HD11 LEU A 62 17.724 -18.837 1.840 1.00 55.42 H new ATOM 0 HD12 LEU A 62 17.065 -18.357 3.422 1.00 55.42 H new ATOM 0 HD13 LEU A 62 18.144 -19.767 3.298 1.00 55.42 H new ATOM 0 HD21 LEU A 62 16.896 -20.864 0.705 1.00 33.50 H new ATOM 0 HD22 LEU A 62 17.283 -21.873 2.119 1.00 33.50 H new ATOM 0 HD23 LEU A 62 15.631 -21.865 1.457 1.00 33.50 H new ATOM 914 N GLU A 63 14.595 -20.810 6.931 1.00 31.50 N ATOM 915 CA GLU A 63 13.618 -21.323 7.885 1.00 51.34 C ATOM 916 C GLU A 63 12.733 -20.198 8.414 1.00 0.11 C ATOM 917 O GLU A 63 11.566 -20.414 8.744 1.00 1.54 O ATOM 918 CB GLU A 63 14.325 -22.021 9.048 1.00 2.31 C ATOM 919 CG GLU A 63 13.429 -22.972 9.823 1.00 72.24 C ATOM 920 CD GLU A 63 12.877 -24.088 8.957 1.00 20.53 C ATOM 921 OE1 GLU A 63 13.491 -25.175 8.929 1.00 25.53 O ATOM 922 OE2 GLU A 63 11.832 -23.875 8.308 1.00 32.53 O ATOM 0 H GLU A 63 15.558 -21.084 7.125 1.00 31.50 H new ATOM 0 HA GLU A 63 12.987 -22.046 7.367 1.00 51.34 H new ATOM 0 HB2 GLU A 63 15.181 -22.575 8.662 1.00 2.31 H new ATOM 0 HB3 GLU A 63 14.716 -21.266 9.730 1.00 2.31 H new ATOM 0 HG2 GLU A 63 13.993 -23.404 10.650 1.00 72.24 H new ATOM 0 HG3 GLU A 63 12.602 -22.412 10.259 1.00 72.24 H new ATOM 929 N LEU A 64 13.296 -18.997 8.493 1.00 64.41 N ATOM 930 CA LEU A 64 12.560 -17.837 8.983 1.00 71.33 C ATOM 931 C LEU A 64 11.219 -17.702 8.268 1.00 20.14 C ATOM 932 O LEU A 64 10.238 -17.239 8.851 1.00 2.31 O ATOM 933 CB LEU A 64 13.386 -16.565 8.787 1.00 14.50 C ATOM 934 CG LEU A 64 14.546 -16.360 9.762 1.00 34.41 C ATOM 935 CD1 LEU A 64 15.492 -15.287 9.248 1.00 3.12 C ATOM 936 CD2 LEU A 64 14.023 -15.996 11.144 1.00 31.00 C ATOM 0 H LEU A 64 14.260 -18.801 8.224 1.00 64.41 H new ATOM 0 HA LEU A 64 12.371 -17.980 10.047 1.00 71.33 H new ATOM 0 HB2 LEU A 64 13.786 -16.569 7.773 1.00 14.50 H new ATOM 0 HB3 LEU A 64 12.718 -15.707 8.863 1.00 14.50 H new ATOM 0 HG LEU A 64 15.100 -17.296 9.840 1.00 34.41 H new ATOM 0 HD11 LEU A 64 16.311 -15.155 9.955 1.00 3.12 H new ATOM 0 HD12 LEU A 64 15.893 -15.589 8.280 1.00 3.12 H new ATOM 0 HD13 LEU A 64 14.951 -14.347 9.140 1.00 3.12 H new ATOM 0 HD21 LEU A 64 14.862 -15.854 11.825 1.00 31.00 H new ATOM 0 HD22 LEU A 64 13.445 -15.074 11.083 1.00 31.00 H new ATOM 0 HD23 LEU A 64 13.387 -16.799 11.515 1.00 31.00 H new ATOM 948 N ILE A 65 11.184 -18.111 7.005 1.00 72.52 N ATOM 949 CA ILE A 65 9.962 -18.039 6.213 1.00 64.04 C ATOM 950 C ILE A 65 8.781 -18.639 6.968 1.00 41.24 C ATOM 951 O ILE A 65 7.659 -18.142 6.880 1.00 74.22 O ATOM 952 CB ILE A 65 10.121 -18.769 4.866 1.00 73.31 C ATOM 953 CG1 ILE A 65 11.268 -18.156 4.060 1.00 31.21 C ATOM 954 CG2 ILE A 65 8.822 -18.712 4.076 1.00 14.23 C ATOM 955 CD1 ILE A 65 11.838 -19.089 3.014 1.00 14.33 C ATOM 0 H ILE A 65 11.987 -18.496 6.508 1.00 72.52 H new ATOM 0 HA ILE A 65 9.770 -16.983 6.024 1.00 64.04 H new ATOM 0 HB ILE A 65 10.359 -19.814 5.063 1.00 73.31 H new ATOM 0 HG12 ILE A 65 10.913 -17.249 3.571 1.00 31.21 H new ATOM 0 HG13 ILE A 65 12.064 -17.860 4.743 1.00 31.21 H new ATOM 0 HG21 ILE A 65 8.950 -19.232 3.127 1.00 14.23 H new ATOM 0 HG22 ILE A 65 8.027 -19.191 4.648 1.00 14.23 H new ATOM 0 HG23 ILE A 65 8.557 -17.672 3.887 1.00 14.23 H new ATOM 0 HD11 ILE A 65 12.647 -18.588 2.482 1.00 14.33 H new ATOM 0 HD12 ILE A 65 12.223 -19.986 3.498 1.00 14.33 H new ATOM 0 HD13 ILE A 65 11.055 -19.366 2.308 1.00 14.33 H new ATOM 967 N ALA A 66 9.043 -19.709 7.711 1.00 53.01 N ATOM 968 CA ALA A 66 8.002 -20.374 8.485 1.00 62.52 C ATOM 969 C ALA A 66 7.524 -19.493 9.634 1.00 62.22 C ATOM 970 O ALA A 66 6.329 -19.421 9.917 1.00 12.31 O ATOM 971 CB ALA A 66 8.510 -21.707 9.015 1.00 33.22 C ATOM 0 H ALA A 66 9.967 -20.134 7.793 1.00 53.01 H new ATOM 0 HA ALA A 66 7.154 -20.557 7.826 1.00 62.52 H new ATOM 0 HB1 ALA A 66 7.723 -22.193 9.591 1.00 33.22 H new ATOM 0 HB2 ALA A 66 8.795 -22.346 8.179 1.00 33.22 H new ATOM 0 HB3 ALA A 66 9.376 -21.538 9.655 1.00 33.22 H new ATOM 977 N ALA A 67 8.466 -18.825 10.293 1.00 73.54 N ATOM 978 CA ALA A 67 8.140 -17.948 11.410 1.00 32.10 C ATOM 979 C ALA A 67 7.412 -16.697 10.931 1.00 12.42 C ATOM 980 O ALA A 67 6.576 -16.141 11.645 1.00 2.52 O ATOM 981 CB ALA A 67 9.403 -17.569 12.169 1.00 51.53 C ATOM 0 H ALA A 67 9.461 -18.875 10.072 1.00 73.54 H new ATOM 0 HA ALA A 67 7.474 -18.489 12.083 1.00 32.10 H new ATOM 0 HB1 ALA A 67 9.145 -16.914 13.001 1.00 51.53 H new ATOM 0 HB2 ALA A 67 9.882 -18.470 12.552 1.00 51.53 H new ATOM 0 HB3 ALA A 67 10.089 -17.051 11.499 1.00 51.53 H new ATOM 987 N LEU A 68 7.734 -16.258 9.720 1.00 42.44 N ATOM 988 CA LEU A 68 7.111 -15.070 9.145 1.00 31.22 C ATOM 989 C LEU A 68 5.735 -15.399 8.576 1.00 73.24 C ATOM 990 O LEU A 68 4.821 -14.575 8.618 1.00 44.23 O ATOM 991 CB LEU A 68 8.002 -14.482 8.049 1.00 34.15 C ATOM 992 CG LEU A 68 9.472 -14.280 8.416 1.00 23.13 C ATOM 993 CD1 LEU A 68 10.365 -14.557 7.216 1.00 34.04 C ATOM 994 CD2 LEU A 68 9.702 -12.870 8.940 1.00 25.24 C ATOM 0 H LEU A 68 8.423 -16.706 9.116 1.00 42.44 H new ATOM 0 HA LEU A 68 6.989 -14.333 9.939 1.00 31.22 H new ATOM 0 HB2 LEU A 68 7.952 -15.136 7.178 1.00 34.15 H new ATOM 0 HB3 LEU A 68 7.588 -13.520 7.749 1.00 34.15 H new ATOM 0 HG LEU A 68 9.730 -14.986 9.205 1.00 23.13 H new ATOM 0 HD11 LEU A 68 11.408 -14.408 7.496 1.00 34.04 H new ATOM 0 HD12 LEU A 68 10.221 -15.586 6.885 1.00 34.04 H new ATOM 0 HD13 LEU A 68 10.106 -13.876 6.405 1.00 34.04 H new ATOM 0 HD21 LEU A 68 10.754 -12.744 9.196 1.00 25.24 H new ATOM 0 HD22 LEU A 68 9.427 -12.147 8.172 1.00 25.24 H new ATOM 0 HD23 LEU A 68 9.090 -12.707 9.827 1.00 25.24 H new ATOM 1006 N ARG A 69 5.593 -16.610 8.045 1.00 3.44 N ATOM 1007 CA ARG A 69 4.328 -17.048 7.469 1.00 62.05 C ATOM 1008 C ARG A 69 3.209 -16.987 8.503 1.00 14.04 C ATOM 1009 O ARG A 69 2.154 -16.402 8.256 1.00 22.44 O ATOM 1010 CB ARG A 69 4.457 -18.472 6.925 1.00 64.03 C ATOM 1011 CG ARG A 69 4.138 -18.590 5.443 1.00 10.44 C ATOM 1012 CD ARG A 69 2.752 -18.050 5.128 1.00 52.31 C ATOM 1013 NE ARG A 69 2.224 -18.592 3.879 1.00 62.51 N ATOM 1014 CZ ARG A 69 1.656 -19.789 3.780 1.00 64.34 C ATOM 1015 NH1 ARG A 69 1.543 -20.564 4.850 1.00 40.23 N ATOM 1016 NH2 ARG A 69 1.200 -20.213 2.608 1.00 62.31 N ATOM 0 H ARG A 69 6.339 -17.304 8.002 1.00 3.44 H new ATOM 0 HA ARG A 69 4.079 -16.374 6.649 1.00 62.05 H new ATOM 0 HB2 ARG A 69 5.473 -18.827 7.099 1.00 64.03 H new ATOM 0 HB3 ARG A 69 3.790 -19.127 7.485 1.00 64.03 H new ATOM 0 HG2 ARG A 69 4.883 -18.044 4.865 1.00 10.44 H new ATOM 0 HG3 ARG A 69 4.201 -19.635 5.138 1.00 10.44 H new ATOM 0 HD2 ARG A 69 2.073 -18.295 5.945 1.00 52.31 H new ATOM 0 HD3 ARG A 69 2.793 -16.963 5.063 1.00 52.31 H new ATOM 0 HE ARG A 69 2.295 -18.021 3.037 1.00 62.51 H new ATOM 0 HH11 ARG A 69 1.893 -20.242 5.752 1.00 40.23 H new ATOM 0 HH12 ARG A 69 1.106 -21.482 4.771 1.00 40.23 H new ATOM 0 HH21 ARG A 69 1.286 -19.620 1.783 1.00 62.31 H new ATOM 0 HH22 ARG A 69 0.764 -21.132 2.533 1.00 62.31 H new ATOM 1030 N GLN A 70 3.446 -17.595 9.661 1.00 1.12 N ATOM 1031 CA GLN A 70 2.457 -17.610 10.732 1.00 20.34 C ATOM 1032 C GLN A 70 2.038 -16.192 11.107 1.00 72.53 C ATOM 1033 O GLN A 70 0.881 -15.946 11.450 1.00 32.01 O ATOM 1034 CB GLN A 70 3.016 -18.331 11.961 1.00 53.32 C ATOM 1035 CG GLN A 70 4.321 -17.742 12.470 1.00 3.30 C ATOM 1036 CD GLN A 70 4.787 -18.385 13.762 1.00 41.45 C ATOM 1037 OE1 GLN A 70 4.386 -17.976 14.852 1.00 45.33 O ATOM 1038 NE2 GLN A 70 5.638 -19.397 13.646 1.00 61.33 N ATOM 0 H GLN A 70 4.314 -18.083 9.881 1.00 1.12 H new ATOM 0 HA GLN A 70 1.578 -18.146 10.373 1.00 20.34 H new ATOM 0 HB2 GLN A 70 2.275 -18.297 12.760 1.00 53.32 H new ATOM 0 HB3 GLN A 70 3.172 -19.382 11.716 1.00 53.32 H new ATOM 0 HG2 GLN A 70 5.092 -17.865 11.709 1.00 3.30 H new ATOM 0 HG3 GLN A 70 4.195 -16.671 12.627 1.00 3.30 H new ATOM 0 HE21 GLN A 70 5.944 -19.703 12.722 1.00 61.33 H new ATOM 0 HE22 GLN A 70 5.986 -19.869 14.481 1.00 61.33 H new ATOM 1047 N LEU A 71 2.985 -15.264 11.039 1.00 40.42 N ATOM 1048 CA LEU A 71 2.714 -13.869 11.371 1.00 63.11 C ATOM 1049 C LEU A 71 1.852 -13.211 10.298 1.00 20.33 C ATOM 1050 O LEU A 71 1.913 -13.581 9.126 1.00 73.22 O ATOM 1051 CB LEU A 71 4.026 -13.098 11.530 1.00 30.44 C ATOM 1052 CG LEU A 71 4.513 -12.891 12.965 1.00 34.32 C ATOM 1053 CD1 LEU A 71 3.592 -11.936 13.708 1.00 32.04 C ATOM 1054 CD2 LEU A 71 4.604 -14.223 13.695 1.00 35.50 C ATOM 0 H LEU A 71 3.947 -15.451 10.757 1.00 40.42 H new ATOM 0 HA LEU A 71 2.169 -13.845 12.314 1.00 63.11 H new ATOM 0 HB2 LEU A 71 4.803 -13.625 10.976 1.00 30.44 H new ATOM 0 HB3 LEU A 71 3.909 -12.120 11.063 1.00 30.44 H new ATOM 0 HG LEU A 71 5.509 -12.450 12.930 1.00 34.32 H new ATOM 0 HD11 LEU A 71 3.954 -11.801 14.727 1.00 32.04 H new ATOM 0 HD12 LEU A 71 3.577 -10.973 13.197 1.00 32.04 H new ATOM 0 HD13 LEU A 71 2.583 -12.349 13.733 1.00 32.04 H new ATOM 0 HD21 LEU A 71 4.952 -14.056 14.714 1.00 35.50 H new ATOM 0 HD22 LEU A 71 3.621 -14.692 13.720 1.00 35.50 H new ATOM 0 HD23 LEU A 71 5.305 -14.876 13.175 1.00 35.50 H new ATOM 1066 N SER A 72 1.051 -12.233 10.708 1.00 41.20 N ATOM 1067 CA SER A 72 0.175 -11.524 9.782 1.00 21.04 C ATOM 1068 C SER A 72 0.834 -10.240 9.286 1.00 35.24 C ATOM 1069 O SER A 72 0.164 -9.232 9.064 1.00 72.10 O ATOM 1070 CB SER A 72 -1.159 -11.199 10.457 1.00 3.44 C ATOM 1071 OG SER A 72 -2.149 -10.871 9.498 1.00 0.54 O ATOM 0 H SER A 72 0.990 -11.913 11.675 1.00 41.20 H new ATOM 0 HA SER A 72 -0.008 -12.172 8.925 1.00 21.04 H new ATOM 0 HB2 SER A 72 -1.489 -12.054 11.047 1.00 3.44 H new ATOM 0 HB3 SER A 72 -1.027 -10.366 11.148 1.00 3.44 H new ATOM 0 HG SER A 72 -1.808 -10.172 8.902 1.00 0.54 H new ATOM 1077 N ALA A 73 2.151 -10.286 9.116 1.00 73.25 N ATOM 1078 CA ALA A 73 2.901 -9.129 8.644 1.00 13.41 C ATOM 1079 C ALA A 73 3.666 -9.454 7.366 1.00 5.22 C ATOM 1080 O ALA A 73 3.865 -8.589 6.513 1.00 42.22 O ATOM 1081 CB ALA A 73 3.855 -8.643 9.725 1.00 43.54 C ATOM 0 H ALA A 73 2.721 -11.112 9.298 1.00 73.25 H new ATOM 0 HA ALA A 73 2.191 -8.334 8.417 1.00 13.41 H new ATOM 0 HB1 ALA A 73 4.409 -7.778 9.359 1.00 43.54 H new ATOM 0 HB2 ALA A 73 3.287 -8.362 10.612 1.00 43.54 H new ATOM 0 HB3 ALA A 73 4.553 -9.440 9.979 1.00 43.54 H new ATOM 1087 N TYR A 74 4.095 -10.705 7.241 1.00 34.00 N ATOM 1088 CA TYR A 74 4.842 -11.143 6.068 1.00 33.41 C ATOM 1089 C TYR A 74 4.025 -12.129 5.239 1.00 75.32 C ATOM 1090 O TYR A 74 4.239 -12.272 4.035 1.00 33.35 O ATOM 1091 CB TYR A 74 6.163 -11.788 6.491 1.00 41.23 C ATOM 1092 CG TYR A 74 6.914 -10.998 7.539 1.00 40.13 C ATOM 1093 CD1 TYR A 74 6.570 -11.085 8.882 1.00 54.21 C ATOM 1094 CD2 TYR A 74 7.969 -10.165 7.186 1.00 71.34 C ATOM 1095 CE1 TYR A 74 7.253 -10.364 9.842 1.00 35.35 C ATOM 1096 CE2 TYR A 74 8.659 -9.442 8.140 1.00 75.24 C ATOM 1097 CZ TYR A 74 8.296 -9.545 9.467 1.00 42.35 C ATOM 1098 OH TYR A 74 8.980 -8.826 10.421 1.00 70.54 O ATOM 0 H TYR A 74 3.938 -11.434 7.938 1.00 34.00 H new ATOM 0 HA TYR A 74 5.052 -10.267 5.454 1.00 33.41 H new ATOM 0 HB2 TYR A 74 5.963 -12.788 6.876 1.00 41.23 H new ATOM 0 HB3 TYR A 74 6.798 -11.906 5.613 1.00 41.23 H new ATOM 0 HD1 TYR A 74 5.755 -11.727 9.181 1.00 54.21 H new ATOM 0 HD2 TYR A 74 8.254 -10.081 6.148 1.00 71.34 H new ATOM 0 HE1 TYR A 74 6.971 -10.442 10.882 1.00 35.35 H new ATOM 0 HE2 TYR A 74 9.477 -8.800 7.849 1.00 75.24 H new ATOM 0 HH TYR A 74 9.820 -8.494 10.041 1.00 70.54 H new ATOM 1108 N ALA A 75 3.086 -12.807 5.892 1.00 2.33 N ATOM 1109 CA ALA A 75 2.234 -13.777 5.216 1.00 22.35 C ATOM 1110 C ALA A 75 1.665 -13.202 3.924 1.00 13.02 C ATOM 1111 O ALA A 75 1.497 -13.917 2.936 1.00 45.11 O ATOM 1112 CB ALA A 75 1.109 -14.224 6.138 1.00 23.33 C ATOM 0 H ALA A 75 2.897 -12.702 6.889 1.00 2.33 H new ATOM 0 HA ALA A 75 2.844 -14.643 4.959 1.00 22.35 H new ATOM 0 HB1 ALA A 75 0.480 -14.948 5.620 1.00 23.33 H new ATOM 0 HB2 ALA A 75 1.532 -14.683 7.032 1.00 23.33 H new ATOM 0 HB3 ALA A 75 0.508 -13.361 6.424 1.00 23.33 H new ATOM 1118 N ASP A 76 1.368 -11.907 3.939 1.00 62.22 N ATOM 1119 CA ASP A 76 0.817 -11.236 2.767 1.00 4.44 C ATOM 1120 C ASP A 76 1.927 -10.822 1.806 1.00 63.41 C ATOM 1121 O ASP A 76 1.751 -10.850 0.587 1.00 12.44 O ATOM 1122 CB ASP A 76 0.009 -10.008 3.190 1.00 75.21 C ATOM 1123 CG ASP A 76 -1.356 -10.375 3.740 1.00 23.21 C ATOM 1124 OD1 ASP A 76 -2.192 -9.463 3.910 1.00 73.41 O ATOM 1125 OD2 ASP A 76 -1.587 -11.574 4.000 1.00 72.31 O ATOM 0 H ASP A 76 1.499 -11.301 4.749 1.00 62.22 H new ATOM 0 HA ASP A 76 0.159 -11.937 2.254 1.00 4.44 H new ATOM 0 HB2 ASP A 76 0.565 -9.453 3.946 1.00 75.21 H new ATOM 0 HB3 ASP A 76 -0.114 -9.345 2.334 1.00 75.21 H new ATOM 1130 N THR A 77 3.072 -10.438 2.362 1.00 64.43 N ATOM 1131 CA THR A 77 4.210 -10.017 1.554 1.00 24.25 C ATOM 1132 C THR A 77 4.578 -11.080 0.526 1.00 61.15 C ATOM 1133 O THR A 77 4.808 -12.244 0.855 1.00 44.12 O ATOM 1134 CB THR A 77 5.442 -9.720 2.431 1.00 14.20 C ATOM 1135 OG1 THR A 77 5.157 -8.638 3.325 1.00 52.01 O ATOM 1136 CG2 THR A 77 6.646 -9.370 1.571 1.00 45.11 C ATOM 0 H THR A 77 3.236 -10.410 3.368 1.00 64.43 H new ATOM 0 HA THR A 77 3.911 -9.105 1.038 1.00 24.25 H new ATOM 0 HB THR A 77 5.675 -10.615 3.007 1.00 14.20 H new ATOM 0 HG1 THR A 77 5.944 -8.456 3.880 1.00 52.01 H new ATOM 0 HG21 THR A 77 7.503 -9.164 2.212 1.00 45.11 H new ATOM 0 HG22 THR A 77 6.878 -10.207 0.912 1.00 45.11 H new ATOM 0 HG23 THR A 77 6.421 -8.488 0.972 1.00 45.11 H new ATOM 1144 N PRO A 78 4.636 -10.674 -0.751 1.00 51.24 N ATOM 1145 CA PRO A 78 4.977 -11.577 -1.855 1.00 12.32 C ATOM 1146 C PRO A 78 6.440 -12.005 -1.822 1.00 51.04 C ATOM 1147 O PRO A 78 7.342 -11.176 -1.948 1.00 32.10 O ATOM 1148 CB PRO A 78 4.693 -10.736 -3.102 1.00 4.51 C ATOM 1149 CG PRO A 78 4.835 -9.324 -2.647 1.00 65.01 C ATOM 1150 CD PRO A 78 4.373 -9.301 -1.216 1.00 64.44 C ATOM 0 HA PRO A 78 4.408 -12.506 -1.813 1.00 12.32 H new ATOM 0 HB2 PRO A 78 5.395 -10.966 -3.903 1.00 4.51 H new ATOM 0 HB3 PRO A 78 3.693 -10.928 -3.490 1.00 4.51 H new ATOM 0 HG2 PRO A 78 5.869 -8.990 -2.728 1.00 65.01 H new ATOM 0 HG3 PRO A 78 4.234 -8.654 -3.262 1.00 65.01 H new ATOM 0 HD2 PRO A 78 4.922 -8.565 -0.628 1.00 64.44 H new ATOM 0 HD3 PRO A 78 3.316 -9.046 -1.139 1.00 64.44 H new ATOM 1158 N ILE A 79 6.668 -13.303 -1.654 1.00 31.12 N ATOM 1159 CA ILE A 79 8.022 -13.841 -1.607 1.00 0.53 C ATOM 1160 C ILE A 79 8.391 -14.517 -2.922 1.00 71.24 C ATOM 1161 O ILE A 79 7.552 -15.151 -3.564 1.00 31.10 O ATOM 1162 CB ILE A 79 8.186 -14.853 -0.458 1.00 22.11 C ATOM 1163 CG1 ILE A 79 7.893 -14.184 0.887 1.00 72.15 C ATOM 1164 CG2 ILE A 79 9.589 -15.442 -0.468 1.00 32.34 C ATOM 1165 CD1 ILE A 79 8.853 -13.066 1.227 1.00 13.32 C ATOM 0 H ILE A 79 5.933 -14.002 -1.548 1.00 31.12 H new ATOM 0 HA ILE A 79 8.691 -12.998 -1.435 1.00 0.53 H new ATOM 0 HB ILE A 79 7.471 -15.663 -0.602 1.00 22.11 H new ATOM 0 HG12 ILE A 79 6.877 -13.788 0.873 1.00 72.15 H new ATOM 0 HG13 ILE A 79 7.931 -14.937 1.674 1.00 72.15 H new ATOM 0 HG21 ILE A 79 9.690 -16.156 0.350 1.00 32.34 H new ATOM 0 HG22 ILE A 79 9.764 -15.950 -1.416 1.00 32.34 H new ATOM 0 HG23 ILE A 79 10.320 -14.643 -0.345 1.00 32.34 H new ATOM 0 HD11 ILE A 79 8.585 -12.638 2.193 1.00 13.32 H new ATOM 0 HD12 ILE A 79 9.868 -13.460 1.273 1.00 13.32 H new ATOM 0 HD13 ILE A 79 8.798 -12.293 0.460 1.00 13.32 H new ATOM 1177 N LEU A 80 9.651 -14.380 -3.319 1.00 25.24 N ATOM 1178 CA LEU A 80 10.134 -14.980 -4.558 1.00 35.21 C ATOM 1179 C LEU A 80 11.479 -15.667 -4.343 1.00 54.34 C ATOM 1180 O LEU A 80 12.469 -15.021 -3.999 1.00 71.41 O ATOM 1181 CB LEU A 80 10.260 -13.915 -5.648 1.00 50.40 C ATOM 1182 CG LEU A 80 9.019 -13.055 -5.894 1.00 24.04 C ATOM 1183 CD1 LEU A 80 9.265 -12.077 -7.032 1.00 13.54 C ATOM 1184 CD2 LEU A 80 7.813 -13.933 -6.193 1.00 41.02 C ATOM 0 H LEU A 80 10.358 -13.858 -2.800 1.00 25.24 H new ATOM 0 HA LEU A 80 9.411 -15.731 -4.875 1.00 35.21 H new ATOM 0 HB2 LEU A 80 11.089 -13.256 -5.390 1.00 50.40 H new ATOM 0 HB3 LEU A 80 10.526 -14.410 -6.582 1.00 50.40 H new ATOM 0 HG LEU A 80 8.811 -12.483 -4.990 1.00 24.04 H new ATOM 0 HD11 LEU A 80 8.372 -11.474 -7.193 1.00 13.54 H new ATOM 0 HD12 LEU A 80 10.102 -11.426 -6.778 1.00 13.54 H new ATOM 0 HD13 LEU A 80 9.499 -12.629 -7.942 1.00 13.54 H new ATOM 0 HD21 LEU A 80 6.939 -13.305 -6.365 1.00 41.02 H new ATOM 0 HD22 LEU A 80 8.010 -14.532 -7.082 1.00 41.02 H new ATOM 0 HD23 LEU A 80 7.624 -14.593 -5.346 1.00 41.02 H new ATOM 1196 N VAL A 81 11.507 -16.979 -4.551 1.00 62.33 N ATOM 1197 CA VAL A 81 12.731 -17.753 -4.384 1.00 64.30 C ATOM 1198 C VAL A 81 13.337 -18.123 -5.734 1.00 12.44 C ATOM 1199 O VAL A 81 12.631 -18.555 -6.646 1.00 31.13 O ATOM 1200 CB VAL A 81 12.476 -19.041 -3.579 1.00 34.22 C ATOM 1201 CG1 VAL A 81 11.522 -19.959 -4.328 1.00 70.13 C ATOM 1202 CG2 VAL A 81 13.787 -19.751 -3.279 1.00 62.23 C ATOM 0 H VAL A 81 10.696 -17.528 -4.835 1.00 62.33 H new ATOM 0 HA VAL A 81 13.431 -17.122 -3.835 1.00 64.30 H new ATOM 0 HB VAL A 81 12.012 -18.770 -2.631 1.00 34.22 H new ATOM 0 HG11 VAL A 81 11.354 -20.864 -3.744 1.00 70.13 H new ATOM 0 HG12 VAL A 81 10.573 -19.447 -4.485 1.00 70.13 H new ATOM 0 HG13 VAL A 81 11.955 -20.225 -5.292 1.00 70.13 H new ATOM 0 HG21 VAL A 81 13.587 -20.659 -2.710 1.00 62.23 H new ATOM 0 HG22 VAL A 81 14.282 -20.011 -4.214 1.00 62.23 H new ATOM 0 HG23 VAL A 81 14.433 -19.093 -2.698 1.00 62.23 H new ATOM 1212 N LEU A 82 14.648 -17.950 -5.854 1.00 44.14 N ATOM 1213 CA LEU A 82 15.351 -18.266 -7.093 1.00 53.35 C ATOM 1214 C LEU A 82 15.699 -19.749 -7.159 1.00 24.21 C ATOM 1215 O LEU A 82 15.878 -20.403 -6.130 1.00 42.44 O ATOM 1216 CB LEU A 82 16.624 -17.425 -7.210 1.00 35.33 C ATOM 1217 CG LEU A 82 16.474 -15.934 -6.904 1.00 73.54 C ATOM 1218 CD1 LEU A 82 17.769 -15.372 -6.340 1.00 22.53 C ATOM 1219 CD2 LEU A 82 16.060 -15.173 -8.155 1.00 42.22 C ATOM 0 H LEU A 82 15.246 -17.593 -5.109 1.00 44.14 H new ATOM 0 HA LEU A 82 14.690 -18.030 -7.927 1.00 53.35 H new ATOM 0 HB2 LEU A 82 17.373 -17.840 -6.536 1.00 35.33 H new ATOM 0 HB3 LEU A 82 17.013 -17.530 -8.223 1.00 35.33 H new ATOM 0 HG LEU A 82 15.693 -15.813 -6.154 1.00 73.54 H new ATOM 0 HD11 LEU A 82 17.643 -14.310 -6.128 1.00 22.53 H new ATOM 0 HD12 LEU A 82 18.023 -15.898 -5.420 1.00 22.53 H new ATOM 0 HD13 LEU A 82 18.570 -15.505 -7.067 1.00 22.53 H new ATOM 0 HD21 LEU A 82 15.958 -14.114 -7.919 1.00 42.22 H new ATOM 0 HD22 LEU A 82 16.819 -15.301 -8.927 1.00 42.22 H new ATOM 0 HD23 LEU A 82 15.106 -15.558 -8.516 1.00 42.22 H new ATOM 1231 N THR A 83 15.797 -20.276 -8.376 1.00 1.14 N ATOM 1232 CA THR A 83 16.126 -21.682 -8.576 1.00 14.42 C ATOM 1233 C THR A 83 17.035 -21.867 -9.785 1.00 40.11 C ATOM 1234 O THR A 83 17.186 -20.962 -10.606 1.00 43.24 O ATOM 1235 CB THR A 83 14.857 -22.533 -8.767 1.00 35.51 C ATOM 1236 OG1 THR A 83 15.180 -23.925 -8.665 1.00 44.42 O ATOM 1237 CG2 THR A 83 14.216 -22.254 -10.118 1.00 34.20 C ATOM 0 H THR A 83 15.653 -19.750 -9.238 1.00 1.14 H new ATOM 0 HA THR A 83 16.647 -22.016 -7.679 1.00 14.42 H new ATOM 0 HB THR A 83 14.147 -22.267 -7.984 1.00 35.51 H new ATOM 0 HG1 THR A 83 14.890 -24.389 -9.478 1.00 44.42 H new ATOM 0 HG21 THR A 83 13.322 -22.867 -10.230 1.00 34.20 H new ATOM 0 HG22 THR A 83 13.944 -21.200 -10.181 1.00 34.20 H new ATOM 0 HG23 THR A 83 14.922 -22.495 -10.913 1.00 34.20 H new ATOM 1245 N THR A 84 17.640 -23.046 -9.890 1.00 75.41 N ATOM 1246 CA THR A 84 18.535 -23.350 -10.999 1.00 72.33 C ATOM 1247 C THR A 84 17.834 -24.196 -12.056 1.00 35.10 C ATOM 1248 O THR A 84 18.086 -24.046 -13.251 1.00 32.41 O ATOM 1249 CB THR A 84 19.795 -24.093 -10.517 1.00 30.12 C ATOM 1250 OG1 THR A 84 20.647 -24.387 -11.630 1.00 13.03 O ATOM 1251 CG2 THR A 84 19.422 -25.383 -9.802 1.00 63.32 C ATOM 0 H THR A 84 17.526 -23.806 -9.220 1.00 75.41 H new ATOM 0 HA THR A 84 18.829 -22.396 -11.437 1.00 72.33 H new ATOM 0 HB THR A 84 20.324 -23.448 -9.816 1.00 30.12 H new ATOM 0 HG1 THR A 84 21.446 -24.858 -11.315 1.00 13.03 H new ATOM 0 HG21 THR A 84 20.328 -25.890 -9.471 1.00 63.32 H new ATOM 0 HG22 THR A 84 18.798 -25.153 -8.938 1.00 63.32 H new ATOM 0 HG23 THR A 84 18.872 -26.031 -10.484 1.00 63.32 H new ATOM 1259 N GLU A 85 16.952 -25.084 -11.607 1.00 72.22 N ATOM 1260 CA GLU A 85 16.214 -25.954 -12.516 1.00 44.22 C ATOM 1261 C GLU A 85 14.725 -25.950 -12.184 1.00 60.30 C ATOM 1262 O GLU A 85 14.336 -25.792 -11.028 1.00 1.33 O ATOM 1263 CB GLU A 85 16.760 -27.382 -12.447 1.00 2.44 C ATOM 1264 CG GLU A 85 17.876 -27.656 -13.441 1.00 53.12 C ATOM 1265 CD GLU A 85 18.616 -28.946 -13.146 1.00 3.20 C ATOM 1266 OE1 GLU A 85 19.799 -28.873 -12.750 1.00 15.12 O ATOM 1267 OE2 GLU A 85 18.015 -30.027 -13.311 1.00 74.32 O ATOM 0 H GLU A 85 16.731 -25.220 -10.620 1.00 72.22 H new ATOM 0 HA GLU A 85 16.344 -25.572 -13.529 1.00 44.22 H new ATOM 0 HB2 GLU A 85 17.128 -27.573 -11.439 1.00 2.44 H new ATOM 0 HB3 GLU A 85 15.945 -28.083 -12.627 1.00 2.44 H new ATOM 0 HG2 GLU A 85 17.458 -27.703 -14.447 1.00 53.12 H new ATOM 0 HG3 GLU A 85 18.582 -26.825 -13.427 1.00 53.12 H new ATOM 1274 N GLY A 86 13.896 -26.126 -13.208 1.00 54.25 N ATOM 1275 CA GLY A 86 12.459 -26.139 -13.006 1.00 13.12 C ATOM 1276 C GLY A 86 11.944 -27.504 -12.593 1.00 52.50 C ATOM 1277 O GLY A 86 11.054 -28.059 -13.237 1.00 31.43 O ATOM 0 H GLY A 86 14.194 -26.260 -14.174 1.00 54.25 H new ATOM 0 HA2 GLY A 86 12.196 -25.408 -12.241 1.00 13.12 H new ATOM 0 HA3 GLY A 86 11.963 -25.830 -13.926 1.00 13.12 H new ATOM 1281 N SER A 87 12.505 -28.046 -11.517 1.00 45.32 N ATOM 1282 CA SER A 87 12.101 -29.357 -11.023 1.00 5.44 C ATOM 1283 C SER A 87 10.885 -29.241 -10.109 1.00 72.32 C ATOM 1284 O SER A 87 10.895 -28.488 -9.136 1.00 12.32 O ATOM 1285 CB SER A 87 13.257 -30.020 -10.270 1.00 50.44 C ATOM 1286 OG SER A 87 12.817 -31.173 -9.574 1.00 63.14 O ATOM 0 H SER A 87 13.240 -27.598 -10.971 1.00 45.32 H new ATOM 0 HA SER A 87 11.833 -29.975 -11.880 1.00 5.44 H new ATOM 0 HB2 SER A 87 14.044 -30.294 -10.973 1.00 50.44 H new ATOM 0 HB3 SER A 87 13.691 -29.310 -9.566 1.00 50.44 H new ATOM 0 HG SER A 87 13.574 -31.579 -9.102 1.00 63.14 H new ATOM 1292 N ASP A 88 9.838 -29.994 -10.431 1.00 4.31 N ATOM 1293 CA ASP A 88 8.613 -29.978 -9.640 1.00 3.12 C ATOM 1294 C ASP A 88 8.915 -30.232 -8.166 1.00 53.02 C ATOM 1295 O ASP A 88 8.284 -29.650 -7.284 1.00 74.52 O ATOM 1296 CB ASP A 88 7.631 -31.028 -10.161 1.00 20.23 C ATOM 1297 CG ASP A 88 6.939 -30.591 -11.437 1.00 65.42 C ATOM 1298 OD1 ASP A 88 5.749 -30.220 -11.370 1.00 50.42 O ATOM 1299 OD2 ASP A 88 7.589 -30.621 -12.503 1.00 40.52 O ATOM 0 H ASP A 88 9.813 -30.623 -11.234 1.00 4.31 H new ATOM 0 HA ASP A 88 8.161 -28.991 -9.735 1.00 3.12 H new ATOM 0 HB2 ASP A 88 8.164 -31.962 -10.342 1.00 20.23 H new ATOM 0 HB3 ASP A 88 6.882 -31.232 -9.396 1.00 20.23 H new ATOM 1304 N ALA A 89 9.883 -31.105 -7.907 1.00 73.14 N ATOM 1305 CA ALA A 89 10.268 -31.435 -6.541 1.00 62.51 C ATOM 1306 C ALA A 89 10.681 -30.186 -5.770 1.00 22.41 C ATOM 1307 O ALA A 89 10.387 -30.052 -4.582 1.00 72.40 O ATOM 1308 CB ALA A 89 11.398 -32.454 -6.543 1.00 62.43 C ATOM 0 H ALA A 89 10.415 -31.596 -8.626 1.00 73.14 H new ATOM 0 HA ALA A 89 9.402 -31.869 -6.041 1.00 62.51 H new ATOM 0 HB1 ALA A 89 11.676 -32.691 -5.516 1.00 62.43 H new ATOM 0 HB2 ALA A 89 11.069 -33.362 -7.049 1.00 62.43 H new ATOM 0 HB3 ALA A 89 12.260 -32.040 -7.065 1.00 62.43 H new ATOM 1314 N PHE A 90 11.365 -29.274 -6.453 1.00 24.53 N ATOM 1315 CA PHE A 90 11.821 -28.036 -5.831 1.00 34.42 C ATOM 1316 C PHE A 90 10.636 -27.167 -5.419 1.00 20.33 C ATOM 1317 O PHE A 90 10.642 -26.555 -4.350 1.00 73.53 O ATOM 1318 CB PHE A 90 12.726 -27.262 -6.790 1.00 44.14 C ATOM 1319 CG PHE A 90 13.711 -26.367 -6.094 1.00 65.10 C ATOM 1320 CD1 PHE A 90 13.282 -25.241 -5.411 1.00 11.04 C ATOM 1321 CD2 PHE A 90 15.067 -26.652 -6.123 1.00 42.23 C ATOM 1322 CE1 PHE A 90 14.186 -24.416 -4.768 1.00 53.44 C ATOM 1323 CE2 PHE A 90 15.976 -25.830 -5.483 1.00 35.53 C ATOM 1324 CZ PHE A 90 15.534 -24.710 -4.805 1.00 65.45 C ATOM 0 H PHE A 90 11.616 -29.369 -7.437 1.00 24.53 H new ATOM 0 HA PHE A 90 12.388 -28.295 -4.937 1.00 34.42 H new ATOM 0 HB2 PHE A 90 13.270 -27.970 -7.415 1.00 44.14 H new ATOM 0 HB3 PHE A 90 12.107 -26.660 -7.455 1.00 44.14 H new ATOM 0 HD1 PHE A 90 12.229 -25.005 -5.380 1.00 11.04 H new ATOM 0 HD2 PHE A 90 15.418 -27.526 -6.652 1.00 42.23 H new ATOM 0 HE1 PHE A 90 13.838 -23.542 -4.237 1.00 53.44 H new ATOM 0 HE2 PHE A 90 17.030 -26.063 -5.513 1.00 35.53 H new ATOM 0 HZ PHE A 90 16.242 -24.066 -4.305 1.00 65.45 H new ATOM 1334 N LYS A 91 9.621 -27.117 -6.274 1.00 73.33 N ATOM 1335 CA LYS A 91 8.428 -26.325 -6.001 1.00 52.43 C ATOM 1336 C LYS A 91 7.857 -26.657 -4.626 1.00 53.25 C ATOM 1337 O LYS A 91 7.360 -25.779 -3.922 1.00 14.21 O ATOM 1338 CB LYS A 91 7.369 -26.571 -7.078 1.00 71.33 C ATOM 1339 CG LYS A 91 7.810 -26.156 -8.471 1.00 52.02 C ATOM 1340 CD LYS A 91 6.720 -26.409 -9.500 1.00 23.24 C ATOM 1341 CE LYS A 91 7.257 -26.298 -10.919 1.00 15.34 C ATOM 1342 NZ LYS A 91 6.189 -26.514 -11.934 1.00 14.13 N ATOM 0 H LYS A 91 9.601 -27.616 -7.163 1.00 73.33 H new ATOM 0 HA LYS A 91 8.711 -25.272 -6.013 1.00 52.43 H new ATOM 0 HB2 LYS A 91 7.112 -27.630 -7.088 1.00 71.33 H new ATOM 0 HB3 LYS A 91 6.462 -26.026 -6.816 1.00 71.33 H new ATOM 0 HG2 LYS A 91 8.072 -25.098 -8.470 1.00 52.02 H new ATOM 0 HG3 LYS A 91 8.709 -26.707 -8.748 1.00 52.02 H new ATOM 0 HD2 LYS A 91 6.297 -27.402 -9.347 1.00 23.24 H new ATOM 0 HD3 LYS A 91 5.911 -25.692 -9.359 1.00 23.24 H new ATOM 0 HE2 LYS A 91 7.701 -25.313 -11.063 1.00 15.34 H new ATOM 0 HE3 LYS A 91 8.051 -27.030 -11.065 1.00 15.34 H new ATOM 0 HZ1 LYS A 91 6.595 -26.430 -12.888 1.00 14.13 H new ATOM 0 HZ2 LYS A 91 5.782 -27.463 -11.813 1.00 14.13 H new ATOM 0 HZ3 LYS A 91 5.443 -25.799 -11.811 1.00 14.13 H new ATOM 1356 N ALA A 92 7.933 -27.929 -4.251 1.00 33.32 N ATOM 1357 CA ALA A 92 7.427 -28.376 -2.959 1.00 14.00 C ATOM 1358 C ALA A 92 8.197 -27.728 -1.814 1.00 21.04 C ATOM 1359 O ALA A 92 7.628 -27.416 -0.768 1.00 73.31 O ATOM 1360 CB ALA A 92 7.503 -29.892 -2.858 1.00 30.22 C ATOM 0 H ALA A 92 8.340 -28.669 -4.823 1.00 33.32 H new ATOM 0 HA ALA A 92 6.384 -28.070 -2.879 1.00 14.00 H new ATOM 0 HB1 ALA A 92 7.122 -30.212 -1.888 1.00 30.22 H new ATOM 0 HB2 ALA A 92 6.902 -30.340 -3.649 1.00 30.22 H new ATOM 0 HB3 ALA A 92 8.540 -30.212 -2.964 1.00 30.22 H new ATOM 1366 N ALA A 93 9.495 -27.529 -2.018 1.00 1.21 N ATOM 1367 CA ALA A 93 10.343 -26.917 -1.002 1.00 40.35 C ATOM 1368 C ALA A 93 9.947 -25.464 -0.760 1.00 23.25 C ATOM 1369 O ALA A 93 9.690 -25.063 0.375 1.00 54.22 O ATOM 1370 CB ALA A 93 11.806 -27.006 -1.413 1.00 15.24 C ATOM 0 H ALA A 93 9.982 -27.783 -2.877 1.00 1.21 H new ATOM 0 HA ALA A 93 10.205 -27.464 -0.070 1.00 40.35 H new ATOM 0 HB1 ALA A 93 12.428 -26.545 -0.646 1.00 15.24 H new ATOM 0 HB2 ALA A 93 12.088 -28.052 -1.529 1.00 15.24 H new ATOM 0 HB3 ALA A 93 11.951 -26.484 -2.359 1.00 15.24 H new ATOM 1376 N ALA A 94 9.902 -24.681 -1.832 1.00 50.21 N ATOM 1377 CA ALA A 94 9.536 -23.273 -1.735 1.00 24.11 C ATOM 1378 C ALA A 94 8.194 -23.102 -1.032 1.00 50.21 C ATOM 1379 O ALA A 94 8.058 -22.280 -0.125 1.00 71.41 O ATOM 1380 CB ALA A 94 9.494 -22.642 -3.119 1.00 21.13 C ATOM 0 H ALA A 94 10.114 -24.997 -2.778 1.00 50.21 H new ATOM 0 HA ALA A 94 10.295 -22.766 -1.140 1.00 24.11 H new ATOM 0 HB1 ALA A 94 9.219 -21.591 -3.031 1.00 21.13 H new ATOM 0 HB2 ALA A 94 10.476 -22.723 -3.586 1.00 21.13 H new ATOM 0 HB3 ALA A 94 8.757 -23.160 -3.733 1.00 21.13 H new ATOM 1386 N ARG A 95 7.205 -23.881 -1.457 1.00 61.40 N ATOM 1387 CA ARG A 95 5.873 -23.814 -0.869 1.00 54.02 C ATOM 1388 C ARG A 95 5.883 -24.339 0.564 1.00 43.34 C ATOM 1389 O ARG A 95 5.169 -23.829 1.427 1.00 34.51 O ATOM 1390 CB ARG A 95 4.880 -24.618 -1.711 1.00 14.24 C ATOM 1391 CG ARG A 95 3.465 -24.063 -1.678 1.00 72.20 C ATOM 1392 CD ARG A 95 2.496 -24.964 -2.428 1.00 40.34 C ATOM 1393 NE ARG A 95 1.212 -24.310 -2.664 1.00 52.45 N ATOM 1394 CZ ARG A 95 0.299 -24.118 -1.718 1.00 64.41 C ATOM 1395 NH1 ARG A 95 0.529 -24.529 -0.479 1.00 3.15 N ATOM 1396 NH2 ARG A 95 -0.846 -23.515 -2.011 1.00 25.02 N ATOM 0 H ARG A 95 7.301 -24.566 -2.207 1.00 61.40 H new ATOM 0 HA ARG A 95 5.563 -22.769 -0.852 1.00 54.02 H new ATOM 0 HB2 ARG A 95 5.228 -24.642 -2.744 1.00 14.24 H new ATOM 0 HB3 ARG A 95 4.866 -25.648 -1.355 1.00 14.24 H new ATOM 0 HG2 ARG A 95 3.139 -23.957 -0.643 1.00 72.20 H new ATOM 0 HG3 ARG A 95 3.453 -23.067 -2.120 1.00 72.20 H new ATOM 0 HD2 ARG A 95 2.936 -25.255 -3.382 1.00 40.34 H new ATOM 0 HD3 ARG A 95 2.337 -25.880 -1.858 1.00 40.34 H new ATOM 0 HE ARG A 95 1.004 -23.982 -3.607 1.00 52.45 H new ATOM 0 HH11 ARG A 95 1.408 -24.993 -0.251 1.00 3.15 H new ATOM 0 HH12 ARG A 95 -0.173 -24.381 0.246 1.00 3.15 H new ATOM 0 HH21 ARG A 95 -1.026 -23.198 -2.964 1.00 25.02 H new ATOM 0 HH22 ARG A 95 -1.546 -23.368 -1.284 1.00 25.02 H new ATOM 1410 N ASP A 96 6.698 -25.359 0.808 1.00 32.22 N ATOM 1411 CA ASP A 96 6.802 -25.953 2.136 1.00 1.21 C ATOM 1412 C ASP A 96 7.192 -24.903 3.172 1.00 41.23 C ATOM 1413 O ASP A 96 6.709 -24.923 4.303 1.00 35.11 O ATOM 1414 CB ASP A 96 7.827 -27.088 2.132 1.00 43.15 C ATOM 1415 CG ASP A 96 8.199 -27.538 3.531 1.00 40.03 C ATOM 1416 OD1 ASP A 96 9.390 -27.837 3.762 1.00 54.34 O ATOM 1417 OD2 ASP A 96 7.300 -27.591 4.395 1.00 15.41 O ATOM 0 H ASP A 96 7.296 -25.792 0.104 1.00 32.22 H new ATOM 0 HA ASP A 96 5.826 -26.357 2.404 1.00 1.21 H new ATOM 0 HB2 ASP A 96 7.425 -27.935 1.576 1.00 43.15 H new ATOM 0 HB3 ASP A 96 8.725 -26.761 1.608 1.00 43.15 H new ATOM 1422 N ALA A 97 8.070 -23.987 2.777 1.00 44.05 N ATOM 1423 CA ALA A 97 8.525 -22.929 3.670 1.00 53.42 C ATOM 1424 C ALA A 97 7.445 -21.869 3.859 1.00 13.21 C ATOM 1425 O ALA A 97 7.279 -21.325 4.950 1.00 31.32 O ATOM 1426 CB ALA A 97 9.800 -22.296 3.133 1.00 53.54 C ATOM 0 H ALA A 97 8.481 -23.957 1.844 1.00 44.05 H new ATOM 0 HA ALA A 97 8.736 -23.374 4.642 1.00 53.42 H new ATOM 0 HB1 ALA A 97 10.128 -21.508 3.810 1.00 53.54 H new ATOM 0 HB2 ALA A 97 10.578 -23.055 3.056 1.00 53.54 H new ATOM 0 HB3 ALA A 97 9.608 -21.871 2.148 1.00 53.54 H new ATOM 1432 N GLY A 98 6.712 -21.579 2.788 1.00 41.11 N ATOM 1433 CA GLY A 98 5.658 -20.584 2.857 1.00 33.24 C ATOM 1434 C GLY A 98 5.898 -19.418 1.920 1.00 42.24 C ATOM 1435 O GLY A 98 5.628 -18.268 2.266 1.00 72.31 O ATOM 0 H GLY A 98 6.830 -22.016 1.874 1.00 41.11 H new ATOM 0 HA2 GLY A 98 4.704 -21.052 2.612 1.00 33.24 H new ATOM 0 HA3 GLY A 98 5.579 -20.214 3.879 1.00 33.24 H new ATOM 1439 N ALA A 99 6.410 -19.713 0.729 1.00 34.51 N ATOM 1440 CA ALA A 99 6.686 -18.680 -0.261 1.00 64.53 C ATOM 1441 C ALA A 99 5.552 -18.574 -1.275 1.00 1.21 C ATOM 1442 O ALA A 99 4.901 -19.567 -1.602 1.00 4.01 O ATOM 1443 CB ALA A 99 8.003 -18.966 -0.968 1.00 62.20 C ATOM 0 H ALA A 99 6.642 -20.659 0.427 1.00 34.51 H new ATOM 0 HA ALA A 99 6.764 -17.725 0.259 1.00 64.53 H new ATOM 0 HB1 ALA A 99 8.197 -18.187 -1.705 1.00 62.20 H new ATOM 0 HB2 ALA A 99 8.812 -18.984 -0.237 1.00 62.20 H new ATOM 0 HB3 ALA A 99 7.945 -19.932 -1.469 1.00 62.20 H new ATOM 1449 N THR A 100 5.319 -17.362 -1.770 1.00 33.12 N ATOM 1450 CA THR A 100 4.262 -17.125 -2.745 1.00 33.32 C ATOM 1451 C THR A 100 4.572 -17.811 -4.070 1.00 65.21 C ATOM 1452 O THR A 100 3.828 -18.682 -4.519 1.00 42.33 O ATOM 1453 CB THR A 100 4.055 -15.619 -2.995 1.00 63.41 C ATOM 1454 OG1 THR A 100 3.684 -14.967 -1.776 1.00 54.40 O ATOM 1455 CG2 THR A 100 2.982 -15.388 -4.048 1.00 10.01 C ATOM 0 H THR A 100 5.848 -16.529 -1.511 1.00 33.12 H new ATOM 0 HA THR A 100 3.347 -17.545 -2.327 1.00 33.32 H new ATOM 0 HB THR A 100 4.994 -15.201 -3.359 1.00 63.41 H new ATOM 0 HG1 THR A 100 2.993 -14.297 -1.961 1.00 54.40 H new ATOM 0 HG21 THR A 100 2.853 -14.317 -4.208 1.00 10.01 H new ATOM 0 HG22 THR A 100 3.282 -15.861 -4.983 1.00 10.01 H new ATOM 0 HG23 THR A 100 2.040 -15.820 -3.709 1.00 10.01 H new ATOM 1463 N GLY A 101 5.678 -17.413 -4.692 1.00 62.34 N ATOM 1464 CA GLY A 101 6.068 -18.001 -5.961 1.00 20.24 C ATOM 1465 C GLY A 101 7.572 -18.126 -6.104 1.00 31.22 C ATOM 1466 O GLY A 101 8.324 -17.655 -5.251 1.00 44.43 O ATOM 0 H GLY A 101 6.311 -16.694 -4.340 1.00 62.34 H new ATOM 0 HA2 GLY A 101 5.614 -18.987 -6.056 1.00 20.24 H new ATOM 0 HA3 GLY A 101 5.678 -17.391 -6.776 1.00 20.24 H new ATOM 1470 N TRP A 102 8.011 -18.764 -7.183 1.00 34.33 N ATOM 1471 CA TRP A 102 9.435 -18.952 -7.433 1.00 42.52 C ATOM 1472 C TRP A 102 9.766 -18.710 -8.902 1.00 10.11 C ATOM 1473 O TRP A 102 8.877 -18.697 -9.754 1.00 13.35 O ATOM 1474 CB TRP A 102 9.864 -20.362 -7.026 1.00 64.13 C ATOM 1475 CG TRP A 102 9.555 -21.399 -8.063 1.00 34.53 C ATOM 1476 CD1 TRP A 102 8.470 -21.431 -8.891 1.00 75.54 C ATOM 1477 CD2 TRP A 102 10.338 -22.556 -8.379 1.00 14.42 C ATOM 1478 NE1 TRP A 102 8.531 -22.538 -9.704 1.00 31.13 N ATOM 1479 CE2 TRP A 102 9.668 -23.243 -9.410 1.00 33.44 C ATOM 1480 CE3 TRP A 102 11.540 -23.076 -7.893 1.00 43.32 C ATOM 1481 CZ2 TRP A 102 10.161 -24.423 -9.960 1.00 23.20 C ATOM 1482 CZ3 TRP A 102 12.029 -24.247 -8.440 1.00 54.12 C ATOM 1483 CH2 TRP A 102 11.341 -24.910 -9.465 1.00 53.13 C ATOM 0 H TRP A 102 7.401 -19.160 -7.899 1.00 34.33 H new ATOM 0 HA TRP A 102 9.983 -18.226 -6.832 1.00 42.52 H new ATOM 0 HB2 TRP A 102 10.936 -20.365 -6.828 1.00 64.13 H new ATOM 0 HB3 TRP A 102 9.367 -20.631 -6.094 1.00 64.13 H new ATOM 0 HD1 TRP A 102 7.680 -20.695 -8.905 1.00 75.54 H new ATOM 0 HE1 TRP A 102 7.842 -22.793 -10.411 1.00 31.13 H new ATOM 0 HE3 TRP A 102 12.078 -22.572 -7.104 1.00 43.32 H new ATOM 0 HZ2 TRP A 102 9.631 -24.936 -10.749 1.00 23.20 H new ATOM 0 HZ3 TRP A 102 12.957 -24.658 -8.071 1.00 54.12 H new ATOM 0 HH2 TRP A 102 11.749 -25.823 -9.872 1.00 53.13 H new ATOM 1494 N ILE A 103 11.049 -18.520 -9.191 1.00 53.44 N ATOM 1495 CA ILE A 103 11.495 -18.280 -10.558 1.00 64.01 C ATOM 1496 C ILE A 103 12.909 -18.810 -10.775 1.00 53.23 C ATOM 1497 O ILE A 103 13.665 -18.997 -9.823 1.00 12.53 O ATOM 1498 CB ILE A 103 11.462 -16.780 -10.906 1.00 62.23 C ATOM 1499 CG1 ILE A 103 11.786 -15.940 -9.669 1.00 42.25 C ATOM 1500 CG2 ILE A 103 10.103 -16.398 -11.472 1.00 13.30 C ATOM 1501 CD1 ILE A 103 13.127 -16.267 -9.051 1.00 21.43 C ATOM 0 H ILE A 103 11.797 -18.528 -8.498 1.00 53.44 H new ATOM 0 HA ILE A 103 10.805 -18.812 -11.213 1.00 64.01 H new ATOM 0 HB ILE A 103 12.219 -16.581 -11.665 1.00 62.23 H new ATOM 0 HG12 ILE A 103 11.768 -14.885 -9.942 1.00 42.25 H new ATOM 0 HG13 ILE A 103 11.005 -16.090 -8.923 1.00 42.25 H new ATOM 0 HG21 ILE A 103 10.095 -15.335 -11.713 1.00 13.30 H new ATOM 0 HG22 ILE A 103 9.909 -16.976 -12.375 1.00 13.30 H new ATOM 0 HG23 ILE A 103 9.329 -16.608 -10.734 1.00 13.30 H new ATOM 0 HD11 ILE A 103 13.290 -15.633 -8.179 1.00 21.43 H new ATOM 0 HD12 ILE A 103 13.142 -17.314 -8.747 1.00 21.43 H new ATOM 0 HD13 ILE A 103 13.917 -16.090 -9.781 1.00 21.43 H new ATOM 1513 N GLU A 104 13.258 -19.048 -12.036 1.00 23.04 N ATOM 1514 CA GLU A 104 14.582 -19.555 -12.378 1.00 30.45 C ATOM 1515 C GLU A 104 15.460 -18.445 -12.947 1.00 0.32 C ATOM 1516 O GLU A 104 15.040 -17.695 -13.828 1.00 74.14 O ATOM 1517 CB GLU A 104 14.469 -20.699 -13.387 1.00 71.34 C ATOM 1518 CG GLU A 104 13.566 -20.382 -14.567 1.00 74.44 C ATOM 1519 CD GLU A 104 12.115 -20.738 -14.304 1.00 3.12 C ATOM 1520 OE1 GLU A 104 11.869 -21.726 -13.580 1.00 43.14 O ATOM 1521 OE2 GLU A 104 11.227 -20.029 -14.821 1.00 33.14 O ATOM 0 H GLU A 104 12.643 -18.898 -12.836 1.00 23.04 H new ATOM 0 HA GLU A 104 15.046 -19.929 -11.466 1.00 30.45 H new ATOM 0 HB2 GLU A 104 15.464 -20.945 -13.758 1.00 71.34 H new ATOM 0 HB3 GLU A 104 14.090 -21.585 -12.878 1.00 71.34 H new ATOM 0 HG2 GLU A 104 13.639 -19.320 -14.800 1.00 74.44 H new ATOM 0 HG3 GLU A 104 13.916 -20.926 -15.444 1.00 74.44 H new ATOM 1528 N LYS A 105 16.682 -18.345 -12.436 1.00 4.51 N ATOM 1529 CA LYS A 105 17.622 -17.327 -12.892 1.00 51.00 C ATOM 1530 C LYS A 105 18.228 -17.710 -14.238 1.00 71.33 C ATOM 1531 O LYS A 105 18.215 -18.873 -14.643 1.00 43.14 O ATOM 1532 CB LYS A 105 18.733 -17.129 -11.858 1.00 71.24 C ATOM 1533 CG LYS A 105 18.622 -15.825 -11.088 1.00 41.44 C ATOM 1534 CD LYS A 105 19.035 -15.997 -9.636 1.00 61.43 C ATOM 1535 CE LYS A 105 20.545 -16.110 -9.496 1.00 64.41 C ATOM 1536 NZ LYS A 105 20.962 -16.245 -8.073 1.00 33.23 N ATOM 0 H LYS A 105 17.045 -18.957 -11.705 1.00 4.51 H new ATOM 0 HA LYS A 105 17.076 -16.392 -13.012 1.00 51.00 H new ATOM 0 HB2 LYS A 105 18.714 -17.960 -11.153 1.00 71.24 H new ATOM 0 HB3 LYS A 105 19.698 -17.162 -12.363 1.00 71.24 H new ATOM 0 HG2 LYS A 105 19.251 -15.069 -11.559 1.00 41.44 H new ATOM 0 HG3 LYS A 105 17.596 -15.460 -11.134 1.00 41.44 H new ATOM 0 HD2 LYS A 105 18.677 -15.149 -9.052 1.00 61.43 H new ATOM 0 HD3 LYS A 105 18.563 -16.889 -9.225 1.00 61.43 H new ATOM 0 HE2 LYS A 105 20.898 -16.972 -10.061 1.00 64.41 H new ATOM 0 HE3 LYS A 105 21.017 -15.229 -9.931 1.00 64.41 H new ATOM 0 HZ1 LYS A 105 21.993 -16.370 -8.024 1.00 33.23 H new ATOM 0 HZ2 LYS A 105 20.692 -15.388 -7.549 1.00 33.23 H new ATOM 0 HZ3 LYS A 105 20.492 -17.071 -7.651 1.00 33.23 H new ATOM 1550 N PRO A 106 18.773 -16.712 -14.949 1.00 11.32 N ATOM 1551 CA PRO A 106 18.793 -15.324 -14.477 1.00 42.11 C ATOM 1552 C PRO A 106 17.405 -14.693 -14.471 1.00 71.23 C ATOM 1553 O PRO A 106 16.430 -15.313 -14.898 1.00 50.41 O ATOM 1554 CB PRO A 106 19.697 -14.618 -15.491 1.00 1.12 C ATOM 1555 CG PRO A 106 19.593 -15.441 -16.728 1.00 43.34 C ATOM 1556 CD PRO A 106 19.411 -16.860 -16.268 1.00 32.43 C ATOM 0 HA PRO A 106 19.143 -15.249 -13.448 1.00 42.11 H new ATOM 0 HB2 PRO A 106 19.369 -13.594 -15.668 1.00 1.12 H new ATOM 0 HB3 PRO A 106 20.726 -14.566 -15.135 1.00 1.12 H new ATOM 0 HG2 PRO A 106 18.751 -15.119 -17.341 1.00 43.34 H new ATOM 0 HG3 PRO A 106 20.490 -15.341 -17.340 1.00 43.34 H new ATOM 0 HD2 PRO A 106 18.785 -17.428 -16.956 1.00 32.43 H new ATOM 0 HD3 PRO A 106 20.364 -17.385 -16.197 1.00 32.43 H new ATOM 1564 N ILE A 107 17.323 -13.459 -13.986 1.00 71.01 N ATOM 1565 CA ILE A 107 16.054 -12.745 -13.927 1.00 13.22 C ATOM 1566 C ILE A 107 16.032 -11.580 -14.911 1.00 32.11 C ATOM 1567 O ILE A 107 17.018 -10.858 -15.056 1.00 64.10 O ATOM 1568 CB ILE A 107 15.774 -12.210 -12.510 1.00 21.22 C ATOM 1569 CG1 ILE A 107 15.978 -13.318 -11.474 1.00 12.31 C ATOM 1570 CG2 ILE A 107 14.362 -11.650 -12.424 1.00 20.40 C ATOM 1571 CD1 ILE A 107 15.120 -14.539 -11.719 1.00 31.33 C ATOM 0 H ILE A 107 18.120 -12.933 -13.628 1.00 71.01 H new ATOM 0 HA ILE A 107 15.277 -13.460 -14.197 1.00 13.22 H new ATOM 0 HB ILE A 107 16.476 -11.404 -12.296 1.00 21.22 H new ATOM 0 HG12 ILE A 107 17.027 -13.615 -11.473 1.00 12.31 H new ATOM 0 HG13 ILE A 107 15.758 -12.922 -10.482 1.00 12.31 H new ATOM 0 HG21 ILE A 107 14.180 -11.276 -11.417 1.00 20.40 H new ATOM 0 HG22 ILE A 107 14.249 -10.835 -13.139 1.00 20.40 H new ATOM 0 HG23 ILE A 107 13.644 -12.437 -12.654 1.00 20.40 H new ATOM 0 HD11 ILE A 107 15.317 -15.283 -10.947 1.00 31.33 H new ATOM 0 HD12 ILE A 107 14.068 -14.256 -11.690 1.00 31.33 H new ATOM 0 HD13 ILE A 107 15.356 -14.959 -12.696 1.00 31.33 H new ATOM 1583 N ASP A 108 14.900 -11.402 -15.583 1.00 61.34 N ATOM 1584 CA ASP A 108 14.748 -10.323 -16.552 1.00 71.02 C ATOM 1585 C ASP A 108 14.256 -9.049 -15.873 1.00 53.32 C ATOM 1586 O ASP A 108 13.619 -9.083 -14.820 1.00 60.40 O ATOM 1587 CB ASP A 108 13.775 -10.735 -17.658 1.00 33.01 C ATOM 1588 CG ASP A 108 14.486 -11.136 -18.935 1.00 60.22 C ATOM 1589 OD1 ASP A 108 15.510 -10.503 -19.268 1.00 34.33 O ATOM 1590 OD2 ASP A 108 14.019 -12.083 -19.603 1.00 15.31 O ATOM 0 H ASP A 108 14.074 -11.991 -15.475 1.00 61.34 H new ATOM 0 HA ASP A 108 15.724 -10.124 -16.994 1.00 71.02 H new ATOM 0 HB2 ASP A 108 13.164 -11.568 -17.309 1.00 33.01 H new ATOM 0 HB3 ASP A 108 13.097 -9.908 -17.868 1.00 33.01 H new ATOM 1595 N PRO A 109 14.558 -7.896 -16.488 1.00 54.43 N ATOM 1596 CA PRO A 109 14.156 -6.588 -15.961 1.00 21.23 C ATOM 1597 C PRO A 109 12.652 -6.360 -16.059 1.00 74.53 C ATOM 1598 O PRO A 109 12.061 -5.681 -15.221 1.00 75.02 O ATOM 1599 CB PRO A 109 14.907 -5.599 -16.856 1.00 14.23 C ATOM 1600 CG PRO A 109 15.132 -6.337 -18.130 1.00 3.20 C ATOM 1601 CD PRO A 109 15.314 -7.779 -17.747 1.00 33.44 C ATOM 0 HA PRO A 109 14.389 -6.487 -14.901 1.00 21.23 H new ATOM 0 HB2 PRO A 109 14.324 -4.693 -17.021 1.00 14.23 H new ATOM 0 HB3 PRO A 109 15.850 -5.293 -16.404 1.00 14.23 H new ATOM 0 HG2 PRO A 109 14.285 -6.217 -18.805 1.00 3.20 H new ATOM 0 HG3 PRO A 109 16.011 -5.958 -18.651 1.00 3.20 H new ATOM 0 HD2 PRO A 109 14.925 -8.450 -18.513 1.00 33.44 H new ATOM 0 HD3 PRO A 109 16.366 -8.028 -17.609 1.00 33.44 H new ATOM 1609 N GLY A 110 12.037 -6.934 -17.090 1.00 10.04 N ATOM 1610 CA GLY A 110 10.606 -6.782 -17.278 1.00 42.42 C ATOM 1611 C GLY A 110 9.801 -7.608 -16.296 1.00 34.42 C ATOM 1612 O GLY A 110 8.810 -7.134 -15.740 1.00 31.13 O ATOM 0 H GLY A 110 12.504 -7.501 -17.797 1.00 10.04 H new ATOM 0 HA2 GLY A 110 10.338 -5.731 -17.169 1.00 42.42 H new ATOM 0 HA3 GLY A 110 10.343 -7.074 -18.295 1.00 42.42 H new ATOM 1616 N VAL A 111 10.225 -8.850 -16.082 1.00 12.00 N ATOM 1617 CA VAL A 111 9.536 -9.745 -15.160 1.00 74.34 C ATOM 1618 C VAL A 111 9.653 -9.251 -13.723 1.00 50.10 C ATOM 1619 O VAL A 111 8.665 -9.201 -12.989 1.00 53.55 O ATOM 1620 CB VAL A 111 10.095 -11.178 -15.246 1.00 53.12 C ATOM 1621 CG1 VAL A 111 9.318 -12.110 -14.329 1.00 21.21 C ATOM 1622 CG2 VAL A 111 10.059 -11.678 -16.682 1.00 60.14 C ATOM 0 H VAL A 111 11.042 -9.259 -16.535 1.00 12.00 H new ATOM 0 HA VAL A 111 8.486 -9.754 -15.453 1.00 74.34 H new ATOM 0 HB VAL A 111 11.134 -11.165 -14.916 1.00 53.12 H new ATOM 0 HG11 VAL A 111 9.727 -13.118 -14.403 1.00 21.21 H new ATOM 0 HG12 VAL A 111 9.400 -11.760 -13.300 1.00 21.21 H new ATOM 0 HG13 VAL A 111 8.269 -12.121 -14.626 1.00 21.21 H new ATOM 0 HG21 VAL A 111 10.457 -12.692 -16.724 1.00 60.14 H new ATOM 0 HG22 VAL A 111 9.030 -11.677 -17.042 1.00 60.14 H new ATOM 0 HG23 VAL A 111 10.664 -11.024 -17.310 1.00 60.14 H new ATOM 1632 N LEU A 112 10.867 -8.886 -13.326 1.00 61.30 N ATOM 1633 CA LEU A 112 11.115 -8.395 -11.975 1.00 52.51 C ATOM 1634 C LEU A 112 10.217 -7.204 -11.656 1.00 14.21 C ATOM 1635 O LEU A 112 9.657 -7.110 -10.563 1.00 70.04 O ATOM 1636 CB LEU A 112 12.583 -7.997 -11.817 1.00 44.12 C ATOM 1637 CG LEU A 112 13.004 -7.522 -10.426 1.00 24.30 C ATOM 1638 CD1 LEU A 112 13.420 -8.703 -9.562 1.00 61.03 C ATOM 1639 CD2 LEU A 112 14.135 -6.509 -10.528 1.00 24.23 C ATOM 0 H LEU A 112 11.695 -8.921 -13.920 1.00 61.30 H new ATOM 0 HA LEU A 112 10.885 -9.198 -11.275 1.00 52.51 H new ATOM 0 HB2 LEU A 112 13.202 -8.852 -12.090 1.00 44.12 H new ATOM 0 HB3 LEU A 112 12.802 -7.204 -12.532 1.00 44.12 H new ATOM 0 HG LEU A 112 12.149 -7.036 -9.955 1.00 24.30 H new ATOM 0 HD11 LEU A 112 13.716 -8.346 -8.576 1.00 61.03 H new ATOM 0 HD12 LEU A 112 12.582 -9.393 -9.461 1.00 61.03 H new ATOM 0 HD13 LEU A 112 14.260 -9.217 -10.029 1.00 61.03 H new ATOM 0 HD21 LEU A 112 14.422 -6.182 -9.529 1.00 24.23 H new ATOM 0 HD22 LEU A 112 14.992 -6.969 -11.019 1.00 24.23 H new ATOM 0 HD23 LEU A 112 13.802 -5.649 -11.110 1.00 24.23 H new ATOM 1651 N VAL A 113 10.081 -6.296 -12.618 1.00 24.32 N ATOM 1652 CA VAL A 113 9.248 -5.113 -12.441 1.00 3.12 C ATOM 1653 C VAL A 113 7.767 -5.468 -12.509 1.00 23.22 C ATOM 1654 O VAL A 113 6.946 -4.883 -11.803 1.00 61.43 O ATOM 1655 CB VAL A 113 9.558 -4.044 -13.506 1.00 31.21 C ATOM 1656 CG1 VAL A 113 8.653 -2.835 -13.328 1.00 12.32 C ATOM 1657 CG2 VAL A 113 11.023 -3.638 -13.443 1.00 34.24 C ATOM 0 H VAL A 113 10.537 -6.358 -13.528 1.00 24.32 H new ATOM 0 HA VAL A 113 9.477 -4.710 -11.455 1.00 3.12 H new ATOM 0 HB VAL A 113 9.365 -4.470 -14.490 1.00 31.21 H new ATOM 0 HG11 VAL A 113 8.887 -2.090 -14.089 1.00 12.32 H new ATOM 0 HG12 VAL A 113 7.612 -3.142 -13.428 1.00 12.32 H new ATOM 0 HG13 VAL A 113 8.811 -2.405 -12.339 1.00 12.32 H new ATOM 0 HG21 VAL A 113 11.224 -2.882 -14.202 1.00 34.24 H new ATOM 0 HG22 VAL A 113 11.245 -3.230 -12.457 1.00 34.24 H new ATOM 0 HG23 VAL A 113 11.651 -4.511 -13.625 1.00 34.24 H new ATOM 1667 N GLU A 114 7.434 -6.431 -13.363 1.00 31.14 N ATOM 1668 CA GLU A 114 6.051 -6.864 -13.522 1.00 74.05 C ATOM 1669 C GLU A 114 5.513 -7.458 -12.224 1.00 31.03 C ATOM 1670 O GLU A 114 4.340 -7.287 -11.888 1.00 42.30 O ATOM 1671 CB GLU A 114 5.942 -7.893 -14.650 1.00 11.30 C ATOM 1672 CG GLU A 114 5.932 -7.275 -16.038 1.00 70.23 C ATOM 1673 CD GLU A 114 6.581 -8.168 -17.078 1.00 41.43 C ATOM 1674 OE1 GLU A 114 7.196 -7.628 -18.022 1.00 3.43 O ATOM 1675 OE2 GLU A 114 6.474 -9.405 -16.949 1.00 51.15 O ATOM 0 H GLU A 114 8.102 -6.925 -13.954 1.00 31.14 H new ATOM 0 HA GLU A 114 5.451 -5.990 -13.777 1.00 74.05 H new ATOM 0 HB2 GLU A 114 6.778 -8.589 -14.577 1.00 11.30 H new ATOM 0 HB3 GLU A 114 5.030 -8.474 -14.514 1.00 11.30 H new ATOM 0 HG2 GLU A 114 4.903 -7.069 -16.333 1.00 70.23 H new ATOM 0 HG3 GLU A 114 6.453 -6.318 -16.010 1.00 70.23 H new ATOM 1682 N LEU A 115 6.378 -8.157 -11.497 1.00 72.34 N ATOM 1683 CA LEU A 115 5.991 -8.778 -10.235 1.00 41.01 C ATOM 1684 C LEU A 115 5.740 -7.722 -9.163 1.00 63.04 C ATOM 1685 O LEU A 115 4.881 -7.892 -8.298 1.00 70.04 O ATOM 1686 CB LEU A 115 7.077 -9.748 -9.767 1.00 64.02 C ATOM 1687 CG LEU A 115 7.290 -10.988 -10.637 1.00 2.41 C ATOM 1688 CD1 LEU A 115 8.462 -11.808 -10.120 1.00 14.15 C ATOM 1689 CD2 LEU A 115 6.025 -11.831 -10.682 1.00 35.21 C ATOM 0 H LEU A 115 7.352 -8.308 -11.760 1.00 72.34 H new ATOM 0 HA LEU A 115 5.066 -9.330 -10.399 1.00 41.01 H new ATOM 0 HB2 LEU A 115 8.020 -9.205 -9.707 1.00 64.02 H new ATOM 0 HB3 LEU A 115 6.833 -10.075 -8.756 1.00 64.02 H new ATOM 0 HG LEU A 115 7.521 -10.662 -11.651 1.00 2.41 H new ATOM 0 HD11 LEU A 115 8.598 -12.686 -10.751 1.00 14.15 H new ATOM 0 HD12 LEU A 115 9.368 -11.202 -10.141 1.00 14.15 H new ATOM 0 HD13 LEU A 115 8.261 -12.125 -9.097 1.00 14.15 H new ATOM 0 HD21 LEU A 115 6.195 -12.709 -11.305 1.00 35.21 H new ATOM 0 HD22 LEU A 115 5.763 -12.148 -9.673 1.00 35.21 H new ATOM 0 HD23 LEU A 115 5.209 -11.241 -11.100 1.00 35.21 H new ATOM 1701 N VAL A 116 6.495 -6.630 -9.228 1.00 2.21 N ATOM 1702 CA VAL A 116 6.353 -5.544 -8.265 1.00 72.02 C ATOM 1703 C VAL A 116 5.198 -4.623 -8.643 1.00 5.41 C ATOM 1704 O VAL A 116 4.528 -4.063 -7.776 1.00 21.33 O ATOM 1705 CB VAL A 116 7.646 -4.713 -8.161 1.00 75.20 C ATOM 1706 CG1 VAL A 116 7.549 -3.716 -7.016 1.00 71.23 C ATOM 1707 CG2 VAL A 116 8.851 -5.624 -7.985 1.00 61.13 C ATOM 0 H VAL A 116 7.211 -6.474 -9.937 1.00 2.21 H new ATOM 0 HA VAL A 116 6.147 -6.003 -7.298 1.00 72.02 H new ATOM 0 HB VAL A 116 7.774 -4.154 -9.088 1.00 75.20 H new ATOM 0 HG11 VAL A 116 8.471 -3.138 -6.958 1.00 71.23 H new ATOM 0 HG12 VAL A 116 6.709 -3.043 -7.190 1.00 71.23 H new ATOM 0 HG13 VAL A 116 7.397 -4.252 -6.079 1.00 71.23 H new ATOM 0 HG21 VAL A 116 9.756 -5.021 -7.913 1.00 61.13 H new ATOM 0 HG22 VAL A 116 8.733 -6.211 -7.074 1.00 61.13 H new ATOM 0 HG23 VAL A 116 8.929 -6.294 -8.841 1.00 61.13 H new ATOM 1717 N ALA A 117 4.972 -4.470 -9.943 1.00 51.45 N ATOM 1718 CA ALA A 117 3.897 -3.618 -10.437 1.00 13.14 C ATOM 1719 C ALA A 117 2.576 -3.947 -9.749 1.00 22.13 C ATOM 1720 O ALA A 117 1.936 -3.075 -9.161 1.00 35.14 O ATOM 1721 CB ALA A 117 3.759 -3.762 -11.945 1.00 34.21 C ATOM 0 H ALA A 117 5.519 -4.925 -10.674 1.00 51.45 H new ATOM 0 HA ALA A 117 4.151 -2.584 -10.204 1.00 13.14 H new ATOM 0 HB1 ALA A 117 2.953 -3.120 -12.300 1.00 34.21 H new ATOM 0 HB2 ALA A 117 4.693 -3.470 -12.425 1.00 34.21 H new ATOM 0 HB3 ALA A 117 3.532 -4.799 -12.192 1.00 34.21 H new ATOM 1727 N THR A 118 2.173 -5.212 -9.826 1.00 52.43 N ATOM 1728 CA THR A 118 0.928 -5.656 -9.213 1.00 15.40 C ATOM 1729 C THR A 118 0.851 -5.227 -7.752 1.00 71.20 C ATOM 1730 O THR A 118 -0.226 -4.919 -7.240 1.00 54.35 O ATOM 1731 CB THR A 118 0.775 -7.186 -9.296 1.00 31.10 C ATOM 1732 OG1 THR A 118 -0.350 -7.609 -8.517 1.00 61.23 O ATOM 1733 CG2 THR A 118 2.033 -7.883 -8.800 1.00 33.13 C ATOM 0 H THR A 118 2.692 -5.947 -10.307 1.00 52.43 H new ATOM 0 HA THR A 118 0.117 -5.187 -9.770 1.00 15.40 H new ATOM 0 HB THR A 118 0.616 -7.457 -10.340 1.00 31.10 H new ATOM 0 HG1 THR A 118 -0.441 -8.583 -8.576 1.00 61.23 H new ATOM 0 HG21 THR A 118 1.901 -8.963 -8.868 1.00 33.13 H new ATOM 0 HG22 THR A 118 2.882 -7.581 -9.414 1.00 33.13 H new ATOM 0 HG23 THR A 118 2.218 -7.605 -7.763 1.00 33.13 H new ATOM 1741 N LEU A 119 1.999 -5.209 -7.085 1.00 23.33 N ATOM 1742 CA LEU A 119 2.063 -4.817 -5.681 1.00 35.31 C ATOM 1743 C LEU A 119 1.886 -3.310 -5.528 1.00 42.00 C ATOM 1744 O LEU A 119 1.112 -2.847 -4.690 1.00 25.32 O ATOM 1745 CB LEU A 119 3.396 -5.251 -5.069 1.00 50.15 C ATOM 1746 CG LEU A 119 3.942 -6.600 -5.538 1.00 42.02 C ATOM 1747 CD1 LEU A 119 5.257 -6.914 -4.842 1.00 22.51 C ATOM 1748 CD2 LEU A 119 2.926 -7.704 -5.286 1.00 14.23 C ATOM 0 H LEU A 119 2.899 -5.461 -7.493 1.00 23.33 H new ATOM 0 HA LEU A 119 1.250 -5.315 -5.153 1.00 35.31 H new ATOM 0 HB2 LEU A 119 4.140 -4.485 -5.287 1.00 50.15 H new ATOM 0 HB3 LEU A 119 3.282 -5.285 -3.986 1.00 50.15 H new ATOM 0 HG LEU A 119 4.127 -6.542 -6.611 1.00 42.02 H new ATOM 0 HD11 LEU A 119 5.631 -7.878 -5.188 1.00 22.51 H new ATOM 0 HD12 LEU A 119 5.986 -6.138 -5.074 1.00 22.51 H new ATOM 0 HD13 LEU A 119 5.098 -6.952 -3.764 1.00 22.51 H new ATOM 0 HD21 LEU A 119 3.332 -8.657 -5.626 1.00 14.23 H new ATOM 0 HD22 LEU A 119 2.709 -7.762 -4.219 1.00 14.23 H new ATOM 0 HD23 LEU A 119 2.008 -7.485 -5.832 1.00 14.23 H new ATOM 1760 N SER A 120 2.607 -2.549 -6.345 1.00 64.00 N ATOM 1761 CA SER A 120 2.532 -1.093 -6.300 1.00 30.53 C ATOM 1762 C SER A 120 1.084 -0.622 -6.386 1.00 14.34 C ATOM 1763 O SER A 120 0.703 0.365 -5.756 1.00 22.41 O ATOM 1764 CB SER A 120 3.348 -0.484 -7.441 1.00 55.44 C ATOM 1765 OG SER A 120 2.629 -0.528 -8.662 1.00 32.01 O ATOM 0 H SER A 120 3.250 -2.916 -7.046 1.00 64.00 H new ATOM 0 HA SER A 120 2.948 -0.761 -5.349 1.00 30.53 H new ATOM 0 HB2 SER A 120 3.600 0.549 -7.201 1.00 55.44 H new ATOM 0 HB3 SER A 120 4.288 -1.025 -7.549 1.00 55.44 H new ATOM 0 HG SER A 120 2.579 -1.454 -8.979 1.00 32.01 H new