USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 588 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 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc=-0.00724 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= -0.1 X(o=-0.1,f=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0148 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc=-0.00942 K(o=-0.0094,f=-1.9!) USER MOD Single : A 45 LYS NZ :NH3+ 161:sc= 0.996 (180deg=0.214) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 85:sc= 1.2 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc=-0.000177 K(o=-0.00018,f=-1.4) USER MOD Single : A 62 MET CE :methyl 170:sc= 0 (180deg=-0.067) USER MOD Single : A 63 LYS NZ :NH3+ 163:sc= 1.25 (180deg=1.06) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 SER OG : rot 180:sc= -0.279 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.0444 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -0.2 X(o=-0.2,f=-0.12) USER MOD Single : A 84 HIS : no HD1:sc= -0.747 X(o=-0.75,f=-0.63) USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 94 ASN : amide:sc= 0.00775 X(o=0.0078,f=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0.0168 USER MOD Single : A 103 SER OG : rot 180:sc= 0.0598 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 25 15.292 23.473 -3.972 1.00 10.00 N ATOM 2 CA GLY A 25 16.310 22.693 -4.643 1.00 10.00 C ATOM 3 C GLY A 25 15.755 21.417 -5.237 1.00 10.00 C ATOM 4 O GLY A 25 15.349 21.391 -6.397 1.00 10.00 O ATOM 0 HA2 GLY A 25 16.762 23.292 -5.433 1.00 10.00 H new ATOM 0 HA3 GLY A 25 17.102 22.448 -3.936 1.00 10.00 H new ATOM 8 N SER A 26 15.735 20.359 -4.444 1.00 10.00 N ATOM 9 CA SER A 26 15.231 19.072 -4.897 1.00 10.00 C ATOM 10 C SER A 26 14.405 18.407 -3.804 1.00 10.00 C ATOM 11 O SER A 26 14.841 18.304 -2.658 1.00 10.00 O ATOM 12 CB SER A 26 16.398 18.172 -5.297 1.00 10.00 C ATOM 13 OG SER A 26 17.325 18.878 -6.106 1.00 10.00 O ATOM 0 H SER A 26 16.064 20.366 -3.478 1.00 10.00 H new ATOM 0 HA SER A 26 14.589 19.231 -5.763 1.00 10.00 H new ATOM 0 HB2 SER A 26 16.899 17.799 -4.403 1.00 10.00 H new ATOM 0 HB3 SER A 26 16.024 17.303 -5.839 1.00 10.00 H new ATOM 0 HG SER A 26 18.065 18.284 -6.350 1.00 10.00 H new ATOM 19 N SER A 27 13.211 17.964 -4.157 1.00 10.00 N ATOM 20 CA SER A 27 12.328 17.310 -3.206 1.00 10.00 C ATOM 21 C SER A 27 12.611 15.813 -3.160 1.00 10.00 C ATOM 22 O SER A 27 12.240 15.074 -4.073 1.00 10.00 O ATOM 23 CB SER A 27 10.877 17.557 -3.597 1.00 10.00 C ATOM 24 OG SER A 27 10.669 18.919 -3.936 1.00 10.00 O ATOM 0 H SER A 27 12.829 18.046 -5.099 1.00 10.00 H new ATOM 0 HA SER A 27 12.507 17.726 -2.215 1.00 10.00 H new ATOM 0 HB2 SER A 27 10.611 16.923 -4.443 1.00 10.00 H new ATOM 0 HB3 SER A 27 10.221 17.279 -2.772 1.00 10.00 H new ATOM 0 HG SER A 27 9.731 19.054 -4.185 1.00 10.00 H new ATOM 30 N GLY A 28 13.276 15.376 -2.098 1.00 10.00 N ATOM 31 CA GLY A 28 13.608 13.972 -1.947 1.00 10.00 C ATOM 32 C GLY A 28 14.296 13.692 -0.630 1.00 10.00 C ATOM 33 O GLY A 28 14.714 14.620 0.067 1.00 10.00 O ATOM 0 H GLY A 28 13.593 15.973 -1.334 1.00 10.00 H new ATOM 0 HA2 GLY A 28 12.699 13.375 -2.015 1.00 10.00 H new ATOM 0 HA3 GLY A 28 14.255 13.662 -2.767 1.00 10.00 H new ATOM 37 N SER A 29 14.401 12.421 -0.276 1.00 10.00 N ATOM 38 CA SER A 29 15.045 12.024 0.965 1.00 10.00 C ATOM 39 C SER A 29 15.651 10.629 0.838 1.00 10.00 C ATOM 40 O SER A 29 14.976 9.620 1.050 1.00 10.00 O ATOM 41 CB SER A 29 14.051 12.067 2.135 1.00 10.00 C ATOM 42 OG SER A 29 13.553 13.381 2.335 1.00 10.00 O ATOM 0 H SER A 29 14.047 11.644 -0.834 1.00 10.00 H new ATOM 0 HA SER A 29 15.847 12.733 1.168 1.00 10.00 H new ATOM 0 HB2 SER A 29 13.222 11.387 1.937 1.00 10.00 H new ATOM 0 HB3 SER A 29 14.540 11.718 3.044 1.00 10.00 H new ATOM 0 HG SER A 29 12.921 13.381 3.084 1.00 10.00 H new ATOM 48 N SER A 30 16.921 10.581 0.474 1.00 10.00 N ATOM 49 CA SER A 30 17.622 9.322 0.320 1.00 10.00 C ATOM 50 C SER A 30 18.239 8.906 1.649 1.00 10.00 C ATOM 51 O SER A 30 19.132 9.579 2.165 1.00 10.00 O ATOM 52 CB SER A 30 18.703 9.452 -0.757 1.00 10.00 C ATOM 53 OG SER A 30 18.303 10.360 -1.775 1.00 10.00 O ATOM 0 H SER A 30 17.489 11.406 0.279 1.00 10.00 H new ATOM 0 HA SER A 30 16.914 8.554 0.009 1.00 10.00 H new ATOM 0 HB2 SER A 30 19.633 9.795 -0.304 1.00 10.00 H new ATOM 0 HB3 SER A 30 18.904 8.474 -1.195 1.00 10.00 H new ATOM 0 HG SER A 30 19.010 10.427 -2.450 1.00 10.00 H new ATOM 59 N GLY A 31 17.744 7.816 2.216 1.00 10.00 N ATOM 60 CA GLY A 31 18.259 7.340 3.483 1.00 10.00 C ATOM 61 C GLY A 31 17.231 6.518 4.222 1.00 10.00 C ATOM 62 O GLY A 31 16.639 6.978 5.197 1.00 10.00 O ATOM 0 H GLY A 31 16.993 7.251 1.820 1.00 10.00 H new ATOM 0 HA2 GLY A 31 19.152 6.739 3.312 1.00 10.00 H new ATOM 0 HA3 GLY A 31 18.558 8.189 4.098 1.00 10.00 H new ATOM 66 N VAL A 32 17.011 5.302 3.755 1.00 10.00 N ATOM 67 CA VAL A 32 16.036 4.416 4.372 1.00 10.00 C ATOM 68 C VAL A 32 16.645 3.670 5.551 1.00 10.00 C ATOM 69 O VAL A 32 17.868 3.519 5.648 1.00 10.00 O ATOM 70 CB VAL A 32 15.478 3.399 3.357 1.00 10.00 C ATOM 71 CG1 VAL A 32 14.696 4.113 2.266 1.00 10.00 C ATOM 72 CG2 VAL A 32 16.600 2.560 2.758 1.00 10.00 C ATOM 0 H VAL A 32 17.494 4.904 2.950 1.00 10.00 H new ATOM 0 HA VAL A 32 15.217 5.041 4.728 1.00 10.00 H new ATOM 0 HB VAL A 32 14.800 2.727 3.882 1.00 10.00 H new ATOM 0 HG11 VAL A 32 14.309 3.381 1.557 1.00 10.00 H new ATOM 0 HG12 VAL A 32 13.866 4.660 2.712 1.00 10.00 H new ATOM 0 HG13 VAL A 32 15.352 4.810 1.745 1.00 10.00 H new ATOM 0 HG21 VAL A 32 16.182 1.850 2.045 1.00 10.00 H new ATOM 0 HG22 VAL A 32 17.309 3.212 2.248 1.00 10.00 H new ATOM 0 HG23 VAL A 32 17.113 2.018 3.552 1.00 10.00 H new ATOM 82 N HIS A 33 15.786 3.233 6.455 1.00 10.00 N ATOM 83 CA HIS A 33 16.219 2.488 7.624 1.00 10.00 C ATOM 84 C HIS A 33 15.723 1.054 7.519 1.00 10.00 C ATOM 85 O HIS A 33 15.084 0.696 6.532 1.00 10.00 O ATOM 86 CB HIS A 33 15.699 3.143 8.904 1.00 10.00 C ATOM 87 CG HIS A 33 16.436 4.387 9.294 1.00 10.00 C ATOM 88 ND1 HIS A 33 16.724 4.659 10.611 1.00 10.00 N ATOM 89 CD2 HIS A 33 16.915 5.390 8.518 1.00 10.00 C ATOM 90 CE1 HIS A 33 17.364 5.814 10.609 1.00 10.00 C ATOM 91 NE2 HIS A 33 17.504 6.292 9.366 1.00 10.00 N ATOM 0 H HIS A 33 14.778 3.382 6.401 1.00 10.00 H new ATOM 0 HA HIS A 33 17.308 2.490 7.666 1.00 10.00 H new ATOM 0 HB2 HIS A 33 14.644 3.384 8.774 1.00 10.00 H new ATOM 0 HB3 HIS A 33 15.764 2.424 9.720 1.00 10.00 H new ATOM 0 HD2 HIS A 33 16.846 5.464 7.443 1.00 10.00 H new ATOM 0 HE1 HIS A 33 17.728 6.310 11.497 1.00 10.00 H new ATOM 0 HE2 HIS A 33 17.963 7.163 9.100 1.00 10.00 H new ATOM 99 N VAL A 34 16.008 0.238 8.527 1.00 10.00 N ATOM 100 CA VAL A 34 15.586 -1.162 8.513 1.00 10.00 C ATOM 101 C VAL A 34 14.064 -1.296 8.603 1.00 10.00 C ATOM 102 O VAL A 34 13.471 -2.171 7.971 1.00 10.00 O ATOM 103 CB VAL A 34 16.240 -1.975 9.656 1.00 10.00 C ATOM 104 CG1 VAL A 34 17.650 -2.393 9.271 1.00 10.00 C ATOM 105 CG2 VAL A 34 16.257 -1.178 10.955 1.00 10.00 C ATOM 0 H VAL A 34 16.526 0.517 9.360 1.00 10.00 H new ATOM 0 HA VAL A 34 15.921 -1.569 7.559 1.00 10.00 H new ATOM 0 HB VAL A 34 15.642 -2.872 9.818 1.00 10.00 H new ATOM 0 HG11 VAL A 34 18.096 -2.964 10.086 1.00 10.00 H new ATOM 0 HG12 VAL A 34 17.614 -3.010 8.373 1.00 10.00 H new ATOM 0 HG13 VAL A 34 18.253 -1.506 9.078 1.00 10.00 H new ATOM 0 HG21 VAL A 34 16.722 -1.773 11.741 1.00 10.00 H new ATOM 0 HG22 VAL A 34 16.826 -0.259 10.811 1.00 10.00 H new ATOM 0 HG23 VAL A 34 15.235 -0.931 11.243 1.00 10.00 H new ATOM 115 N GLU A 35 13.437 -0.417 9.369 1.00 10.00 N ATOM 116 CA GLU A 35 11.993 -0.451 9.543 1.00 10.00 C ATOM 117 C GLU A 35 11.361 0.806 8.953 1.00 10.00 C ATOM 118 O GLU A 35 11.457 1.892 9.528 1.00 10.00 O ATOM 119 CB GLU A 35 11.652 -0.580 11.030 1.00 10.00 C ATOM 120 CG GLU A 35 10.440 -1.450 11.304 1.00 10.00 C ATOM 121 CD GLU A 35 10.549 -2.197 12.614 1.00 10.00 C ATOM 122 OE1 GLU A 35 9.597 -2.139 13.417 1.00 10.00 O ATOM 123 OE2 GLU A 35 11.590 -2.849 12.846 1.00 10.00 O ATOM 0 H GLU A 35 13.906 0.330 9.881 1.00 10.00 H new ATOM 0 HA GLU A 35 11.590 -1.316 9.016 1.00 10.00 H new ATOM 0 HB2 GLU A 35 12.512 -0.994 11.556 1.00 10.00 H new ATOM 0 HB3 GLU A 35 11.475 0.414 11.441 1.00 10.00 H new ATOM 0 HG2 GLU A 35 9.545 -0.828 11.318 1.00 10.00 H new ATOM 0 HG3 GLU A 35 10.318 -2.165 10.490 1.00 10.00 H new ATOM 130 N ASP A 36 10.714 0.667 7.803 1.00 10.00 N ATOM 131 CA ASP A 36 10.101 1.816 7.151 1.00 10.00 C ATOM 132 C ASP A 36 8.736 1.487 6.543 1.00 10.00 C ATOM 133 O ASP A 36 8.107 2.346 5.921 1.00 10.00 O ATOM 134 CB ASP A 36 11.039 2.371 6.072 1.00 10.00 C ATOM 135 CG ASP A 36 10.877 1.690 4.726 1.00 10.00 C ATOM 136 OD1 ASP A 36 11.189 0.487 4.616 1.00 10.00 O ATOM 137 OD2 ASP A 36 10.453 2.366 3.764 1.00 10.00 O ATOM 0 H ASP A 36 10.601 -0.218 7.308 1.00 10.00 H new ATOM 0 HA ASP A 36 9.936 2.571 7.919 1.00 10.00 H new ATOM 0 HB2 ASP A 36 10.855 3.439 5.955 1.00 10.00 H new ATOM 0 HB3 ASP A 36 12.071 2.260 6.406 1.00 10.00 H new ATOM 142 N ALA A 37 8.262 0.261 6.741 1.00 10.00 N ATOM 143 CA ALA A 37 6.963 -0.147 6.196 1.00 10.00 C ATOM 144 C ALA A 37 5.840 0.693 6.798 1.00 10.00 C ATOM 145 O ALA A 37 4.888 1.069 6.112 1.00 10.00 O ATOM 146 CB ALA A 37 6.709 -1.626 6.450 1.00 10.00 C ATOM 0 H ALA A 37 8.749 -0.464 7.269 1.00 10.00 H new ATOM 0 HA ALA A 37 6.983 0.018 5.119 1.00 10.00 H new ATOM 0 HB1 ALA A 37 5.740 -1.905 6.037 1.00 10.00 H new ATOM 0 HB2 ALA A 37 7.491 -2.217 5.972 1.00 10.00 H new ATOM 0 HB3 ALA A 37 6.714 -1.817 7.523 1.00 10.00 H new ATOM 152 N LEU A 38 5.979 0.998 8.083 1.00 10.00 N ATOM 153 CA LEU A 38 4.995 1.799 8.804 1.00 10.00 C ATOM 154 C LEU A 38 4.906 3.221 8.240 1.00 10.00 C ATOM 155 O LEU A 38 3.875 3.883 8.370 1.00 10.00 O ATOM 156 CB LEU A 38 5.340 1.835 10.304 1.00 10.00 C ATOM 157 CG LEU A 38 6.834 1.904 10.646 1.00 10.00 C ATOM 158 CD1 LEU A 38 7.319 3.343 10.690 1.00 10.00 C ATOM 159 CD2 LEU A 38 7.105 1.210 11.971 1.00 10.00 C ATOM 0 H LEU A 38 6.771 0.700 8.652 1.00 10.00 H new ATOM 0 HA LEU A 38 4.019 1.331 8.674 1.00 10.00 H new ATOM 0 HB2 LEU A 38 4.845 2.697 10.750 1.00 10.00 H new ATOM 0 HB3 LEU A 38 4.920 0.946 10.775 1.00 10.00 H new ATOM 0 HG LEU A 38 7.386 1.388 9.861 1.00 10.00 H new ATOM 0 HD11 LEU A 38 8.381 3.362 10.935 1.00 10.00 H new ATOM 0 HD12 LEU A 38 7.162 3.810 9.717 1.00 10.00 H new ATOM 0 HD13 LEU A 38 6.762 3.892 11.450 1.00 10.00 H new ATOM 0 HD21 LEU A 38 8.169 1.267 12.201 1.00 10.00 H new ATOM 0 HD22 LEU A 38 6.536 1.700 12.761 1.00 10.00 H new ATOM 0 HD23 LEU A 38 6.804 0.165 11.902 1.00 10.00 H new ATOM 171 N THR A 39 5.976 3.672 7.598 1.00 10.00 N ATOM 172 CA THR A 39 6.029 5.007 7.025 1.00 10.00 C ATOM 173 C THR A 39 5.077 5.142 5.838 1.00 10.00 C ATOM 174 O THR A 39 4.305 6.098 5.756 1.00 10.00 O ATOM 175 CB THR A 39 7.464 5.347 6.584 1.00 10.00 C ATOM 176 OG1 THR A 39 8.393 4.817 7.541 1.00 10.00 O ATOM 177 CG2 THR A 39 7.656 6.852 6.461 1.00 10.00 C ATOM 0 H THR A 39 6.826 3.125 7.461 1.00 10.00 H new ATOM 0 HA THR A 39 5.715 5.709 7.797 1.00 10.00 H new ATOM 0 HB THR A 39 7.642 4.900 5.606 1.00 10.00 H new ATOM 0 HG1 THR A 39 9.308 5.031 7.262 1.00 10.00 H new ATOM 0 HG21 THR A 39 8.678 7.064 6.148 1.00 10.00 H new ATOM 0 HG22 THR A 39 6.961 7.248 5.721 1.00 10.00 H new ATOM 0 HG23 THR A 39 7.467 7.323 7.426 1.00 10.00 H new ATOM 185 N TYR A 40 5.115 4.173 4.927 1.00 10.00 N ATOM 186 CA TYR A 40 4.245 4.208 3.758 1.00 10.00 C ATOM 187 C TYR A 40 2.792 4.018 4.174 1.00 10.00 C ATOM 188 O TYR A 40 1.888 4.634 3.612 1.00 10.00 O ATOM 189 CB TYR A 40 4.645 3.139 2.736 1.00 10.00 C ATOM 190 CG TYR A 40 3.967 3.316 1.395 1.00 10.00 C ATOM 191 CD1 TYR A 40 3.186 2.306 0.847 1.00 10.00 C ATOM 192 CD2 TYR A 40 4.107 4.497 0.677 1.00 10.00 C ATOM 193 CE1 TYR A 40 2.565 2.469 -0.379 1.00 10.00 C ATOM 194 CE2 TYR A 40 3.491 4.668 -0.546 1.00 10.00 C ATOM 195 CZ TYR A 40 2.722 3.653 -1.071 1.00 10.00 C ATOM 196 OH TYR A 40 2.112 3.822 -2.293 1.00 10.00 O ATOM 0 H TYR A 40 5.732 3.363 4.975 1.00 10.00 H new ATOM 0 HA TYR A 40 4.356 5.185 3.287 1.00 10.00 H new ATOM 0 HB2 TYR A 40 5.726 3.165 2.596 1.00 10.00 H new ATOM 0 HB3 TYR A 40 4.399 2.155 3.134 1.00 10.00 H new ATOM 0 HD1 TYR A 40 3.062 1.379 1.386 1.00 10.00 H new ATOM 0 HD2 TYR A 40 4.709 5.296 1.083 1.00 10.00 H new ATOM 0 HE1 TYR A 40 1.961 1.675 -0.792 1.00 10.00 H new ATOM 0 HE2 TYR A 40 3.611 5.594 -1.089 1.00 10.00 H new ATOM 0 HH TYR A 40 2.324 4.712 -2.644 1.00 10.00 H new ATOM 206 N LEU A 41 2.581 3.172 5.177 1.00 10.00 N ATOM 207 CA LEU A 41 1.241 2.905 5.688 1.00 10.00 C ATOM 208 C LEU A 41 0.644 4.159 6.320 1.00 10.00 C ATOM 209 O LEU A 41 -0.576 4.344 6.335 1.00 10.00 O ATOM 210 CB LEU A 41 1.282 1.767 6.712 1.00 10.00 C ATOM 211 CG LEU A 41 1.538 0.380 6.125 1.00 10.00 C ATOM 212 CD1 LEU A 41 1.935 -0.600 7.217 1.00 10.00 C ATOM 213 CD2 LEU A 41 0.308 -0.122 5.383 1.00 10.00 C ATOM 0 H LEU A 41 3.323 2.658 5.653 1.00 10.00 H new ATOM 0 HA LEU A 41 0.609 2.606 4.852 1.00 10.00 H new ATOM 0 HB2 LEU A 41 2.060 1.985 7.444 1.00 10.00 H new ATOM 0 HB3 LEU A 41 0.334 1.748 7.250 1.00 10.00 H new ATOM 0 HG LEU A 41 2.362 0.457 5.416 1.00 10.00 H new ATOM 0 HD11 LEU A 41 2.113 -1.582 6.778 1.00 10.00 H new ATOM 0 HD12 LEU A 41 2.845 -0.251 7.706 1.00 10.00 H new ATOM 0 HD13 LEU A 41 1.133 -0.671 7.951 1.00 10.00 H new ATOM 0 HD21 LEU A 41 0.510 -1.111 4.972 1.00 10.00 H new ATOM 0 HD22 LEU A 41 -0.534 -0.180 6.072 1.00 10.00 H new ATOM 0 HD23 LEU A 41 0.066 0.565 4.572 1.00 10.00 H new ATOM 225 N ASP A 42 1.516 5.013 6.836 1.00 10.00 N ATOM 226 CA ASP A 42 1.094 6.258 7.460 1.00 10.00 C ATOM 227 C ASP A 42 0.724 7.282 6.394 1.00 10.00 C ATOM 228 O ASP A 42 -0.237 8.033 6.549 1.00 10.00 O ATOM 229 CB ASP A 42 2.206 6.815 8.346 1.00 10.00 C ATOM 230 CG ASP A 42 1.704 7.878 9.296 1.00 10.00 C ATOM 231 OD1 ASP A 42 0.982 7.527 10.251 1.00 10.00 O ATOM 232 OD2 ASP A 42 2.028 9.068 9.102 1.00 10.00 O ATOM 0 H ASP A 42 2.525 4.865 6.834 1.00 10.00 H new ATOM 0 HA ASP A 42 0.220 6.054 8.078 1.00 10.00 H new ATOM 0 HB2 ASP A 42 2.654 6.002 8.918 1.00 10.00 H new ATOM 0 HB3 ASP A 42 2.992 7.234 7.718 1.00 10.00 H new ATOM 237 N GLN A 43 1.488 7.286 5.307 1.00 10.00 N ATOM 238 CA GLN A 43 1.263 8.210 4.194 1.00 10.00 C ATOM 239 C GLN A 43 -0.132 8.034 3.606 1.00 10.00 C ATOM 240 O GLN A 43 -0.773 9.007 3.209 1.00 10.00 O ATOM 241 CB GLN A 43 2.313 7.988 3.106 1.00 10.00 C ATOM 242 CG GLN A 43 3.695 8.484 3.489 1.00 10.00 C ATOM 243 CD GLN A 43 3.871 9.968 3.228 1.00 10.00 C ATOM 244 OE1 GLN A 43 2.914 10.744 3.279 1.00 10.00 O ATOM 245 NE2 GLN A 43 5.092 10.377 2.937 1.00 10.00 N ATOM 0 H GLN A 43 2.277 6.654 5.170 1.00 10.00 H new ATOM 0 HA GLN A 43 1.348 9.226 4.579 1.00 10.00 H new ATOM 0 HB2 GLN A 43 2.368 6.924 2.877 1.00 10.00 H new ATOM 0 HB3 GLN A 43 1.993 8.494 2.195 1.00 10.00 H new ATOM 0 HG2 GLN A 43 3.871 8.281 4.545 1.00 10.00 H new ATOM 0 HG3 GLN A 43 4.446 7.928 2.928 1.00 10.00 H new ATOM 0 HE21 GLN A 43 5.860 9.707 2.904 1.00 10.00 H new ATOM 0 HE22 GLN A 43 5.267 11.363 2.745 1.00 10.00 H new ATOM 254 N VAL A 44 -0.595 6.790 3.569 1.00 10.00 N ATOM 255 CA VAL A 44 -1.918 6.475 3.035 1.00 10.00 C ATOM 256 C VAL A 44 -3.013 7.177 3.840 1.00 10.00 C ATOM 257 O VAL A 44 -3.963 7.721 3.273 1.00 10.00 O ATOM 258 CB VAL A 44 -2.170 4.950 3.040 1.00 10.00 C ATOM 259 CG1 VAL A 44 -3.528 4.619 2.435 1.00 10.00 C ATOM 260 CG2 VAL A 44 -1.063 4.220 2.292 1.00 10.00 C ATOM 0 H VAL A 44 -0.073 5.980 3.903 1.00 10.00 H new ATOM 0 HA VAL A 44 -1.949 6.834 2.006 1.00 10.00 H new ATOM 0 HB VAL A 44 -2.168 4.613 4.077 1.00 10.00 H new ATOM 0 HG11 VAL A 44 -3.680 3.540 2.451 1.00 10.00 H new ATOM 0 HG12 VAL A 44 -4.313 5.105 3.015 1.00 10.00 H new ATOM 0 HG13 VAL A 44 -3.564 4.976 1.406 1.00 10.00 H new ATOM 0 HG21 VAL A 44 -1.259 3.148 2.307 1.00 10.00 H new ATOM 0 HG22 VAL A 44 -1.030 4.568 1.260 1.00 10.00 H new ATOM 0 HG23 VAL A 44 -0.106 4.420 2.773 1.00 10.00 H new ATOM 270 N LYS A 45 -2.855 7.197 5.158 1.00 10.00 N ATOM 271 CA LYS A 45 -3.839 7.823 6.038 1.00 10.00 C ATOM 272 C LYS A 45 -3.806 9.346 5.905 1.00 10.00 C ATOM 273 O LYS A 45 -4.796 10.021 6.176 1.00 10.00 O ATOM 274 CB LYS A 45 -3.610 7.384 7.496 1.00 10.00 C ATOM 275 CG LYS A 45 -2.833 8.372 8.344 1.00 10.00 C ATOM 276 CD LYS A 45 -2.577 7.820 9.736 1.00 10.00 C ATOM 277 CE LYS A 45 -2.151 8.907 10.711 1.00 10.00 C ATOM 278 NZ LYS A 45 -0.829 9.486 10.367 1.00 10.00 N ATOM 0 H LYS A 45 -2.056 6.788 5.642 1.00 10.00 H new ATOM 0 HA LYS A 45 -4.832 7.491 5.735 1.00 10.00 H new ATOM 0 HB2 LYS A 45 -4.579 7.208 7.964 1.00 10.00 H new ATOM 0 HB3 LYS A 45 -3.079 6.432 7.495 1.00 10.00 H new ATOM 0 HG2 LYS A 45 -1.883 8.602 7.861 1.00 10.00 H new ATOM 0 HG3 LYS A 45 -3.388 9.307 8.417 1.00 10.00 H new ATOM 0 HD2 LYS A 45 -3.481 7.335 10.106 1.00 10.00 H new ATOM 0 HD3 LYS A 45 -1.803 7.054 9.686 1.00 10.00 H new ATOM 0 HE2 LYS A 45 -2.901 9.698 10.719 1.00 10.00 H new ATOM 0 HE3 LYS A 45 -2.113 8.493 11.719 1.00 10.00 H new ATOM 0 HZ1 LYS A 45 -0.722 10.408 10.835 1.00 10.00 H new ATOM 0 HZ2 LYS A 45 -0.075 8.845 10.688 1.00 10.00 H new ATOM 0 HZ3 LYS A 45 -0.762 9.611 9.337 1.00 10.00 H new ATOM 292 N ILE A 46 -2.670 9.884 5.472 1.00 10.00 N ATOM 293 CA ILE A 46 -2.529 11.322 5.296 1.00 10.00 C ATOM 294 C ILE A 46 -3.208 11.761 4.000 1.00 10.00 C ATOM 295 O ILE A 46 -4.006 12.706 3.987 1.00 10.00 O ATOM 296 CB ILE A 46 -1.044 11.748 5.263 1.00 10.00 C ATOM 297 CG1 ILE A 46 -0.332 11.340 6.556 1.00 10.00 C ATOM 298 CG2 ILE A 46 -0.922 13.249 5.035 1.00 10.00 C ATOM 299 CD1 ILE A 46 1.169 11.546 6.512 1.00 10.00 C ATOM 0 H ILE A 46 -1.836 9.345 5.237 1.00 10.00 H new ATOM 0 HA ILE A 46 -3.007 11.805 6.148 1.00 10.00 H new ATOM 0 HB ILE A 46 -0.561 11.233 4.432 1.00 10.00 H new ATOM 0 HG12 ILE A 46 -0.745 11.914 7.385 1.00 10.00 H new ATOM 0 HG13 ILE A 46 -0.541 10.290 6.760 1.00 10.00 H new ATOM 0 HG21 ILE A 46 0.131 13.530 5.015 1.00 10.00 H new ATOM 0 HG22 ILE A 46 -1.386 13.511 4.084 1.00 10.00 H new ATOM 0 HG23 ILE A 46 -1.424 13.782 5.843 1.00 10.00 H new ATOM 0 HD11 ILE A 46 1.607 11.236 7.461 1.00 10.00 H new ATOM 0 HD12 ILE A 46 1.594 10.950 5.704 1.00 10.00 H new ATOM 0 HD13 ILE A 46 1.387 12.600 6.339 1.00 10.00 H new ATOM 311 N ARG A 47 -2.905 11.048 2.918 1.00 10.00 N ATOM 312 CA ARG A 47 -3.467 11.355 1.610 1.00 10.00 C ATOM 313 C ARG A 47 -4.980 11.175 1.600 1.00 10.00 C ATOM 314 O ARG A 47 -5.701 11.980 1.013 1.00 10.00 O ATOM 315 CB ARG A 47 -2.830 10.475 0.531 1.00 10.00 C ATOM 316 CG ARG A 47 -1.577 11.076 -0.087 1.00 10.00 C ATOM 317 CD ARG A 47 -1.910 12.245 -1.000 1.00 10.00 C ATOM 318 NE ARG A 47 -0.708 12.868 -1.551 1.00 10.00 N ATOM 319 CZ ARG A 47 -0.701 13.653 -2.624 1.00 10.00 C ATOM 320 NH1 ARG A 47 -1.832 13.922 -3.273 1.00 10.00 N ATOM 321 NH2 ARG A 47 0.444 14.176 -3.047 1.00 10.00 N ATOM 0 H ARG A 47 -2.270 10.250 2.924 1.00 10.00 H new ATOM 0 HA ARG A 47 -3.246 12.400 1.394 1.00 10.00 H new ATOM 0 HB2 ARG A 47 -2.582 9.506 0.965 1.00 10.00 H new ATOM 0 HB3 ARG A 47 -3.562 10.294 -0.256 1.00 10.00 H new ATOM 0 HG2 ARG A 47 -0.905 11.411 0.703 1.00 10.00 H new ATOM 0 HG3 ARG A 47 -1.047 10.311 -0.653 1.00 10.00 H new ATOM 0 HD2 ARG A 47 -2.545 11.899 -1.815 1.00 10.00 H new ATOM 0 HD3 ARG A 47 -2.481 12.988 -0.444 1.00 10.00 H new ATOM 0 HE ARG A 47 0.181 12.689 -1.083 1.00 10.00 H new ATOM 0 HH11 ARG A 47 -2.713 13.525 -2.948 1.00 10.00 H new ATOM 0 HH12 ARG A 47 -1.817 14.525 -4.095 1.00 10.00 H new ATOM 0 HH21 ARG A 47 1.311 13.975 -2.549 1.00 10.00 H new ATOM 0 HH22 ARG A 47 0.456 14.779 -3.870 1.00 10.00 H new ATOM 335 N PHE A 48 -5.453 10.121 2.253 1.00 10.00 N ATOM 336 CA PHE A 48 -6.881 9.838 2.320 1.00 10.00 C ATOM 337 C PHE A 48 -7.436 10.222 3.687 1.00 10.00 C ATOM 338 O PHE A 48 -8.271 9.519 4.254 1.00 10.00 O ATOM 339 CB PHE A 48 -7.147 8.354 2.043 1.00 10.00 C ATOM 340 CG PHE A 48 -6.843 7.950 0.634 1.00 10.00 C ATOM 341 CD1 PHE A 48 -7.744 8.207 -0.384 1.00 10.00 C ATOM 342 CD2 PHE A 48 -5.653 7.313 0.329 1.00 10.00 C ATOM 343 CE1 PHE A 48 -7.461 7.837 -1.681 1.00 10.00 C ATOM 344 CE2 PHE A 48 -5.364 6.941 -0.966 1.00 10.00 C ATOM 345 CZ PHE A 48 -6.270 7.202 -1.973 1.00 10.00 C ATOM 0 H PHE A 48 -4.867 9.447 2.745 1.00 10.00 H new ATOM 0 HA PHE A 48 -7.384 10.432 1.557 1.00 10.00 H new ATOM 0 HB2 PHE A 48 -6.546 7.751 2.724 1.00 10.00 H new ATOM 0 HB3 PHE A 48 -8.192 8.133 2.259 1.00 10.00 H new ATOM 0 HD1 PHE A 48 -8.677 8.702 -0.160 1.00 10.00 H new ATOM 0 HD2 PHE A 48 -4.942 7.105 1.115 1.00 10.00 H new ATOM 0 HE1 PHE A 48 -8.170 8.044 -2.469 1.00 10.00 H new ATOM 0 HE2 PHE A 48 -4.431 6.447 -1.192 1.00 10.00 H new ATOM 0 HZ PHE A 48 -6.048 6.910 -2.989 1.00 10.00 H new ATOM 355 N GLY A 49 -6.970 11.347 4.209 1.00 10.00 N ATOM 356 CA GLY A 49 -7.428 11.807 5.508 1.00 10.00 C ATOM 357 C GLY A 49 -8.861 12.297 5.474 1.00 10.00 C ATOM 358 O GLY A 49 -9.578 12.213 6.472 1.00 10.00 O ATOM 0 H GLY A 49 -6.283 11.951 3.758 1.00 10.00 H new ATOM 0 HA2 GLY A 49 -7.342 10.995 6.229 1.00 10.00 H new ATOM 0 HA3 GLY A 49 -6.780 12.612 5.855 1.00 10.00 H new ATOM 362 N SER A 50 -9.278 12.807 4.325 1.00 10.00 N ATOM 363 CA SER A 50 -10.628 13.321 4.167 1.00 10.00 C ATOM 364 C SER A 50 -11.615 12.192 3.895 1.00 10.00 C ATOM 365 O SER A 50 -12.774 12.265 4.305 1.00 10.00 O ATOM 366 CB SER A 50 -10.674 14.359 3.039 1.00 10.00 C ATOM 367 OG SER A 50 -9.605 15.287 3.161 1.00 10.00 O ATOM 0 H SER A 50 -8.699 12.876 3.488 1.00 10.00 H new ATOM 0 HA SER A 50 -10.919 13.805 5.099 1.00 10.00 H new ATOM 0 HB2 SER A 50 -10.616 13.856 2.074 1.00 10.00 H new ATOM 0 HB3 SER A 50 -11.626 14.889 3.066 1.00 10.00 H new ATOM 0 HG SER A 50 -9.653 15.939 2.431 1.00 10.00 H new ATOM 373 N ASP A 51 -11.157 11.136 3.232 1.00 10.00 N ATOM 374 CA ASP A 51 -12.030 10.008 2.922 1.00 10.00 C ATOM 375 C ASP A 51 -11.591 8.758 3.678 1.00 10.00 C ATOM 376 O ASP A 51 -10.583 8.138 3.339 1.00 10.00 O ATOM 377 CB ASP A 51 -12.044 9.714 1.422 1.00 10.00 C ATOM 378 CG ASP A 51 -12.998 8.588 1.080 1.00 10.00 C ATOM 379 OD1 ASP A 51 -12.562 7.421 1.056 1.00 10.00 O ATOM 380 OD2 ASP A 51 -14.195 8.866 0.849 1.00 10.00 O ATOM 0 H ASP A 51 -10.197 11.036 2.902 1.00 10.00 H new ATOM 0 HA ASP A 51 -13.037 10.283 3.236 1.00 10.00 H new ATOM 0 HB2 ASP A 51 -12.333 10.613 0.878 1.00 10.00 H new ATOM 0 HB3 ASP A 51 -11.038 9.451 1.093 1.00 10.00 H new ATOM 385 N PRO A 52 -12.347 8.365 4.708 1.00 10.00 N ATOM 386 CA PRO A 52 -12.024 7.191 5.515 1.00 10.00 C ATOM 387 C PRO A 52 -12.470 5.891 4.864 1.00 10.00 C ATOM 388 O PRO A 52 -12.067 4.810 5.281 1.00 10.00 O ATOM 389 CB PRO A 52 -12.793 7.447 6.806 1.00 10.00 C ATOM 390 CG PRO A 52 -13.970 8.275 6.414 1.00 10.00 C ATOM 391 CD PRO A 52 -13.575 9.039 5.175 1.00 10.00 C ATOM 0 HA PRO A 52 -10.950 7.068 5.656 1.00 10.00 H new ATOM 0 HB2 PRO A 52 -13.108 6.511 7.267 1.00 10.00 H new ATOM 0 HB3 PRO A 52 -12.173 7.968 7.535 1.00 10.00 H new ATOM 0 HG2 PRO A 52 -14.838 7.645 6.219 1.00 10.00 H new ATOM 0 HG3 PRO A 52 -14.246 8.958 7.217 1.00 10.00 H new ATOM 0 HD2 PRO A 52 -14.360 9.005 4.419 1.00 10.00 H new ATOM 0 HD3 PRO A 52 -13.392 10.090 5.397 1.00 10.00 H new ATOM 399 N ALA A 53 -13.274 6.009 3.820 1.00 10.00 N ATOM 400 CA ALA A 53 -13.785 4.844 3.109 1.00 10.00 C ATOM 401 C ALA A 53 -12.660 4.122 2.377 1.00 10.00 C ATOM 402 O ALA A 53 -12.520 2.899 2.483 1.00 10.00 O ATOM 403 CB ALA A 53 -14.891 5.242 2.141 1.00 10.00 C ATOM 0 H ALA A 53 -13.589 6.903 3.443 1.00 10.00 H new ATOM 0 HA ALA A 53 -14.208 4.158 3.843 1.00 10.00 H new ATOM 0 HB1 ALA A 53 -15.257 4.356 1.622 1.00 10.00 H new ATOM 0 HB2 ALA A 53 -15.710 5.703 2.694 1.00 10.00 H new ATOM 0 HB3 ALA A 53 -14.499 5.953 1.413 1.00 10.00 H new ATOM 409 N THR A 54 -11.860 4.882 1.635 1.00 10.00 N ATOM 410 CA THR A 54 -10.736 4.321 0.897 1.00 10.00 C ATOM 411 C THR A 54 -9.677 3.784 1.860 1.00 10.00 C ATOM 412 O THR A 54 -9.014 2.782 1.582 1.00 10.00 O ATOM 413 CB THR A 54 -10.102 5.370 -0.038 1.00 10.00 C ATOM 414 OG1 THR A 54 -11.131 6.143 -0.668 1.00 10.00 O ATOM 415 CG2 THR A 54 -9.250 4.697 -1.106 1.00 10.00 C ATOM 0 H THR A 54 -11.971 5.890 1.530 1.00 10.00 H new ATOM 0 HA THR A 54 -11.118 3.501 0.289 1.00 10.00 H new ATOM 0 HB THR A 54 -9.465 6.022 0.560 1.00 10.00 H new ATOM 0 HG1 THR A 54 -11.395 6.880 -0.078 1.00 10.00 H new ATOM 0 HG21 THR A 54 -8.813 5.456 -1.754 1.00 10.00 H new ATOM 0 HG22 THR A 54 -8.454 4.125 -0.629 1.00 10.00 H new ATOM 0 HG23 THR A 54 -9.873 4.028 -1.700 1.00 10.00 H new ATOM 423 N TYR A 55 -9.545 4.438 3.009 1.00 10.00 N ATOM 424 CA TYR A 55 -8.575 4.023 4.017 1.00 10.00 C ATOM 425 C TYR A 55 -9.036 2.737 4.695 1.00 10.00 C ATOM 426 O TYR A 55 -8.247 1.816 4.908 1.00 10.00 O ATOM 427 CB TYR A 55 -8.376 5.124 5.064 1.00 10.00 C ATOM 428 CG TYR A 55 -7.359 4.770 6.127 1.00 10.00 C ATOM 429 CD1 TYR A 55 -6.010 4.657 5.814 1.00 10.00 C ATOM 430 CD2 TYR A 55 -7.746 4.547 7.444 1.00 10.00 C ATOM 431 CE1 TYR A 55 -5.076 4.332 6.780 1.00 10.00 C ATOM 432 CE2 TYR A 55 -6.819 4.221 8.415 1.00 10.00 C ATOM 433 CZ TYR A 55 -5.486 4.116 8.079 1.00 10.00 C ATOM 434 OH TYR A 55 -4.560 3.795 9.045 1.00 10.00 O ATOM 0 H TYR A 55 -10.097 5.257 3.266 1.00 10.00 H new ATOM 0 HA TYR A 55 -7.622 3.841 3.520 1.00 10.00 H new ATOM 0 HB2 TYR A 55 -8.062 6.039 4.562 1.00 10.00 H new ATOM 0 HB3 TYR A 55 -9.332 5.336 5.543 1.00 10.00 H new ATOM 0 HD1 TYR A 55 -5.685 4.826 4.798 1.00 10.00 H new ATOM 0 HD2 TYR A 55 -8.789 4.630 7.712 1.00 10.00 H new ATOM 0 HE1 TYR A 55 -4.031 4.248 6.519 1.00 10.00 H new ATOM 0 HE2 TYR A 55 -7.137 4.049 9.433 1.00 10.00 H new ATOM 0 HH TYR A 55 -5.013 3.677 9.906 1.00 10.00 H new ATOM 444 N ASN A 56 -10.321 2.678 5.021 1.00 10.00 N ATOM 445 CA ASN A 56 -10.896 1.508 5.668 1.00 10.00 C ATOM 446 C ASN A 56 -10.825 0.304 4.739 1.00 10.00 C ATOM 447 O ASN A 56 -10.549 -0.816 5.172 1.00 10.00 O ATOM 448 CB ASN A 56 -12.341 1.789 6.079 1.00 10.00 C ATOM 449 CG ASN A 56 -12.926 0.682 6.927 1.00 10.00 C ATOM 450 OD1 ASN A 56 -12.209 -0.016 7.636 1.00 10.00 O ATOM 451 ND2 ASN A 56 -14.233 0.519 6.862 1.00 10.00 N ATOM 0 H ASN A 56 -10.987 3.431 4.846 1.00 10.00 H new ATOM 0 HA ASN A 56 -10.320 1.283 6.566 1.00 10.00 H new ATOM 0 HB2 ASN A 56 -12.382 2.727 6.632 1.00 10.00 H new ATOM 0 HB3 ASN A 56 -12.951 1.919 5.185 1.00 10.00 H new ATOM 0 HD21 ASN A 56 -14.684 -0.210 7.415 1.00 10.00 H new ATOM 0 HD22 ASN A 56 -14.793 1.122 6.259 1.00 10.00 H new ATOM 458 N GLY A 57 -11.041 0.554 3.452 1.00 10.00 N ATOM 459 CA GLY A 57 -10.983 -0.506 2.466 1.00 10.00 C ATOM 460 C GLY A 57 -9.576 -1.040 2.303 1.00 10.00 C ATOM 461 O GLY A 57 -9.376 -2.195 1.928 1.00 10.00 O ATOM 0 H GLY A 57 -11.256 1.477 3.074 1.00 10.00 H new ATOM 0 HA2 GLY A 57 -11.648 -1.317 2.763 1.00 10.00 H new ATOM 0 HA3 GLY A 57 -11.344 -0.132 1.508 1.00 10.00 H new ATOM 465 N PHE A 58 -8.600 -0.188 2.590 1.00 10.00 N ATOM 466 CA PHE A 58 -7.197 -0.565 2.501 1.00 10.00 C ATOM 467 C PHE A 58 -6.871 -1.588 3.582 1.00 10.00 C ATOM 468 O PHE A 58 -6.106 -2.533 3.361 1.00 10.00 O ATOM 469 CB PHE A 58 -6.308 0.677 2.652 1.00 10.00 C ATOM 470 CG PHE A 58 -4.843 0.405 2.444 1.00 10.00 C ATOM 471 CD1 PHE A 58 -3.990 0.253 3.527 1.00 10.00 C ATOM 472 CD2 PHE A 58 -4.319 0.292 1.165 1.00 10.00 C ATOM 473 CE1 PHE A 58 -2.646 -0.008 3.338 1.00 10.00 C ATOM 474 CE2 PHE A 58 -2.978 0.034 0.969 1.00 10.00 C ATOM 475 CZ PHE A 58 -2.139 -0.117 2.058 1.00 10.00 C ATOM 0 H PHE A 58 -8.757 0.775 2.888 1.00 10.00 H new ATOM 0 HA PHE A 58 -7.005 -1.011 1.525 1.00 10.00 H new ATOM 0 HB2 PHE A 58 -6.632 1.433 1.937 1.00 10.00 H new ATOM 0 HB3 PHE A 58 -6.452 1.096 3.648 1.00 10.00 H new ATOM 0 HD1 PHE A 58 -4.381 0.340 4.530 1.00 10.00 H new ATOM 0 HD2 PHE A 58 -4.970 0.408 0.311 1.00 10.00 H new ATOM 0 HE1 PHE A 58 -1.993 -0.127 4.190 1.00 10.00 H new ATOM 0 HE2 PHE A 58 -2.584 -0.050 -0.033 1.00 10.00 H new ATOM 0 HZ PHE A 58 -1.089 -0.320 1.908 1.00 10.00 H new ATOM 485 N LEU A 59 -7.485 -1.410 4.748 1.00 10.00 N ATOM 486 CA LEU A 59 -7.272 -2.309 5.875 1.00 10.00 C ATOM 487 C LEU A 59 -7.816 -3.699 5.563 1.00 10.00 C ATOM 488 O LEU A 59 -7.220 -4.707 5.947 1.00 10.00 O ATOM 489 CB LEU A 59 -7.947 -1.760 7.137 1.00 10.00 C ATOM 490 CG LEU A 59 -7.463 -0.385 7.597 1.00 10.00 C ATOM 491 CD1 LEU A 59 -8.385 0.165 8.676 1.00 10.00 C ATOM 492 CD2 LEU A 59 -6.034 -0.467 8.112 1.00 10.00 C ATOM 0 H LEU A 59 -8.136 -0.648 4.936 1.00 10.00 H new ATOM 0 HA LEU A 59 -6.199 -2.381 6.051 1.00 10.00 H new ATOM 0 HB2 LEU A 59 -9.021 -1.707 6.960 1.00 10.00 H new ATOM 0 HB3 LEU A 59 -7.793 -2.471 7.949 1.00 10.00 H new ATOM 0 HG LEU A 59 -7.482 0.292 6.743 1.00 10.00 H new ATOM 0 HD11 LEU A 59 -8.029 1.145 8.994 1.00 10.00 H new ATOM 0 HD12 LEU A 59 -9.396 0.258 8.278 1.00 10.00 H new ATOM 0 HD13 LEU A 59 -8.392 -0.513 9.529 1.00 10.00 H new ATOM 0 HD21 LEU A 59 -5.706 0.521 8.435 1.00 10.00 H new ATOM 0 HD22 LEU A 59 -5.990 -1.157 8.954 1.00 10.00 H new ATOM 0 HD23 LEU A 59 -5.380 -0.824 7.316 1.00 10.00 H new ATOM 504 N GLU A 60 -8.939 -3.741 4.849 1.00 10.00 N ATOM 505 CA GLU A 60 -9.573 -5.004 4.475 1.00 10.00 C ATOM 506 C GLU A 60 -8.696 -5.782 3.503 1.00 10.00 C ATOM 507 O GLU A 60 -8.701 -7.013 3.505 1.00 10.00 O ATOM 508 CB GLU A 60 -10.947 -4.752 3.840 1.00 10.00 C ATOM 509 CG GLU A 60 -11.957 -4.138 4.799 1.00 10.00 C ATOM 510 CD GLU A 60 -12.158 -4.977 6.047 1.00 10.00 C ATOM 511 OE1 GLU A 60 -12.681 -6.104 5.934 1.00 10.00 O ATOM 512 OE2 GLU A 60 -11.799 -4.514 7.145 1.00 10.00 O ATOM 0 H GLU A 60 -9.431 -2.911 4.517 1.00 10.00 H new ATOM 0 HA GLU A 60 -9.703 -5.594 5.382 1.00 10.00 H new ATOM 0 HB2 GLU A 60 -10.826 -4.092 2.981 1.00 10.00 H new ATOM 0 HB3 GLU A 60 -11.343 -5.695 3.463 1.00 10.00 H new ATOM 0 HG2 GLU A 60 -11.622 -3.141 5.085 1.00 10.00 H new ATOM 0 HG3 GLU A 60 -12.912 -4.018 4.288 1.00 10.00 H new ATOM 519 N ILE A 61 -7.943 -5.058 2.681 1.00 10.00 N ATOM 520 CA ILE A 61 -7.055 -5.676 1.703 1.00 10.00 C ATOM 521 C ILE A 61 -5.943 -6.448 2.402 1.00 10.00 C ATOM 522 O ILE A 61 -5.613 -7.570 2.026 1.00 10.00 O ATOM 523 CB ILE A 61 -6.433 -4.617 0.766 1.00 10.00 C ATOM 524 CG1 ILE A 61 -7.525 -3.941 -0.068 1.00 10.00 C ATOM 525 CG2 ILE A 61 -5.377 -5.245 -0.139 1.00 10.00 C ATOM 526 CD1 ILE A 61 -7.007 -2.854 -0.983 1.00 10.00 C ATOM 0 H ILE A 61 -7.930 -4.038 2.673 1.00 10.00 H new ATOM 0 HA ILE A 61 -7.653 -6.364 1.106 1.00 10.00 H new ATOM 0 HB ILE A 61 -5.944 -3.860 1.379 1.00 10.00 H new ATOM 0 HG12 ILE A 61 -8.032 -4.697 -0.668 1.00 10.00 H new ATOM 0 HG13 ILE A 61 -8.270 -3.514 0.603 1.00 10.00 H new ATOM 0 HG21 ILE A 61 -4.954 -4.480 -0.789 1.00 10.00 H new ATOM 0 HG22 ILE A 61 -4.586 -5.680 0.472 1.00 10.00 H new ATOM 0 HG23 ILE A 61 -5.836 -6.025 -0.747 1.00 10.00 H new ATOM 0 HD11 ILE A 61 -7.838 -2.422 -1.541 1.00 10.00 H new ATOM 0 HD12 ILE A 61 -6.526 -2.077 -0.389 1.00 10.00 H new ATOM 0 HD13 ILE A 61 -6.284 -3.279 -1.679 1.00 10.00 H new ATOM 538 N MET A 62 -5.385 -5.849 3.443 1.00 10.00 N ATOM 539 CA MET A 62 -4.309 -6.476 4.201 1.00 10.00 C ATOM 540 C MET A 62 -4.812 -7.726 4.916 1.00 10.00 C ATOM 541 O MET A 62 -4.083 -8.707 5.052 1.00 10.00 O ATOM 542 CB MET A 62 -3.721 -5.494 5.214 1.00 10.00 C ATOM 543 CG MET A 62 -3.204 -4.213 4.582 1.00 10.00 C ATOM 544 SD MET A 62 -2.232 -3.215 5.720 1.00 10.00 S ATOM 545 CE MET A 62 -0.677 -4.109 5.717 1.00 10.00 C ATOM 0 H MET A 62 -5.659 -4.928 3.784 1.00 10.00 H new ATOM 0 HA MET A 62 -3.526 -6.766 3.500 1.00 10.00 H new ATOM 0 HB2 MET A 62 -4.484 -5.244 5.952 1.00 10.00 H new ATOM 0 HB3 MET A 62 -2.906 -5.981 5.750 1.00 10.00 H new ATOM 0 HG2 MET A 62 -2.594 -4.462 3.713 1.00 10.00 H new ATOM 0 HG3 MET A 62 -4.048 -3.625 4.221 1.00 10.00 H new ATOM 0 HE1 MET A 62 0.082 -3.521 6.232 1.00 10.00 H new ATOM 0 HE2 MET A 62 -0.805 -5.063 6.228 1.00 10.00 H new ATOM 0 HE3 MET A 62 -0.362 -4.287 4.689 1.00 10.00 H new ATOM 555 N LYS A 63 -6.072 -7.693 5.341 1.00 10.00 N ATOM 556 CA LYS A 63 -6.673 -8.822 6.045 1.00 10.00 C ATOM 557 C LYS A 63 -6.720 -10.067 5.164 1.00 10.00 C ATOM 558 O LYS A 63 -6.564 -11.186 5.650 1.00 10.00 O ATOM 559 CB LYS A 63 -8.080 -8.472 6.519 1.00 10.00 C ATOM 560 CG LYS A 63 -8.096 -7.406 7.596 1.00 10.00 C ATOM 561 CD LYS A 63 -9.504 -7.081 8.057 1.00 10.00 C ATOM 562 CE LYS A 63 -9.505 -5.938 9.061 1.00 10.00 C ATOM 563 NZ LYS A 63 -10.882 -5.505 9.409 1.00 10.00 N ATOM 0 H LYS A 63 -6.696 -6.897 5.210 1.00 10.00 H new ATOM 0 HA LYS A 63 -6.047 -9.038 6.911 1.00 10.00 H new ATOM 0 HB2 LYS A 63 -8.669 -8.129 5.668 1.00 10.00 H new ATOM 0 HB3 LYS A 63 -8.563 -9.372 6.900 1.00 10.00 H new ATOM 0 HG2 LYS A 63 -7.505 -7.743 8.448 1.00 10.00 H new ATOM 0 HG3 LYS A 63 -7.621 -6.501 7.217 1.00 10.00 H new ATOM 0 HD2 LYS A 63 -10.118 -6.814 7.197 1.00 10.00 H new ATOM 0 HD3 LYS A 63 -9.955 -7.965 8.508 1.00 10.00 H new ATOM 0 HE2 LYS A 63 -8.983 -6.250 9.966 1.00 10.00 H new ATOM 0 HE3 LYS A 63 -8.952 -5.093 8.649 1.00 10.00 H new ATOM 0 HZ1 LYS A 63 -10.859 -4.944 10.284 1.00 10.00 H new ATOM 0 HZ2 LYS A 63 -11.270 -4.926 8.637 1.00 10.00 H new ATOM 0 HZ3 LYS A 63 -11.484 -6.341 9.550 1.00 10.00 H new ATOM 577 N GLU A 64 -6.927 -9.863 3.866 1.00 10.00 N ATOM 578 CA GLU A 64 -6.992 -10.970 2.918 1.00 10.00 C ATOM 579 C GLU A 64 -5.626 -11.634 2.775 1.00 10.00 C ATOM 580 O GLU A 64 -5.527 -12.839 2.556 1.00 10.00 O ATOM 581 CB GLU A 64 -7.495 -10.486 1.555 1.00 10.00 C ATOM 582 CG GLU A 64 -8.896 -9.913 1.604 1.00 10.00 C ATOM 583 CD GLU A 64 -9.488 -9.730 0.223 1.00 10.00 C ATOM 584 OE1 GLU A 64 -10.427 -10.474 -0.132 1.00 10.00 O ATOM 585 OE2 GLU A 64 -9.020 -8.844 -0.516 1.00 10.00 O ATOM 0 H GLU A 64 -7.053 -8.941 3.447 1.00 10.00 H new ATOM 0 HA GLU A 64 -7.697 -11.707 3.303 1.00 10.00 H new ATOM 0 HB2 GLU A 64 -6.813 -9.727 1.172 1.00 10.00 H new ATOM 0 HB3 GLU A 64 -7.474 -11.318 0.851 1.00 10.00 H new ATOM 0 HG2 GLU A 64 -9.537 -10.574 2.187 1.00 10.00 H new ATOM 0 HG3 GLU A 64 -8.876 -8.953 2.119 1.00 10.00 H new ATOM 592 N PHE A 65 -4.572 -10.839 2.917 1.00 10.00 N ATOM 593 CA PHE A 65 -3.213 -11.350 2.810 1.00 10.00 C ATOM 594 C PHE A 65 -2.779 -12.003 4.120 1.00 10.00 C ATOM 595 O PHE A 65 -1.980 -12.937 4.120 1.00 10.00 O ATOM 596 CB PHE A 65 -2.243 -10.229 2.421 1.00 10.00 C ATOM 597 CG PHE A 65 -0.855 -10.712 2.114 1.00 10.00 C ATOM 598 CD1 PHE A 65 0.233 -10.183 2.784 1.00 10.00 C ATOM 599 CD2 PHE A 65 -0.637 -11.698 1.161 1.00 10.00 C ATOM 600 CE1 PHE A 65 1.513 -10.623 2.513 1.00 10.00 C ATOM 601 CE2 PHE A 65 0.643 -12.138 0.887 1.00 10.00 C ATOM 602 CZ PHE A 65 1.718 -11.600 1.564 1.00 10.00 C ATOM 0 H PHE A 65 -4.633 -9.839 3.106 1.00 10.00 H new ATOM 0 HA PHE A 65 -3.194 -12.107 2.026 1.00 10.00 H new ATOM 0 HB2 PHE A 65 -2.637 -9.706 1.550 1.00 10.00 H new ATOM 0 HB3 PHE A 65 -2.195 -9.504 3.234 1.00 10.00 H new ATOM 0 HD1 PHE A 65 0.079 -9.416 3.529 1.00 10.00 H new ATOM 0 HD2 PHE A 65 -1.475 -12.124 0.630 1.00 10.00 H new ATOM 0 HE1 PHE A 65 2.353 -10.201 3.045 1.00 10.00 H new ATOM 0 HE2 PHE A 65 0.803 -12.904 0.142 1.00 10.00 H new ATOM 0 HZ PHE A 65 2.719 -11.944 1.350 1.00 10.00 H new ATOM 612 N LYS A 66 -3.322 -11.517 5.233 1.00 10.00 N ATOM 613 CA LYS A 66 -2.995 -12.058 6.554 1.00 10.00 C ATOM 614 C LYS A 66 -3.339 -13.544 6.631 1.00 10.00 C ATOM 615 O LYS A 66 -2.583 -14.339 7.185 1.00 10.00 O ATOM 616 CB LYS A 66 -3.748 -11.297 7.646 1.00 10.00 C ATOM 617 CG LYS A 66 -3.273 -9.866 7.846 1.00 10.00 C ATOM 618 CD LYS A 66 -4.126 -9.134 8.871 1.00 10.00 C ATOM 619 CE LYS A 66 -3.641 -9.372 10.291 1.00 10.00 C ATOM 620 NZ LYS A 66 -2.491 -8.497 10.640 1.00 10.00 N ATOM 0 H LYS A 66 -3.992 -10.748 5.249 1.00 10.00 H new ATOM 0 HA LYS A 66 -1.923 -11.937 6.711 1.00 10.00 H new ATOM 0 HB2 LYS A 66 -4.810 -11.285 7.399 1.00 10.00 H new ATOM 0 HB3 LYS A 66 -3.646 -11.837 8.587 1.00 10.00 H new ATOM 0 HG2 LYS A 66 -2.233 -9.869 8.172 1.00 10.00 H new ATOM 0 HG3 LYS A 66 -3.308 -9.334 6.895 1.00 10.00 H new ATOM 0 HD2 LYS A 66 -4.111 -8.065 8.658 1.00 10.00 H new ATOM 0 HD3 LYS A 66 -5.161 -9.463 8.782 1.00 10.00 H new ATOM 0 HE2 LYS A 66 -4.459 -9.191 10.989 1.00 10.00 H new ATOM 0 HE3 LYS A 66 -3.350 -10.416 10.405 1.00 10.00 H new ATOM 0 HZ1 LYS A 66 -2.191 -8.691 11.617 1.00 10.00 H new ATOM 0 HZ2 LYS A 66 -1.701 -8.687 9.991 1.00 10.00 H new ATOM 0 HZ3 LYS A 66 -2.776 -7.500 10.557 1.00 10.00 H new ATOM 634 N SER A 67 -4.483 -13.910 6.065 1.00 10.00 N ATOM 635 CA SER A 67 -4.927 -15.298 6.067 1.00 10.00 C ATOM 636 C SER A 67 -4.381 -16.050 4.849 1.00 10.00 C ATOM 637 O SER A 67 -4.761 -17.195 4.587 1.00 10.00 O ATOM 638 CB SER A 67 -6.452 -15.346 6.083 1.00 10.00 C ATOM 639 OG SER A 67 -6.978 -14.352 6.950 1.00 10.00 O ATOM 0 H SER A 67 -5.120 -13.264 5.599 1.00 10.00 H new ATOM 0 HA SER A 67 -4.542 -15.788 6.961 1.00 10.00 H new ATOM 0 HB2 SER A 67 -6.836 -15.195 5.074 1.00 10.00 H new ATOM 0 HB3 SER A 67 -6.786 -16.332 6.407 1.00 10.00 H new ATOM 0 HG SER A 67 -7.957 -14.398 6.945 1.00 10.00 H new ATOM 645 N GLN A 68 -3.481 -15.388 4.116 1.00 10.00 N ATOM 646 CA GLN A 68 -2.850 -15.957 2.924 1.00 10.00 C ATOM 647 C GLN A 68 -3.895 -16.349 1.886 1.00 10.00 C ATOM 648 O GLN A 68 -3.696 -17.278 1.100 1.00 10.00 O ATOM 649 CB GLN A 68 -1.987 -17.168 3.300 1.00 10.00 C ATOM 650 CG GLN A 68 -0.829 -16.828 4.225 1.00 10.00 C ATOM 651 CD GLN A 68 -0.045 -18.054 4.655 1.00 10.00 C ATOM 652 OE1 GLN A 68 0.925 -18.451 4.008 1.00 10.00 O ATOM 653 NE2 GLN A 68 -0.466 -18.667 5.747 1.00 10.00 N ATOM 0 H GLN A 68 -3.170 -14.441 4.334 1.00 10.00 H new ATOM 0 HA GLN A 68 -2.207 -15.194 2.485 1.00 10.00 H new ATOM 0 HB2 GLN A 68 -2.617 -17.917 3.780 1.00 10.00 H new ATOM 0 HB3 GLN A 68 -1.593 -17.619 2.389 1.00 10.00 H new ATOM 0 HG2 GLN A 68 -0.159 -16.131 3.721 1.00 10.00 H new ATOM 0 HG3 GLN A 68 -1.213 -16.318 5.109 1.00 10.00 H new ATOM 0 HE21 GLN A 68 -1.274 -18.307 6.255 1.00 10.00 H new ATOM 0 HE22 GLN A 68 0.017 -19.501 6.082 1.00 10.00 H new ATOM 662 N SER A 69 -5.002 -15.621 1.870 1.00 10.00 N ATOM 663 CA SER A 69 -6.075 -15.894 0.932 1.00 10.00 C ATOM 664 C SER A 69 -5.727 -15.372 -0.457 1.00 10.00 C ATOM 665 O SER A 69 -6.236 -15.869 -1.462 1.00 10.00 O ATOM 666 CB SER A 69 -7.375 -15.264 1.434 1.00 10.00 C ATOM 667 OG SER A 69 -7.567 -15.530 2.818 1.00 10.00 O ATOM 0 H SER A 69 -5.178 -14.837 2.498 1.00 10.00 H new ATOM 0 HA SER A 69 -6.210 -16.973 0.860 1.00 10.00 H new ATOM 0 HB2 SER A 69 -7.350 -14.187 1.267 1.00 10.00 H new ATOM 0 HB3 SER A 69 -8.217 -15.656 0.864 1.00 10.00 H new ATOM 0 HG SER A 69 -8.403 -15.116 3.118 1.00 10.00 H new ATOM 673 N ILE A 70 -4.855 -14.378 -0.504 1.00 10.00 N ATOM 674 CA ILE A 70 -4.423 -13.799 -1.768 1.00 10.00 C ATOM 675 C ILE A 70 -2.908 -13.834 -1.868 1.00 10.00 C ATOM 676 O ILE A 70 -2.213 -14.009 -0.863 1.00 10.00 O ATOM 677 CB ILE A 70 -4.898 -12.337 -1.937 1.00 10.00 C ATOM 678 CG1 ILE A 70 -4.390 -11.466 -0.781 1.00 10.00 C ATOM 679 CG2 ILE A 70 -6.414 -12.273 -2.028 1.00 10.00 C ATOM 680 CD1 ILE A 70 -4.527 -9.977 -1.033 1.00 10.00 C ATOM 0 H ILE A 70 -4.431 -13.953 0.321 1.00 10.00 H new ATOM 0 HA ILE A 70 -4.873 -14.398 -2.560 1.00 10.00 H new ATOM 0 HB ILE A 70 -4.482 -11.949 -2.867 1.00 10.00 H new ATOM 0 HG12 ILE A 70 -4.939 -11.724 0.125 1.00 10.00 H new ATOM 0 HG13 ILE A 70 -3.341 -11.699 -0.596 1.00 10.00 H new ATOM 0 HG21 ILE A 70 -6.728 -11.236 -2.147 1.00 10.00 H new ATOM 0 HG22 ILE A 70 -6.752 -12.855 -2.886 1.00 10.00 H new ATOM 0 HG23 ILE A 70 -6.851 -12.682 -1.117 1.00 10.00 H new ATOM 0 HD11 ILE A 70 -4.147 -9.426 -0.173 1.00 10.00 H new ATOM 0 HD12 ILE A 70 -3.955 -9.704 -1.920 1.00 10.00 H new ATOM 0 HD13 ILE A 70 -5.577 -9.729 -1.188 1.00 10.00 H new ATOM 692 N ASP A 71 -2.404 -13.672 -3.081 1.00 10.00 N ATOM 693 CA ASP A 71 -0.968 -13.676 -3.323 1.00 10.00 C ATOM 694 C ASP A 71 -0.506 -12.288 -3.748 1.00 10.00 C ATOM 695 O ASP A 71 -1.285 -11.329 -3.710 1.00 10.00 O ATOM 696 CB ASP A 71 -0.610 -14.698 -4.409 1.00 10.00 C ATOM 697 CG ASP A 71 -0.660 -16.129 -3.914 1.00 10.00 C ATOM 698 OD1 ASP A 71 0.025 -16.446 -2.922 1.00 10.00 O ATOM 699 OD2 ASP A 71 -1.383 -16.950 -4.522 1.00 10.00 O ATOM 0 H ASP A 71 -2.971 -13.535 -3.918 1.00 10.00 H new ATOM 0 HA ASP A 71 -0.462 -13.955 -2.399 1.00 10.00 H new ATOM 0 HB2 ASP A 71 -1.297 -14.585 -5.247 1.00 10.00 H new ATOM 0 HB3 ASP A 71 0.390 -14.484 -4.786 1.00 10.00 H new ATOM 704 N THR A 72 0.756 -12.184 -4.152 1.00 10.00 N ATOM 705 CA THR A 72 1.324 -10.918 -4.594 1.00 10.00 C ATOM 706 C THR A 72 0.494 -10.281 -5.721 1.00 10.00 C ATOM 707 O THR A 72 0.076 -9.134 -5.595 1.00 10.00 O ATOM 708 CB THR A 72 2.782 -11.107 -5.046 1.00 10.00 C ATOM 709 OG1 THR A 72 3.428 -12.055 -4.190 1.00 10.00 O ATOM 710 CG2 THR A 72 3.543 -9.793 -5.008 1.00 10.00 C ATOM 0 H THR A 72 1.408 -12.968 -4.182 1.00 10.00 H new ATOM 0 HA THR A 72 1.303 -10.238 -3.743 1.00 10.00 H new ATOM 0 HB THR A 72 2.777 -11.472 -6.073 1.00 10.00 H new ATOM 0 HG1 THR A 72 4.357 -12.177 -4.479 1.00 10.00 H new ATOM 0 HG21 THR A 72 4.570 -9.958 -5.333 1.00 10.00 H new ATOM 0 HG22 THR A 72 3.063 -9.075 -5.673 1.00 10.00 H new ATOM 0 HG23 THR A 72 3.542 -9.401 -3.991 1.00 10.00 H new ATOM 718 N PRO A 73 0.227 -11.000 -6.836 1.00 10.00 N ATOM 719 CA PRO A 73 -0.569 -10.448 -7.941 1.00 10.00 C ATOM 720 C PRO A 73 -2.003 -10.129 -7.511 1.00 10.00 C ATOM 721 O PRO A 73 -2.653 -9.244 -8.069 1.00 10.00 O ATOM 722 CB PRO A 73 -0.557 -11.566 -8.989 1.00 10.00 C ATOM 723 CG PRO A 73 -0.228 -12.804 -8.238 1.00 10.00 C ATOM 724 CD PRO A 73 0.682 -12.376 -7.129 1.00 10.00 C ATOM 0 HA PRO A 73 -0.162 -9.506 -8.308 1.00 10.00 H new ATOM 0 HB2 PRO A 73 -1.524 -11.652 -9.484 1.00 10.00 H new ATOM 0 HB3 PRO A 73 0.182 -11.369 -9.766 1.00 10.00 H new ATOM 0 HG2 PRO A 73 -1.129 -13.275 -7.845 1.00 10.00 H new ATOM 0 HG3 PRO A 73 0.258 -13.536 -8.883 1.00 10.00 H new ATOM 0 HD2 PRO A 73 0.590 -13.025 -6.258 1.00 10.00 H new ATOM 0 HD3 PRO A 73 1.728 -12.399 -7.434 1.00 10.00 H new ATOM 732 N GLY A 74 -2.471 -10.839 -6.493 1.00 10.00 N ATOM 733 CA GLY A 74 -3.817 -10.638 -5.995 1.00 10.00 C ATOM 734 C GLY A 74 -3.984 -9.307 -5.292 1.00 10.00 C ATOM 735 O GLY A 74 -4.992 -8.622 -5.486 1.00 10.00 O ATOM 0 H GLY A 74 -1.938 -11.555 -6.000 1.00 10.00 H new ATOM 0 HA2 GLY A 74 -4.521 -10.697 -6.825 1.00 10.00 H new ATOM 0 HA3 GLY A 74 -4.070 -11.443 -5.305 1.00 10.00 H new ATOM 739 N VAL A 75 -2.995 -8.928 -4.482 1.00 10.00 N ATOM 740 CA VAL A 75 -3.050 -7.661 -3.758 1.00 10.00 C ATOM 741 C VAL A 75 -3.010 -6.486 -4.737 1.00 10.00 C ATOM 742 O VAL A 75 -3.594 -5.434 -4.480 1.00 10.00 O ATOM 743 CB VAL A 75 -1.903 -7.531 -2.718 1.00 10.00 C ATOM 744 CG1 VAL A 75 -0.579 -7.165 -3.376 1.00 10.00 C ATOM 745 CG2 VAL A 75 -2.260 -6.512 -1.649 1.00 10.00 C ATOM 0 H VAL A 75 -2.152 -9.477 -4.312 1.00 10.00 H new ATOM 0 HA VAL A 75 -3.992 -7.642 -3.210 1.00 10.00 H new ATOM 0 HB VAL A 75 -1.780 -8.507 -2.249 1.00 10.00 H new ATOM 0 HG11 VAL A 75 0.196 -7.084 -2.614 1.00 10.00 H new ATOM 0 HG12 VAL A 75 -0.303 -7.938 -4.093 1.00 10.00 H new ATOM 0 HG13 VAL A 75 -0.681 -6.211 -3.893 1.00 10.00 H new ATOM 0 HG21 VAL A 75 -1.443 -6.437 -0.931 1.00 10.00 H new ATOM 0 HG22 VAL A 75 -2.426 -5.540 -2.114 1.00 10.00 H new ATOM 0 HG23 VAL A 75 -3.168 -6.827 -1.134 1.00 10.00 H new ATOM 755 N ILE A 76 -2.349 -6.689 -5.872 1.00 10.00 N ATOM 756 CA ILE A 76 -2.242 -5.658 -6.895 1.00 10.00 C ATOM 757 C ILE A 76 -3.622 -5.314 -7.442 1.00 10.00 C ATOM 758 O ILE A 76 -3.961 -4.144 -7.616 1.00 10.00 O ATOM 759 CB ILE A 76 -1.321 -6.103 -8.052 1.00 10.00 C ATOM 760 CG1 ILE A 76 0.071 -6.444 -7.510 1.00 10.00 C ATOM 761 CG2 ILE A 76 -1.240 -5.015 -9.121 1.00 10.00 C ATOM 762 CD1 ILE A 76 1.034 -6.922 -8.571 1.00 10.00 C ATOM 0 H ILE A 76 -1.878 -7.563 -6.106 1.00 10.00 H new ATOM 0 HA ILE A 76 -1.803 -4.775 -6.430 1.00 10.00 H new ATOM 0 HB ILE A 76 -1.740 -6.996 -8.515 1.00 10.00 H new ATOM 0 HG12 ILE A 76 0.488 -5.562 -7.024 1.00 10.00 H new ATOM 0 HG13 ILE A 76 -0.025 -7.215 -6.745 1.00 10.00 H new ATOM 0 HG21 ILE A 76 -0.587 -5.346 -9.928 1.00 10.00 H new ATOM 0 HG22 ILE A 76 -2.236 -4.820 -9.517 1.00 10.00 H new ATOM 0 HG23 ILE A 76 -0.839 -4.102 -8.681 1.00 10.00 H new ATOM 0 HD11 ILE A 76 1.998 -7.144 -8.114 1.00 10.00 H new ATOM 0 HD12 ILE A 76 0.639 -7.822 -9.042 1.00 10.00 H new ATOM 0 HD13 ILE A 76 1.160 -6.145 -9.324 1.00 10.00 H new ATOM 774 N ARG A 77 -4.421 -6.351 -7.675 1.00 10.00 N ATOM 775 CA ARG A 77 -5.776 -6.188 -8.187 1.00 10.00 C ATOM 776 C ARG A 77 -6.612 -5.393 -7.197 1.00 10.00 C ATOM 777 O ARG A 77 -7.396 -4.527 -7.583 1.00 10.00 O ATOM 778 CB ARG A 77 -6.413 -7.559 -8.442 1.00 10.00 C ATOM 779 CG ARG A 77 -7.847 -7.494 -8.958 1.00 10.00 C ATOM 780 CD ARG A 77 -8.339 -8.861 -9.402 1.00 10.00 C ATOM 781 NE ARG A 77 -8.315 -9.841 -8.313 1.00 10.00 N ATOM 782 CZ ARG A 77 -7.784 -11.059 -8.412 1.00 10.00 C ATOM 783 NH1 ARG A 77 -7.240 -11.451 -9.553 1.00 10.00 N ATOM 784 NH2 ARG A 77 -7.802 -11.883 -7.371 1.00 10.00 N ATOM 0 H ARG A 77 -4.149 -7.321 -7.515 1.00 10.00 H new ATOM 0 HA ARG A 77 -5.736 -5.643 -9.130 1.00 10.00 H new ATOM 0 HB2 ARG A 77 -5.803 -8.102 -9.164 1.00 10.00 H new ATOM 0 HB3 ARG A 77 -6.397 -8.133 -7.515 1.00 10.00 H new ATOM 0 HG2 ARG A 77 -8.500 -7.107 -8.175 1.00 10.00 H new ATOM 0 HG3 ARG A 77 -7.903 -6.796 -9.794 1.00 10.00 H new ATOM 0 HD2 ARG A 77 -9.355 -8.772 -9.785 1.00 10.00 H new ATOM 0 HD3 ARG A 77 -7.719 -9.219 -10.224 1.00 10.00 H new ATOM 0 HE ARG A 77 -8.732 -9.573 -7.421 1.00 10.00 H new ATOM 0 HH11 ARG A 77 -7.228 -10.821 -10.355 1.00 10.00 H new ATOM 0 HH12 ARG A 77 -6.833 -12.383 -9.630 1.00 10.00 H new ATOM 0 HH21 ARG A 77 -8.223 -11.584 -6.491 1.00 10.00 H new ATOM 0 HH22 ARG A 77 -7.394 -12.815 -7.451 1.00 10.00 H new ATOM 798 N ARG A 78 -6.420 -5.677 -5.916 1.00 10.00 N ATOM 799 CA ARG A 78 -7.148 -4.985 -4.861 1.00 10.00 C ATOM 800 C ARG A 78 -6.748 -3.516 -4.796 1.00 10.00 C ATOM 801 O ARG A 78 -7.605 -2.635 -4.722 1.00 10.00 O ATOM 802 CB ARG A 78 -6.887 -5.650 -3.512 1.00 10.00 C ATOM 803 CG ARG A 78 -7.714 -6.897 -3.285 1.00 10.00 C ATOM 804 CD ARG A 78 -9.205 -6.600 -3.357 1.00 10.00 C ATOM 805 NE ARG A 78 -9.994 -7.572 -2.602 1.00 10.00 N ATOM 806 CZ ARG A 78 -11.272 -7.838 -2.831 1.00 10.00 C ATOM 807 NH1 ARG A 78 -11.922 -7.217 -3.807 1.00 10.00 N ATOM 808 NH2 ARG A 78 -11.894 -8.736 -2.086 1.00 10.00 N ATOM 0 H ARG A 78 -5.765 -6.384 -5.582 1.00 10.00 H new ATOM 0 HA ARG A 78 -8.212 -5.046 -5.091 1.00 10.00 H new ATOM 0 HB2 ARG A 78 -5.830 -5.906 -3.440 1.00 10.00 H new ATOM 0 HB3 ARG A 78 -7.096 -4.935 -2.716 1.00 10.00 H new ATOM 0 HG2 ARG A 78 -7.455 -7.647 -4.032 1.00 10.00 H new ATOM 0 HG3 ARG A 78 -7.473 -7.322 -2.310 1.00 10.00 H new ATOM 0 HD2 ARG A 78 -9.394 -5.599 -2.969 1.00 10.00 H new ATOM 0 HD3 ARG A 78 -9.526 -6.604 -4.399 1.00 10.00 H new ATOM 0 HE ARG A 78 -9.530 -8.079 -1.849 1.00 10.00 H new ATOM 0 HH11 ARG A 78 -11.438 -6.531 -4.386 1.00 10.00 H new ATOM 0 HH12 ARG A 78 -12.906 -7.426 -3.978 1.00 10.00 H new ATOM 0 HH21 ARG A 78 -11.390 -9.218 -1.342 1.00 10.00 H new ATOM 0 HH22 ARG A 78 -12.878 -8.947 -2.256 1.00 10.00 H new ATOM 822 N VAL A 79 -5.446 -3.261 -4.827 1.00 10.00 N ATOM 823 CA VAL A 79 -4.927 -1.900 -4.770 1.00 10.00 C ATOM 824 C VAL A 79 -5.311 -1.112 -6.021 1.00 10.00 C ATOM 825 O VAL A 79 -5.748 0.035 -5.930 1.00 10.00 O ATOM 826 CB VAL A 79 -3.389 -1.906 -4.607 1.00 10.00 C ATOM 827 CG1 VAL A 79 -2.801 -0.519 -4.813 1.00 10.00 C ATOM 828 CG2 VAL A 79 -3.002 -2.441 -3.239 1.00 10.00 C ATOM 0 H VAL A 79 -4.727 -3.982 -4.892 1.00 10.00 H new ATOM 0 HA VAL A 79 -5.373 -1.414 -3.902 1.00 10.00 H new ATOM 0 HB VAL A 79 -2.978 -2.562 -5.375 1.00 10.00 H new ATOM 0 HG11 VAL A 79 -1.719 -0.561 -4.691 1.00 10.00 H new ATOM 0 HG12 VAL A 79 -3.040 -0.168 -5.817 1.00 10.00 H new ATOM 0 HG13 VAL A 79 -3.223 0.168 -4.079 1.00 10.00 H new ATOM 0 HG21 VAL A 79 -1.916 -2.438 -3.141 1.00 10.00 H new ATOM 0 HG22 VAL A 79 -3.438 -1.809 -2.465 1.00 10.00 H new ATOM 0 HG23 VAL A 79 -3.374 -3.460 -3.128 1.00 10.00 H new ATOM 838 N SER A 80 -5.172 -1.748 -7.178 1.00 10.00 N ATOM 839 CA SER A 80 -5.489 -1.119 -8.453 1.00 10.00 C ATOM 840 C SER A 80 -6.959 -0.706 -8.515 1.00 10.00 C ATOM 841 O SER A 80 -7.293 0.346 -9.058 1.00 10.00 O ATOM 842 CB SER A 80 -5.153 -2.075 -9.607 1.00 10.00 C ATOM 843 OG SER A 80 -4.697 -1.371 -10.754 1.00 10.00 O ATOM 0 H SER A 80 -4.838 -2.709 -7.258 1.00 10.00 H new ATOM 0 HA SER A 80 -4.884 -0.217 -8.549 1.00 10.00 H new ATOM 0 HB2 SER A 80 -4.387 -2.781 -9.284 1.00 10.00 H new ATOM 0 HB3 SER A 80 -6.036 -2.659 -9.865 1.00 10.00 H new ATOM 0 HG SER A 80 -4.490 -2.009 -11.469 1.00 10.00 H new ATOM 849 N GLN A 81 -7.834 -1.531 -7.956 1.00 10.00 N ATOM 850 CA GLN A 81 -9.260 -1.235 -7.957 1.00 10.00 C ATOM 851 C GLN A 81 -9.619 -0.220 -6.871 1.00 10.00 C ATOM 852 O GLN A 81 -10.602 0.512 -6.999 1.00 10.00 O ATOM 853 CB GLN A 81 -10.072 -2.513 -7.761 1.00 10.00 C ATOM 854 CG GLN A 81 -10.176 -3.372 -9.012 1.00 10.00 C ATOM 855 CD GLN A 81 -11.006 -2.720 -10.102 1.00 10.00 C ATOM 856 OE1 GLN A 81 -12.233 -2.809 -10.095 1.00 10.00 O ATOM 857 NE2 GLN A 81 -10.348 -2.078 -11.055 1.00 10.00 N ATOM 0 H GLN A 81 -7.583 -2.407 -7.498 1.00 10.00 H new ATOM 0 HA GLN A 81 -9.505 -0.800 -8.926 1.00 10.00 H new ATOM 0 HB2 GLN A 81 -9.618 -3.102 -6.964 1.00 10.00 H new ATOM 0 HB3 GLN A 81 -11.076 -2.247 -7.429 1.00 10.00 H new ATOM 0 HG2 GLN A 81 -9.175 -3.573 -9.394 1.00 10.00 H new ATOM 0 HG3 GLN A 81 -10.617 -4.334 -8.752 1.00 10.00 H new ATOM 0 HE21 GLN A 81 -9.330 -2.026 -11.026 1.00 10.00 H new ATOM 0 HE22 GLN A 81 -10.859 -1.635 -11.818 1.00 10.00 H new ATOM 866 N LEU A 82 -8.827 -0.186 -5.804 1.00 10.00 N ATOM 867 CA LEU A 82 -9.058 0.746 -4.706 1.00 10.00 C ATOM 868 C LEU A 82 -8.608 2.149 -5.098 1.00 10.00 C ATOM 869 O LEU A 82 -9.369 3.111 -4.987 1.00 10.00 O ATOM 870 CB LEU A 82 -8.310 0.291 -3.448 1.00 10.00 C ATOM 871 CG LEU A 82 -8.563 1.141 -2.201 1.00 10.00 C ATOM 872 CD1 LEU A 82 -9.982 0.947 -1.694 1.00 10.00 C ATOM 873 CD2 LEU A 82 -7.563 0.801 -1.114 1.00 10.00 C ATOM 0 H LEU A 82 -8.018 -0.794 -5.676 1.00 10.00 H new ATOM 0 HA LEU A 82 -10.127 0.764 -4.491 1.00 10.00 H new ATOM 0 HB2 LEU A 82 -8.591 -0.739 -3.230 1.00 10.00 H new ATOM 0 HB3 LEU A 82 -7.241 0.292 -3.659 1.00 10.00 H new ATOM 0 HG LEU A 82 -8.437 2.189 -2.473 1.00 10.00 H new ATOM 0 HD11 LEU A 82 -10.139 1.561 -0.807 1.00 10.00 H new ATOM 0 HD12 LEU A 82 -10.689 1.242 -2.469 1.00 10.00 H new ATOM 0 HD13 LEU A 82 -10.138 -0.102 -1.441 1.00 10.00 H new ATOM 0 HD21 LEU A 82 -7.758 1.415 -0.235 1.00 10.00 H new ATOM 0 HD22 LEU A 82 -7.657 -0.252 -0.849 1.00 10.00 H new ATOM 0 HD23 LEU A 82 -6.553 0.995 -1.475 1.00 10.00 H new ATOM 885 N PHE A 83 -7.374 2.259 -5.574 1.00 10.00 N ATOM 886 CA PHE A 83 -6.820 3.543 -5.987 1.00 10.00 C ATOM 887 C PHE A 83 -7.080 3.776 -7.471 1.00 10.00 C ATOM 888 O PHE A 83 -6.184 4.161 -8.223 1.00 10.00 O ATOM 889 CB PHE A 83 -5.313 3.597 -5.710 1.00 10.00 C ATOM 890 CG PHE A 83 -4.937 3.384 -4.266 1.00 10.00 C ATOM 891 CD1 PHE A 83 -5.791 3.755 -3.236 1.00 10.00 C ATOM 892 CD2 PHE A 83 -3.716 2.817 -3.940 1.00 10.00 C ATOM 893 CE1 PHE A 83 -5.432 3.561 -1.915 1.00 10.00 C ATOM 894 CE2 PHE A 83 -3.354 2.621 -2.622 1.00 10.00 C ATOM 895 CZ PHE A 83 -4.212 2.994 -1.609 1.00 10.00 C ATOM 0 H PHE A 83 -6.735 1.471 -5.684 1.00 10.00 H new ATOM 0 HA PHE A 83 -7.310 4.327 -5.410 1.00 10.00 H new ATOM 0 HB2 PHE A 83 -4.817 2.840 -6.317 1.00 10.00 H new ATOM 0 HB3 PHE A 83 -4.931 4.565 -6.033 1.00 10.00 H new ATOM 0 HD1 PHE A 83 -6.747 4.200 -3.469 1.00 10.00 H new ATOM 0 HD2 PHE A 83 -3.038 2.524 -4.728 1.00 10.00 H new ATOM 0 HE1 PHE A 83 -6.106 3.853 -1.123 1.00 10.00 H new ATOM 0 HE2 PHE A 83 -2.399 2.176 -2.385 1.00 10.00 H new ATOM 0 HZ PHE A 83 -3.929 2.843 -0.578 1.00 10.00 H new ATOM 905 N HIS A 84 -8.323 3.570 -7.878 1.00 10.00 N ATOM 906 CA HIS A 84 -8.716 3.732 -9.279 1.00 10.00 C ATOM 907 C HIS A 84 -8.669 5.199 -9.716 1.00 10.00 C ATOM 908 O HIS A 84 -8.810 5.502 -10.901 1.00 10.00 O ATOM 909 CB HIS A 84 -10.122 3.158 -9.517 1.00 10.00 C ATOM 910 CG HIS A 84 -11.209 3.813 -8.712 1.00 10.00 C ATOM 911 ND1 HIS A 84 -12.047 4.753 -9.265 1.00 10.00 N ATOM 912 CD2 HIS A 84 -11.543 3.639 -7.409 1.00 10.00 C ATOM 913 CE1 HIS A 84 -12.867 5.126 -8.292 1.00 10.00 C ATOM 914 NE2 HIS A 84 -12.598 4.476 -7.155 1.00 10.00 N ATOM 0 H HIS A 84 -9.083 3.289 -7.259 1.00 10.00 H new ATOM 0 HA HIS A 84 -7.997 3.178 -9.883 1.00 10.00 H new ATOM 0 HB2 HIS A 84 -10.364 3.253 -10.575 1.00 10.00 H new ATOM 0 HB3 HIS A 84 -10.109 2.093 -9.287 1.00 10.00 H new ATOM 0 HD2 HIS A 84 -11.069 2.970 -6.707 1.00 10.00 H new ATOM 0 HE1 HIS A 84 -13.651 5.860 -8.404 1.00 10.00 H new ATOM 0 HE2 HIS A 84 -13.086 4.583 -6.266 1.00 10.00 H new ATOM 922 N GLU A 85 -8.474 6.099 -8.757 1.00 10.00 N ATOM 923 CA GLU A 85 -8.403 7.526 -9.046 1.00 10.00 C ATOM 924 C GLU A 85 -6.985 8.055 -8.850 1.00 10.00 C ATOM 925 O GLU A 85 -6.664 9.171 -9.264 1.00 10.00 O ATOM 926 CB GLU A 85 -9.368 8.297 -8.146 1.00 10.00 C ATOM 927 CG GLU A 85 -10.826 8.170 -8.562 1.00 10.00 C ATOM 928 CD GLU A 85 -11.119 8.893 -9.860 1.00 10.00 C ATOM 929 OE1 GLU A 85 -11.013 8.262 -10.933 1.00 10.00 O ATOM 930 OE2 GLU A 85 -11.452 10.094 -9.819 1.00 10.00 O ATOM 0 H GLU A 85 -8.362 5.864 -7.771 1.00 10.00 H new ATOM 0 HA GLU A 85 -8.687 7.672 -10.088 1.00 10.00 H new ATOM 0 HB2 GLU A 85 -9.259 7.940 -7.122 1.00 10.00 H new ATOM 0 HB3 GLU A 85 -9.089 9.351 -8.148 1.00 10.00 H new ATOM 0 HG2 GLU A 85 -11.080 7.116 -8.671 1.00 10.00 H new ATOM 0 HG3 GLU A 85 -11.463 8.571 -7.774 1.00 10.00 H new ATOM 937 N HIS A 86 -6.131 7.243 -8.231 1.00 10.00 N ATOM 938 CA HIS A 86 -4.755 7.651 -7.958 1.00 10.00 C ATOM 939 C HIS A 86 -3.766 6.581 -8.415 1.00 10.00 C ATOM 940 O HIS A 86 -3.282 5.789 -7.605 1.00 10.00 O ATOM 941 CB HIS A 86 -4.563 7.917 -6.455 1.00 10.00 C ATOM 942 CG HIS A 86 -5.596 8.821 -5.857 1.00 10.00 C ATOM 943 ND1 HIS A 86 -6.753 8.318 -5.313 1.00 10.00 N ATOM 944 CD2 HIS A 86 -5.608 10.170 -5.749 1.00 10.00 C ATOM 945 CE1 HIS A 86 -7.441 9.364 -4.891 1.00 10.00 C ATOM 946 NE2 HIS A 86 -6.785 10.506 -5.133 1.00 10.00 N ATOM 0 H HIS A 86 -6.366 6.304 -7.910 1.00 10.00 H new ATOM 0 HA HIS A 86 -4.563 8.568 -8.516 1.00 10.00 H new ATOM 0 HB2 HIS A 86 -4.577 6.965 -5.924 1.00 10.00 H new ATOM 0 HB3 HIS A 86 -3.577 8.355 -6.298 1.00 10.00 H new ATOM 0 HD2 HIS A 86 -4.839 10.850 -6.084 1.00 10.00 H new ATOM 0 HE1 HIS A 86 -8.408 9.306 -4.413 1.00 10.00 H new ATOM 0 HE2 HIS A 86 -7.102 11.448 -4.902 1.00 10.00 H new ATOM 954 N PRO A 87 -3.446 6.544 -9.720 1.00 10.00 N ATOM 955 CA PRO A 87 -2.510 5.558 -10.278 1.00 10.00 C ATOM 956 C PRO A 87 -1.108 5.693 -9.690 1.00 10.00 C ATOM 957 O PRO A 87 -0.367 4.715 -9.586 1.00 10.00 O ATOM 958 CB PRO A 87 -2.497 5.880 -11.778 1.00 10.00 C ATOM 959 CG PRO A 87 -3.008 7.271 -11.890 1.00 10.00 C ATOM 960 CD PRO A 87 -3.979 7.445 -10.761 1.00 10.00 C ATOM 0 HA PRO A 87 -2.816 4.536 -10.054 1.00 10.00 H new ATOM 0 HB2 PRO A 87 -1.491 5.797 -12.188 1.00 10.00 H new ATOM 0 HB3 PRO A 87 -3.126 5.185 -12.334 1.00 10.00 H new ATOM 0 HG2 PRO A 87 -2.194 7.993 -11.820 1.00 10.00 H new ATOM 0 HG3 PRO A 87 -3.495 7.432 -12.852 1.00 10.00 H new ATOM 0 HD2 PRO A 87 -4.018 8.479 -10.418 1.00 10.00 H new ATOM 0 HD3 PRO A 87 -4.992 7.168 -11.054 1.00 10.00 H new ATOM 968 N ASP A 88 -0.767 6.913 -9.295 1.00 10.00 N ATOM 969 CA ASP A 88 0.540 7.214 -8.715 1.00 10.00 C ATOM 970 C ASP A 88 0.800 6.383 -7.465 1.00 10.00 C ATOM 971 O ASP A 88 1.923 5.945 -7.222 1.00 10.00 O ATOM 972 CB ASP A 88 0.639 8.705 -8.366 1.00 10.00 C ATOM 973 CG ASP A 88 0.405 9.612 -9.560 1.00 10.00 C ATOM 974 OD1 ASP A 88 1.346 10.328 -9.967 1.00 10.00 O ATOM 975 OD2 ASP A 88 -0.723 9.625 -10.095 1.00 10.00 O ATOM 0 H ASP A 88 -1.385 7.721 -9.366 1.00 10.00 H new ATOM 0 HA ASP A 88 1.295 6.962 -9.460 1.00 10.00 H new ATOM 0 HB2 ASP A 88 -0.090 8.940 -7.590 1.00 10.00 H new ATOM 0 HB3 ASP A 88 1.625 8.910 -7.949 1.00 10.00 H new ATOM 980 N LEU A 89 -0.243 6.155 -6.682 1.00 10.00 N ATOM 981 CA LEU A 89 -0.111 5.379 -5.453 1.00 10.00 C ATOM 982 C LEU A 89 0.008 3.889 -5.754 1.00 10.00 C ATOM 983 O LEU A 89 0.655 3.148 -5.012 1.00 10.00 O ATOM 984 CB LEU A 89 -1.298 5.641 -4.524 1.00 10.00 C ATOM 985 CG LEU A 89 -1.388 7.070 -3.977 1.00 10.00 C ATOM 986 CD1 LEU A 89 -2.665 7.250 -3.172 1.00 10.00 C ATOM 987 CD2 LEU A 89 -0.171 7.399 -3.124 1.00 10.00 C ATOM 0 H LEU A 89 -1.186 6.493 -6.872 1.00 10.00 H new ATOM 0 HA LEU A 89 0.803 5.697 -4.952 1.00 10.00 H new ATOM 0 HB2 LEU A 89 -2.218 5.415 -5.062 1.00 10.00 H new ATOM 0 HB3 LEU A 89 -1.242 4.949 -3.684 1.00 10.00 H new ATOM 0 HG LEU A 89 -1.409 7.759 -4.822 1.00 10.00 H new ATOM 0 HD11 LEU A 89 -2.714 8.270 -2.790 1.00 10.00 H new ATOM 0 HD12 LEU A 89 -3.528 7.060 -3.811 1.00 10.00 H new ATOM 0 HD13 LEU A 89 -2.670 6.550 -2.337 1.00 10.00 H new ATOM 0 HD21 LEU A 89 -0.256 8.418 -2.746 1.00 10.00 H new ATOM 0 HD22 LEU A 89 -0.116 6.705 -2.286 1.00 10.00 H new ATOM 0 HD23 LEU A 89 0.732 7.310 -3.728 1.00 10.00 H new ATOM 999 N ILE A 90 -0.609 3.453 -6.845 1.00 10.00 N ATOM 1000 CA ILE A 90 -0.554 2.052 -7.240 1.00 10.00 C ATOM 1001 C ILE A 90 0.859 1.707 -7.690 1.00 10.00 C ATOM 1002 O ILE A 90 1.425 0.683 -7.299 1.00 10.00 O ATOM 1003 CB ILE A 90 -1.543 1.737 -8.387 1.00 10.00 C ATOM 1004 CG1 ILE A 90 -2.943 2.241 -8.045 1.00 10.00 C ATOM 1005 CG2 ILE A 90 -1.571 0.242 -8.666 1.00 10.00 C ATOM 1006 CD1 ILE A 90 -3.930 2.080 -9.183 1.00 10.00 C ATOM 0 H ILE A 90 -1.152 4.048 -7.471 1.00 10.00 H new ATOM 0 HA ILE A 90 -0.837 1.452 -6.375 1.00 10.00 H new ATOM 0 HB ILE A 90 -1.203 2.253 -9.285 1.00 10.00 H new ATOM 0 HG12 ILE A 90 -3.313 1.702 -7.173 1.00 10.00 H new ATOM 0 HG13 ILE A 90 -2.886 3.294 -7.769 1.00 10.00 H new ATOM 0 HG21 ILE A 90 -2.271 0.036 -9.475 1.00 10.00 H new ATOM 0 HG22 ILE A 90 -0.575 -0.093 -8.954 1.00 10.00 H new ATOM 0 HG23 ILE A 90 -1.887 -0.290 -7.769 1.00 10.00 H new ATOM 0 HD11 ILE A 90 -4.905 2.457 -8.875 1.00 10.00 H new ATOM 0 HD12 ILE A 90 -3.581 2.642 -10.050 1.00 10.00 H new ATOM 0 HD13 ILE A 90 -4.015 1.025 -9.444 1.00 10.00 H new ATOM 1018 N VAL A 91 1.419 2.578 -8.515 1.00 10.00 N ATOM 1019 CA VAL A 91 2.771 2.402 -9.019 1.00 10.00 C ATOM 1020 C VAL A 91 3.774 2.613 -7.889 1.00 10.00 C ATOM 1021 O VAL A 91 4.785 1.919 -7.803 1.00 10.00 O ATOM 1022 CB VAL A 91 3.074 3.374 -10.183 1.00 10.00 C ATOM 1023 CG1 VAL A 91 4.463 3.120 -10.755 1.00 10.00 C ATOM 1024 CG2 VAL A 91 2.018 3.249 -11.270 1.00 10.00 C ATOM 0 H VAL A 91 0.953 3.420 -8.852 1.00 10.00 H new ATOM 0 HA VAL A 91 2.859 1.385 -9.402 1.00 10.00 H new ATOM 0 HB VAL A 91 3.049 4.391 -9.792 1.00 10.00 H new ATOM 0 HG11 VAL A 91 4.653 3.816 -11.572 1.00 10.00 H new ATOM 0 HG12 VAL A 91 5.210 3.265 -9.974 1.00 10.00 H new ATOM 0 HG13 VAL A 91 4.521 2.098 -11.128 1.00 10.00 H new ATOM 0 HG21 VAL A 91 2.247 3.940 -12.081 1.00 10.00 H new ATOM 0 HG22 VAL A 91 2.010 2.229 -11.654 1.00 10.00 H new ATOM 0 HG23 VAL A 91 1.039 3.488 -10.855 1.00 10.00 H new ATOM 1034 N GLY A 92 3.469 3.572 -7.016 1.00 10.00 N ATOM 1035 CA GLY A 92 4.330 3.866 -5.887 1.00 10.00 C ATOM 1036 C GLY A 92 4.536 2.659 -4.995 1.00 10.00 C ATOM 1037 O GLY A 92 5.646 2.408 -4.529 1.00 10.00 O ATOM 0 H GLY A 92 2.633 4.153 -7.074 1.00 10.00 H new ATOM 0 HA2 GLY A 92 5.296 4.216 -6.251 1.00 10.00 H new ATOM 0 HA3 GLY A 92 3.896 4.678 -5.303 1.00 10.00 H new ATOM 1041 N PHE A 93 3.468 1.900 -4.770 1.00 10.00 N ATOM 1042 CA PHE A 93 3.535 0.702 -3.938 1.00 10.00 C ATOM 1043 C PHE A 93 4.527 -0.311 -4.523 1.00 10.00 C ATOM 1044 O PHE A 93 5.155 -1.072 -3.789 1.00 10.00 O ATOM 1045 CB PHE A 93 2.144 0.071 -3.806 1.00 10.00 C ATOM 1046 CG PHE A 93 2.128 -1.192 -2.991 1.00 10.00 C ATOM 1047 CD1 PHE A 93 2.471 -1.172 -1.650 1.00 10.00 C ATOM 1048 CD2 PHE A 93 1.770 -2.397 -3.570 1.00 10.00 C ATOM 1049 CE1 PHE A 93 2.456 -2.333 -0.903 1.00 10.00 C ATOM 1050 CE2 PHE A 93 1.752 -3.562 -2.830 1.00 10.00 C ATOM 1051 CZ PHE A 93 2.097 -3.530 -1.492 1.00 10.00 C ATOM 0 H PHE A 93 2.543 2.094 -5.153 1.00 10.00 H new ATOM 0 HA PHE A 93 3.886 0.990 -2.947 1.00 10.00 H new ATOM 0 HB2 PHE A 93 1.468 0.795 -3.351 1.00 10.00 H new ATOM 0 HB3 PHE A 93 1.757 -0.145 -4.802 1.00 10.00 H new ATOM 0 HD1 PHE A 93 2.753 -0.240 -1.184 1.00 10.00 H new ATOM 0 HD2 PHE A 93 1.501 -2.426 -4.616 1.00 10.00 H new ATOM 0 HE1 PHE A 93 2.725 -2.305 0.143 1.00 10.00 H new ATOM 0 HE2 PHE A 93 1.469 -4.495 -3.295 1.00 10.00 H new ATOM 0 HZ PHE A 93 2.086 -4.439 -0.908 1.00 10.00 H new ATOM 1061 N ASN A 94 4.690 -0.286 -5.844 1.00 10.00 N ATOM 1062 CA ASN A 94 5.605 -1.198 -6.524 1.00 10.00 C ATOM 1063 C ASN A 94 7.054 -0.846 -6.202 1.00 10.00 C ATOM 1064 O ASN A 94 7.955 -1.660 -6.390 1.00 10.00 O ATOM 1065 CB ASN A 94 5.397 -1.155 -8.043 1.00 10.00 C ATOM 1066 CG ASN A 94 4.273 -2.060 -8.519 1.00 10.00 C ATOM 1067 OD1 ASN A 94 4.468 -3.253 -8.738 1.00 10.00 O ATOM 1068 ND2 ASN A 94 3.087 -1.496 -8.690 1.00 10.00 N ATOM 0 H ASN A 94 4.199 0.357 -6.465 1.00 10.00 H new ATOM 0 HA ASN A 94 5.391 -2.205 -6.167 1.00 10.00 H new ATOM 0 HB2 ASN A 94 5.182 -0.130 -8.345 1.00 10.00 H new ATOM 0 HB3 ASN A 94 6.323 -1.446 -8.538 1.00 10.00 H new ATOM 0 HD21 ASN A 94 2.298 -2.056 -9.014 1.00 10.00 H new ATOM 0 HD22 ASN A 94 2.963 -0.502 -8.498 1.00 10.00 H new ATOM 1075 N ALA A 95 7.275 0.369 -5.708 1.00 10.00 N ATOM 1076 CA ALA A 95 8.617 0.822 -5.366 1.00 10.00 C ATOM 1077 C ALA A 95 8.834 0.799 -3.858 1.00 10.00 C ATOM 1078 O ALA A 95 9.926 1.094 -3.372 1.00 10.00 O ATOM 1079 CB ALA A 95 8.860 2.221 -5.909 1.00 10.00 C ATOM 0 H ALA A 95 6.541 1.056 -5.536 1.00 10.00 H new ATOM 0 HA ALA A 95 9.330 0.137 -5.825 1.00 10.00 H new ATOM 0 HB1 ALA A 95 9.867 2.544 -5.645 1.00 10.00 H new ATOM 0 HB2 ALA A 95 8.754 2.214 -6.994 1.00 10.00 H new ATOM 0 HB3 ALA A 95 8.133 2.910 -5.478 1.00 10.00 H new ATOM 1085 N PHE A 96 7.789 0.456 -3.119 1.00 10.00 N ATOM 1086 CA PHE A 96 7.874 0.403 -1.667 1.00 10.00 C ATOM 1087 C PHE A 96 7.741 -1.028 -1.169 1.00 10.00 C ATOM 1088 O PHE A 96 7.421 -1.269 -0.001 1.00 10.00 O ATOM 1089 CB PHE A 96 6.811 1.301 -1.027 1.00 10.00 C ATOM 1090 CG PHE A 96 7.150 2.761 -1.113 1.00 10.00 C ATOM 1091 CD1 PHE A 96 6.419 3.607 -1.927 1.00 10.00 C ATOM 1092 CD2 PHE A 96 8.208 3.285 -0.388 1.00 10.00 C ATOM 1093 CE1 PHE A 96 6.733 4.948 -2.018 1.00 10.00 C ATOM 1094 CE2 PHE A 96 8.527 4.627 -0.475 1.00 10.00 C ATOM 1095 CZ PHE A 96 7.789 5.458 -1.292 1.00 10.00 C ATOM 0 H PHE A 96 6.875 0.211 -3.500 1.00 10.00 H new ATOM 0 HA PHE A 96 8.855 0.775 -1.372 1.00 10.00 H new ATOM 0 HB2 PHE A 96 5.853 1.126 -1.516 1.00 10.00 H new ATOM 0 HB3 PHE A 96 6.690 1.022 0.020 1.00 10.00 H new ATOM 0 HD1 PHE A 96 5.592 3.213 -2.499 1.00 10.00 H new ATOM 0 HD2 PHE A 96 8.790 2.638 0.252 1.00 10.00 H new ATOM 0 HE1 PHE A 96 6.153 5.597 -2.657 1.00 10.00 H new ATOM 0 HE2 PHE A 96 9.353 5.025 0.096 1.00 10.00 H new ATOM 0 HZ PHE A 96 8.038 6.507 -1.363 1.00 10.00 H new ATOM 1105 N LEU A 97 7.992 -1.977 -2.063 1.00 10.00 N ATOM 1106 CA LEU A 97 7.921 -3.390 -1.720 1.00 10.00 C ATOM 1107 C LEU A 97 9.200 -3.814 -1.007 1.00 10.00 C ATOM 1108 O LEU A 97 10.290 -3.760 -1.586 1.00 10.00 O ATOM 1109 CB LEU A 97 7.718 -4.234 -2.978 1.00 10.00 C ATOM 1110 CG LEU A 97 6.315 -4.173 -3.576 1.00 10.00 C ATOM 1111 CD1 LEU A 97 6.361 -4.492 -5.058 1.00 10.00 C ATOM 1112 CD2 LEU A 97 5.384 -5.139 -2.857 1.00 10.00 C ATOM 0 H LEU A 97 8.247 -1.792 -3.033 1.00 10.00 H new ATOM 0 HA LEU A 97 7.072 -3.548 -1.055 1.00 10.00 H new ATOM 0 HB2 LEU A 97 8.433 -3.910 -3.734 1.00 10.00 H new ATOM 0 HB3 LEU A 97 7.951 -5.272 -2.742 1.00 10.00 H new ATOM 0 HG LEU A 97 5.929 -3.162 -3.447 1.00 10.00 H new ATOM 0 HD11 LEU A 97 5.354 -4.445 -5.472 1.00 10.00 H new ATOM 0 HD12 LEU A 97 6.996 -3.767 -5.567 1.00 10.00 H new ATOM 0 HD13 LEU A 97 6.766 -5.494 -5.202 1.00 10.00 H new ATOM 0 HD21 LEU A 97 4.389 -5.081 -3.298 1.00 10.00 H new ATOM 0 HD22 LEU A 97 5.766 -6.155 -2.957 1.00 10.00 H new ATOM 0 HD23 LEU A 97 5.329 -4.874 -1.801 1.00 10.00 H new ATOM 1124 N PRO A 98 9.092 -4.224 0.265 1.00 10.00 N ATOM 1125 CA PRO A 98 10.250 -4.651 1.052 1.00 10.00 C ATOM 1126 C PRO A 98 10.809 -5.998 0.597 1.00 10.00 C ATOM 1127 O PRO A 98 11.948 -6.345 0.913 1.00 10.00 O ATOM 1128 CB PRO A 98 9.697 -4.751 2.473 1.00 10.00 C ATOM 1129 CG PRO A 98 8.236 -4.974 2.312 1.00 10.00 C ATOM 1130 CD PRO A 98 7.836 -4.276 1.043 1.00 10.00 C ATOM 0 HA PRO A 98 11.084 -3.956 0.952 1.00 10.00 H new ATOM 0 HB2 PRO A 98 10.162 -5.572 3.019 1.00 10.00 H new ATOM 0 HB3 PRO A 98 9.896 -3.840 3.037 1.00 10.00 H new ATOM 0 HG2 PRO A 98 8.010 -6.039 2.257 1.00 10.00 H new ATOM 0 HG3 PRO A 98 7.686 -4.575 3.164 1.00 10.00 H new ATOM 0 HD2 PRO A 98 7.058 -4.824 0.512 1.00 10.00 H new ATOM 0 HD3 PRO A 98 7.445 -3.278 1.240 1.00 10.00 H new ATOM 1138 N SER A 99 10.004 -6.755 -0.136 1.00 10.00 N ATOM 1139 CA SER A 99 10.422 -8.056 -0.637 1.00 10.00 C ATOM 1140 C SER A 99 10.302 -8.089 -2.160 1.00 10.00 C ATOM 1141 O SER A 99 9.553 -7.308 -2.747 1.00 10.00 O ATOM 1142 CB SER A 99 9.566 -9.165 -0.019 1.00 10.00 C ATOM 1143 OG SER A 99 9.062 -8.775 1.249 1.00 10.00 O ATOM 0 H SER A 99 9.055 -6.489 -0.397 1.00 10.00 H new ATOM 0 HA SER A 99 11.462 -8.222 -0.357 1.00 10.00 H new ATOM 0 HB2 SER A 99 8.737 -9.403 -0.686 1.00 10.00 H new ATOM 0 HB3 SER A 99 10.161 -10.072 0.086 1.00 10.00 H new ATOM 0 HG SER A 99 8.517 -9.500 1.622 1.00 10.00 H new ATOM 1149 N GLY A 100 11.036 -8.994 -2.788 1.00 10.00 N ATOM 1150 CA GLY A 100 10.999 -9.114 -4.230 1.00 10.00 C ATOM 1151 C GLY A 100 12.090 -10.032 -4.742 1.00 10.00 C ATOM 1152 O GLY A 100 12.300 -11.111 -4.183 1.00 10.00 O ATOM 0 H GLY A 100 11.661 -9.652 -2.321 1.00 10.00 H new ATOM 0 HA2 GLY A 100 10.026 -9.497 -4.539 1.00 10.00 H new ATOM 0 HA3 GLY A 100 11.111 -8.128 -4.681 1.00 10.00 H new ATOM 1156 N PRO A 101 12.814 -9.630 -5.802 1.00 10.00 N ATOM 1157 CA PRO A 101 13.900 -10.431 -6.369 1.00 10.00 C ATOM 1158 C PRO A 101 15.161 -10.353 -5.511 1.00 10.00 C ATOM 1159 O PRO A 101 16.122 -11.091 -5.727 1.00 10.00 O ATOM 1160 CB PRO A 101 14.153 -9.790 -7.746 1.00 10.00 C ATOM 1161 CG PRO A 101 13.093 -8.749 -7.926 1.00 10.00 C ATOM 1162 CD PRO A 101 12.621 -8.381 -6.549 1.00 10.00 C ATOM 0 HA PRO A 101 13.641 -11.488 -6.426 1.00 10.00 H new ATOM 0 HB2 PRO A 101 15.147 -9.345 -7.791 1.00 10.00 H new ATOM 0 HB3 PRO A 101 14.103 -10.537 -8.538 1.00 10.00 H new ATOM 0 HG2 PRO A 101 13.489 -7.877 -8.446 1.00 10.00 H new ATOM 0 HG3 PRO A 101 12.270 -9.133 -8.529 1.00 10.00 H new ATOM 0 HD2 PRO A 101 13.202 -7.562 -6.126 1.00 10.00 H new ATOM 0 HD3 PRO A 101 11.578 -8.065 -6.549 1.00 10.00 H new ATOM 1170 N SER A 102 15.140 -9.449 -4.538 1.00 10.00 N ATOM 1171 CA SER A 102 16.265 -9.243 -3.640 1.00 10.00 C ATOM 1172 C SER A 102 16.500 -10.463 -2.754 1.00 10.00 C ATOM 1173 O SER A 102 15.569 -11.217 -2.454 1.00 10.00 O ATOM 1174 CB SER A 102 16.005 -8.011 -2.773 1.00 10.00 C ATOM 1175 OG SER A 102 15.346 -6.998 -3.517 1.00 10.00 O ATOM 0 H SER A 102 14.343 -8.840 -4.352 1.00 10.00 H new ATOM 0 HA SER A 102 17.161 -9.090 -4.241 1.00 10.00 H new ATOM 0 HB2 SER A 102 15.397 -8.289 -1.912 1.00 10.00 H new ATOM 0 HB3 SER A 102 16.949 -7.628 -2.386 1.00 10.00 H new ATOM 0 HG SER A 102 15.188 -6.220 -2.942 1.00 10.00 H new ATOM 1181 N SER A 103 17.746 -10.648 -2.342 1.00 10.00 N ATOM 1182 CA SER A 103 18.122 -11.767 -1.498 1.00 10.00 C ATOM 1183 C SER A 103 17.405 -11.704 -0.150 1.00 10.00 C ATOM 1184 O SER A 103 17.333 -10.644 0.483 1.00 10.00 O ATOM 1185 CB SER A 103 19.638 -11.759 -1.295 1.00 10.00 C ATOM 1186 OG SER A 103 20.297 -11.266 -2.451 1.00 10.00 O ATOM 0 H SER A 103 18.520 -10.028 -2.583 1.00 10.00 H new ATOM 0 HA SER A 103 17.824 -12.693 -1.989 1.00 10.00 H new ATOM 0 HB2 SER A 103 19.891 -11.140 -0.434 1.00 10.00 H new ATOM 0 HB3 SER A 103 19.986 -12.768 -1.075 1.00 10.00 H new ATOM 0 HG SER A 103 21.265 -11.267 -2.301 1.00 10.00 H new ATOM 1192 N GLY A 104 16.862 -12.837 0.272 1.00 10.00 N ATOM 1193 CA GLY A 104 16.164 -12.908 1.544 1.00 10.00 C ATOM 1194 C GLY A 104 14.747 -13.416 1.398 1.00 10.00 C ATOM 1195 O GLY A 104 13.850 -12.665 1.011 1.00 10.00 O ATOM 0 H GLY A 104 16.892 -13.715 -0.246 1.00 10.00 H new ATOM 0 HA2 GLY A 104 16.714 -13.563 2.221 1.00 10.00 H new ATOM 0 HA3 GLY A 104 16.147 -11.919 2.001 1.00 10.00 H new TER 1199 GLY A 104 HETATM 1200 N1 8TL A 201 1.907 -3.823 2.819 1.00 10.00 N HETATM 1201 N3 8TL A 201 3.366 -6.445 1.735 1.00 10.00 N HETATM 1202 C4 8TL A 201 3.842 -0.860 3.773 1.00 10.00 C HETATM 1203 C5 8TL A 201 4.428 -0.697 2.367 1.00 10.00 C HETATM 1204 C6 8TL A 201 0.921 -4.088 1.963 1.00 10.00 C HETATM 1205 C7 8TL A 201 -0.703 -3.561 0.435 1.00 10.00 C HETATM 1206 C8 8TL A 201 -1.255 -2.409 -0.406 1.00 10.00 C HETATM 1207 C10 8TL A 201 4.988 -5.693 3.461 1.00 10.00 C HETATM 1208 C13 8TL A 201 2.975 -6.911 0.386 1.00 10.00 C HETATM 1209 C15 8TL A 201 1.438 -8.438 -0.891 1.00 10.00 C HETATM 1210 C17 8TL A 201 0.223 -9.363 -0.811 1.00 10.00 C HETATM 1211 C20 8TL A 201 7.373 -6.902 6.172 1.00 10.00 C HETATM 1212 C9 8TL A 201 -1.834 -4.127 1.296 1.00 10.00 C HETATM 1213 O4 8TL A 201 0.334 -3.059 1.289 1.00 10.00 O HETATM 1214 O3 8TL A 201 0.539 -5.240 1.774 1.00 10.00 O HETATM 1215 O1 8TL A 201 2.238 -2.496 3.008 1.00 10.00 O HETATM 1216 C1 8TL A 201 3.270 -2.264 3.970 1.00 10.00 C HETATM 1217 C2 8TL A 201 4.380 -3.296 3.779 1.00 10.00 C HETATM 1218 O2 8TL A 201 5.564 -2.962 3.722 1.00 10.00 O HETATM 1219 N2 8TL A 201 3.991 -4.632 3.660 1.00 10.00 N HETATM 1220 C3 8TL A 201 2.554 -4.923 3.557 1.00 10.00 C HETATM 1221 C11 8TL A 201 2.360 -6.243 2.801 1.00 10.00 C HETATM 1222 C14 8TL A 201 1.830 -7.919 0.495 1.00 10.00 C HETATM 1223 C16 8TL A 201 2.617 -9.156 -1.549 1.00 10.00 C HETATM 1224 C12 8TL A 201 4.707 -6.194 2.044 1.00 10.00 C HETATM 1225 O5 8TL A 201 5.603 -6.355 1.219 1.00 10.00 O HETATM 1226 C18 8TL A 201 4.721 -6.840 4.435 1.00 10.00 C HETATM 1227 C19 8TL A 201 5.719 -7.980 4.232 1.00 10.00 C HETATM 1228 S1 8TL A 201 7.458 -7.463 4.487 1.00 10.00 S