USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 688 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 4 THR OG1 : rot 39:sc= 0.223 USER MOD Single : A 10 THR OG1 : rot 79:sc= 0.87 USER MOD Single : A 15 THR OG1 : rot 73:sc= 0.974 USER MOD Single : A 16 CYS SG : rot -140:sc= -3.11! USER MOD Single : A 22 THR OG1 : rot -42:sc= 1.26 USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.461 USER MOD Single : A 27 SER OG : rot -52:sc= 1.27 USER MOD Single : A 28 HIS : no HD1:sc= -0.718 K(o=-0.72,f=-9.6!) USER MOD Single : A 37 SER OG : rot 180:sc= -0.372 USER MOD Single : A 49 LYS NZ :NH3+ -129:sc= 0.0865 (180deg=-0.0433) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 157:sc= -1.82! (180deg=-3.12!) USER MOD Single : A 61 THR OG1 : rot 75:sc= 0.788 USER MOD Single : A 62 GLN : amide:sc= -0.288 X(o=-0.29,f=0) USER MOD Single : A 65 ASN : amide:sc= -0.0547 K(o=-0.055,f=-0.62!) USER MOD Single : A 68 LYS NZ :NH3+ -127:sc= 0.903 (180deg=-0.122) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 56:sc= 0.174 USER MOD Single : A 73 GLN : amide:sc= 0.299 K(o=0.3,f=-4.6!) USER MOD Single : A 74 TYR OH : rot -143:sc= 0.14 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -1.59 K(o=-1.6,f=-5.1!) USER MOD Single : A 91 LYS NZ :NH3+ 171:sc= -0.0146 (180deg=-0.173) USER MOD ----------------------------------------------------------------- ATOM 45 N THR A 4 -7.097 -2.784 2.517 1.00 0.00 N ATOM 46 CA THR A 4 -5.641 -2.601 2.662 1.00 0.00 C ATOM 47 C THR A 4 -5.138 -1.427 1.787 1.00 0.00 C ATOM 48 O THR A 4 -4.256 -0.682 2.203 1.00 0.00 O ATOM 49 CB THR A 4 -4.886 -3.918 2.322 1.00 0.00 C ATOM 50 OG1 THR A 4 -5.472 -4.989 3.076 1.00 0.00 O ATOM 51 CG2 THR A 4 -3.386 -3.832 2.653 1.00 0.00 C ATOM 0 HA THR A 4 -5.432 -2.351 3.702 1.00 0.00 H new ATOM 0 HB THR A 4 -4.977 -4.092 1.250 1.00 0.00 H new ATOM 0 HG1 THR A 4 -6.444 -4.869 3.113 1.00 0.00 H new ATOM 0 HG21 THR A 4 -2.903 -4.775 2.398 1.00 0.00 H new ATOM 0 HG22 THR A 4 -2.932 -3.025 2.078 1.00 0.00 H new ATOM 0 HG23 THR A 4 -3.259 -3.635 3.718 1.00 0.00 H new ATOM 59 N PHE A 5 -5.753 -1.255 0.596 1.00 0.00 N ATOM 60 CA PHE A 5 -5.530 -0.078 -0.273 1.00 0.00 C ATOM 61 C PHE A 5 -5.848 1.225 0.491 1.00 0.00 C ATOM 62 O PHE A 5 -5.030 2.142 0.528 1.00 0.00 O ATOM 63 CB PHE A 5 -6.391 -0.164 -1.575 1.00 0.00 C ATOM 64 CG PHE A 5 -6.547 1.189 -2.298 1.00 0.00 C ATOM 65 CD1 PHE A 5 -5.453 1.812 -2.900 1.00 0.00 C ATOM 66 CD2 PHE A 5 -7.778 1.865 -2.315 1.00 0.00 C ATOM 67 CE1 PHE A 5 -5.579 3.057 -3.481 1.00 0.00 C ATOM 68 CE2 PHE A 5 -7.901 3.109 -2.912 1.00 0.00 C ATOM 69 CZ PHE A 5 -6.801 3.704 -3.491 1.00 0.00 C ATOM 0 H PHE A 5 -6.417 -1.927 0.211 1.00 0.00 H new ATOM 0 HA PHE A 5 -4.479 -0.071 -0.562 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -5.934 -0.881 -2.257 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -7.379 -0.549 -1.323 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -4.495 1.313 -2.911 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -8.642 1.408 -1.856 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -4.718 3.529 -3.931 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -8.857 3.611 -2.924 1.00 0.00 H new ATOM 0 HZ PHE A 5 -6.893 4.676 -3.953 1.00 0.00 H new ATOM 79 N ASP A 6 -7.050 1.269 1.088 1.00 0.00 N ATOM 80 CA ASP A 6 -7.562 2.447 1.823 1.00 0.00 C ATOM 81 C ASP A 6 -6.634 2.837 2.977 1.00 0.00 C ATOM 82 O ASP A 6 -6.409 4.030 3.230 1.00 0.00 O ATOM 83 CB ASP A 6 -8.987 2.166 2.358 1.00 0.00 C ATOM 84 CG ASP A 6 -10.031 2.102 1.237 1.00 0.00 C ATOM 85 OD1 ASP A 6 -10.390 3.173 0.691 1.00 0.00 O ATOM 86 OD2 ASP A 6 -10.494 0.995 0.885 1.00 0.00 O ATOM 0 H ASP A 6 -7.702 0.485 1.077 1.00 0.00 H new ATOM 0 HA ASP A 6 -7.598 3.284 1.125 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -8.987 1.223 2.905 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -9.266 2.946 3.067 1.00 0.00 H new ATOM 91 N ARG A 7 -6.098 1.808 3.657 1.00 0.00 N ATOM 92 CA ARG A 7 -5.099 1.963 4.730 1.00 0.00 C ATOM 93 C ARG A 7 -3.850 2.706 4.228 1.00 0.00 C ATOM 94 O ARG A 7 -3.439 3.710 4.810 1.00 0.00 O ATOM 95 CB ARG A 7 -4.662 0.578 5.284 1.00 0.00 C ATOM 96 CG ARG A 7 -5.789 -0.323 5.820 1.00 0.00 C ATOM 97 CD ARG A 7 -6.566 0.301 6.981 1.00 0.00 C ATOM 98 NE ARG A 7 -7.458 -0.700 7.615 1.00 0.00 N ATOM 99 CZ ARG A 7 -7.568 -0.918 8.936 1.00 0.00 C ATOM 100 NH1 ARG A 7 -6.906 -0.164 9.806 1.00 0.00 N ATOM 101 NH2 ARG A 7 -8.344 -1.897 9.382 1.00 0.00 N ATOM 0 H ARG A 7 -6.348 0.836 3.476 1.00 0.00 H new ATOM 0 HA ARG A 7 -5.571 2.545 5.522 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -4.141 0.041 4.492 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -3.942 0.741 6.086 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -6.481 -0.548 5.009 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -5.362 -1.271 6.146 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -5.869 0.695 7.721 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -7.156 1.143 6.619 1.00 0.00 H new ATOM 0 HE ARG A 7 -8.036 -1.270 6.997 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -6.306 0.591 9.474 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -6.998 -0.340 10.807 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -8.856 -2.483 8.722 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -8.429 -2.064 10.385 1.00 0.00 H new ATOM 115 N VAL A 8 -3.299 2.221 3.101 1.00 0.00 N ATOM 116 CA VAL A 8 -2.022 2.700 2.543 1.00 0.00 C ATOM 117 C VAL A 8 -2.172 4.102 1.930 1.00 0.00 C ATOM 118 O VAL A 8 -1.261 4.917 2.025 1.00 0.00 O ATOM 119 CB VAL A 8 -1.480 1.693 1.468 1.00 0.00 C ATOM 120 CG1 VAL A 8 -0.146 2.167 0.835 1.00 0.00 C ATOM 121 CG2 VAL A 8 -1.314 0.291 2.085 1.00 0.00 C ATOM 0 H VAL A 8 -3.731 1.480 2.548 1.00 0.00 H new ATOM 0 HA VAL A 8 -1.304 2.764 3.361 1.00 0.00 H new ATOM 0 HB VAL A 8 -2.217 1.649 0.666 1.00 0.00 H new ATOM 0 HG11 VAL A 8 0.187 1.436 0.098 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -0.296 3.131 0.348 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.610 2.268 1.613 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.937 -0.397 1.328 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.609 0.340 2.914 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -2.278 -0.063 2.449 1.00 0.00 H new ATOM 131 N ALA A 9 -3.336 4.357 1.308 1.00 0.00 N ATOM 132 CA ALA A 9 -3.700 5.675 0.750 1.00 0.00 C ATOM 133 C ALA A 9 -3.641 6.755 1.840 1.00 0.00 C ATOM 134 O ALA A 9 -3.141 7.866 1.613 1.00 0.00 O ATOM 135 CB ALA A 9 -5.110 5.613 0.125 1.00 0.00 C ATOM 0 H ALA A 9 -4.058 3.649 1.176 1.00 0.00 H new ATOM 0 HA ALA A 9 -2.983 5.936 -0.028 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -5.370 6.589 -0.284 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -5.122 4.871 -0.673 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -5.835 5.335 0.890 1.00 0.00 H new ATOM 141 N THR A 10 -4.161 6.386 3.024 1.00 0.00 N ATOM 142 CA THR A 10 -4.110 7.216 4.232 1.00 0.00 C ATOM 143 C THR A 10 -2.655 7.406 4.740 1.00 0.00 C ATOM 144 O THR A 10 -2.253 8.540 5.013 1.00 0.00 O ATOM 145 CB THR A 10 -5.020 6.612 5.355 1.00 0.00 C ATOM 146 OG1 THR A 10 -6.342 6.400 4.831 1.00 0.00 O ATOM 147 CG2 THR A 10 -5.117 7.523 6.597 1.00 0.00 C ATOM 0 H THR A 10 -4.633 5.493 3.166 1.00 0.00 H new ATOM 0 HA THR A 10 -4.492 8.203 3.970 1.00 0.00 H new ATOM 0 HB THR A 10 -4.565 5.673 5.669 1.00 0.00 H new ATOM 0 HG1 THR A 10 -6.354 5.578 4.297 1.00 0.00 H new ATOM 0 HG21 THR A 10 -5.760 7.055 7.342 1.00 0.00 H new ATOM 0 HG22 THR A 10 -4.122 7.672 7.018 1.00 0.00 H new ATOM 0 HG23 THR A 10 -5.537 8.487 6.309 1.00 0.00 H new ATOM 155 N ILE A 11 -1.870 6.300 4.837 1.00 0.00 N ATOM 156 CA ILE A 11 -0.451 6.338 5.292 1.00 0.00 C ATOM 157 C ILE A 11 0.389 7.314 4.441 1.00 0.00 C ATOM 158 O ILE A 11 1.004 8.241 4.977 1.00 0.00 O ATOM 159 CB ILE A 11 0.216 4.902 5.266 1.00 0.00 C ATOM 160 CG1 ILE A 11 -0.536 3.930 6.234 1.00 0.00 C ATOM 161 CG2 ILE A 11 1.732 4.965 5.621 1.00 0.00 C ATOM 162 CD1 ILE A 11 -0.070 2.480 6.214 1.00 0.00 C ATOM 0 H ILE A 11 -2.199 5.363 4.604 1.00 0.00 H new ATOM 0 HA ILE A 11 -0.467 6.692 6.323 1.00 0.00 H new ATOM 0 HB ILE A 11 0.132 4.518 4.249 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.435 4.310 7.251 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -1.598 3.954 5.989 1.00 0.00 H new ATOM 0 HG21 ILE A 11 2.154 3.961 5.593 1.00 0.00 H new ATOM 0 HG22 ILE A 11 2.249 5.597 4.898 1.00 0.00 H new ATOM 0 HG23 ILE A 11 1.855 5.382 6.621 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.660 1.898 6.922 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -0.199 2.070 5.212 1.00 0.00 H new ATOM 0 HD13 ILE A 11 0.983 2.432 6.493 1.00 0.00 H new ATOM 174 N ILE A 12 0.362 7.104 3.112 1.00 0.00 N ATOM 175 CA ILE A 12 1.110 7.911 2.131 1.00 0.00 C ATOM 176 C ILE A 12 0.727 9.405 2.237 1.00 0.00 C ATOM 177 O ILE A 12 1.605 10.284 2.243 1.00 0.00 O ATOM 178 CB ILE A 12 0.858 7.377 0.660 1.00 0.00 C ATOM 179 CG1 ILE A 12 1.398 5.916 0.500 1.00 0.00 C ATOM 180 CG2 ILE A 12 1.480 8.304 -0.403 1.00 0.00 C ATOM 181 CD1 ILE A 12 1.323 5.340 -0.910 1.00 0.00 C ATOM 0 H ILE A 12 -0.187 6.359 2.684 1.00 0.00 H new ATOM 0 HA ILE A 12 2.172 7.816 2.356 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.220 7.371 0.498 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.437 5.893 0.828 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.837 5.264 1.170 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.284 7.901 -1.397 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.040 9.298 -0.321 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.556 8.369 -0.244 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.722 4.326 -0.910 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.285 5.322 -1.241 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.909 5.960 -1.588 1.00 0.00 H new ATOM 193 N ALA A 13 -0.593 9.659 2.330 1.00 0.00 N ATOM 194 CA ALA A 13 -1.160 11.004 2.542 1.00 0.00 C ATOM 195 C ALA A 13 -0.555 11.722 3.766 1.00 0.00 C ATOM 196 O ALA A 13 -0.021 12.829 3.639 1.00 0.00 O ATOM 197 CB ALA A 13 -2.690 10.907 2.679 1.00 0.00 C ATOM 0 H ALA A 13 -1.302 8.929 2.259 1.00 0.00 H new ATOM 0 HA ALA A 13 -0.903 11.605 1.670 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.105 11.903 2.836 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.110 10.477 1.770 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.940 10.272 3.529 1.00 0.00 H new ATOM 203 N GLU A 14 -0.621 11.060 4.928 1.00 0.00 N ATOM 204 CA GLU A 14 -0.154 11.617 6.214 1.00 0.00 C ATOM 205 C GLU A 14 1.365 11.861 6.217 1.00 0.00 C ATOM 206 O GLU A 14 1.839 12.845 6.804 1.00 0.00 O ATOM 207 CB GLU A 14 -0.529 10.657 7.369 1.00 0.00 C ATOM 208 CG GLU A 14 -2.034 10.420 7.551 1.00 0.00 C ATOM 209 CD GLU A 14 -2.309 9.376 8.634 1.00 0.00 C ATOM 210 OE1 GLU A 14 -2.126 8.169 8.363 1.00 0.00 O ATOM 211 OE2 GLU A 14 -2.660 9.751 9.779 1.00 0.00 O ATOM 0 H GLU A 14 -1.001 10.117 5.008 1.00 0.00 H new ATOM 0 HA GLU A 14 -0.646 12.579 6.355 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -0.043 9.697 7.196 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.124 11.056 8.299 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -2.522 11.358 7.816 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -2.468 10.090 6.607 1.00 0.00 H new ATOM 218 N THR A 15 2.111 10.958 5.545 1.00 0.00 N ATOM 219 CA THR A 15 3.577 11.011 5.505 1.00 0.00 C ATOM 220 C THR A 15 4.048 12.219 4.672 1.00 0.00 C ATOM 221 O THR A 15 4.729 13.110 5.188 1.00 0.00 O ATOM 222 CB THR A 15 4.191 9.684 4.919 1.00 0.00 C ATOM 223 OG1 THR A 15 3.727 8.559 5.679 1.00 0.00 O ATOM 224 CG2 THR A 15 5.736 9.692 4.931 1.00 0.00 C ATOM 0 H THR A 15 1.712 10.180 5.021 1.00 0.00 H new ATOM 0 HA THR A 15 3.929 11.121 6.531 1.00 0.00 H new ATOM 0 HB THR A 15 3.864 9.612 3.882 1.00 0.00 H new ATOM 0 HG1 THR A 15 2.786 8.387 5.468 1.00 0.00 H new ATOM 0 HG21 THR A 15 6.108 8.755 4.517 1.00 0.00 H new ATOM 0 HG22 THR A 15 6.100 10.525 4.329 1.00 0.00 H new ATOM 0 HG23 THR A 15 6.091 9.802 5.956 1.00 0.00 H new ATOM 232 N CYS A 16 3.617 12.267 3.402 1.00 0.00 N ATOM 233 CA CYS A 16 4.124 13.228 2.405 1.00 0.00 C ATOM 234 C CYS A 16 3.233 14.479 2.272 1.00 0.00 C ATOM 235 O CYS A 16 3.443 15.278 1.354 1.00 0.00 O ATOM 236 CB CYS A 16 4.231 12.489 1.053 1.00 0.00 C ATOM 237 SG CYS A 16 5.438 11.144 1.081 1.00 0.00 S ATOM 0 H CYS A 16 2.903 11.638 3.034 1.00 0.00 H new ATOM 0 HA CYS A 16 5.098 13.592 2.731 1.00 0.00 H new ATOM 0 HB2 CYS A 16 3.253 12.088 0.786 1.00 0.00 H new ATOM 0 HB3 CYS A 16 4.507 13.202 0.276 1.00 0.00 H new ATOM 0 HG CYS A 16 6.096 11.128 -0.040 1.00 0.00 H new ATOM 243 N ASP A 17 2.284 14.655 3.225 1.00 0.00 N ATOM 244 CA ASP A 17 1.288 15.765 3.245 1.00 0.00 C ATOM 245 C ASP A 17 0.688 16.038 1.846 1.00 0.00 C ATOM 246 O ASP A 17 0.962 17.069 1.211 1.00 0.00 O ATOM 247 CB ASP A 17 1.883 17.050 3.879 1.00 0.00 C ATOM 248 CG ASP A 17 2.272 16.861 5.358 1.00 0.00 C ATOM 249 OD1 ASP A 17 1.373 16.932 6.224 1.00 0.00 O ATOM 250 OD2 ASP A 17 3.471 16.649 5.664 1.00 0.00 O ATOM 0 H ASP A 17 2.184 14.020 4.017 1.00 0.00 H new ATOM 0 HA ASP A 17 0.463 15.441 3.879 1.00 0.00 H new ATOM 0 HB2 ASP A 17 2.763 17.355 3.313 1.00 0.00 H new ATOM 0 HB3 ASP A 17 1.157 17.859 3.800 1.00 0.00 H new ATOM 255 N ILE A 18 -0.088 15.058 1.375 1.00 0.00 N ATOM 256 CA ILE A 18 -0.732 15.058 0.048 1.00 0.00 C ATOM 257 C ILE A 18 -2.175 14.534 0.213 1.00 0.00 C ATOM 258 O ILE A 18 -2.415 13.696 1.088 1.00 0.00 O ATOM 259 CB ILE A 18 0.068 14.189 -1.010 1.00 0.00 C ATOM 260 CG1 ILE A 18 0.411 12.779 -0.428 1.00 0.00 C ATOM 261 CG2 ILE A 18 1.352 14.926 -1.485 1.00 0.00 C ATOM 262 CD1 ILE A 18 1.065 11.840 -1.413 1.00 0.00 C ATOM 0 H ILE A 18 -0.294 14.218 1.916 1.00 0.00 H new ATOM 0 HA ILE A 18 -0.740 16.076 -0.341 1.00 0.00 H new ATOM 0 HB ILE A 18 -0.573 14.047 -1.880 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.072 12.904 0.430 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -0.506 12.319 -0.059 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.880 14.306 -2.210 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.077 15.873 -1.949 1.00 0.00 H new ATOM 0 HG23 ILE A 18 2.000 15.116 -0.629 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.268 10.886 -0.926 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.399 11.680 -2.261 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.001 12.275 -1.764 1.00 0.00 H new ATOM 274 N PRO A 19 -3.168 15.041 -0.585 1.00 0.00 N ATOM 275 CA PRO A 19 -4.602 14.680 -0.412 1.00 0.00 C ATOM 276 C PRO A 19 -4.875 13.169 -0.641 1.00 0.00 C ATOM 277 O PRO A 19 -4.589 12.640 -1.713 1.00 0.00 O ATOM 278 CB PRO A 19 -5.337 15.575 -1.451 1.00 0.00 C ATOM 279 CG PRO A 19 -4.355 16.654 -1.787 1.00 0.00 C ATOM 280 CD PRO A 19 -2.999 15.998 -1.707 1.00 0.00 C ATOM 0 HA PRO A 19 -4.947 14.850 0.608 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -5.617 15.005 -2.337 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -6.255 15.991 -1.036 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.539 17.057 -2.783 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -4.431 17.487 -1.088 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.738 15.491 -2.636 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.209 16.722 -1.507 1.00 0.00 H new ATOM 288 N ARG A 20 -5.402 12.495 0.398 1.00 0.00 N ATOM 289 CA ARG A 20 -5.689 11.037 0.424 1.00 0.00 C ATOM 290 C ARG A 20 -6.524 10.560 -0.787 1.00 0.00 C ATOM 291 O ARG A 20 -6.242 9.500 -1.361 1.00 0.00 O ATOM 292 CB ARG A 20 -6.390 10.711 1.785 1.00 0.00 C ATOM 293 CG ARG A 20 -6.537 9.209 2.194 1.00 0.00 C ATOM 294 CD ARG A 20 -7.688 8.445 1.492 1.00 0.00 C ATOM 295 NE ARG A 20 -8.154 7.282 2.273 1.00 0.00 N ATOM 296 CZ ARG A 20 -8.774 6.211 1.772 1.00 0.00 C ATOM 297 NH1 ARG A 20 -8.806 5.971 0.471 1.00 0.00 N ATOM 298 NH2 ARG A 20 -9.323 5.357 2.597 1.00 0.00 N ATOM 0 H ARG A 20 -5.650 12.958 1.272 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.750 10.489 0.343 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -5.838 11.220 2.575 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -7.388 11.149 1.760 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.599 8.697 1.980 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.691 9.156 3.272 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.523 9.125 1.326 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.351 8.109 0.511 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.988 7.298 3.279 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.349 6.612 -0.177 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -9.287 5.145 0.117 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -9.273 5.516 3.603 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -9.801 4.533 2.234 1.00 0.00 H new ATOM 312 N GLU A 21 -7.520 11.361 -1.201 1.00 0.00 N ATOM 313 CA GLU A 21 -8.485 10.947 -2.250 1.00 0.00 C ATOM 314 C GLU A 21 -7.896 11.121 -3.661 1.00 0.00 C ATOM 315 O GLU A 21 -8.442 10.574 -4.625 1.00 0.00 O ATOM 316 CB GLU A 21 -9.859 11.687 -2.134 1.00 0.00 C ATOM 317 CG GLU A 21 -9.808 13.229 -2.201 1.00 0.00 C ATOM 318 CD GLU A 21 -9.426 13.889 -0.862 1.00 0.00 C ATOM 319 OE1 GLU A 21 -10.304 14.018 0.017 1.00 0.00 O ATOM 320 OE2 GLU A 21 -8.249 14.245 -0.666 1.00 0.00 O ATOM 0 H GLU A 21 -7.683 12.297 -0.831 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.675 9.887 -2.083 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.509 11.330 -2.933 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.325 11.400 -1.191 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -9.088 13.528 -2.963 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -10.782 13.604 -2.517 1.00 0.00 H new ATOM 327 N THR A 22 -6.770 11.867 -3.781 1.00 0.00 N ATOM 328 CA THR A 22 -6.063 12.019 -5.068 1.00 0.00 C ATOM 329 C THR A 22 -5.106 10.823 -5.308 1.00 0.00 C ATOM 330 O THR A 22 -4.381 10.788 -6.308 1.00 0.00 O ATOM 331 CB THR A 22 -5.293 13.383 -5.161 1.00 0.00 C ATOM 332 OG1 THR A 22 -4.227 13.445 -4.204 1.00 0.00 O ATOM 333 CG2 THR A 22 -6.228 14.585 -4.945 1.00 0.00 C ATOM 0 H THR A 22 -6.338 12.368 -3.005 1.00 0.00 H new ATOM 0 HA THR A 22 -6.816 12.025 -5.856 1.00 0.00 H new ATOM 0 HB THR A 22 -4.880 13.435 -6.169 1.00 0.00 H new ATOM 0 HG1 THR A 22 -4.534 13.079 -3.348 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.655 15.509 -5.017 1.00 0.00 H new ATOM 0 HG22 THR A 22 -7.008 14.581 -5.707 1.00 0.00 H new ATOM 0 HG23 THR A 22 -6.685 14.518 -3.958 1.00 0.00 H new ATOM 341 N ILE A 23 -5.098 9.858 -4.356 1.00 0.00 N ATOM 342 CA ILE A 23 -4.496 8.525 -4.537 1.00 0.00 C ATOM 343 C ILE A 23 -5.577 7.617 -5.179 1.00 0.00 C ATOM 344 O ILE A 23 -6.747 7.672 -4.778 1.00 0.00 O ATOM 345 CB ILE A 23 -4.003 7.889 -3.156 1.00 0.00 C ATOM 346 CG1 ILE A 23 -2.692 8.560 -2.601 1.00 0.00 C ATOM 347 CG2 ILE A 23 -3.806 6.361 -3.273 1.00 0.00 C ATOM 348 CD1 ILE A 23 -2.815 10.009 -2.175 1.00 0.00 C ATOM 0 H ILE A 23 -5.515 9.990 -3.434 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.614 8.612 -5.171 1.00 0.00 H new ATOM 0 HB ILE A 23 -4.799 8.090 -2.439 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.344 7.979 -1.747 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -1.920 8.492 -3.368 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -3.471 5.963 -2.315 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.750 5.893 -3.550 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.058 6.148 -4.036 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.851 10.364 -1.811 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.126 10.614 -3.027 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.557 10.093 -1.381 1.00 0.00 H new ATOM 360 N THR A 24 -5.185 6.797 -6.166 1.00 0.00 N ATOM 361 CA THR A 24 -6.079 5.813 -6.820 1.00 0.00 C ATOM 362 C THR A 24 -5.433 4.408 -6.754 1.00 0.00 C ATOM 363 O THR A 24 -4.225 4.306 -6.510 1.00 0.00 O ATOM 364 CB THR A 24 -6.360 6.216 -8.311 1.00 0.00 C ATOM 365 OG1 THR A 24 -5.125 6.338 -9.030 1.00 0.00 O ATOM 366 CG2 THR A 24 -7.141 7.535 -8.411 1.00 0.00 C ATOM 0 H THR A 24 -4.236 6.793 -6.539 1.00 0.00 H new ATOM 0 HA THR A 24 -7.033 5.798 -6.292 1.00 0.00 H new ATOM 0 HB THR A 24 -6.970 5.427 -8.751 1.00 0.00 H new ATOM 0 HG1 THR A 24 -5.311 6.588 -9.959 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.314 7.777 -9.460 1.00 0.00 H new ATOM 0 HG22 THR A 24 -8.098 7.431 -7.900 1.00 0.00 H new ATOM 0 HG23 THR A 24 -6.566 8.335 -7.944 1.00 0.00 H new ATOM 374 N PRO A 25 -6.207 3.283 -6.944 1.00 0.00 N ATOM 375 CA PRO A 25 -5.615 1.922 -6.997 1.00 0.00 C ATOM 376 C PRO A 25 -4.531 1.794 -8.092 1.00 0.00 C ATOM 377 O PRO A 25 -3.554 1.071 -7.917 1.00 0.00 O ATOM 378 CB PRO A 25 -6.832 0.986 -7.253 1.00 0.00 C ATOM 379 CG PRO A 25 -7.926 1.894 -7.732 1.00 0.00 C ATOM 380 CD PRO A 25 -7.689 3.222 -7.049 1.00 0.00 C ATOM 0 HA PRO A 25 -5.088 1.667 -6.077 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -6.596 0.226 -7.998 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -7.124 0.461 -6.344 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -7.898 2.002 -8.816 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -8.907 1.493 -7.477 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -8.087 4.053 -7.632 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -8.165 3.263 -6.069 1.00 0.00 H new ATOM 388 N GLU A 26 -4.661 2.580 -9.182 1.00 0.00 N ATOM 389 CA GLU A 26 -3.768 2.479 -10.354 1.00 0.00 C ATOM 390 C GLU A 26 -2.627 3.520 -10.285 1.00 0.00 C ATOM 391 O GLU A 26 -1.786 3.564 -11.192 1.00 0.00 O ATOM 392 CB GLU A 26 -4.588 2.666 -11.657 1.00 0.00 C ATOM 393 CG GLU A 26 -5.242 4.051 -11.802 1.00 0.00 C ATOM 394 CD GLU A 26 -6.093 4.185 -13.073 1.00 0.00 C ATOM 395 OE1 GLU A 26 -5.547 4.546 -14.133 1.00 0.00 O ATOM 396 OE2 GLU A 26 -7.317 3.916 -13.015 1.00 0.00 O ATOM 0 H GLU A 26 -5.382 3.296 -9.274 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.314 1.488 -10.352 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.933 2.495 -12.512 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.367 1.904 -11.695 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.868 4.244 -10.931 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.464 4.814 -11.811 1.00 0.00 H new ATOM 403 N SER A 27 -2.584 4.337 -9.208 1.00 0.00 N ATOM 404 CA SER A 27 -1.576 5.410 -9.077 1.00 0.00 C ATOM 405 C SER A 27 -0.213 4.822 -8.698 1.00 0.00 C ATOM 406 O SER A 27 -0.121 3.967 -7.805 1.00 0.00 O ATOM 407 CB SER A 27 -2.004 6.470 -8.032 1.00 0.00 C ATOM 408 OG SER A 27 -2.117 5.937 -6.725 1.00 0.00 O ATOM 0 H SER A 27 -3.232 4.273 -8.423 1.00 0.00 H new ATOM 0 HA SER A 27 -1.496 5.904 -10.045 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.277 7.282 -8.027 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.961 6.900 -8.328 1.00 0.00 H new ATOM 0 HG SER A 27 -2.697 5.148 -6.743 1.00 0.00 H new ATOM 414 N HIS A 28 0.830 5.263 -9.410 1.00 0.00 N ATOM 415 CA HIS A 28 2.221 4.924 -9.102 1.00 0.00 C ATOM 416 C HIS A 28 2.741 5.916 -8.054 1.00 0.00 C ATOM 417 O HIS A 28 2.750 7.117 -8.306 1.00 0.00 O ATOM 418 CB HIS A 28 3.069 4.987 -10.390 1.00 0.00 C ATOM 419 CG HIS A 28 4.441 4.382 -10.266 1.00 0.00 C ATOM 420 ND1 HIS A 28 5.479 5.072 -9.704 1.00 0.00 N ATOM 421 CD2 HIS A 28 4.890 3.178 -10.674 1.00 0.00 C ATOM 422 CE1 HIS A 28 6.531 4.289 -9.805 1.00 0.00 C ATOM 423 NE2 HIS A 28 6.225 3.131 -10.387 1.00 0.00 N ATOM 0 H HIS A 28 0.730 5.871 -10.223 1.00 0.00 H new ATOM 0 HA HIS A 28 2.289 3.912 -8.704 1.00 0.00 H new ATOM 0 HB2 HIS A 28 2.532 4.476 -11.189 1.00 0.00 H new ATOM 0 HB3 HIS A 28 3.172 6.029 -10.691 1.00 0.00 H new ATOM 0 HD2 HIS A 28 4.305 2.398 -11.139 1.00 0.00 H new ATOM 0 HE1 HIS A 28 7.520 4.552 -9.459 1.00 0.00 H new ATOM 0 HE2 HIS A 28 6.863 2.359 -10.581 1.00 0.00 H new ATOM 431 N ALA A 29 3.131 5.413 -6.877 1.00 0.00 N ATOM 432 CA ALA A 29 3.619 6.238 -5.747 1.00 0.00 C ATOM 433 C ALA A 29 4.732 7.253 -6.117 1.00 0.00 C ATOM 434 O ALA A 29 4.835 8.309 -5.499 1.00 0.00 O ATOM 435 CB ALA A 29 4.088 5.311 -4.625 1.00 0.00 C ATOM 0 H ALA A 29 3.120 4.414 -6.672 1.00 0.00 H new ATOM 0 HA ALA A 29 2.779 6.853 -5.424 1.00 0.00 H new ATOM 0 HB1 ALA A 29 4.450 5.908 -3.787 1.00 0.00 H new ATOM 0 HB2 ALA A 29 3.256 4.689 -4.295 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.893 4.675 -4.992 1.00 0.00 H new ATOM 441 N ILE A 30 5.527 6.947 -7.148 1.00 0.00 N ATOM 442 CA ILE A 30 6.685 7.779 -7.529 1.00 0.00 C ATOM 443 C ILE A 30 6.335 8.657 -8.742 1.00 0.00 C ATOM 444 O ILE A 30 6.438 9.889 -8.691 1.00 0.00 O ATOM 445 CB ILE A 30 7.944 6.873 -7.817 1.00 0.00 C ATOM 446 CG1 ILE A 30 8.210 5.935 -6.586 1.00 0.00 C ATOM 447 CG2 ILE A 30 9.203 7.717 -8.165 1.00 0.00 C ATOM 448 CD1 ILE A 30 9.357 4.958 -6.755 1.00 0.00 C ATOM 0 H ILE A 30 5.393 6.127 -7.739 1.00 0.00 H new ATOM 0 HA ILE A 30 6.934 8.439 -6.698 1.00 0.00 H new ATOM 0 HB ILE A 30 7.731 6.260 -8.693 1.00 0.00 H new ATOM 0 HG12 ILE A 30 8.408 6.556 -5.712 1.00 0.00 H new ATOM 0 HG13 ILE A 30 7.301 5.371 -6.376 1.00 0.00 H new ATOM 0 HG21 ILE A 30 10.045 7.052 -8.356 1.00 0.00 H new ATOM 0 HG22 ILE A 30 9.005 8.316 -9.054 1.00 0.00 H new ATOM 0 HG23 ILE A 30 9.442 8.375 -7.330 1.00 0.00 H new ATOM 0 HD11 ILE A 30 9.459 4.357 -5.852 1.00 0.00 H new ATOM 0 HD12 ILE A 30 9.157 4.305 -7.605 1.00 0.00 H new ATOM 0 HD13 ILE A 30 10.281 5.509 -6.931 1.00 0.00 H new ATOM 460 N ASP A 31 5.882 7.994 -9.815 1.00 0.00 N ATOM 461 CA ASP A 31 5.574 8.635 -11.116 1.00 0.00 C ATOM 462 C ASP A 31 4.347 9.566 -11.026 1.00 0.00 C ATOM 463 O ASP A 31 4.333 10.636 -11.639 1.00 0.00 O ATOM 464 CB ASP A 31 5.349 7.536 -12.198 1.00 0.00 C ATOM 465 CG ASP A 31 4.828 8.077 -13.542 1.00 0.00 C ATOM 466 OD1 ASP A 31 5.603 8.726 -14.272 1.00 0.00 O ATOM 467 OD2 ASP A 31 3.639 7.858 -13.877 1.00 0.00 O ATOM 0 H ASP A 31 5.715 6.988 -9.812 1.00 0.00 H new ATOM 0 HA ASP A 31 6.425 9.256 -11.397 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.289 7.011 -12.369 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.640 6.802 -11.814 1.00 0.00 H new ATOM 472 N ASP A 32 3.339 9.163 -10.249 1.00 0.00 N ATOM 473 CA ASP A 32 2.066 9.903 -10.130 1.00 0.00 C ATOM 474 C ASP A 32 2.085 10.832 -8.904 1.00 0.00 C ATOM 475 O ASP A 32 1.935 12.047 -9.043 1.00 0.00 O ATOM 476 CB ASP A 32 0.870 8.916 -10.049 1.00 0.00 C ATOM 477 CG ASP A 32 -0.486 9.626 -9.841 1.00 0.00 C ATOM 478 OD1 ASP A 32 -1.004 10.230 -10.806 1.00 0.00 O ATOM 479 OD2 ASP A 32 -1.026 9.601 -8.715 1.00 0.00 O ATOM 0 H ASP A 32 3.375 8.316 -9.682 1.00 0.00 H new ATOM 0 HA ASP A 32 1.946 10.520 -11.020 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.829 8.328 -10.966 1.00 0.00 H new ATOM 0 HB3 ASP A 32 1.038 8.217 -9.229 1.00 0.00 H new ATOM 484 N LEU A 33 2.258 10.253 -7.699 1.00 0.00 N ATOM 485 CA LEU A 33 2.189 11.004 -6.422 1.00 0.00 C ATOM 486 C LEU A 33 3.406 11.933 -6.190 1.00 0.00 C ATOM 487 O LEU A 33 3.400 12.718 -5.232 1.00 0.00 O ATOM 488 CB LEU A 33 2.033 10.006 -5.242 1.00 0.00 C ATOM 489 CG LEU A 33 0.769 9.083 -5.287 1.00 0.00 C ATOM 490 CD1 LEU A 33 0.749 8.090 -4.104 1.00 0.00 C ATOM 491 CD2 LEU A 33 -0.533 9.915 -5.331 1.00 0.00 C ATOM 0 H LEU A 33 2.449 9.258 -7.580 1.00 0.00 H new ATOM 0 HA LEU A 33 1.318 11.657 -6.480 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.920 9.373 -5.208 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.011 10.574 -4.312 1.00 0.00 H new ATOM 0 HG LEU A 33 0.827 8.501 -6.207 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.142 7.466 -4.168 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.637 7.459 -4.143 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.738 8.643 -3.165 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.392 9.245 -5.362 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.594 10.543 -4.442 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.532 10.545 -6.221 1.00 0.00 H new ATOM 503 N GLY A 34 4.442 11.832 -7.056 1.00 0.00 N ATOM 504 CA GLY A 34 5.621 12.721 -6.992 1.00 0.00 C ATOM 505 C GLY A 34 6.500 12.478 -5.772 1.00 0.00 C ATOM 506 O GLY A 34 7.075 13.415 -5.214 1.00 0.00 O ATOM 0 H GLY A 34 4.483 11.143 -7.807 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.218 12.584 -7.893 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.284 13.758 -6.987 1.00 0.00 H new ATOM 510 N ILE A 35 6.588 11.210 -5.361 1.00 0.00 N ATOM 511 CA ILE A 35 7.347 10.780 -4.179 1.00 0.00 C ATOM 512 C ILE A 35 8.559 9.974 -4.639 1.00 0.00 C ATOM 513 O ILE A 35 8.390 8.904 -5.205 1.00 0.00 O ATOM 514 CB ILE A 35 6.436 9.898 -3.255 1.00 0.00 C ATOM 515 CG1 ILE A 35 5.201 10.726 -2.776 1.00 0.00 C ATOM 516 CG2 ILE A 35 7.221 9.299 -2.059 1.00 0.00 C ATOM 517 CD1 ILE A 35 4.178 9.933 -2.007 1.00 0.00 C ATOM 0 H ILE A 35 6.128 10.440 -5.846 1.00 0.00 H new ATOM 0 HA ILE A 35 7.678 11.651 -3.614 1.00 0.00 H new ATOM 0 HB ILE A 35 6.081 9.051 -3.842 1.00 0.00 H new ATOM 0 HG12 ILE A 35 5.551 11.547 -2.151 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.718 11.171 -3.646 1.00 0.00 H new ATOM 0 HG21 ILE A 35 6.549 8.696 -1.448 1.00 0.00 H new ATOM 0 HG22 ILE A 35 8.031 8.673 -2.433 1.00 0.00 H new ATOM 0 HG23 ILE A 35 7.635 10.106 -1.455 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.356 10.586 -1.714 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.795 9.128 -2.634 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.641 9.510 -1.115 1.00 0.00 H new ATOM 529 N ASP A 36 9.774 10.487 -4.394 1.00 0.00 N ATOM 530 CA ASP A 36 11.027 9.824 -4.815 1.00 0.00 C ATOM 531 C ASP A 36 11.193 8.473 -4.081 1.00 0.00 C ATOM 532 O ASP A 36 10.624 8.283 -3.002 1.00 0.00 O ATOM 533 CB ASP A 36 12.224 10.770 -4.541 1.00 0.00 C ATOM 534 CG ASP A 36 13.553 10.257 -5.119 1.00 0.00 C ATOM 535 OD1 ASP A 36 14.273 9.518 -4.418 1.00 0.00 O ATOM 536 OD2 ASP A 36 13.869 10.565 -6.288 1.00 0.00 O ATOM 0 H ASP A 36 9.920 11.368 -3.901 1.00 0.00 H new ATOM 0 HA ASP A 36 10.990 9.613 -5.884 1.00 0.00 H new ATOM 0 HB2 ASP A 36 12.007 11.751 -4.964 1.00 0.00 H new ATOM 0 HB3 ASP A 36 12.332 10.904 -3.465 1.00 0.00 H new ATOM 541 N SER A 37 11.981 7.553 -4.677 1.00 0.00 N ATOM 542 CA SER A 37 12.181 6.185 -4.156 1.00 0.00 C ATOM 543 C SER A 37 12.759 6.184 -2.725 1.00 0.00 C ATOM 544 O SER A 37 12.485 5.262 -1.954 1.00 0.00 O ATOM 545 CB SER A 37 13.104 5.394 -5.109 1.00 0.00 C ATOM 546 OG SER A 37 12.593 5.407 -6.430 1.00 0.00 O ATOM 0 H SER A 37 12.498 7.740 -5.536 1.00 0.00 H new ATOM 0 HA SER A 37 11.205 5.703 -4.107 1.00 0.00 H new ATOM 0 HB2 SER A 37 14.104 5.827 -5.097 1.00 0.00 H new ATOM 0 HB3 SER A 37 13.198 4.365 -4.761 1.00 0.00 H new ATOM 0 HG SER A 37 13.193 4.902 -7.018 1.00 0.00 H new ATOM 552 N LEU A 38 13.516 7.244 -2.375 1.00 0.00 N ATOM 553 CA LEU A 38 14.081 7.417 -1.023 1.00 0.00 C ATOM 554 C LEU A 38 12.950 7.660 -0.012 1.00 0.00 C ATOM 555 O LEU A 38 12.893 7.018 1.035 1.00 0.00 O ATOM 556 CB LEU A 38 15.081 8.603 -0.982 1.00 0.00 C ATOM 557 CG LEU A 38 16.297 8.519 -1.954 1.00 0.00 C ATOM 558 CD1 LEU A 38 17.231 9.743 -1.795 1.00 0.00 C ATOM 559 CD2 LEU A 38 17.072 7.197 -1.774 1.00 0.00 C ATOM 0 H LEU A 38 13.751 8.000 -3.018 1.00 0.00 H new ATOM 0 HA LEU A 38 14.618 6.506 -0.761 1.00 0.00 H new ATOM 0 HB2 LEU A 38 14.533 9.520 -1.199 1.00 0.00 H new ATOM 0 HB3 LEU A 38 15.462 8.693 0.035 1.00 0.00 H new ATOM 0 HG LEU A 38 15.904 8.534 -2.971 1.00 0.00 H new ATOM 0 HD11 LEU A 38 18.069 9.654 -2.487 1.00 0.00 H new ATOM 0 HD12 LEU A 38 16.676 10.655 -2.013 1.00 0.00 H new ATOM 0 HD13 LEU A 38 17.607 9.783 -0.773 1.00 0.00 H new ATOM 0 HD21 LEU A 38 17.913 7.171 -2.467 1.00 0.00 H new ATOM 0 HD22 LEU A 38 17.442 7.129 -0.751 1.00 0.00 H new ATOM 0 HD23 LEU A 38 16.409 6.356 -1.977 1.00 0.00 H new ATOM 571 N ASP A 39 12.053 8.594 -0.374 1.00 0.00 N ATOM 572 CA ASP A 39 10.873 8.963 0.434 1.00 0.00 C ATOM 573 C ASP A 39 9.899 7.782 0.557 1.00 0.00 C ATOM 574 O ASP A 39 9.241 7.621 1.584 1.00 0.00 O ATOM 575 CB ASP A 39 10.142 10.171 -0.207 1.00 0.00 C ATOM 576 CG ASP A 39 10.985 11.449 -0.262 1.00 0.00 C ATOM 577 OD1 ASP A 39 10.989 12.214 0.724 1.00 0.00 O ATOM 578 OD2 ASP A 39 11.649 11.699 -1.293 1.00 0.00 O ATOM 0 H ASP A 39 12.126 9.120 -1.245 1.00 0.00 H new ATOM 0 HA ASP A 39 11.220 9.235 1.431 1.00 0.00 H new ATOM 0 HB2 ASP A 39 9.838 9.904 -1.219 1.00 0.00 H new ATOM 0 HB3 ASP A 39 9.231 10.372 0.356 1.00 0.00 H new ATOM 583 N PHE A 40 9.830 6.961 -0.504 1.00 0.00 N ATOM 584 CA PHE A 40 8.937 5.790 -0.550 1.00 0.00 C ATOM 585 C PHE A 40 9.452 4.665 0.383 1.00 0.00 C ATOM 586 O PHE A 40 8.656 3.871 0.894 1.00 0.00 O ATOM 587 CB PHE A 40 8.774 5.287 -2.009 1.00 0.00 C ATOM 588 CG PHE A 40 7.737 4.177 -2.157 1.00 0.00 C ATOM 589 CD1 PHE A 40 6.402 4.407 -1.824 1.00 0.00 C ATOM 590 CD2 PHE A 40 8.091 2.903 -2.592 1.00 0.00 C ATOM 591 CE1 PHE A 40 5.458 3.403 -1.932 1.00 0.00 C ATOM 592 CE2 PHE A 40 7.144 1.902 -2.706 1.00 0.00 C ATOM 593 CZ PHE A 40 5.830 2.151 -2.371 1.00 0.00 C ATOM 0 H PHE A 40 10.387 7.088 -1.349 1.00 0.00 H new ATOM 0 HA PHE A 40 7.954 6.091 -0.188 1.00 0.00 H new ATOM 0 HB2 PHE A 40 8.490 6.126 -2.645 1.00 0.00 H new ATOM 0 HB3 PHE A 40 9.737 4.925 -2.370 1.00 0.00 H new ATOM 0 HD1 PHE A 40 6.101 5.384 -1.477 1.00 0.00 H new ATOM 0 HD2 PHE A 40 9.120 2.693 -2.844 1.00 0.00 H new ATOM 0 HE1 PHE A 40 4.428 3.600 -1.672 1.00 0.00 H new ATOM 0 HE2 PHE A 40 7.434 0.923 -3.058 1.00 0.00 H new ATOM 0 HZ PHE A 40 5.093 1.366 -2.453 1.00 0.00 H new ATOM 603 N LEU A 41 10.791 4.610 0.599 1.00 0.00 N ATOM 604 CA LEU A 41 11.402 3.714 1.615 1.00 0.00 C ATOM 605 C LEU A 41 10.875 4.080 3.023 1.00 0.00 C ATOM 606 O LEU A 41 10.502 3.198 3.802 1.00 0.00 O ATOM 607 CB LEU A 41 12.950 3.818 1.597 1.00 0.00 C ATOM 608 CG LEU A 41 13.669 3.341 0.297 1.00 0.00 C ATOM 609 CD1 LEU A 41 15.167 3.716 0.320 1.00 0.00 C ATOM 610 CD2 LEU A 41 13.483 1.823 0.081 1.00 0.00 C ATOM 0 H LEU A 41 11.467 5.174 0.084 1.00 0.00 H new ATOM 0 HA LEU A 41 11.124 2.688 1.372 1.00 0.00 H new ATOM 0 HB2 LEU A 41 13.223 4.858 1.775 1.00 0.00 H new ATOM 0 HB3 LEU A 41 13.340 3.238 2.434 1.00 0.00 H new ATOM 0 HG LEU A 41 13.207 3.857 -0.545 1.00 0.00 H new ATOM 0 HD11 LEU A 41 15.643 3.371 -0.598 1.00 0.00 H new ATOM 0 HD12 LEU A 41 15.270 4.798 0.398 1.00 0.00 H new ATOM 0 HD13 LEU A 41 15.647 3.243 1.177 1.00 0.00 H new ATOM 0 HD21 LEU A 41 13.995 1.520 -0.832 1.00 0.00 H new ATOM 0 HD22 LEU A 41 13.902 1.281 0.929 1.00 0.00 H new ATOM 0 HD23 LEU A 41 12.421 1.595 -0.006 1.00 0.00 H new ATOM 622 N ASP A 42 10.841 5.404 3.305 1.00 0.00 N ATOM 623 CA ASP A 42 10.320 5.974 4.576 1.00 0.00 C ATOM 624 C ASP A 42 8.830 5.653 4.763 1.00 0.00 C ATOM 625 O ASP A 42 8.401 5.315 5.875 1.00 0.00 O ATOM 626 CB ASP A 42 10.534 7.519 4.627 1.00 0.00 C ATOM 627 CG ASP A 42 12.018 7.916 4.741 1.00 0.00 C ATOM 628 OD1 ASP A 42 12.704 8.028 3.699 1.00 0.00 O ATOM 629 OD2 ASP A 42 12.506 8.112 5.877 1.00 0.00 O ATOM 0 H ASP A 42 11.176 6.114 2.654 1.00 0.00 H new ATOM 0 HA ASP A 42 10.881 5.512 5.389 1.00 0.00 H new ATOM 0 HB2 ASP A 42 10.111 7.969 3.729 1.00 0.00 H new ATOM 0 HB3 ASP A 42 9.987 7.928 5.477 1.00 0.00 H new ATOM 634 N ILE A 43 8.048 5.752 3.668 1.00 0.00 N ATOM 635 CA ILE A 43 6.593 5.456 3.694 1.00 0.00 C ATOM 636 C ILE A 43 6.348 3.972 3.991 1.00 0.00 C ATOM 637 O ILE A 43 5.508 3.621 4.817 1.00 0.00 O ATOM 638 CB ILE A 43 5.883 5.810 2.337 1.00 0.00 C ATOM 639 CG1 ILE A 43 6.023 7.325 2.011 1.00 0.00 C ATOM 640 CG2 ILE A 43 4.388 5.387 2.359 1.00 0.00 C ATOM 641 CD1 ILE A 43 5.360 7.740 0.712 1.00 0.00 C ATOM 0 H ILE A 43 8.397 6.035 2.752 1.00 0.00 H new ATOM 0 HA ILE A 43 6.171 6.079 4.482 1.00 0.00 H new ATOM 0 HB ILE A 43 6.380 5.247 1.547 1.00 0.00 H new ATOM 0 HG12 ILE A 43 5.592 7.903 2.828 1.00 0.00 H new ATOM 0 HG13 ILE A 43 7.082 7.580 1.964 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.923 5.644 1.407 1.00 0.00 H new ATOM 0 HG22 ILE A 43 4.317 4.311 2.519 1.00 0.00 H new ATOM 0 HG23 ILE A 43 3.874 5.908 3.167 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.502 8.809 0.556 1.00 0.00 H new ATOM 0 HD12 ILE A 43 5.807 7.190 -0.116 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.294 7.519 0.761 1.00 0.00 H new ATOM 653 N ALA A 44 7.118 3.111 3.308 1.00 0.00 N ATOM 654 CA ALA A 44 6.956 1.654 3.384 1.00 0.00 C ATOM 655 C ALA A 44 7.405 1.139 4.757 1.00 0.00 C ATOM 656 O ALA A 44 6.854 0.167 5.266 1.00 0.00 O ATOM 657 CB ALA A 44 7.732 0.985 2.250 1.00 0.00 C ATOM 0 H ALA A 44 7.871 3.408 2.687 1.00 0.00 H new ATOM 0 HA ALA A 44 5.902 1.401 3.267 1.00 0.00 H new ATOM 0 HB1 ALA A 44 7.608 -0.096 2.312 1.00 0.00 H new ATOM 0 HB2 ALA A 44 7.353 1.339 1.291 1.00 0.00 H new ATOM 0 HB3 ALA A 44 8.790 1.234 2.336 1.00 0.00 H new ATOM 663 N PHE A 45 8.411 1.815 5.336 1.00 0.00 N ATOM 664 CA PHE A 45 8.883 1.557 6.707 1.00 0.00 C ATOM 665 C PHE A 45 7.794 1.937 7.734 1.00 0.00 C ATOM 666 O PHE A 45 7.609 1.258 8.740 1.00 0.00 O ATOM 667 CB PHE A 45 10.199 2.347 6.954 1.00 0.00 C ATOM 668 CG PHE A 45 11.051 1.847 8.118 1.00 0.00 C ATOM 669 CD1 PHE A 45 11.514 0.530 8.144 1.00 0.00 C ATOM 670 CD2 PHE A 45 11.421 2.693 9.165 1.00 0.00 C ATOM 671 CE1 PHE A 45 12.317 0.081 9.172 1.00 0.00 C ATOM 672 CE2 PHE A 45 12.223 2.239 10.195 1.00 0.00 C ATOM 673 CZ PHE A 45 12.671 0.933 10.200 1.00 0.00 C ATOM 0 H PHE A 45 8.923 2.560 4.864 1.00 0.00 H new ATOM 0 HA PHE A 45 9.088 0.493 6.829 1.00 0.00 H new ATOM 0 HB2 PHE A 45 10.800 2.314 6.045 1.00 0.00 H new ATOM 0 HB3 PHE A 45 9.948 3.393 7.132 1.00 0.00 H new ATOM 0 HD1 PHE A 45 11.240 -0.147 7.348 1.00 0.00 H new ATOM 0 HD2 PHE A 45 11.076 3.716 9.170 1.00 0.00 H new ATOM 0 HE1 PHE A 45 12.670 -0.940 9.173 1.00 0.00 H new ATOM 0 HE2 PHE A 45 12.500 2.907 10.997 1.00 0.00 H new ATOM 0 HZ PHE A 45 13.297 0.578 11.006 1.00 0.00 H new ATOM 683 N ALA A 46 7.054 3.024 7.443 1.00 0.00 N ATOM 684 CA ALA A 46 5.889 3.444 8.253 1.00 0.00 C ATOM 685 C ALA A 46 4.743 2.408 8.139 1.00 0.00 C ATOM 686 O ALA A 46 4.009 2.168 9.104 1.00 0.00 O ATOM 687 CB ALA A 46 5.415 4.842 7.826 1.00 0.00 C ATOM 0 H ALA A 46 7.243 3.633 6.647 1.00 0.00 H new ATOM 0 HA ALA A 46 6.193 3.494 9.299 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.558 5.136 8.431 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.223 5.559 7.969 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.128 4.823 6.775 1.00 0.00 H new ATOM 693 N ILE A 47 4.621 1.797 6.947 1.00 0.00 N ATOM 694 CA ILE A 47 3.663 0.701 6.680 1.00 0.00 C ATOM 695 C ILE A 47 4.044 -0.560 7.497 1.00 0.00 C ATOM 696 O ILE A 47 3.160 -1.266 8.012 1.00 0.00 O ATOM 697 CB ILE A 47 3.626 0.359 5.138 1.00 0.00 C ATOM 698 CG1 ILE A 47 3.051 1.559 4.311 1.00 0.00 C ATOM 699 CG2 ILE A 47 2.838 -0.938 4.849 1.00 0.00 C ATOM 700 CD1 ILE A 47 3.077 1.380 2.800 1.00 0.00 C ATOM 0 H ILE A 47 5.186 2.049 6.136 1.00 0.00 H new ATOM 0 HA ILE A 47 2.670 1.031 6.986 1.00 0.00 H new ATOM 0 HB ILE A 47 4.655 0.187 4.823 1.00 0.00 H new ATOM 0 HG12 ILE A 47 2.021 1.732 4.622 1.00 0.00 H new ATOM 0 HG13 ILE A 47 3.616 2.456 4.564 1.00 0.00 H new ATOM 0 HG21 ILE A 47 2.839 -1.133 3.777 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.307 -1.772 5.370 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.811 -0.825 5.196 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.658 2.265 2.321 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.106 1.241 2.468 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.486 0.506 2.527 1.00 0.00 H new ATOM 712 N ASP A 48 5.365 -0.816 7.607 1.00 0.00 N ATOM 713 CA ASP A 48 5.918 -1.960 8.373 1.00 0.00 C ATOM 714 C ASP A 48 5.481 -1.912 9.835 1.00 0.00 C ATOM 715 O ASP A 48 5.095 -2.928 10.406 1.00 0.00 O ATOM 716 CB ASP A 48 7.473 -1.995 8.311 1.00 0.00 C ATOM 717 CG ASP A 48 8.058 -2.235 6.911 1.00 0.00 C ATOM 718 OD1 ASP A 48 7.320 -2.644 5.991 1.00 0.00 O ATOM 719 OD2 ASP A 48 9.282 -2.026 6.735 1.00 0.00 O ATOM 0 H ASP A 48 6.081 -0.237 7.168 1.00 0.00 H new ATOM 0 HA ASP A 48 5.524 -2.864 7.908 1.00 0.00 H new ATOM 0 HB2 ASP A 48 7.859 -1.050 8.693 1.00 0.00 H new ATOM 0 HB3 ASP A 48 7.831 -2.779 8.978 1.00 0.00 H new ATOM 724 N LYS A 49 5.562 -0.714 10.430 1.00 0.00 N ATOM 725 CA LYS A 49 5.137 -0.487 11.830 1.00 0.00 C ATOM 726 C LYS A 49 3.607 -0.564 11.948 1.00 0.00 C ATOM 727 O LYS A 49 3.081 -1.201 12.876 1.00 0.00 O ATOM 728 CB LYS A 49 5.679 0.871 12.386 1.00 0.00 C ATOM 729 CG LYS A 49 7.167 0.840 12.836 1.00 0.00 C ATOM 730 CD LYS A 49 8.154 0.534 11.687 1.00 0.00 C ATOM 731 CE LYS A 49 9.606 0.407 12.159 1.00 0.00 C ATOM 732 NZ LYS A 49 10.085 1.628 12.854 1.00 0.00 N ATOM 0 H LYS A 49 5.919 0.121 9.966 1.00 0.00 H new ATOM 0 HA LYS A 49 5.569 -1.279 12.442 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.561 1.635 11.618 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.063 1.173 13.233 1.00 0.00 H new ATOM 0 HG2 LYS A 49 7.424 1.802 13.278 1.00 0.00 H new ATOM 0 HG3 LYS A 49 7.286 0.088 13.616 1.00 0.00 H new ATOM 0 HD2 LYS A 49 7.855 -0.393 11.197 1.00 0.00 H new ATOM 0 HD3 LYS A 49 8.089 1.325 10.940 1.00 0.00 H new ATOM 0 HE2 LYS A 49 9.693 -0.447 12.830 1.00 0.00 H new ATOM 0 HE3 LYS A 49 10.248 0.205 11.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 10.988 1.932 12.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 9.382 2.387 12.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 10.221 1.422 13.864 1.00 0.00 H new ATOM 746 N ALA A 50 2.910 0.083 10.992 1.00 0.00 N ATOM 747 CA ALA A 50 1.430 0.147 10.952 1.00 0.00 C ATOM 748 C ALA A 50 0.768 -1.248 11.007 1.00 0.00 C ATOM 749 O ALA A 50 -0.057 -1.526 11.888 1.00 0.00 O ATOM 750 CB ALA A 50 0.975 0.913 9.691 1.00 0.00 C ATOM 0 H ALA A 50 3.358 0.579 10.221 1.00 0.00 H new ATOM 0 HA ALA A 50 1.104 0.680 11.845 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.114 0.958 9.666 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.379 1.925 9.714 1.00 0.00 H new ATOM 0 HB3 ALA A 50 1.338 0.398 8.802 1.00 0.00 H new ATOM 756 N PHE A 51 1.154 -2.115 10.061 1.00 0.00 N ATOM 757 CA PHE A 51 0.594 -3.476 9.930 1.00 0.00 C ATOM 758 C PHE A 51 1.392 -4.515 10.745 1.00 0.00 C ATOM 759 O PHE A 51 0.931 -5.656 10.918 1.00 0.00 O ATOM 760 CB PHE A 51 0.547 -3.898 8.443 1.00 0.00 C ATOM 761 CG PHE A 51 -0.384 -3.065 7.566 1.00 0.00 C ATOM 762 CD1 PHE A 51 0.081 -1.935 6.903 1.00 0.00 C ATOM 763 CD2 PHE A 51 -1.716 -3.437 7.373 1.00 0.00 C ATOM 764 CE1 PHE A 51 -0.751 -1.203 6.078 1.00 0.00 C ATOM 765 CE2 PHE A 51 -2.544 -2.709 6.543 1.00 0.00 C ATOM 766 CZ PHE A 51 -2.057 -1.595 5.895 1.00 0.00 C ATOM 0 H PHE A 51 1.864 -1.896 9.362 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.418 -3.447 10.333 1.00 0.00 H new ATOM 0 HB2 PHE A 51 1.555 -3.842 8.033 1.00 0.00 H new ATOM 0 HB3 PHE A 51 0.238 -4.942 8.387 1.00 0.00 H new ATOM 0 HD1 PHE A 51 1.107 -1.625 7.035 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -2.104 -4.308 7.881 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -0.376 -0.323 5.577 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -3.571 -3.012 6.402 1.00 0.00 H new ATOM 0 HZ PHE A 51 -2.703 -1.028 5.241 1.00 0.00 H new ATOM 776 N GLY A 52 2.577 -4.120 11.257 1.00 0.00 N ATOM 777 CA GLY A 52 3.482 -5.061 11.933 1.00 0.00 C ATOM 778 C GLY A 52 4.125 -6.052 10.957 1.00 0.00 C ATOM 779 O GLY A 52 4.441 -7.187 11.326 1.00 0.00 O ATOM 0 H GLY A 52 2.924 -3.162 11.213 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.264 -4.503 12.449 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.928 -5.611 12.694 1.00 0.00 H new ATOM 783 N ILE A 53 4.299 -5.611 9.703 1.00 0.00 N ATOM 784 CA ILE A 53 4.838 -6.435 8.604 1.00 0.00 C ATOM 785 C ILE A 53 6.250 -5.954 8.235 1.00 0.00 C ATOM 786 O ILE A 53 6.814 -5.097 8.913 1.00 0.00 O ATOM 787 CB ILE A 53 3.918 -6.384 7.325 1.00 0.00 C ATOM 788 CG1 ILE A 53 3.798 -4.915 6.786 1.00 0.00 C ATOM 789 CG2 ILE A 53 2.523 -7.004 7.609 1.00 0.00 C ATOM 790 CD1 ILE A 53 3.177 -4.805 5.418 1.00 0.00 C ATOM 0 H ILE A 53 4.067 -4.660 9.417 1.00 0.00 H new ATOM 0 HA ILE A 53 4.872 -7.467 8.954 1.00 0.00 H new ATOM 0 HB ILE A 53 4.386 -6.987 6.547 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.205 -4.330 7.489 1.00 0.00 H new ATOM 0 HG13 ILE A 53 4.792 -4.468 6.758 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.912 -6.954 6.708 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.642 -8.045 7.909 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.034 -6.449 8.410 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.132 -3.757 5.122 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.780 -5.360 4.699 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.169 -5.219 5.442 1.00 0.00 H new ATOM 802 N LYS A 54 6.829 -6.567 7.200 1.00 0.00 N ATOM 803 CA LYS A 54 8.094 -6.131 6.615 1.00 0.00 C ATOM 804 C LYS A 54 7.995 -6.239 5.087 1.00 0.00 C ATOM 805 O LYS A 54 7.906 -7.345 4.551 1.00 0.00 O ATOM 806 CB LYS A 54 9.263 -6.994 7.152 1.00 0.00 C ATOM 807 CG LYS A 54 10.639 -6.633 6.551 1.00 0.00 C ATOM 808 CD LYS A 54 11.757 -7.605 6.980 1.00 0.00 C ATOM 809 CE LYS A 54 13.096 -7.295 6.297 1.00 0.00 C ATOM 810 NZ LYS A 54 14.149 -8.288 6.629 1.00 0.00 N ATOM 0 H LYS A 54 6.428 -7.386 6.743 1.00 0.00 H new ATOM 0 HA LYS A 54 8.291 -5.095 6.893 1.00 0.00 H new ATOM 0 HB2 LYS A 54 9.312 -6.887 8.236 1.00 0.00 H new ATOM 0 HB3 LYS A 54 9.052 -8.043 6.945 1.00 0.00 H new ATOM 0 HG2 LYS A 54 10.565 -6.630 5.464 1.00 0.00 H new ATOM 0 HG3 LYS A 54 10.908 -5.621 6.855 1.00 0.00 H new ATOM 0 HD2 LYS A 54 11.884 -7.554 8.061 1.00 0.00 H new ATOM 0 HD3 LYS A 54 11.458 -8.626 6.742 1.00 0.00 H new ATOM 0 HE2 LYS A 54 12.952 -7.271 5.217 1.00 0.00 H new ATOM 0 HE3 LYS A 54 13.431 -6.302 6.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 15.032 -8.033 6.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 14.309 -8.294 7.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 13.844 -9.233 6.320 1.00 0.00 H new ATOM 824 N LEU A 55 7.965 -5.092 4.405 1.00 0.00 N ATOM 825 CA LEU A 55 8.065 -5.024 2.944 1.00 0.00 C ATOM 826 C LEU A 55 9.556 -5.065 2.555 1.00 0.00 C ATOM 827 O LEU A 55 10.312 -4.214 3.025 1.00 0.00 O ATOM 828 CB LEU A 55 7.408 -3.721 2.413 1.00 0.00 C ATOM 829 CG LEU A 55 5.899 -3.531 2.766 1.00 0.00 C ATOM 830 CD1 LEU A 55 5.371 -2.157 2.285 1.00 0.00 C ATOM 831 CD2 LEU A 55 5.044 -4.691 2.195 1.00 0.00 C ATOM 0 H LEU A 55 7.870 -4.180 4.852 1.00 0.00 H new ATOM 0 HA LEU A 55 7.540 -5.870 2.500 1.00 0.00 H new ATOM 0 HB2 LEU A 55 7.964 -2.870 2.806 1.00 0.00 H new ATOM 0 HB3 LEU A 55 7.514 -3.698 1.328 1.00 0.00 H new ATOM 0 HG LEU A 55 5.810 -3.552 3.852 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.318 -2.060 2.548 1.00 0.00 H new ATOM 0 HD12 LEU A 55 5.940 -1.360 2.765 1.00 0.00 H new ATOM 0 HD13 LEU A 55 5.484 -2.082 1.203 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.997 -4.534 2.455 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.148 -4.720 1.110 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.385 -5.636 2.617 1.00 0.00 H new ATOM 843 N PRO A 56 10.022 -6.077 1.757 1.00 0.00 N ATOM 844 CA PRO A 56 11.400 -6.092 1.188 1.00 0.00 C ATOM 845 C PRO A 56 11.600 -4.993 0.117 1.00 0.00 C ATOM 846 O PRO A 56 12.001 -5.283 -1.007 1.00 0.00 O ATOM 847 CB PRO A 56 11.531 -7.534 0.593 1.00 0.00 C ATOM 848 CG PRO A 56 10.411 -8.310 1.233 1.00 0.00 C ATOM 849 CD PRO A 56 9.291 -7.318 1.403 1.00 0.00 C ATOM 0 HA PRO A 56 12.167 -5.875 1.932 1.00 0.00 H new ATOM 0 HB2 PRO A 56 11.438 -7.525 -0.493 1.00 0.00 H new ATOM 0 HB3 PRO A 56 12.501 -7.973 0.826 1.00 0.00 H new ATOM 0 HG2 PRO A 56 10.104 -9.147 0.606 1.00 0.00 H new ATOM 0 HG3 PRO A 56 10.718 -8.726 2.193 1.00 0.00 H new ATOM 0 HD2 PRO A 56 8.709 -7.201 0.489 1.00 0.00 H new ATOM 0 HD3 PRO A 56 8.596 -7.619 2.187 1.00 0.00 H new ATOM 857 N LEU A 57 11.395 -3.719 0.518 1.00 0.00 N ATOM 858 CA LEU A 57 11.328 -2.565 -0.407 1.00 0.00 C ATOM 859 C LEU A 57 12.699 -2.336 -1.072 1.00 0.00 C ATOM 860 O LEU A 57 12.759 -2.001 -2.254 1.00 0.00 O ATOM 861 CB LEU A 57 10.850 -1.276 0.353 1.00 0.00 C ATOM 862 CG LEU A 57 9.935 -0.264 -0.430 1.00 0.00 C ATOM 863 CD1 LEU A 57 10.578 0.273 -1.726 1.00 0.00 C ATOM 864 CD2 LEU A 57 8.556 -0.886 -0.708 1.00 0.00 C ATOM 0 H LEU A 57 11.271 -3.461 1.497 1.00 0.00 H new ATOM 0 HA LEU A 57 10.600 -2.784 -1.188 1.00 0.00 H new ATOM 0 HB2 LEU A 57 10.312 -1.593 1.246 1.00 0.00 H new ATOM 0 HB3 LEU A 57 11.736 -0.737 0.689 1.00 0.00 H new ATOM 0 HG LEU A 57 9.809 0.603 0.218 1.00 0.00 H new ATOM 0 HD11 LEU A 57 9.891 0.965 -2.213 1.00 0.00 H new ATOM 0 HD12 LEU A 57 11.505 0.792 -1.484 1.00 0.00 H new ATOM 0 HD13 LEU A 57 10.793 -0.558 -2.397 1.00 0.00 H new ATOM 0 HD21 LEU A 57 7.937 -0.171 -1.250 1.00 0.00 H new ATOM 0 HD22 LEU A 57 8.678 -1.788 -1.307 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.074 -1.140 0.236 1.00 0.00 H new ATOM 876 N GLU A 58 13.793 -2.535 -0.297 1.00 0.00 N ATOM 877 CA GLU A 58 15.173 -2.443 -0.824 1.00 0.00 C ATOM 878 C GLU A 58 15.400 -3.449 -1.975 1.00 0.00 C ATOM 879 O GLU A 58 16.099 -3.148 -2.953 1.00 0.00 O ATOM 880 CB GLU A 58 16.240 -2.621 0.320 1.00 0.00 C ATOM 881 CG GLU A 58 15.957 -3.709 1.404 1.00 0.00 C ATOM 882 CD GLU A 58 15.893 -5.166 0.894 1.00 0.00 C ATOM 883 OE1 GLU A 58 16.916 -5.688 0.395 1.00 0.00 O ATOM 884 OE2 GLU A 58 14.806 -5.779 0.947 1.00 0.00 O ATOM 0 H GLU A 58 13.744 -2.761 0.697 1.00 0.00 H new ATOM 0 HA GLU A 58 15.304 -1.441 -1.234 1.00 0.00 H new ATOM 0 HB2 GLU A 58 17.198 -2.851 -0.146 1.00 0.00 H new ATOM 0 HB3 GLU A 58 16.354 -1.663 0.826 1.00 0.00 H new ATOM 0 HG2 GLU A 58 16.733 -3.645 2.167 1.00 0.00 H new ATOM 0 HG3 GLU A 58 15.011 -3.472 1.891 1.00 0.00 H new ATOM 891 N LYS A 59 14.769 -4.630 -1.855 1.00 0.00 N ATOM 892 CA LYS A 59 14.904 -5.719 -2.833 1.00 0.00 C ATOM 893 C LYS A 59 13.967 -5.496 -4.023 1.00 0.00 C ATOM 894 O LYS A 59 14.277 -5.907 -5.119 1.00 0.00 O ATOM 895 CB LYS A 59 14.639 -7.086 -2.164 1.00 0.00 C ATOM 896 CG LYS A 59 14.914 -8.327 -3.049 1.00 0.00 C ATOM 897 CD LYS A 59 14.896 -9.654 -2.244 1.00 0.00 C ATOM 898 CE LYS A 59 16.170 -9.893 -1.397 1.00 0.00 C ATOM 899 NZ LYS A 59 16.385 -8.883 -0.323 1.00 0.00 N ATOM 0 H LYS A 59 14.151 -4.855 -1.076 1.00 0.00 H new ATOM 0 HA LYS A 59 15.927 -5.721 -3.208 1.00 0.00 H new ATOM 0 HB2 LYS A 59 15.255 -7.157 -1.267 1.00 0.00 H new ATOM 0 HB3 LYS A 59 13.599 -7.116 -1.840 1.00 0.00 H new ATOM 0 HG2 LYS A 59 14.166 -8.377 -3.840 1.00 0.00 H new ATOM 0 HG3 LYS A 59 15.884 -8.214 -3.534 1.00 0.00 H new ATOM 0 HD2 LYS A 59 14.028 -9.655 -1.585 1.00 0.00 H new ATOM 0 HD3 LYS A 59 14.771 -10.486 -2.937 1.00 0.00 H new ATOM 0 HE2 LYS A 59 16.112 -10.883 -0.944 1.00 0.00 H new ATOM 0 HE3 LYS A 59 17.037 -9.896 -2.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 16.988 -9.290 0.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 16.849 -8.043 -0.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 15.468 -8.610 0.086 1.00 0.00 H new ATOM 913 N TRP A 60 12.833 -4.821 -3.784 1.00 0.00 N ATOM 914 CA TRP A 60 11.871 -4.446 -4.843 1.00 0.00 C ATOM 915 C TRP A 60 12.487 -3.363 -5.744 1.00 0.00 C ATOM 916 O TRP A 60 12.356 -3.398 -6.965 1.00 0.00 O ATOM 917 CB TRP A 60 10.545 -3.948 -4.214 1.00 0.00 C ATOM 918 CG TRP A 60 9.798 -4.994 -3.409 1.00 0.00 C ATOM 919 CD1 TRP A 60 10.126 -6.312 -3.223 1.00 0.00 C ATOM 920 CD2 TRP A 60 8.566 -4.802 -2.711 1.00 0.00 C ATOM 921 NE1 TRP A 60 9.204 -6.922 -2.420 1.00 0.00 N ATOM 922 CE2 TRP A 60 8.230 -6.022 -2.104 1.00 0.00 C ATOM 923 CE3 TRP A 60 7.724 -3.710 -2.528 1.00 0.00 C ATOM 924 CZ2 TRP A 60 7.089 -6.178 -1.336 1.00 0.00 C ATOM 925 CZ3 TRP A 60 6.586 -3.869 -1.766 1.00 0.00 C ATOM 926 CH2 TRP A 60 6.282 -5.091 -1.179 1.00 0.00 C ATOM 0 H TRP A 60 12.552 -4.517 -2.852 1.00 0.00 H new ATOM 0 HA TRP A 60 11.649 -5.323 -5.451 1.00 0.00 H new ATOM 0 HB2 TRP A 60 10.761 -3.097 -3.568 1.00 0.00 H new ATOM 0 HB3 TRP A 60 9.893 -3.587 -5.010 1.00 0.00 H new ATOM 0 HD1 TRP A 60 10.990 -6.799 -3.650 1.00 0.00 H new ATOM 0 HE1 TRP A 60 9.239 -7.892 -2.108 1.00 0.00 H new ATOM 0 HE3 TRP A 60 7.957 -2.755 -2.975 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 6.847 -7.126 -0.878 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 5.920 -3.030 -1.623 1.00 0.00 H new ATOM 0 HH2 TRP A 60 5.385 -5.182 -0.584 1.00 0.00 H new ATOM 937 N THR A 61 13.184 -2.420 -5.094 1.00 0.00 N ATOM 938 CA THR A 61 13.968 -1.365 -5.754 1.00 0.00 C ATOM 939 C THR A 61 15.139 -1.982 -6.558 1.00 0.00 C ATOM 940 O THR A 61 15.478 -1.514 -7.650 1.00 0.00 O ATOM 941 CB THR A 61 14.503 -0.341 -4.686 1.00 0.00 C ATOM 942 OG1 THR A 61 13.398 0.218 -3.956 1.00 0.00 O ATOM 943 CG2 THR A 61 15.323 0.805 -5.310 1.00 0.00 C ATOM 0 H THR A 61 13.220 -2.368 -4.076 1.00 0.00 H new ATOM 0 HA THR A 61 13.322 -0.832 -6.452 1.00 0.00 H new ATOM 0 HB THR A 61 15.167 -0.896 -4.023 1.00 0.00 H new ATOM 0 HG1 THR A 61 13.060 -0.443 -3.316 1.00 0.00 H new ATOM 0 HG21 THR A 61 15.664 1.478 -4.524 1.00 0.00 H new ATOM 0 HG22 THR A 61 16.185 0.392 -5.834 1.00 0.00 H new ATOM 0 HG23 THR A 61 14.700 1.356 -6.014 1.00 0.00 H new ATOM 951 N GLN A 62 15.701 -3.083 -6.014 1.00 0.00 N ATOM 952 CA GLN A 62 16.792 -3.852 -6.633 1.00 0.00 C ATOM 953 C GLN A 62 16.280 -4.589 -7.893 1.00 0.00 C ATOM 954 O GLN A 62 16.911 -4.522 -8.942 1.00 0.00 O ATOM 955 CB GLN A 62 17.369 -4.861 -5.589 1.00 0.00 C ATOM 956 CG GLN A 62 18.428 -5.856 -6.109 1.00 0.00 C ATOM 957 CD GLN A 62 19.659 -5.170 -6.704 1.00 0.00 C ATOM 958 OE1 GLN A 62 20.597 -4.834 -5.988 1.00 0.00 O ATOM 959 NE2 GLN A 62 19.680 -4.984 -8.020 1.00 0.00 N ATOM 0 H GLN A 62 15.401 -3.465 -5.117 1.00 0.00 H new ATOM 0 HA GLN A 62 17.587 -3.174 -6.943 1.00 0.00 H new ATOM 0 HB2 GLN A 62 17.808 -4.291 -4.770 1.00 0.00 H new ATOM 0 HB3 GLN A 62 16.540 -5.432 -5.171 1.00 0.00 H new ATOM 0 HG2 GLN A 62 18.741 -6.504 -5.290 1.00 0.00 H new ATOM 0 HG3 GLN A 62 17.975 -6.496 -6.866 1.00 0.00 H new ATOM 0 HE21 GLN A 62 18.885 -5.274 -8.589 1.00 0.00 H new ATOM 0 HE22 GLN A 62 20.492 -4.551 -8.461 1.00 0.00 H new ATOM 968 N GLU A 63 15.131 -5.272 -7.760 1.00 0.00 N ATOM 969 CA GLU A 63 14.508 -6.080 -8.833 1.00 0.00 C ATOM 970 C GLU A 63 14.148 -5.219 -10.050 1.00 0.00 C ATOM 971 O GLU A 63 14.482 -5.553 -11.184 1.00 0.00 O ATOM 972 CB GLU A 63 13.233 -6.803 -8.303 1.00 0.00 C ATOM 973 CG GLU A 63 13.513 -7.943 -7.311 1.00 0.00 C ATOM 974 CD GLU A 63 12.222 -8.537 -6.725 1.00 0.00 C ATOM 975 OE1 GLU A 63 11.648 -7.940 -5.790 1.00 0.00 O ATOM 976 OE2 GLU A 63 11.758 -9.591 -7.218 1.00 0.00 O ATOM 0 H GLU A 63 14.597 -5.281 -6.891 1.00 0.00 H new ATOM 0 HA GLU A 63 15.240 -6.825 -9.147 1.00 0.00 H new ATOM 0 HB2 GLU A 63 12.588 -6.068 -7.820 1.00 0.00 H new ATOM 0 HB3 GLU A 63 12.679 -7.205 -9.152 1.00 0.00 H new ATOM 0 HG2 GLU A 63 14.076 -8.729 -7.814 1.00 0.00 H new ATOM 0 HG3 GLU A 63 14.139 -7.571 -6.500 1.00 0.00 H new ATOM 983 N VAL A 64 13.475 -4.104 -9.786 1.00 0.00 N ATOM 984 CA VAL A 64 13.044 -3.159 -10.821 1.00 0.00 C ATOM 985 C VAL A 64 14.255 -2.506 -11.534 1.00 0.00 C ATOM 986 O VAL A 64 14.232 -2.301 -12.758 1.00 0.00 O ATOM 987 CB VAL A 64 12.060 -2.101 -10.205 1.00 0.00 C ATOM 988 CG1 VAL A 64 11.719 -0.970 -11.189 1.00 0.00 C ATOM 989 CG2 VAL A 64 10.763 -2.800 -9.714 1.00 0.00 C ATOM 0 H VAL A 64 13.209 -3.825 -8.842 1.00 0.00 H new ATOM 0 HA VAL A 64 12.501 -3.704 -11.593 1.00 0.00 H new ATOM 0 HB VAL A 64 12.569 -1.642 -9.358 1.00 0.00 H new ATOM 0 HG11 VAL A 64 11.036 -0.267 -10.713 1.00 0.00 H new ATOM 0 HG12 VAL A 64 12.633 -0.450 -11.476 1.00 0.00 H new ATOM 0 HG13 VAL A 64 11.246 -1.390 -12.077 1.00 0.00 H new ATOM 0 HG21 VAL A 64 10.088 -2.057 -9.289 1.00 0.00 H new ATOM 0 HG22 VAL A 64 10.276 -3.294 -10.554 1.00 0.00 H new ATOM 0 HG23 VAL A 64 11.014 -3.540 -8.954 1.00 0.00 H new ATOM 999 N ASN A 65 15.311 -2.219 -10.757 1.00 0.00 N ATOM 1000 CA ASN A 65 16.613 -1.750 -11.288 1.00 0.00 C ATOM 1001 C ASN A 65 17.282 -2.838 -12.171 1.00 0.00 C ATOM 1002 O ASN A 65 17.840 -2.532 -13.231 1.00 0.00 O ATOM 1003 CB ASN A 65 17.542 -1.367 -10.093 1.00 0.00 C ATOM 1004 CG ASN A 65 18.830 -0.601 -10.469 1.00 0.00 C ATOM 1005 OD1 ASN A 65 19.401 -0.760 -11.548 1.00 0.00 O ATOM 1006 ND2 ASN A 65 19.302 0.240 -9.557 1.00 0.00 N ATOM 0 H ASN A 65 15.292 -2.304 -9.741 1.00 0.00 H new ATOM 0 HA ASN A 65 16.446 -0.875 -11.917 1.00 0.00 H new ATOM 0 HB2 ASN A 65 16.970 -0.759 -9.392 1.00 0.00 H new ATOM 0 HB3 ASN A 65 17.823 -2.280 -9.568 1.00 0.00 H new ATOM 0 HD21 ASN A 65 20.153 0.770 -9.744 1.00 0.00 H new ATOM 0 HD22 ASN A 65 18.813 0.357 -8.669 1.00 0.00 H new ATOM 1013 N ASP A 66 17.183 -4.109 -11.734 1.00 0.00 N ATOM 1014 CA ASP A 66 17.883 -5.259 -12.354 1.00 0.00 C ATOM 1015 C ASP A 66 17.071 -5.880 -13.527 1.00 0.00 C ATOM 1016 O ASP A 66 17.510 -6.852 -14.164 1.00 0.00 O ATOM 1017 CB ASP A 66 18.144 -6.315 -11.239 1.00 0.00 C ATOM 1018 CG ASP A 66 18.993 -7.517 -11.686 1.00 0.00 C ATOM 1019 OD1 ASP A 66 20.227 -7.371 -11.795 1.00 0.00 O ATOM 1020 OD2 ASP A 66 18.428 -8.605 -11.933 1.00 0.00 O ATOM 0 H ASP A 66 16.610 -4.372 -10.933 1.00 0.00 H new ATOM 0 HA ASP A 66 18.823 -4.916 -12.786 1.00 0.00 H new ATOM 0 HB2 ASP A 66 18.642 -5.826 -10.402 1.00 0.00 H new ATOM 0 HB3 ASP A 66 17.185 -6.680 -10.870 1.00 0.00 H new ATOM 1025 N GLY A 67 15.902 -5.287 -13.831 1.00 0.00 N ATOM 1026 CA GLY A 67 14.999 -5.798 -14.875 1.00 0.00 C ATOM 1027 C GLY A 67 14.299 -7.112 -14.528 1.00 0.00 C ATOM 1028 O GLY A 67 13.815 -7.807 -15.424 1.00 0.00 O ATOM 0 H GLY A 67 15.560 -4.447 -13.364 1.00 0.00 H new ATOM 0 HA2 GLY A 67 14.241 -5.042 -15.082 1.00 0.00 H new ATOM 0 HA3 GLY A 67 15.570 -5.938 -15.793 1.00 0.00 H new ATOM 1032 N LYS A 68 14.259 -7.458 -13.233 1.00 0.00 N ATOM 1033 CA LYS A 68 13.428 -8.569 -12.724 1.00 0.00 C ATOM 1034 C LYS A 68 11.940 -8.156 -12.774 1.00 0.00 C ATOM 1035 O LYS A 68 11.049 -8.990 -12.965 1.00 0.00 O ATOM 1036 CB LYS A 68 13.816 -8.923 -11.265 1.00 0.00 C ATOM 1037 CG LYS A 68 15.266 -9.428 -11.017 1.00 0.00 C ATOM 1038 CD LYS A 68 15.488 -10.939 -11.352 1.00 0.00 C ATOM 1039 CE LYS A 68 15.725 -11.223 -12.845 1.00 0.00 C ATOM 1040 NZ LYS A 68 16.989 -10.609 -13.331 1.00 0.00 N ATOM 0 H LYS A 68 14.797 -6.981 -12.509 1.00 0.00 H new ATOM 0 HA LYS A 68 13.595 -9.446 -13.350 1.00 0.00 H new ATOM 0 HB2 LYS A 68 13.657 -8.038 -10.649 1.00 0.00 H new ATOM 0 HB3 LYS A 68 13.126 -9.688 -10.908 1.00 0.00 H new ATOM 0 HG2 LYS A 68 15.954 -8.831 -11.616 1.00 0.00 H new ATOM 0 HG3 LYS A 68 15.523 -9.258 -9.972 1.00 0.00 H new ATOM 0 HD2 LYS A 68 16.343 -11.304 -10.783 1.00 0.00 H new ATOM 0 HD3 LYS A 68 14.618 -11.506 -11.019 1.00 0.00 H new ATOM 0 HE2 LYS A 68 15.758 -12.300 -13.009 1.00 0.00 H new ATOM 0 HE3 LYS A 68 14.887 -10.837 -13.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 16.792 -10.027 -14.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 17.395 -10.011 -12.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 17.665 -11.358 -13.581 1.00 0.00 H new ATOM 1054 N ALA A 69 11.710 -6.841 -12.583 1.00 0.00 N ATOM 1055 CA ALA A 69 10.384 -6.211 -12.631 1.00 0.00 C ATOM 1056 C ALA A 69 10.499 -4.808 -13.263 1.00 0.00 C ATOM 1057 O ALA A 69 11.604 -4.312 -13.490 1.00 0.00 O ATOM 1058 CB ALA A 69 9.783 -6.137 -11.215 1.00 0.00 C ATOM 0 H ALA A 69 12.460 -6.178 -12.387 1.00 0.00 H new ATOM 0 HA ALA A 69 9.716 -6.812 -13.248 1.00 0.00 H new ATOM 0 HB1 ALA A 69 8.800 -5.668 -11.261 1.00 0.00 H new ATOM 0 HB2 ALA A 69 9.687 -7.143 -10.808 1.00 0.00 H new ATOM 0 HB3 ALA A 69 10.437 -5.547 -10.573 1.00 0.00 H new ATOM 1064 N THR A 70 9.344 -4.196 -13.567 1.00 0.00 N ATOM 1065 CA THR A 70 9.243 -2.839 -14.142 1.00 0.00 C ATOM 1066 C THR A 70 8.775 -1.826 -13.063 1.00 0.00 C ATOM 1067 O THR A 70 8.241 -2.240 -12.023 1.00 0.00 O ATOM 1068 CB THR A 70 8.244 -2.870 -15.356 1.00 0.00 C ATOM 1069 OG1 THR A 70 8.609 -3.948 -16.237 1.00 0.00 O ATOM 1070 CG2 THR A 70 8.243 -1.554 -16.159 1.00 0.00 C ATOM 0 H THR A 70 8.436 -4.636 -13.419 1.00 0.00 H new ATOM 0 HA THR A 70 10.223 -2.517 -14.494 1.00 0.00 H new ATOM 0 HB THR A 70 7.243 -3.010 -14.949 1.00 0.00 H new ATOM 0 HG1 THR A 70 7.989 -3.975 -16.996 1.00 0.00 H new ATOM 0 HG21 THR A 70 7.536 -1.632 -16.985 1.00 0.00 H new ATOM 0 HG22 THR A 70 7.951 -0.730 -15.507 1.00 0.00 H new ATOM 0 HG23 THR A 70 9.242 -1.368 -16.554 1.00 0.00 H new ATOM 1078 N THR A 71 9.024 -0.506 -13.300 1.00 0.00 N ATOM 1079 CA THR A 71 8.558 0.601 -12.435 1.00 0.00 C ATOM 1080 C THR A 71 7.011 0.648 -12.399 1.00 0.00 C ATOM 1081 O THR A 71 6.376 1.488 -13.054 1.00 0.00 O ATOM 1082 CB THR A 71 9.139 1.974 -12.949 1.00 0.00 C ATOM 1083 OG1 THR A 71 8.858 2.125 -14.353 1.00 0.00 O ATOM 1084 CG2 THR A 71 10.657 2.092 -12.728 1.00 0.00 C ATOM 0 H THR A 71 9.560 -0.185 -14.107 1.00 0.00 H new ATOM 0 HA THR A 71 8.919 0.426 -11.422 1.00 0.00 H new ATOM 0 HB THR A 71 8.655 2.762 -12.371 1.00 0.00 H new ATOM 0 HG1 THR A 71 7.894 2.036 -14.505 1.00 0.00 H new ATOM 0 HG21 THR A 71 11.005 3.056 -13.100 1.00 0.00 H new ATOM 0 HG22 THR A 71 10.877 2.013 -11.663 1.00 0.00 H new ATOM 0 HG23 THR A 71 11.166 1.291 -13.264 1.00 0.00 H new ATOM 1092 N GLU A 72 6.422 -0.273 -11.615 1.00 0.00 N ATOM 1093 CA GLU A 72 4.977 -0.530 -11.618 1.00 0.00 C ATOM 1094 C GLU A 72 4.643 -1.619 -10.592 1.00 0.00 C ATOM 1095 O GLU A 72 3.957 -1.372 -9.594 1.00 0.00 O ATOM 1096 CB GLU A 72 4.512 -0.995 -13.037 1.00 0.00 C ATOM 1097 CG GLU A 72 2.993 -1.155 -13.214 1.00 0.00 C ATOM 1098 CD GLU A 72 2.626 -1.758 -14.581 1.00 0.00 C ATOM 1099 OE1 GLU A 72 2.545 -1.000 -15.576 1.00 0.00 O ATOM 1100 OE2 GLU A 72 2.452 -2.993 -14.671 1.00 0.00 O ATOM 0 H GLU A 72 6.940 -0.860 -10.961 1.00 0.00 H new ATOM 0 HA GLU A 72 4.457 0.392 -11.357 1.00 0.00 H new ATOM 0 HB2 GLU A 72 4.873 -0.276 -13.773 1.00 0.00 H new ATOM 0 HB3 GLU A 72 4.989 -1.949 -13.263 1.00 0.00 H new ATOM 0 HG2 GLU A 72 2.602 -1.793 -12.421 1.00 0.00 H new ATOM 0 HG3 GLU A 72 2.512 -0.183 -13.107 1.00 0.00 H new ATOM 1107 N GLN A 73 5.220 -2.808 -10.841 1.00 0.00 N ATOM 1108 CA GLN A 73 4.829 -4.073 -10.189 1.00 0.00 C ATOM 1109 C GLN A 73 4.948 -4.048 -8.648 1.00 0.00 C ATOM 1110 O GLN A 73 4.285 -4.830 -7.967 1.00 0.00 O ATOM 1111 CB GLN A 73 5.645 -5.244 -10.806 1.00 0.00 C ATOM 1112 CG GLN A 73 5.365 -5.472 -12.310 1.00 0.00 C ATOM 1113 CD GLN A 73 6.202 -6.590 -12.944 1.00 0.00 C ATOM 1114 OE1 GLN A 73 7.267 -6.346 -13.503 1.00 0.00 O ATOM 1115 NE2 GLN A 73 5.736 -7.824 -12.848 1.00 0.00 N ATOM 0 H GLN A 73 5.982 -2.920 -11.510 1.00 0.00 H new ATOM 0 HA GLN A 73 3.767 -4.220 -10.383 1.00 0.00 H new ATOM 0 HB2 GLN A 73 6.708 -5.046 -10.669 1.00 0.00 H new ATOM 0 HB3 GLN A 73 5.419 -6.160 -10.260 1.00 0.00 H new ATOM 0 HG2 GLN A 73 4.308 -5.707 -12.440 1.00 0.00 H new ATOM 0 HG3 GLN A 73 5.554 -4.543 -12.848 1.00 0.00 H new ATOM 0 HE21 GLN A 73 4.848 -7.999 -12.378 1.00 0.00 H new ATOM 0 HE22 GLN A 73 6.265 -8.601 -13.244 1.00 0.00 H new ATOM 1124 N TYR A 74 5.802 -3.170 -8.104 1.00 0.00 N ATOM 1125 CA TYR A 74 5.943 -2.997 -6.637 1.00 0.00 C ATOM 1126 C TYR A 74 5.596 -1.569 -6.185 1.00 0.00 C ATOM 1127 O TYR A 74 5.352 -1.342 -4.994 1.00 0.00 O ATOM 1128 CB TYR A 74 7.386 -3.356 -6.209 1.00 0.00 C ATOM 1129 CG TYR A 74 7.779 -4.815 -6.504 1.00 0.00 C ATOM 1130 CD1 TYR A 74 7.151 -5.879 -5.839 1.00 0.00 C ATOM 1131 CD2 TYR A 74 8.757 -5.130 -7.450 1.00 0.00 C ATOM 1132 CE1 TYR A 74 7.498 -7.186 -6.104 1.00 0.00 C ATOM 1133 CE2 TYR A 74 9.099 -6.439 -7.712 1.00 0.00 C ATOM 1134 CZ TYR A 74 8.465 -7.458 -7.045 1.00 0.00 C ATOM 1135 OH TYR A 74 8.803 -8.767 -7.323 1.00 0.00 O ATOM 0 H TYR A 74 6.411 -2.563 -8.653 1.00 0.00 H new ATOM 0 HA TYR A 74 5.234 -3.669 -6.153 1.00 0.00 H new ATOM 0 HB2 TYR A 74 8.082 -2.692 -6.721 1.00 0.00 H new ATOM 0 HB3 TYR A 74 7.495 -3.170 -5.141 1.00 0.00 H new ATOM 0 HD1 TYR A 74 6.384 -5.670 -5.108 1.00 0.00 H new ATOM 0 HD2 TYR A 74 9.254 -4.334 -7.985 1.00 0.00 H new ATOM 0 HE1 TYR A 74 7.013 -7.994 -5.576 1.00 0.00 H new ATOM 0 HE2 TYR A 74 9.864 -6.663 -8.441 1.00 0.00 H new ATOM 0 HH TYR A 74 9.767 -8.828 -7.490 1.00 0.00 H new ATOM 1145 N PHE A 75 5.551 -0.611 -7.130 1.00 0.00 N ATOM 1146 CA PHE A 75 5.471 0.833 -6.809 1.00 0.00 C ATOM 1147 C PHE A 75 4.109 1.445 -7.208 1.00 0.00 C ATOM 1148 O PHE A 75 3.960 2.668 -7.213 1.00 0.00 O ATOM 1149 CB PHE A 75 6.640 1.576 -7.507 1.00 0.00 C ATOM 1150 CG PHE A 75 8.032 1.104 -7.077 1.00 0.00 C ATOM 1151 CD1 PHE A 75 8.568 1.494 -5.852 1.00 0.00 C ATOM 1152 CD2 PHE A 75 8.802 0.271 -7.887 1.00 0.00 C ATOM 1153 CE1 PHE A 75 9.826 1.069 -5.450 1.00 0.00 C ATOM 1154 CE2 PHE A 75 10.057 -0.149 -7.482 1.00 0.00 C ATOM 1155 CZ PHE A 75 10.567 0.251 -6.267 1.00 0.00 C ATOM 0 H PHE A 75 5.569 -0.810 -8.130 1.00 0.00 H new ATOM 0 HA PHE A 75 5.557 0.950 -5.729 1.00 0.00 H new ATOM 0 HB2 PHE A 75 6.543 1.450 -8.585 1.00 0.00 H new ATOM 0 HB3 PHE A 75 6.551 2.643 -7.302 1.00 0.00 H new ATOM 0 HD1 PHE A 75 7.994 2.139 -5.203 1.00 0.00 H new ATOM 0 HD2 PHE A 75 8.415 -0.051 -8.842 1.00 0.00 H new ATOM 0 HE1 PHE A 75 10.222 1.381 -4.495 1.00 0.00 H new ATOM 0 HE2 PHE A 75 10.640 -0.794 -8.123 1.00 0.00 H new ATOM 0 HZ PHE A 75 11.548 -0.078 -5.957 1.00 0.00 H new ATOM 1165 N VAL A 76 3.116 0.590 -7.517 1.00 0.00 N ATOM 1166 CA VAL A 76 1.717 1.018 -7.737 1.00 0.00 C ATOM 1167 C VAL A 76 0.892 0.591 -6.517 1.00 0.00 C ATOM 1168 O VAL A 76 1.127 -0.479 -5.965 1.00 0.00 O ATOM 1169 CB VAL A 76 1.107 0.419 -9.070 1.00 0.00 C ATOM 1170 CG1 VAL A 76 -0.424 0.632 -9.185 1.00 0.00 C ATOM 1171 CG2 VAL A 76 1.808 1.016 -10.308 1.00 0.00 C ATOM 0 H VAL A 76 3.258 -0.415 -7.621 1.00 0.00 H new ATOM 0 HA VAL A 76 1.691 2.101 -7.854 1.00 0.00 H new ATOM 0 HB VAL A 76 1.283 -0.656 -9.029 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -0.782 0.200 -10.119 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.923 0.147 -8.346 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -0.645 1.699 -9.171 1.00 0.00 H new ATOM 0 HG21 VAL A 76 1.373 0.591 -11.213 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.675 2.098 -10.315 1.00 0.00 H new ATOM 0 HG23 VAL A 76 2.872 0.782 -10.272 1.00 0.00 H new ATOM 1181 N LEU A 77 -0.067 1.441 -6.132 1.00 0.00 N ATOM 1182 CA LEU A 77 -0.880 1.311 -4.899 1.00 0.00 C ATOM 1183 C LEU A 77 -1.606 -0.047 -4.762 1.00 0.00 C ATOM 1184 O LEU A 77 -1.636 -0.606 -3.668 1.00 0.00 O ATOM 1185 CB LEU A 77 -1.891 2.505 -4.819 1.00 0.00 C ATOM 1186 CG LEU A 77 -1.434 3.742 -3.980 1.00 0.00 C ATOM 1187 CD1 LEU A 77 -1.408 3.403 -2.475 1.00 0.00 C ATOM 1188 CD2 LEU A 77 -0.071 4.298 -4.460 1.00 0.00 C ATOM 0 H LEU A 77 -0.312 2.265 -6.680 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.190 1.346 -4.056 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.106 2.840 -5.834 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.827 2.134 -4.401 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.168 4.533 -4.136 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.087 4.278 -1.910 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.406 3.108 -2.151 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.712 2.583 -2.299 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.207 5.157 -3.849 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.691 3.524 -4.367 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.150 4.605 -5.503 1.00 0.00 H new ATOM 1200 N LYS A 78 -2.194 -0.555 -5.859 1.00 0.00 N ATOM 1201 CA LYS A 78 -2.933 -1.845 -5.837 1.00 0.00 C ATOM 1202 C LYS A 78 -1.975 -3.041 -5.615 1.00 0.00 C ATOM 1203 O LYS A 78 -2.301 -3.972 -4.869 1.00 0.00 O ATOM 1204 CB LYS A 78 -3.758 -2.028 -7.145 1.00 0.00 C ATOM 1205 CG LYS A 78 -2.914 -2.019 -8.436 1.00 0.00 C ATOM 1206 CD LYS A 78 -3.747 -2.117 -9.732 1.00 0.00 C ATOM 1207 CE LYS A 78 -2.857 -2.095 -10.989 1.00 0.00 C ATOM 1208 NZ LYS A 78 -3.641 -2.286 -12.230 1.00 0.00 N ATOM 0 H LYS A 78 -2.176 -0.100 -6.772 1.00 0.00 H new ATOM 0 HA LYS A 78 -3.626 -1.819 -4.996 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -4.303 -2.970 -7.088 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -4.501 -1.233 -7.206 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.323 -1.104 -8.465 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.211 -2.852 -8.404 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -4.333 -3.036 -9.718 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -4.454 -1.288 -9.773 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -2.325 -1.145 -11.039 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -2.103 -2.879 -10.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -3.003 -2.264 -13.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -4.129 -3.204 -12.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -4.343 -1.524 -12.318 1.00 0.00 H new ATOM 1222 N ASN A 79 -0.788 -2.989 -6.257 1.00 0.00 N ATOM 1223 CA ASN A 79 0.243 -4.050 -6.154 1.00 0.00 C ATOM 1224 C ASN A 79 0.870 -4.049 -4.760 1.00 0.00 C ATOM 1225 O ASN A 79 1.084 -5.105 -4.162 1.00 0.00 O ATOM 1226 CB ASN A 79 1.367 -3.859 -7.209 1.00 0.00 C ATOM 1227 CG ASN A 79 0.897 -3.964 -8.657 1.00 0.00 C ATOM 1228 OD1 ASN A 79 -0.107 -3.374 -9.041 1.00 0.00 O ATOM 1229 ND2 ASN A 79 1.594 -4.750 -9.465 1.00 0.00 N ATOM 0 H ASN A 79 -0.516 -2.213 -6.861 1.00 0.00 H new ATOM 0 HA ASN A 79 -0.255 -5.002 -6.339 1.00 0.00 H new ATOM 0 HB2 ASN A 79 1.827 -2.882 -7.059 1.00 0.00 H new ATOM 0 HB3 ASN A 79 2.142 -4.606 -7.036 1.00 0.00 H new ATOM 0 HD21 ASN A 79 1.299 -4.876 -10.433 1.00 0.00 H new ATOM 0 HD22 ASN A 79 2.425 -5.229 -9.119 1.00 0.00 H new ATOM 1236 N LEU A 80 1.174 -2.836 -4.282 1.00 0.00 N ATOM 1237 CA LEU A 80 1.735 -2.583 -2.950 1.00 0.00 C ATOM 1238 C LEU A 80 0.791 -3.137 -1.871 1.00 0.00 C ATOM 1239 O LEU A 80 1.191 -3.963 -1.058 1.00 0.00 O ATOM 1240 CB LEU A 80 1.959 -1.053 -2.767 1.00 0.00 C ATOM 1241 CG LEU A 80 2.570 -0.591 -1.407 1.00 0.00 C ATOM 1242 CD1 LEU A 80 3.990 -1.167 -1.194 1.00 0.00 C ATOM 1243 CD2 LEU A 80 2.571 0.949 -1.301 1.00 0.00 C ATOM 0 H LEU A 80 1.033 -1.983 -4.824 1.00 0.00 H new ATOM 0 HA LEU A 80 2.695 -3.089 -2.851 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.612 -0.707 -3.568 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.000 -0.551 -2.897 1.00 0.00 H new ATOM 0 HG LEU A 80 1.939 -0.985 -0.611 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.382 -0.823 -0.237 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.945 -2.256 -1.198 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.644 -0.828 -1.997 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.001 1.248 -0.345 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.164 1.369 -2.113 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.548 1.319 -1.370 1.00 0.00 H new ATOM 1255 N ALA A 81 -0.487 -2.725 -1.951 1.00 0.00 N ATOM 1256 CA ALA A 81 -1.546 -3.134 -1.006 1.00 0.00 C ATOM 1257 C ALA A 81 -1.809 -4.648 -1.043 1.00 0.00 C ATOM 1258 O ALA A 81 -2.175 -5.237 -0.029 1.00 0.00 O ATOM 1259 CB ALA A 81 -2.836 -2.365 -1.302 1.00 0.00 C ATOM 0 H ALA A 81 -0.818 -2.093 -2.680 1.00 0.00 H new ATOM 0 HA ALA A 81 -1.198 -2.893 -0.002 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -3.612 -2.672 -0.601 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.654 -1.295 -1.196 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.162 -2.579 -2.320 1.00 0.00 H new ATOM 1265 N ALA A 82 -1.616 -5.264 -2.222 1.00 0.00 N ATOM 1266 CA ALA A 82 -1.761 -6.721 -2.385 1.00 0.00 C ATOM 1267 C ALA A 82 -0.644 -7.453 -1.611 1.00 0.00 C ATOM 1268 O ALA A 82 -0.931 -8.336 -0.795 1.00 0.00 O ATOM 1269 CB ALA A 82 -1.750 -7.097 -3.873 1.00 0.00 C ATOM 0 H ALA A 82 -1.358 -4.774 -3.079 1.00 0.00 H new ATOM 0 HA ALA A 82 -2.720 -7.033 -1.972 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -1.858 -8.177 -3.976 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -2.577 -6.599 -4.380 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -0.807 -6.782 -4.321 1.00 0.00 H new ATOM 1275 N ARG A 83 0.618 -7.020 -1.843 1.00 0.00 N ATOM 1276 CA ARG A 83 1.823 -7.542 -1.145 1.00 0.00 C ATOM 1277 C ARG A 83 1.666 -7.459 0.388 1.00 0.00 C ATOM 1278 O ARG A 83 1.913 -8.435 1.104 1.00 0.00 O ATOM 1279 CB ARG A 83 3.086 -6.729 -1.562 1.00 0.00 C ATOM 1280 CG ARG A 83 3.563 -6.894 -3.030 1.00 0.00 C ATOM 1281 CD ARG A 83 4.376 -8.191 -3.280 1.00 0.00 C ATOM 1282 NE ARG A 83 3.572 -9.426 -3.214 1.00 0.00 N ATOM 1283 CZ ARG A 83 4.060 -10.662 -3.364 1.00 0.00 C ATOM 1284 NH1 ARG A 83 5.365 -10.877 -3.465 1.00 0.00 N ATOM 1285 NH2 ARG A 83 3.239 -11.687 -3.390 1.00 0.00 N ATOM 0 H ARG A 83 0.833 -6.293 -2.525 1.00 0.00 H new ATOM 0 HA ARG A 83 1.938 -8.587 -1.434 1.00 0.00 H new ATOM 0 HB2 ARG A 83 2.885 -5.672 -1.385 1.00 0.00 H new ATOM 0 HB3 ARG A 83 3.907 -7.012 -0.903 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.694 -6.888 -3.688 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.175 -6.034 -3.303 1.00 0.00 H new ATOM 0 HD2 ARG A 83 4.847 -8.129 -4.261 1.00 0.00 H new ATOM 0 HD3 ARG A 83 5.178 -8.252 -2.544 1.00 0.00 H new ATOM 0 HE ARG A 83 2.571 -9.330 -3.041 1.00 0.00 H new ATOM 0 HH11 ARG A 83 6.015 -10.092 -3.429 1.00 0.00 H new ATOM 0 HH12 ARG A 83 5.718 -11.827 -3.579 1.00 0.00 H new ATOM 0 HH21 ARG A 83 2.234 -11.538 -3.296 1.00 0.00 H new ATOM 0 HH22 ARG A 83 3.606 -12.632 -3.504 1.00 0.00 H new ATOM 1299 N ILE A 84 1.233 -6.278 0.847 1.00 0.00 N ATOM 1300 CA ILE A 84 0.997 -5.972 2.271 1.00 0.00 C ATOM 1301 C ILE A 84 -0.031 -6.945 2.864 1.00 0.00 C ATOM 1302 O ILE A 84 0.254 -7.614 3.842 1.00 0.00 O ATOM 1303 CB ILE A 84 0.496 -4.485 2.425 1.00 0.00 C ATOM 1304 CG1 ILE A 84 1.626 -3.496 1.994 1.00 0.00 C ATOM 1305 CG2 ILE A 84 -0.016 -4.166 3.856 1.00 0.00 C ATOM 1306 CD1 ILE A 84 1.207 -2.051 1.871 1.00 0.00 C ATOM 0 H ILE A 84 1.032 -5.491 0.230 1.00 0.00 H new ATOM 0 HA ILE A 84 1.934 -6.087 2.816 1.00 0.00 H new ATOM 0 HB ILE A 84 -0.362 -4.359 1.764 1.00 0.00 H new ATOM 0 HG12 ILE A 84 2.438 -3.561 2.718 1.00 0.00 H new ATOM 0 HG13 ILE A 84 2.027 -3.824 1.035 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -0.347 -3.129 3.901 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -0.850 -4.824 4.099 1.00 0.00 H new ATOM 0 HG23 ILE A 84 0.790 -4.321 4.574 1.00 0.00 H new ATOM 0 HD11 ILE A 84 2.063 -1.449 1.567 1.00 0.00 H new ATOM 0 HD12 ILE A 84 0.418 -1.963 1.124 1.00 0.00 H new ATOM 0 HD13 ILE A 84 0.837 -1.696 2.833 1.00 0.00 H new ATOM 1318 N ASP A 85 -1.194 -7.045 2.206 1.00 0.00 N ATOM 1319 CA ASP A 85 -2.338 -7.862 2.667 1.00 0.00 C ATOM 1320 C ASP A 85 -1.998 -9.365 2.732 1.00 0.00 C ATOM 1321 O ASP A 85 -2.508 -10.086 3.596 1.00 0.00 O ATOM 1322 CB ASP A 85 -3.540 -7.625 1.727 1.00 0.00 C ATOM 1323 CG ASP A 85 -4.830 -8.336 2.171 1.00 0.00 C ATOM 1324 OD1 ASP A 85 -5.429 -7.896 3.168 1.00 0.00 O ATOM 1325 OD2 ASP A 85 -5.257 -9.317 1.518 1.00 0.00 O ATOM 0 H ASP A 85 -1.375 -6.558 1.328 1.00 0.00 H new ATOM 0 HA ASP A 85 -2.587 -7.551 3.682 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -3.732 -6.554 1.662 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -3.277 -7.964 0.725 1.00 0.00 H new ATOM 1330 N GLU A 86 -1.133 -9.814 1.808 1.00 0.00 N ATOM 1331 CA GLU A 86 -0.606 -11.196 1.793 1.00 0.00 C ATOM 1332 C GLU A 86 0.247 -11.460 3.049 1.00 0.00 C ATOM 1333 O GLU A 86 0.140 -12.522 3.677 1.00 0.00 O ATOM 1334 CB GLU A 86 0.222 -11.453 0.498 1.00 0.00 C ATOM 1335 CG GLU A 86 -0.617 -11.475 -0.793 1.00 0.00 C ATOM 1336 CD GLU A 86 0.228 -11.580 -2.079 1.00 0.00 C ATOM 1337 OE1 GLU A 86 0.584 -12.710 -2.484 1.00 0.00 O ATOM 1338 OE2 GLU A 86 0.547 -10.533 -2.692 1.00 0.00 O ATOM 0 H GLU A 86 -0.777 -9.233 1.049 1.00 0.00 H new ATOM 0 HA GLU A 86 -1.448 -11.888 1.800 1.00 0.00 H new ATOM 0 HB2 GLU A 86 0.985 -10.680 0.409 1.00 0.00 H new ATOM 0 HB3 GLU A 86 0.743 -12.406 0.596 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -1.308 -12.317 -0.753 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -1.221 -10.569 -0.839 1.00 0.00 H new ATOM 1345 N LEU A 87 1.076 -10.464 3.409 1.00 0.00 N ATOM 1346 CA LEU A 87 1.924 -10.513 4.618 1.00 0.00 C ATOM 1347 C LEU A 87 1.079 -10.424 5.909 1.00 0.00 C ATOM 1348 O LEU A 87 1.365 -11.116 6.881 1.00 0.00 O ATOM 1349 CB LEU A 87 2.984 -9.382 4.588 1.00 0.00 C ATOM 1350 CG LEU A 87 3.990 -9.426 3.389 1.00 0.00 C ATOM 1351 CD1 LEU A 87 4.944 -8.216 3.413 1.00 0.00 C ATOM 1352 CD2 LEU A 87 4.775 -10.760 3.352 1.00 0.00 C ATOM 0 H LEU A 87 1.178 -9.603 2.872 1.00 0.00 H new ATOM 0 HA LEU A 87 2.436 -11.475 4.621 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.465 -8.424 4.568 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.553 -9.418 5.517 1.00 0.00 H new ATOM 0 HG LEU A 87 3.404 -9.367 2.472 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.630 -8.276 2.568 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.365 -7.295 3.346 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.513 -8.220 4.343 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.463 -10.754 2.507 1.00 0.00 H new ATOM 0 HD22 LEU A 87 5.338 -10.876 4.278 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.077 -11.590 3.245 1.00 0.00 H new ATOM 1364 N VAL A 88 0.036 -9.578 5.896 1.00 0.00 N ATOM 1365 CA VAL A 88 -0.875 -9.371 7.050 1.00 0.00 C ATOM 1366 C VAL A 88 -1.684 -10.657 7.331 1.00 0.00 C ATOM 1367 O VAL A 88 -1.902 -11.030 8.488 1.00 0.00 O ATOM 1368 CB VAL A 88 -1.844 -8.150 6.806 1.00 0.00 C ATOM 1369 CG1 VAL A 88 -2.843 -7.966 7.971 1.00 0.00 C ATOM 1370 CG2 VAL A 88 -1.043 -6.850 6.591 1.00 0.00 C ATOM 0 H VAL A 88 -0.206 -9.012 5.083 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.265 -9.141 7.923 1.00 0.00 H new ATOM 0 HB VAL A 88 -2.415 -8.371 5.904 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.492 -7.115 7.763 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -3.448 -8.866 8.077 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -2.295 -7.787 8.896 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.732 -6.022 6.425 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -0.437 -6.646 7.473 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -0.394 -6.962 5.723 1.00 0.00 H new ATOM 1380 N ALA A 89 -2.105 -11.319 6.247 1.00 0.00 N ATOM 1381 CA ALA A 89 -2.769 -12.632 6.306 1.00 0.00 C ATOM 1382 C ALA A 89 -1.819 -13.716 6.852 1.00 0.00 C ATOM 1383 O ALA A 89 -2.239 -14.592 7.625 1.00 0.00 O ATOM 1384 CB ALA A 89 -3.308 -13.018 4.919 1.00 0.00 C ATOM 0 H ALA A 89 -1.995 -10.960 5.299 1.00 0.00 H new ATOM 0 HA ALA A 89 -3.610 -12.558 6.996 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -3.797 -13.991 4.976 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -4.028 -12.270 4.587 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -2.483 -13.068 4.209 1.00 0.00 H new ATOM 1390 N ALA A 90 -0.533 -13.621 6.465 1.00 0.00 N ATOM 1391 CA ALA A 90 0.507 -14.592 6.835 1.00 0.00 C ATOM 1392 C ALA A 90 0.848 -14.510 8.327 1.00 0.00 C ATOM 1393 O ALA A 90 0.997 -15.536 8.995 1.00 0.00 O ATOM 1394 CB ALA A 90 1.764 -14.364 5.983 1.00 0.00 C ATOM 0 H ALA A 90 -0.186 -12.860 5.881 1.00 0.00 H new ATOM 0 HA ALA A 90 0.120 -15.592 6.641 1.00 0.00 H new ATOM 0 HB1 ALA A 90 2.530 -15.087 6.263 1.00 0.00 H new ATOM 0 HB2 ALA A 90 1.516 -14.488 4.929 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.139 -13.355 6.151 1.00 0.00 H new ATOM 1400 N LYS A 91 0.961 -13.282 8.846 1.00 0.00 N ATOM 1401 CA LYS A 91 1.359 -13.049 10.248 1.00 0.00 C ATOM 1402 C LYS A 91 0.137 -13.107 11.181 1.00 0.00 C ATOM 1403 O LYS A 91 0.238 -13.544 12.333 1.00 0.00 O ATOM 1404 CB LYS A 91 2.077 -11.684 10.392 1.00 0.00 C ATOM 1405 CG LYS A 91 1.232 -10.437 10.005 1.00 0.00 C ATOM 1406 CD LYS A 91 1.746 -9.127 10.638 1.00 0.00 C ATOM 1407 CE LYS A 91 1.566 -9.108 12.171 1.00 0.00 C ATOM 1408 NZ LYS A 91 1.923 -7.807 12.767 1.00 0.00 N ATOM 0 H LYS A 91 0.783 -12.428 8.317 1.00 0.00 H new ATOM 0 HA LYS A 91 2.051 -13.840 10.537 1.00 0.00 H new ATOM 0 HB2 LYS A 91 2.404 -11.573 11.426 1.00 0.00 H new ATOM 0 HB3 LYS A 91 2.975 -11.699 9.774 1.00 0.00 H new ATOM 0 HG2 LYS A 91 1.230 -10.331 8.920 1.00 0.00 H new ATOM 0 HG3 LYS A 91 0.198 -10.599 10.311 1.00 0.00 H new ATOM 0 HD2 LYS A 91 2.801 -8.999 10.397 1.00 0.00 H new ATOM 0 HD3 LYS A 91 1.214 -8.282 10.201 1.00 0.00 H new ATOM 0 HE2 LYS A 91 0.530 -9.343 12.415 1.00 0.00 H new ATOM 0 HE3 LYS A 91 2.183 -9.889 12.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 1.643 -7.795 13.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 2.950 -7.662 12.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 1.428 -7.045 12.260 1.00 0.00 H new