USER MOD reduce.3.24.130724 H: found=0, std=0, add=766, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 764 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 40 THR OG1 : rot 180:sc= -0.497 USER MOD Set 1.2: A 41 THR OG1 : rot 180:sc= -0.0869 USER MOD Single : A 1 GLY N :NH3+ -108:sc= 0.0387 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0835 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc=-0.00214 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= -0.0105 USER MOD Single : A 18 SER OG : rot 42:sc= 0.671 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc=-0.00276 USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.218 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 87:sc= 0.825 USER MOD Single : A 45 SER OG : rot 34:sc= 0.693 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -0.0307 K(o=-0.031,f=-1.4!) USER MOD Single : A 56 ASN : amide:sc= -1.01 K(o=-1,f=-5.6!) USER MOD Single : A 57 ASN :FLIP amide:sc= 0.262 F(o=-1.3,f=0.26) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -70:sc= 0.937 USER MOD Single : A 70 THR OG1 : rot -160:sc= -0.83 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot -108:sc= 0.0669 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 TYR OH : rot -76:sc= 0.219! USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 SER OG : rot 180:sc= -0.0718 USER MOD Single : A 107 SER OG : rot 38:sc= 0.842 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -22.605 -20.218 -19.353 1.00 0.00 N ATOM 2 CA GLY A 1 -21.901 -19.423 -18.365 1.00 0.00 C ATOM 3 C GLY A 1 -22.298 -19.776 -16.945 1.00 0.00 C ATOM 4 O GLY A 1 -23.420 -20.219 -16.699 1.00 0.00 O ATOM 0 H1 GLY A 1 -21.948 -20.902 -19.780 1.00 0.00 H new ATOM 0 H2 GLY A 1 -23.387 -20.728 -18.895 1.00 0.00 H new ATOM 0 H3 GLY A 1 -22.985 -19.594 -20.093 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -20.827 -19.568 -18.485 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -22.102 -18.367 -18.543 1.00 0.00 H new ATOM 8 N SER A 2 -21.376 -19.581 -16.008 1.00 0.00 N ATOM 9 CA SER A 2 -21.634 -19.888 -14.606 1.00 0.00 C ATOM 10 C SER A 2 -20.666 -19.134 -13.698 1.00 0.00 C ATOM 11 O SER A 2 -19.449 -19.264 -13.827 1.00 0.00 O ATOM 12 CB SER A 2 -21.514 -21.393 -14.361 1.00 0.00 C ATOM 13 OG SER A 2 -22.303 -21.794 -13.254 1.00 0.00 O ATOM 0 H SER A 2 -20.444 -19.212 -16.194 1.00 0.00 H new ATOM 0 HA SER A 2 -22.649 -19.569 -14.370 1.00 0.00 H new ATOM 0 HB2 SER A 2 -21.829 -21.936 -15.252 1.00 0.00 H new ATOM 0 HB3 SER A 2 -20.471 -21.653 -14.181 1.00 0.00 H new ATOM 0 HG SER A 2 -22.210 -22.760 -13.119 1.00 0.00 H new ATOM 19 N SER A 3 -21.217 -18.347 -12.781 1.00 0.00 N ATOM 20 CA SER A 3 -20.404 -17.569 -11.853 1.00 0.00 C ATOM 21 C SER A 3 -21.035 -17.548 -10.464 1.00 0.00 C ATOM 22 O SER A 3 -22.229 -17.800 -10.308 1.00 0.00 O ATOM 23 CB SER A 3 -20.232 -16.139 -12.369 1.00 0.00 C ATOM 24 OG SER A 3 -19.520 -15.343 -11.437 1.00 0.00 O ATOM 0 H SER A 3 -22.223 -18.231 -12.660 1.00 0.00 H new ATOM 0 HA SER A 3 -19.425 -18.042 -11.781 1.00 0.00 H new ATOM 0 HB2 SER A 3 -19.700 -16.154 -13.320 1.00 0.00 H new ATOM 0 HB3 SER A 3 -21.210 -15.697 -12.557 1.00 0.00 H new ATOM 0 HG SER A 3 -19.422 -14.434 -11.791 1.00 0.00 H new ATOM 30 N GLY A 4 -20.221 -17.246 -9.456 1.00 0.00 N ATOM 31 CA GLY A 4 -20.716 -17.198 -8.093 1.00 0.00 C ATOM 32 C GLY A 4 -19.899 -16.273 -7.212 1.00 0.00 C ATOM 33 O GLY A 4 -18.669 -16.291 -7.253 1.00 0.00 O ATOM 0 H GLY A 4 -19.229 -17.034 -9.560 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -21.754 -16.867 -8.098 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -20.704 -18.202 -7.670 1.00 0.00 H new ATOM 37 N SER A 5 -20.585 -15.459 -6.415 1.00 0.00 N ATOM 38 CA SER A 5 -19.915 -14.519 -5.524 1.00 0.00 C ATOM 39 C SER A 5 -20.427 -14.666 -4.094 1.00 0.00 C ATOM 40 O SER A 5 -21.581 -15.030 -3.871 1.00 0.00 O ATOM 41 CB SER A 5 -20.130 -13.084 -6.009 1.00 0.00 C ATOM 42 OG SER A 5 -19.440 -12.159 -5.186 1.00 0.00 O ATOM 0 H SER A 5 -21.604 -15.432 -6.368 1.00 0.00 H new ATOM 0 HA SER A 5 -18.848 -14.744 -5.534 1.00 0.00 H new ATOM 0 HB2 SER A 5 -19.784 -12.989 -7.038 1.00 0.00 H new ATOM 0 HB3 SER A 5 -21.195 -12.852 -6.008 1.00 0.00 H new ATOM 0 HG SER A 5 -19.592 -11.249 -5.518 1.00 0.00 H new ATOM 48 N SER A 6 -19.558 -14.380 -3.130 1.00 0.00 N ATOM 49 CA SER A 6 -19.919 -14.484 -1.721 1.00 0.00 C ATOM 50 C SER A 6 -19.772 -13.136 -1.021 1.00 0.00 C ATOM 51 O SER A 6 -18.661 -12.684 -0.749 1.00 0.00 O ATOM 52 CB SER A 6 -19.047 -15.531 -1.025 1.00 0.00 C ATOM 53 OG SER A 6 -19.623 -15.938 0.205 1.00 0.00 O ATOM 0 H SER A 6 -18.600 -14.075 -3.299 1.00 0.00 H new ATOM 0 HA SER A 6 -20.963 -14.793 -1.661 1.00 0.00 H new ATOM 0 HB2 SER A 6 -18.923 -16.396 -1.676 1.00 0.00 H new ATOM 0 HB3 SER A 6 -18.053 -15.121 -0.847 1.00 0.00 H new ATOM 0 HG SER A 6 -19.048 -16.608 0.630 1.00 0.00 H new ATOM 59 N GLY A 7 -20.903 -12.499 -0.732 1.00 0.00 N ATOM 60 CA GLY A 7 -20.879 -11.210 -0.067 1.00 0.00 C ATOM 61 C GLY A 7 -21.461 -10.104 -0.925 1.00 0.00 C ATOM 62 O GLY A 7 -22.680 -9.966 -1.028 1.00 0.00 O ATOM 0 H GLY A 7 -21.835 -12.853 -0.947 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -21.440 -11.275 0.866 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -19.851 -10.959 0.196 1.00 0.00 H new ATOM 66 N ALA A 8 -20.589 -9.313 -1.541 1.00 0.00 N ATOM 67 CA ALA A 8 -21.024 -8.214 -2.395 1.00 0.00 C ATOM 68 C ALA A 8 -21.963 -7.276 -1.645 1.00 0.00 C ATOM 69 O ALA A 8 -23.007 -6.881 -2.164 1.00 0.00 O ATOM 70 CB ALA A 8 -21.702 -8.754 -3.645 1.00 0.00 C ATOM 0 H ALA A 8 -19.577 -9.413 -1.465 1.00 0.00 H new ATOM 0 HA ALA A 8 -20.143 -7.644 -2.690 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -22.022 -7.923 -4.273 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -21.001 -9.378 -4.198 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -22.570 -9.348 -3.360 1.00 0.00 H new ATOM 76 N SER A 9 -21.585 -6.922 -0.420 1.00 0.00 N ATOM 77 CA SER A 9 -22.396 -6.033 0.403 1.00 0.00 C ATOM 78 C SER A 9 -21.534 -4.953 1.049 1.00 0.00 C ATOM 79 O SER A 9 -20.511 -5.247 1.667 1.00 0.00 O ATOM 80 CB SER A 9 -23.129 -6.831 1.484 1.00 0.00 C ATOM 81 OG SER A 9 -22.232 -7.267 2.491 1.00 0.00 O ATOM 0 H SER A 9 -20.722 -7.237 0.024 1.00 0.00 H new ATOM 0 HA SER A 9 -23.130 -5.550 -0.242 1.00 0.00 H new ATOM 0 HB2 SER A 9 -23.909 -6.214 1.930 1.00 0.00 H new ATOM 0 HB3 SER A 9 -23.622 -7.693 1.033 1.00 0.00 H new ATOM 0 HG SER A 9 -22.724 -7.773 3.171 1.00 0.00 H new ATOM 87 N SER A 10 -21.955 -3.701 0.900 1.00 0.00 N ATOM 88 CA SER A 10 -21.219 -2.575 1.465 1.00 0.00 C ATOM 89 C SER A 10 -22.118 -1.349 1.593 1.00 0.00 C ATOM 90 O SER A 10 -23.275 -1.367 1.173 1.00 0.00 O ATOM 91 CB SER A 10 -20.006 -2.244 0.595 1.00 0.00 C ATOM 92 OG SER A 10 -20.382 -2.068 -0.760 1.00 0.00 O ATOM 0 H SER A 10 -22.801 -3.441 0.393 1.00 0.00 H new ATOM 0 HA SER A 10 -20.876 -2.858 2.460 1.00 0.00 H new ATOM 0 HB2 SER A 10 -19.527 -1.337 0.963 1.00 0.00 H new ATOM 0 HB3 SER A 10 -19.271 -3.045 0.670 1.00 0.00 H new ATOM 0 HG SER A 10 -19.589 -1.856 -1.295 1.00 0.00 H new ATOM 98 N SER A 11 -21.576 -0.285 2.177 1.00 0.00 N ATOM 99 CA SER A 11 -22.329 0.950 2.365 1.00 0.00 C ATOM 100 C SER A 11 -21.522 2.155 1.893 1.00 0.00 C ATOM 101 O SER A 11 -20.312 2.064 1.684 1.00 0.00 O ATOM 102 CB SER A 11 -22.710 1.121 3.837 1.00 0.00 C ATOM 103 OG SER A 11 -21.611 1.597 4.595 1.00 0.00 O ATOM 0 H SER A 11 -20.619 -0.253 2.528 1.00 0.00 H new ATOM 0 HA SER A 11 -23.238 0.887 1.767 1.00 0.00 H new ATOM 0 HB2 SER A 11 -23.544 1.818 3.922 1.00 0.00 H new ATOM 0 HB3 SER A 11 -23.049 0.167 4.241 1.00 0.00 H new ATOM 0 HG SER A 11 -21.880 1.700 5.532 1.00 0.00 H new ATOM 109 N PHE A 12 -22.200 3.286 1.727 1.00 0.00 N ATOM 110 CA PHE A 12 -21.548 4.511 1.279 1.00 0.00 C ATOM 111 C PHE A 12 -21.106 5.358 2.469 1.00 0.00 C ATOM 112 O PHE A 12 -21.697 5.292 3.546 1.00 0.00 O ATOM 113 CB PHE A 12 -22.491 5.319 0.386 1.00 0.00 C ATOM 114 CG PHE A 12 -22.543 4.826 -1.032 1.00 0.00 C ATOM 115 CD1 PHE A 12 -21.588 5.227 -1.953 1.00 0.00 C ATOM 116 CD2 PHE A 12 -23.546 3.964 -1.444 1.00 0.00 C ATOM 117 CE1 PHE A 12 -21.632 4.775 -3.259 1.00 0.00 C ATOM 118 CE2 PHE A 12 -23.595 3.509 -2.748 1.00 0.00 C ATOM 119 CZ PHE A 12 -22.638 3.916 -3.657 1.00 0.00 C ATOM 0 H PHE A 12 -23.202 3.379 1.896 1.00 0.00 H new ATOM 0 HA PHE A 12 -20.664 4.233 0.705 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -23.495 5.289 0.810 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -22.176 6.362 0.388 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -20.801 5.900 -1.647 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -24.298 3.644 -0.738 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -20.881 5.093 -3.967 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -24.381 2.836 -3.056 1.00 0.00 H new ATOM 0 HZ PHE A 12 -22.676 3.563 -4.677 1.00 0.00 H new ATOM 129 N SER A 13 -20.060 6.153 2.265 1.00 0.00 N ATOM 130 CA SER A 13 -19.535 7.010 3.321 1.00 0.00 C ATOM 131 C SER A 13 -18.526 8.008 2.759 1.00 0.00 C ATOM 132 O SER A 13 -17.941 7.787 1.699 1.00 0.00 O ATOM 133 CB SER A 13 -18.878 6.165 4.414 1.00 0.00 C ATOM 134 OG SER A 13 -17.861 5.337 3.876 1.00 0.00 O ATOM 0 H SER A 13 -19.560 6.221 1.379 1.00 0.00 H new ATOM 0 HA SER A 13 -20.368 7.565 3.752 1.00 0.00 H new ATOM 0 HB2 SER A 13 -18.454 6.818 5.177 1.00 0.00 H new ATOM 0 HB3 SER A 13 -19.632 5.549 4.904 1.00 0.00 H new ATOM 0 HG SER A 13 -17.455 4.808 4.595 1.00 0.00 H new ATOM 140 N VAL A 14 -18.329 9.109 3.478 1.00 0.00 N ATOM 141 CA VAL A 14 -17.391 10.141 3.054 1.00 0.00 C ATOM 142 C VAL A 14 -15.970 9.593 2.972 1.00 0.00 C ATOM 143 O VAL A 14 -15.570 8.753 3.778 1.00 0.00 O ATOM 144 CB VAL A 14 -17.410 11.346 4.014 1.00 0.00 C ATOM 145 CG1 VAL A 14 -16.917 10.937 5.394 1.00 0.00 C ATOM 146 CG2 VAL A 14 -16.571 12.485 3.455 1.00 0.00 C ATOM 0 H VAL A 14 -18.807 9.309 4.357 1.00 0.00 H new ATOM 0 HA VAL A 14 -17.708 10.469 2.064 1.00 0.00 H new ATOM 0 HB VAL A 14 -18.438 11.696 4.111 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -16.937 11.801 6.058 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -17.563 10.156 5.794 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -15.897 10.561 5.319 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -16.596 13.328 4.146 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -15.542 12.150 3.328 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -16.974 12.794 2.491 1.00 0.00 H new ATOM 156 N VAL A 15 -15.212 10.075 1.992 1.00 0.00 N ATOM 157 CA VAL A 15 -13.835 9.635 1.804 1.00 0.00 C ATOM 158 C VAL A 15 -12.876 10.820 1.794 1.00 0.00 C ATOM 159 O VAL A 15 -13.287 11.962 1.591 1.00 0.00 O ATOM 160 CB VAL A 15 -13.672 8.844 0.492 1.00 0.00 C ATOM 161 CG1 VAL A 15 -14.561 7.610 0.498 1.00 0.00 C ATOM 162 CG2 VAL A 15 -13.982 9.730 -0.705 1.00 0.00 C ATOM 0 H VAL A 15 -15.529 10.770 1.316 1.00 0.00 H new ATOM 0 HA VAL A 15 -13.593 8.983 2.644 1.00 0.00 H new ATOM 0 HB VAL A 15 -12.636 8.514 0.412 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -14.432 7.064 -0.437 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -14.286 6.967 1.334 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -15.603 7.913 0.601 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -13.862 9.156 -1.624 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -15.008 10.091 -0.634 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -13.298 10.579 -0.716 1.00 0.00 H new ATOM 172 N SER A 16 -11.595 10.540 2.013 1.00 0.00 N ATOM 173 CA SER A 16 -10.577 11.583 2.032 1.00 0.00 C ATOM 174 C SER A 16 -9.179 10.977 2.102 1.00 0.00 C ATOM 175 O SER A 16 -8.996 9.868 2.604 1.00 0.00 O ATOM 176 CB SER A 16 -10.799 12.520 3.221 1.00 0.00 C ATOM 177 OG SER A 16 -10.297 13.817 2.949 1.00 0.00 O ATOM 0 H SER A 16 -11.238 9.599 2.180 1.00 0.00 H new ATOM 0 HA SER A 16 -10.660 12.154 1.107 1.00 0.00 H new ATOM 0 HB2 SER A 16 -11.864 12.579 3.448 1.00 0.00 H new ATOM 0 HB3 SER A 16 -10.307 12.114 4.105 1.00 0.00 H new ATOM 0 HG SER A 16 -10.453 14.397 3.723 1.00 0.00 H new ATOM 183 N SER A 17 -8.195 11.713 1.595 1.00 0.00 N ATOM 184 CA SER A 17 -6.813 11.248 1.596 1.00 0.00 C ATOM 185 C SER A 17 -5.843 12.425 1.605 1.00 0.00 C ATOM 186 O SER A 17 -5.762 13.184 0.640 1.00 0.00 O ATOM 187 CB SER A 17 -6.550 10.364 0.375 1.00 0.00 C ATOM 188 OG SER A 17 -7.337 9.187 0.418 1.00 0.00 O ATOM 0 H SER A 17 -8.329 12.634 1.178 1.00 0.00 H new ATOM 0 HA SER A 17 -6.653 10.662 2.501 1.00 0.00 H new ATOM 0 HB2 SER A 17 -6.772 10.921 -0.535 1.00 0.00 H new ATOM 0 HB3 SER A 17 -5.494 10.098 0.336 1.00 0.00 H new ATOM 0 HG SER A 17 -7.152 8.640 -0.374 1.00 0.00 H new ATOM 194 N SER A 18 -5.109 12.570 2.704 1.00 0.00 N ATOM 195 CA SER A 18 -4.147 13.657 2.842 1.00 0.00 C ATOM 196 C SER A 18 -2.729 13.112 2.985 1.00 0.00 C ATOM 197 O SER A 18 -2.401 12.455 3.974 1.00 0.00 O ATOM 198 CB SER A 18 -4.496 14.526 4.052 1.00 0.00 C ATOM 199 OG SER A 18 -4.459 13.770 5.250 1.00 0.00 O ATOM 0 H SER A 18 -5.162 11.949 3.511 1.00 0.00 H new ATOM 0 HA SER A 18 -4.194 14.267 1.940 1.00 0.00 H new ATOM 0 HB2 SER A 18 -3.795 15.357 4.121 1.00 0.00 H new ATOM 0 HB3 SER A 18 -5.489 14.957 3.920 1.00 0.00 H new ATOM 0 HG SER A 18 -3.676 13.180 5.241 1.00 0.00 H new ATOM 205 N TYR A 19 -1.892 13.390 1.992 1.00 0.00 N ATOM 206 CA TYR A 19 -0.509 12.927 2.005 1.00 0.00 C ATOM 207 C TYR A 19 0.458 14.093 1.827 1.00 0.00 C ATOM 208 O TYR A 19 0.136 15.112 1.217 1.00 0.00 O ATOM 209 CB TYR A 19 -0.286 11.891 0.901 1.00 0.00 C ATOM 210 CG TYR A 19 -0.098 12.499 -0.471 1.00 0.00 C ATOM 211 CD1 TYR A 19 -1.176 13.025 -1.173 1.00 0.00 C ATOM 212 CD2 TYR A 19 1.157 12.548 -1.065 1.00 0.00 C ATOM 213 CE1 TYR A 19 -1.009 13.581 -2.426 1.00 0.00 C ATOM 214 CE2 TYR A 19 1.334 13.103 -2.317 1.00 0.00 C ATOM 215 CZ TYR A 19 0.248 13.618 -2.994 1.00 0.00 C ATOM 216 OH TYR A 19 0.420 14.171 -4.242 1.00 0.00 O ATOM 0 H TYR A 19 -2.147 13.934 1.168 1.00 0.00 H new ATOM 0 HA TYR A 19 -0.316 12.464 2.973 1.00 0.00 H new ATOM 0 HB2 TYR A 19 0.591 11.293 1.147 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -1.138 11.212 0.874 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -2.161 12.998 -0.731 1.00 0.00 H new ATOM 0 HD2 TYR A 19 2.009 12.145 -0.538 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -1.858 13.985 -2.958 1.00 0.00 H new ATOM 0 HE2 TYR A 19 2.317 13.134 -2.764 1.00 0.00 H new ATOM 0 HH TYR A 19 1.365 14.119 -4.496 1.00 0.00 H new ATOM 226 N PRO A 20 1.674 13.940 2.372 1.00 0.00 N ATOM 227 CA PRO A 20 2.715 14.968 2.286 1.00 0.00 C ATOM 228 C PRO A 20 3.261 15.124 0.871 1.00 0.00 C ATOM 229 O PRO A 20 3.098 14.239 0.030 1.00 0.00 O ATOM 230 CB PRO A 20 3.805 14.449 3.226 1.00 0.00 C ATOM 231 CG PRO A 20 3.607 12.972 3.257 1.00 0.00 C ATOM 232 CD PRO A 20 2.126 12.751 3.113 1.00 0.00 C ATOM 0 HA PRO A 20 2.336 15.954 2.554 1.00 0.00 H new ATOM 0 HB2 PRO A 20 4.799 14.708 2.861 1.00 0.00 H new ATOM 0 HB3 PRO A 20 3.709 14.882 4.221 1.00 0.00 H new ATOM 0 HG2 PRO A 20 4.155 12.488 2.449 1.00 0.00 H new ATOM 0 HG3 PRO A 20 3.976 12.548 4.191 1.00 0.00 H new ATOM 0 HD2 PRO A 20 1.908 11.832 2.569 1.00 0.00 H new ATOM 0 HD3 PRO A 20 1.635 12.672 4.083 1.00 0.00 H new ATOM 240 N THR A 21 3.911 16.255 0.613 1.00 0.00 N ATOM 241 CA THR A 21 4.481 16.527 -0.700 1.00 0.00 C ATOM 242 C THR A 21 5.944 16.105 -0.762 1.00 0.00 C ATOM 243 O THR A 21 6.382 15.488 -1.732 1.00 0.00 O ATOM 244 CB THR A 21 4.372 18.020 -1.061 1.00 0.00 C ATOM 245 OG1 THR A 21 5.001 18.816 -0.050 1.00 0.00 O ATOM 246 CG2 THR A 21 2.917 18.437 -1.210 1.00 0.00 C ATOM 0 H THR A 21 4.056 16.998 1.297 1.00 0.00 H new ATOM 0 HA THR A 21 3.907 15.944 -1.421 1.00 0.00 H new ATOM 0 HB THR A 21 4.877 18.178 -2.014 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.929 19.764 -0.288 1.00 0.00 H new ATOM 0 HG21 THR A 21 2.866 19.496 -1.465 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.450 17.850 -2.001 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.391 18.264 -0.271 1.00 0.00 H new ATOM 254 N GLY A 22 6.698 16.443 0.280 1.00 0.00 N ATOM 255 CA GLY A 22 8.105 16.091 0.324 1.00 0.00 C ATOM 256 C GLY A 22 8.328 14.645 0.720 1.00 0.00 C ATOM 257 O GLY A 22 8.375 14.319 1.907 1.00 0.00 O ATOM 0 H GLY A 22 6.359 16.955 1.095 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.552 16.270 -0.654 1.00 0.00 H new ATOM 0 HA3 GLY A 22 8.617 16.742 1.033 1.00 0.00 H new ATOM 261 N LEU A 23 8.465 13.775 -0.274 1.00 0.00 N ATOM 262 CA LEU A 23 8.684 12.355 -0.023 1.00 0.00 C ATOM 263 C LEU A 23 10.135 11.970 -0.294 1.00 0.00 C ATOM 264 O LEU A 23 10.492 11.599 -1.413 1.00 0.00 O ATOM 265 CB LEU A 23 7.750 11.513 -0.895 1.00 0.00 C ATOM 266 CG LEU A 23 6.273 11.522 -0.500 1.00 0.00 C ATOM 267 CD1 LEU A 23 5.596 12.792 -0.992 1.00 0.00 C ATOM 268 CD2 LEU A 23 5.567 10.291 -1.049 1.00 0.00 C ATOM 0 H LEU A 23 8.428 14.028 -1.261 1.00 0.00 H new ATOM 0 HA LEU A 23 8.466 12.160 1.027 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.832 11.863 -1.924 1.00 0.00 H new ATOM 0 HB3 LEU A 23 8.103 10.482 -0.880 1.00 0.00 H new ATOM 0 HG LEU A 23 6.207 11.499 0.588 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.545 12.780 -0.701 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.085 13.660 -0.550 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.671 12.847 -2.078 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.517 10.314 -0.758 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.642 10.283 -2.136 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.035 9.393 -0.646 1.00 0.00 H new ATOM 280 N THR A 24 10.968 12.061 0.738 1.00 0.00 N ATOM 281 CA THR A 24 12.380 11.722 0.612 1.00 0.00 C ATOM 282 C THR A 24 12.571 10.465 -0.229 1.00 0.00 C ATOM 283 O THR A 24 13.298 10.474 -1.221 1.00 0.00 O ATOM 284 CB THR A 24 13.032 11.507 1.991 1.00 0.00 C ATOM 285 OG1 THR A 24 12.358 10.456 2.692 1.00 0.00 O ATOM 286 CG2 THR A 24 12.986 12.784 2.816 1.00 0.00 C ATOM 0 H THR A 24 10.689 12.367 1.670 1.00 0.00 H new ATOM 0 HA THR A 24 12.864 12.564 0.117 1.00 0.00 H new ATOM 0 HB THR A 24 14.075 11.230 1.837 1.00 0.00 H new ATOM 0 HG1 THR A 24 12.779 10.324 3.567 1.00 0.00 H new ATOM 0 HG21 THR A 24 13.452 12.608 3.785 1.00 0.00 H new ATOM 0 HG22 THR A 24 13.524 13.575 2.293 1.00 0.00 H new ATOM 0 HG23 THR A 24 11.949 13.086 2.962 1.00 0.00 H new ATOM 294 N GLY A 25 11.912 9.383 0.174 1.00 0.00 N ATOM 295 CA GLY A 25 12.022 8.132 -0.554 1.00 0.00 C ATOM 296 C GLY A 25 12.098 6.930 0.365 1.00 0.00 C ATOM 297 O GLY A 25 11.715 7.007 1.532 1.00 0.00 O ATOM 0 H GLY A 25 11.304 9.350 0.992 1.00 0.00 H new ATOM 0 HA2 GLY A 25 11.163 8.025 -1.217 1.00 0.00 H new ATOM 0 HA3 GLY A 25 12.910 8.160 -1.185 1.00 0.00 H new ATOM 301 N GLY A 26 12.591 5.813 -0.162 1.00 0.00 N ATOM 302 CA GLY A 26 12.704 4.605 0.634 1.00 0.00 C ATOM 303 C GLY A 26 11.423 3.794 0.642 1.00 0.00 C ATOM 304 O GLY A 26 11.452 2.573 0.487 1.00 0.00 O ATOM 0 H GLY A 26 12.914 5.723 -1.125 1.00 0.00 H new ATOM 0 HA2 GLY A 26 13.516 3.992 0.244 1.00 0.00 H new ATOM 0 HA3 GLY A 26 12.968 4.871 1.657 1.00 0.00 H new ATOM 308 N VAL A 27 10.295 4.473 0.825 1.00 0.00 N ATOM 309 CA VAL A 27 8.998 3.808 0.854 1.00 0.00 C ATOM 310 C VAL A 27 8.322 3.864 -0.512 1.00 0.00 C ATOM 311 O VAL A 27 8.400 4.872 -1.215 1.00 0.00 O ATOM 312 CB VAL A 27 8.065 4.443 1.903 1.00 0.00 C ATOM 313 CG1 VAL A 27 6.716 3.740 1.911 1.00 0.00 C ATOM 314 CG2 VAL A 27 8.707 4.400 3.281 1.00 0.00 C ATOM 0 H VAL A 27 10.253 5.484 0.955 1.00 0.00 H new ATOM 0 HA VAL A 27 9.181 2.768 1.124 1.00 0.00 H new ATOM 0 HB VAL A 27 7.902 5.487 1.636 1.00 0.00 H new ATOM 0 HG11 VAL A 27 6.070 4.201 2.658 1.00 0.00 H new ATOM 0 HG12 VAL A 27 6.254 3.828 0.928 1.00 0.00 H new ATOM 0 HG13 VAL A 27 6.856 2.687 2.154 1.00 0.00 H new ATOM 0 HG21 VAL A 27 8.035 4.853 4.010 1.00 0.00 H new ATOM 0 HG22 VAL A 27 8.901 3.364 3.560 1.00 0.00 H new ATOM 0 HG23 VAL A 27 9.646 4.952 3.262 1.00 0.00 H new ATOM 324 N THR A 28 7.657 2.774 -0.881 1.00 0.00 N ATOM 325 CA THR A 28 6.967 2.698 -2.163 1.00 0.00 C ATOM 326 C THR A 28 5.463 2.879 -1.989 1.00 0.00 C ATOM 327 O THR A 28 4.846 2.241 -1.136 1.00 0.00 O ATOM 328 CB THR A 28 7.232 1.352 -2.865 1.00 0.00 C ATOM 329 OG1 THR A 28 8.633 1.058 -2.845 1.00 0.00 O ATOM 330 CG2 THR A 28 6.736 1.384 -4.302 1.00 0.00 C ATOM 0 H THR A 28 7.582 1.932 -0.311 1.00 0.00 H new ATOM 0 HA THR A 28 7.359 3.506 -2.781 1.00 0.00 H new ATOM 0 HB THR A 28 6.690 0.574 -2.328 1.00 0.00 H new ATOM 0 HG1 THR A 28 8.794 0.200 -3.291 1.00 0.00 H new ATOM 0 HG21 THR A 28 6.934 0.423 -4.777 1.00 0.00 H new ATOM 0 HG22 THR A 28 5.664 1.580 -4.313 1.00 0.00 H new ATOM 0 HG23 THR A 28 7.254 2.172 -4.848 1.00 0.00 H new ATOM 338 N ILE A 29 4.880 3.752 -2.803 1.00 0.00 N ATOM 339 CA ILE A 29 3.447 4.016 -2.740 1.00 0.00 C ATOM 340 C ILE A 29 2.647 2.834 -3.277 1.00 0.00 C ATOM 341 O ILE A 29 2.964 2.283 -4.332 1.00 0.00 O ATOM 342 CB ILE A 29 3.072 5.279 -3.536 1.00 0.00 C ATOM 343 CG1 ILE A 29 3.452 6.536 -2.750 1.00 0.00 C ATOM 344 CG2 ILE A 29 1.585 5.280 -3.859 1.00 0.00 C ATOM 345 CD1 ILE A 29 2.834 6.595 -1.370 1.00 0.00 C ATOM 0 H ILE A 29 5.377 4.289 -3.514 1.00 0.00 H new ATOM 0 HA ILE A 29 3.200 4.172 -1.690 1.00 0.00 H new ATOM 0 HB ILE A 29 3.628 5.277 -4.474 1.00 0.00 H new ATOM 0 HG12 ILE A 29 4.537 6.582 -2.656 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.144 7.415 -3.315 1.00 0.00 H new ATOM 0 HG21 ILE A 29 1.336 6.179 -4.422 1.00 0.00 H new ATOM 0 HG22 ILE A 29 1.341 4.400 -4.454 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.011 5.261 -2.932 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.146 7.512 -0.870 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.748 6.581 -1.457 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.162 5.734 -0.787 1.00 0.00 H new ATOM 357 N PHE A 30 1.606 2.450 -2.545 1.00 0.00 N ATOM 358 CA PHE A 30 0.759 1.334 -2.948 1.00 0.00 C ATOM 359 C PHE A 30 -0.715 1.665 -2.734 1.00 0.00 C ATOM 360 O PHE A 30 -1.082 2.306 -1.749 1.00 0.00 O ATOM 361 CB PHE A 30 1.129 0.075 -2.161 1.00 0.00 C ATOM 362 CG PHE A 30 2.222 -0.733 -2.802 1.00 0.00 C ATOM 363 CD1 PHE A 30 3.526 -0.265 -2.823 1.00 0.00 C ATOM 364 CD2 PHE A 30 1.945 -1.960 -3.383 1.00 0.00 C ATOM 365 CE1 PHE A 30 4.533 -1.005 -3.413 1.00 0.00 C ATOM 366 CE2 PHE A 30 2.948 -2.705 -3.974 1.00 0.00 C ATOM 367 CZ PHE A 30 4.244 -2.227 -3.988 1.00 0.00 C ATOM 0 H PHE A 30 1.329 2.895 -1.670 1.00 0.00 H new ATOM 0 HA PHE A 30 0.922 1.152 -4.010 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.442 0.362 -1.157 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.242 -0.550 -2.052 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.758 0.689 -2.373 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.934 -2.339 -3.374 1.00 0.00 H new ATOM 0 HE1 PHE A 30 5.545 -0.628 -3.424 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.719 -3.660 -4.424 1.00 0.00 H new ATOM 0 HZ PHE A 30 5.030 -2.808 -4.448 1.00 0.00 H new ATOM 377 N VAL A 31 -1.556 1.224 -3.664 1.00 0.00 N ATOM 378 CA VAL A 31 -2.990 1.472 -3.578 1.00 0.00 C ATOM 379 C VAL A 31 -3.770 0.165 -3.489 1.00 0.00 C ATOM 380 O VAL A 31 -3.400 -0.833 -4.106 1.00 0.00 O ATOM 381 CB VAL A 31 -3.494 2.277 -4.791 1.00 0.00 C ATOM 382 CG1 VAL A 31 -4.979 2.033 -5.014 1.00 0.00 C ATOM 383 CG2 VAL A 31 -3.211 3.759 -4.601 1.00 0.00 C ATOM 0 H VAL A 31 -1.269 0.693 -4.486 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.157 2.053 -2.671 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.958 1.939 -5.678 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.317 2.610 -5.875 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.150 0.972 -5.198 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.535 2.342 -4.129 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.574 4.313 -5.467 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.719 4.114 -3.705 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.137 3.914 -4.495 1.00 0.00 H new ATOM 393 N ALA A 32 -4.852 0.180 -2.718 1.00 0.00 N ATOM 394 CA ALA A 32 -5.686 -1.004 -2.550 1.00 0.00 C ATOM 395 C ALA A 32 -6.774 -1.064 -3.617 1.00 0.00 C ATOM 396 O ALA A 32 -7.675 -0.224 -3.649 1.00 0.00 O ATOM 397 CB ALA A 32 -6.306 -1.020 -1.161 1.00 0.00 C ATOM 0 H ALA A 32 -5.172 0.998 -2.200 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.052 -1.884 -2.663 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -6.926 -1.909 -1.050 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.516 -1.032 -0.410 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -6.921 -0.130 -1.027 1.00 0.00 H new ATOM 403 N LEU A 33 -6.686 -2.062 -4.490 1.00 0.00 N ATOM 404 CA LEU A 33 -7.663 -2.231 -5.560 1.00 0.00 C ATOM 405 C LEU A 33 -8.943 -2.871 -5.032 1.00 0.00 C ATOM 406 O LEU A 33 -10.043 -2.538 -5.474 1.00 0.00 O ATOM 407 CB LEU A 33 -7.076 -3.089 -6.682 1.00 0.00 C ATOM 408 CG LEU A 33 -5.623 -2.798 -7.059 1.00 0.00 C ATOM 409 CD1 LEU A 33 -5.128 -3.801 -8.090 1.00 0.00 C ATOM 410 CD2 LEU A 33 -5.482 -1.377 -7.585 1.00 0.00 C ATOM 0 H LEU A 33 -5.948 -2.766 -4.478 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.907 -1.245 -5.955 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.152 -4.136 -6.389 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.694 -2.961 -7.571 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.009 -2.895 -6.163 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.092 -3.578 -8.346 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.191 -4.808 -7.678 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.745 -3.736 -8.986 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.441 -1.188 -7.848 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.108 -1.252 -8.468 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.796 -0.671 -6.816 1.00 0.00 H new ATOM 422 N TYR A 34 -8.792 -3.788 -4.083 1.00 0.00 N ATOM 423 CA TYR A 34 -9.936 -4.475 -3.495 1.00 0.00 C ATOM 424 C TYR A 34 -10.045 -4.171 -2.003 1.00 0.00 C ATOM 425 O TYR A 34 -9.036 -4.009 -1.316 1.00 0.00 O ATOM 426 CB TYR A 34 -9.818 -5.984 -3.712 1.00 0.00 C ATOM 427 CG TYR A 34 -9.096 -6.358 -4.986 1.00 0.00 C ATOM 428 CD1 TYR A 34 -9.758 -6.360 -6.208 1.00 0.00 C ATOM 429 CD2 TYR A 34 -7.752 -6.710 -4.969 1.00 0.00 C ATOM 430 CE1 TYR A 34 -9.102 -6.702 -7.375 1.00 0.00 C ATOM 431 CE2 TYR A 34 -7.088 -7.052 -6.131 1.00 0.00 C ATOM 432 CZ TYR A 34 -7.767 -7.046 -7.332 1.00 0.00 C ATOM 433 OH TYR A 34 -7.110 -7.387 -8.491 1.00 0.00 O ATOM 0 H TYR A 34 -7.889 -4.073 -3.704 1.00 0.00 H new ATOM 0 HA TYR A 34 -10.838 -4.114 -3.988 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -9.293 -6.424 -2.864 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -10.817 -6.419 -3.729 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -10.803 -6.090 -6.246 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -7.217 -6.716 -4.031 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -9.632 -6.700 -8.316 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -6.043 -7.323 -6.100 1.00 0.00 H new ATOM 0 HH TYR A 34 -6.176 -7.601 -8.287 1.00 0.00 H new ATOM 443 N ASP A 35 -11.276 -4.096 -1.510 1.00 0.00 N ATOM 444 CA ASP A 35 -11.519 -3.814 -0.100 1.00 0.00 C ATOM 445 C ASP A 35 -11.143 -5.012 0.766 1.00 0.00 C ATOM 446 O ASP A 35 -11.462 -6.154 0.437 1.00 0.00 O ATOM 447 CB ASP A 35 -12.988 -3.450 0.123 1.00 0.00 C ATOM 448 CG ASP A 35 -13.935 -4.457 -0.499 1.00 0.00 C ATOM 449 OD1 ASP A 35 -13.521 -5.618 -0.696 1.00 0.00 O ATOM 450 OD2 ASP A 35 -15.091 -4.083 -0.787 1.00 0.00 O ATOM 0 H ASP A 35 -12.121 -4.227 -2.066 1.00 0.00 H new ATOM 0 HA ASP A 35 -10.895 -2.969 0.189 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -13.184 -3.384 1.193 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -13.183 -2.464 -0.298 1.00 0.00 H new ATOM 455 N TYR A 36 -10.461 -4.743 1.874 1.00 0.00 N ATOM 456 CA TYR A 36 -10.037 -5.798 2.786 1.00 0.00 C ATOM 457 C TYR A 36 -10.288 -5.398 4.237 1.00 0.00 C ATOM 458 O TYR A 36 -10.337 -4.213 4.565 1.00 0.00 O ATOM 459 CB TYR A 36 -8.554 -6.114 2.581 1.00 0.00 C ATOM 460 CG TYR A 36 -7.995 -7.082 3.599 1.00 0.00 C ATOM 461 CD1 TYR A 36 -8.162 -8.453 3.447 1.00 0.00 C ATOM 462 CD2 TYR A 36 -7.301 -6.626 4.713 1.00 0.00 C ATOM 463 CE1 TYR A 36 -7.653 -9.342 4.374 1.00 0.00 C ATOM 464 CE2 TYR A 36 -6.787 -7.508 5.644 1.00 0.00 C ATOM 465 CZ TYR A 36 -6.966 -8.864 5.471 1.00 0.00 C ATOM 466 OH TYR A 36 -6.458 -9.746 6.397 1.00 0.00 O ATOM 0 H TYR A 36 -10.190 -3.803 2.162 1.00 0.00 H new ATOM 0 HA TYR A 36 -10.625 -6.690 2.567 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -8.414 -6.529 1.583 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -7.984 -5.186 2.623 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -8.699 -8.830 2.589 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -7.161 -5.564 4.853 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -7.792 -10.405 4.241 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -6.248 -7.137 6.503 1.00 0.00 H new ATOM 0 HH TYR A 36 -5.566 -10.038 6.116 1.00 0.00 H new ATOM 476 N GLU A 37 -10.445 -6.396 5.101 1.00 0.00 N ATOM 477 CA GLU A 37 -10.690 -6.148 6.517 1.00 0.00 C ATOM 478 C GLU A 37 -9.629 -6.824 7.380 1.00 0.00 C ATOM 479 O GLU A 37 -9.482 -8.046 7.357 1.00 0.00 O ATOM 480 CB GLU A 37 -12.080 -6.650 6.912 1.00 0.00 C ATOM 481 CG GLU A 37 -12.440 -6.370 8.361 1.00 0.00 C ATOM 482 CD GLU A 37 -12.955 -4.959 8.572 1.00 0.00 C ATOM 483 OE1 GLU A 37 -13.920 -4.570 7.882 1.00 0.00 O ATOM 484 OE2 GLU A 37 -12.393 -4.244 9.428 1.00 0.00 O ATOM 0 H GLU A 37 -10.407 -7.383 4.846 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.638 -5.072 6.685 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -12.823 -6.183 6.265 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -12.133 -7.724 6.734 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -13.198 -7.082 8.687 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -11.562 -6.530 8.987 1.00 0.00 H new ATOM 491 N ALA A 38 -8.892 -6.021 8.139 1.00 0.00 N ATOM 492 CA ALA A 38 -7.845 -6.541 9.010 1.00 0.00 C ATOM 493 C ALA A 38 -8.380 -7.650 9.909 1.00 0.00 C ATOM 494 O ALA A 38 -9.118 -7.391 10.860 1.00 0.00 O ATOM 495 CB ALA A 38 -7.252 -5.419 9.850 1.00 0.00 C ATOM 0 H ALA A 38 -9.000 -5.007 8.169 1.00 0.00 H new ATOM 0 HA ALA A 38 -7.061 -6.964 8.382 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -6.471 -5.821 10.496 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -6.825 -4.660 9.194 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -8.034 -4.971 10.463 1.00 0.00 H new ATOM 501 N ARG A 39 -8.005 -8.888 9.601 1.00 0.00 N ATOM 502 CA ARG A 39 -8.449 -10.037 10.380 1.00 0.00 C ATOM 503 C ARG A 39 -8.191 -9.818 11.868 1.00 0.00 C ATOM 504 O ARG A 39 -8.853 -10.413 12.719 1.00 0.00 O ATOM 505 CB ARG A 39 -7.735 -11.306 9.909 1.00 0.00 C ATOM 506 CG ARG A 39 -8.086 -11.710 8.487 1.00 0.00 C ATOM 507 CD ARG A 39 -7.966 -13.213 8.289 1.00 0.00 C ATOM 508 NE ARG A 39 -8.944 -13.949 9.085 1.00 0.00 N ATOM 509 CZ ARG A 39 -8.868 -15.255 9.318 1.00 0.00 C ATOM 510 NH1 ARG A 39 -7.865 -15.964 8.818 1.00 0.00 N ATOM 511 NH2 ARG A 39 -9.797 -15.854 10.052 1.00 0.00 N ATOM 0 H ARG A 39 -7.395 -9.120 8.817 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.522 -10.154 10.228 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.658 -11.154 9.979 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -7.986 -12.125 10.583 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -9.103 -11.392 8.258 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -7.426 -11.196 7.788 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -8.103 -13.452 7.234 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -6.961 -13.535 8.561 1.00 0.00 H new ATOM 0 HE ARG A 39 -9.728 -13.433 9.484 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -7.149 -15.507 8.253 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -7.809 -16.966 8.999 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -10.570 -15.312 10.438 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -9.738 -16.857 10.230 1.00 0.00 H new ATOM 525 N THR A 40 -7.223 -8.959 12.176 1.00 0.00 N ATOM 526 CA THR A 40 -6.876 -8.663 13.560 1.00 0.00 C ATOM 527 C THR A 40 -5.848 -7.540 13.640 1.00 0.00 C ATOM 528 O THR A 40 -5.220 -7.186 12.642 1.00 0.00 O ATOM 529 CB THR A 40 -6.319 -9.906 14.278 1.00 0.00 C ATOM 530 OG1 THR A 40 -5.679 -9.520 15.500 1.00 0.00 O ATOM 531 CG2 THR A 40 -5.328 -10.645 13.392 1.00 0.00 C ATOM 0 H THR A 40 -6.666 -8.457 11.485 1.00 0.00 H new ATOM 0 HA THR A 40 -7.794 -8.348 14.056 1.00 0.00 H new ATOM 0 HB THR A 40 -7.152 -10.574 14.499 1.00 0.00 H new ATOM 0 HG1 THR A 40 -5.329 -10.316 15.952 1.00 0.00 H new ATOM 0 HG21 THR A 40 -4.948 -11.519 13.921 1.00 0.00 H new ATOM 0 HG22 THR A 40 -5.826 -10.963 12.476 1.00 0.00 H new ATOM 0 HG23 THR A 40 -4.499 -9.983 13.143 1.00 0.00 H new ATOM 539 N THR A 41 -5.680 -6.982 14.835 1.00 0.00 N ATOM 540 CA THR A 41 -4.728 -5.899 15.046 1.00 0.00 C ATOM 541 C THR A 41 -3.463 -6.111 14.222 1.00 0.00 C ATOM 542 O THR A 41 -2.982 -5.192 13.560 1.00 0.00 O ATOM 543 CB THR A 41 -4.344 -5.770 16.532 1.00 0.00 C ATOM 544 OG1 THR A 41 -3.681 -6.961 16.971 1.00 0.00 O ATOM 545 CG2 THR A 41 -5.575 -5.523 17.390 1.00 0.00 C ATOM 0 H THR A 41 -6.191 -7.263 15.672 1.00 0.00 H new ATOM 0 HA THR A 41 -5.218 -4.980 14.724 1.00 0.00 H new ATOM 0 HB THR A 41 -3.671 -4.919 16.638 1.00 0.00 H new ATOM 0 HG1 THR A 41 -3.438 -6.871 17.916 1.00 0.00 H new ATOM 0 HG21 THR A 41 -5.278 -5.435 18.435 1.00 0.00 H new ATOM 0 HG22 THR A 41 -6.061 -4.601 17.072 1.00 0.00 H new ATOM 0 HG23 THR A 41 -6.269 -6.356 17.278 1.00 0.00 H new ATOM 553 N GLU A 42 -2.930 -7.328 14.267 1.00 0.00 N ATOM 554 CA GLU A 42 -1.720 -7.658 13.524 1.00 0.00 C ATOM 555 C GLU A 42 -1.824 -7.186 12.076 1.00 0.00 C ATOM 556 O GLU A 42 -0.917 -6.535 11.557 1.00 0.00 O ATOM 557 CB GLU A 42 -1.467 -9.167 13.562 1.00 0.00 C ATOM 558 CG GLU A 42 -1.438 -9.743 14.968 1.00 0.00 C ATOM 559 CD GLU A 42 -0.653 -11.038 15.052 1.00 0.00 C ATOM 560 OE1 GLU A 42 -1.029 -12.006 14.359 1.00 0.00 O ATOM 561 OE2 GLU A 42 0.338 -11.083 15.811 1.00 0.00 O ATOM 0 H GLU A 42 -3.317 -8.100 14.809 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.883 -7.144 13.997 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.243 -9.672 12.987 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.517 -9.380 13.071 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -0.999 -9.012 15.647 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.459 -9.919 15.306 1.00 0.00 H new ATOM 568 N ASP A 43 -2.936 -7.520 11.430 1.00 0.00 N ATOM 569 CA ASP A 43 -3.161 -7.130 10.043 1.00 0.00 C ATOM 570 C ASP A 43 -3.561 -5.661 9.949 1.00 0.00 C ATOM 571 O ASP A 43 -3.969 -5.053 10.940 1.00 0.00 O ATOM 572 CB ASP A 43 -4.244 -8.008 9.414 1.00 0.00 C ATOM 573 CG ASP A 43 -3.675 -9.254 8.765 1.00 0.00 C ATOM 574 OD1 ASP A 43 -2.486 -9.233 8.381 1.00 0.00 O ATOM 575 OD2 ASP A 43 -4.417 -10.250 8.641 1.00 0.00 O ATOM 0 H ASP A 43 -3.696 -8.060 11.845 1.00 0.00 H new ATOM 0 HA ASP A 43 -2.228 -7.269 9.496 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -4.963 -8.297 10.180 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -4.788 -7.430 8.668 1.00 0.00 H new ATOM 580 N LEU A 44 -3.440 -5.096 8.753 1.00 0.00 N ATOM 581 CA LEU A 44 -3.787 -3.697 8.529 1.00 0.00 C ATOM 582 C LEU A 44 -5.117 -3.578 7.791 1.00 0.00 C ATOM 583 O LEU A 44 -5.329 -4.224 6.765 1.00 0.00 O ATOM 584 CB LEU A 44 -2.684 -2.998 7.733 1.00 0.00 C ATOM 585 CG LEU A 44 -2.502 -1.504 8.008 1.00 0.00 C ATOM 586 CD1 LEU A 44 -1.727 -0.845 6.878 1.00 0.00 C ATOM 587 CD2 LEU A 44 -3.852 -0.828 8.197 1.00 0.00 C ATOM 0 H LEU A 44 -3.104 -5.585 7.923 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.887 -3.213 9.500 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.740 -3.503 7.938 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.891 -3.129 6.671 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.930 -1.390 8.929 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.607 0.217 7.090 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.745 -1.311 6.790 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.272 -0.969 5.942 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.703 0.234 8.392 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.450 -0.951 7.294 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.371 -1.282 9.041 1.00 0.00 H new ATOM 599 N SER A 45 -6.008 -2.745 8.319 1.00 0.00 N ATOM 600 CA SER A 45 -7.318 -2.542 7.710 1.00 0.00 C ATOM 601 C SER A 45 -7.254 -1.468 6.628 1.00 0.00 C ATOM 602 O SER A 45 -6.942 -0.310 6.904 1.00 0.00 O ATOM 603 CB SER A 45 -8.343 -2.147 8.776 1.00 0.00 C ATOM 604 OG SER A 45 -8.043 -0.876 9.325 1.00 0.00 O ATOM 0 H SER A 45 -5.847 -2.200 9.166 1.00 0.00 H new ATOM 0 HA SER A 45 -7.626 -3.480 7.248 1.00 0.00 H new ATOM 0 HB2 SER A 45 -9.341 -2.131 8.337 1.00 0.00 H new ATOM 0 HB3 SER A 45 -8.355 -2.895 9.568 1.00 0.00 H new ATOM 0 HG SER A 45 -7.655 -0.303 8.631 1.00 0.00 H new ATOM 610 N PHE A 46 -7.551 -1.863 5.394 1.00 0.00 N ATOM 611 CA PHE A 46 -7.527 -0.936 4.269 1.00 0.00 C ATOM 612 C PHE A 46 -8.755 -1.123 3.383 1.00 0.00 C ATOM 613 O PHE A 46 -9.345 -2.203 3.339 1.00 0.00 O ATOM 614 CB PHE A 46 -6.254 -1.136 3.444 1.00 0.00 C ATOM 615 CG PHE A 46 -6.066 -2.547 2.964 1.00 0.00 C ATOM 616 CD1 PHE A 46 -5.454 -3.491 3.772 1.00 0.00 C ATOM 617 CD2 PHE A 46 -6.502 -2.929 1.706 1.00 0.00 C ATOM 618 CE1 PHE A 46 -5.279 -4.790 3.333 1.00 0.00 C ATOM 619 CE2 PHE A 46 -6.330 -4.226 1.261 1.00 0.00 C ATOM 620 CZ PHE A 46 -5.719 -5.158 2.076 1.00 0.00 C ATOM 0 H PHE A 46 -7.811 -2.818 5.148 1.00 0.00 H new ATOM 0 HA PHE A 46 -7.539 0.079 4.666 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -6.280 -0.468 2.583 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -5.392 -0.847 4.045 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -5.110 -3.209 4.756 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -6.982 -2.204 1.065 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -4.799 -5.516 3.972 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -6.673 -4.510 0.277 1.00 0.00 H new ATOM 0 HZ PHE A 46 -5.585 -6.173 1.732 1.00 0.00 H new ATOM 630 N LYS A 47 -9.137 -0.063 2.679 1.00 0.00 N ATOM 631 CA LYS A 47 -10.294 -0.108 1.793 1.00 0.00 C ATOM 632 C LYS A 47 -9.879 0.124 0.344 1.00 0.00 C ATOM 633 O LYS A 47 -8.758 0.552 0.069 1.00 0.00 O ATOM 634 CB LYS A 47 -11.325 0.941 2.214 1.00 0.00 C ATOM 635 CG LYS A 47 -12.030 0.612 3.519 1.00 0.00 C ATOM 636 CD LYS A 47 -13.089 -0.460 3.326 1.00 0.00 C ATOM 637 CE LYS A 47 -13.936 -0.638 4.577 1.00 0.00 C ATOM 638 NZ LYS A 47 -14.955 0.439 4.715 1.00 0.00 N ATOM 0 H LYS A 47 -8.661 0.839 2.705 1.00 0.00 H new ATOM 0 HA LYS A 47 -10.741 -1.099 1.870 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -10.829 1.907 2.312 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -12.069 1.044 1.425 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -11.299 0.274 4.253 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -12.493 1.513 3.921 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -13.730 -0.193 2.486 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -12.609 -1.405 3.072 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -14.434 -1.607 4.543 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -13.290 -0.642 5.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -15.511 0.282 5.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -14.479 1.362 4.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -15.587 0.427 3.889 1.00 0.00 H new ATOM 652 N LYS A 48 -10.791 -0.159 -0.581 1.00 0.00 N ATOM 653 CA LYS A 48 -10.522 0.022 -2.002 1.00 0.00 C ATOM 654 C LYS A 48 -10.315 1.496 -2.334 1.00 0.00 C ATOM 655 O LYS A 48 -11.245 2.297 -2.249 1.00 0.00 O ATOM 656 CB LYS A 48 -11.674 -0.543 -2.836 1.00 0.00 C ATOM 657 CG LYS A 48 -11.510 -0.320 -4.330 1.00 0.00 C ATOM 658 CD LYS A 48 -12.417 -1.237 -5.133 1.00 0.00 C ATOM 659 CE LYS A 48 -12.273 -0.993 -6.628 1.00 0.00 C ATOM 660 NZ LYS A 48 -12.955 -2.046 -7.430 1.00 0.00 N ATOM 0 H LYS A 48 -11.724 -0.515 -0.371 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.607 -0.518 -2.244 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -11.760 -1.613 -2.644 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -12.607 -0.084 -2.509 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -11.736 0.719 -4.571 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.472 -0.494 -4.613 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -12.177 -2.276 -4.908 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -13.453 -1.077 -4.835 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -12.691 -0.018 -6.879 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -11.216 -0.964 -6.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -12.834 -1.844 -8.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -12.539 -2.974 -7.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -13.969 -2.057 -7.198 1.00 0.00 H new ATOM 674 N GLY A 49 -9.090 1.847 -2.713 1.00 0.00 N ATOM 675 CA GLY A 49 -8.784 3.224 -3.053 1.00 0.00 C ATOM 676 C GLY A 49 -8.060 3.950 -1.936 1.00 0.00 C ATOM 677 O GLY A 49 -8.139 5.173 -1.829 1.00 0.00 O ATOM 0 H GLY A 49 -8.304 1.202 -2.791 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -8.170 3.245 -3.953 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -9.709 3.752 -3.286 1.00 0.00 H new ATOM 681 N GLU A 50 -7.352 3.194 -1.103 1.00 0.00 N ATOM 682 CA GLU A 50 -6.613 3.774 0.013 1.00 0.00 C ATOM 683 C GLU A 50 -5.111 3.573 -0.167 1.00 0.00 C ATOM 684 O GLU A 50 -4.664 2.511 -0.602 1.00 0.00 O ATOM 685 CB GLU A 50 -7.068 3.150 1.334 1.00 0.00 C ATOM 686 CG GLU A 50 -6.694 3.973 2.556 1.00 0.00 C ATOM 687 CD GLU A 50 -7.706 5.061 2.859 1.00 0.00 C ATOM 688 OE1 GLU A 50 -8.199 5.695 1.903 1.00 0.00 O ATOM 689 OE2 GLU A 50 -8.004 5.276 4.052 1.00 0.00 O ATOM 0 H GLU A 50 -7.274 2.180 -1.179 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.819 4.844 0.035 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -8.150 3.020 1.311 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -6.629 2.157 1.427 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -6.605 3.314 3.420 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -5.715 4.426 2.399 1.00 0.00 H new ATOM 696 N ARG A 51 -4.338 4.600 0.170 1.00 0.00 N ATOM 697 CA ARG A 51 -2.887 4.537 0.044 1.00 0.00 C ATOM 698 C ARG A 51 -2.247 4.085 1.354 1.00 0.00 C ATOM 699 O ARG A 51 -2.863 4.162 2.417 1.00 0.00 O ATOM 700 CB ARG A 51 -2.330 5.902 -0.363 1.00 0.00 C ATOM 701 CG ARG A 51 -2.775 6.354 -1.744 1.00 0.00 C ATOM 702 CD ARG A 51 -1.734 7.246 -2.402 1.00 0.00 C ATOM 703 NE ARG A 51 -2.330 8.163 -3.369 1.00 0.00 N ATOM 704 CZ ARG A 51 -1.641 8.767 -4.331 1.00 0.00 C ATOM 705 NH1 ARG A 51 -0.338 8.552 -4.453 1.00 0.00 N ATOM 706 NH2 ARG A 51 -2.255 9.588 -5.174 1.00 0.00 N ATOM 0 H ARG A 51 -4.692 5.485 0.532 1.00 0.00 H new ATOM 0 HA ARG A 51 -2.646 3.808 -0.729 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.641 6.645 0.371 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -1.241 5.863 -0.336 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -2.957 5.482 -2.372 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -3.719 6.893 -1.665 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -1.210 7.818 -1.636 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -0.990 6.626 -2.902 1.00 0.00 H new ATOM 0 HE ARG A 51 -3.330 8.350 -3.302 1.00 0.00 H new ATOM 0 HH11 ARG A 51 0.138 7.922 -3.807 1.00 0.00 H new ATOM 0 HH12 ARG A 51 0.189 9.017 -5.193 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -3.257 9.756 -5.084 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -1.725 10.051 -5.912 1.00 0.00 H new ATOM 720 N PHE A 52 -1.007 3.613 1.268 1.00 0.00 N ATOM 721 CA PHE A 52 -0.284 3.147 2.446 1.00 0.00 C ATOM 722 C PHE A 52 1.219 3.113 2.183 1.00 0.00 C ATOM 723 O PHE A 52 1.663 2.686 1.118 1.00 0.00 O ATOM 724 CB PHE A 52 -0.773 1.756 2.853 1.00 0.00 C ATOM 725 CG PHE A 52 -2.268 1.652 2.956 1.00 0.00 C ATOM 726 CD1 PHE A 52 -3.036 1.385 1.834 1.00 0.00 C ATOM 727 CD2 PHE A 52 -2.906 1.823 4.174 1.00 0.00 C ATOM 728 CE1 PHE A 52 -4.412 1.288 1.924 1.00 0.00 C ATOM 729 CE2 PHE A 52 -4.281 1.728 4.271 1.00 0.00 C ATOM 730 CZ PHE A 52 -5.035 1.461 3.144 1.00 0.00 C ATOM 0 H PHE A 52 -0.483 3.543 0.396 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.477 3.845 3.260 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.415 1.027 2.126 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.331 1.491 3.814 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.553 1.251 0.877 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.322 2.033 5.058 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -4.998 1.077 1.042 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.766 1.862 5.227 1.00 0.00 H new ATOM 0 HZ PHE A 52 -6.110 1.388 3.217 1.00 0.00 H new ATOM 740 N GLN A 53 1.995 3.568 3.161 1.00 0.00 N ATOM 741 CA GLN A 53 3.447 3.591 3.035 1.00 0.00 C ATOM 742 C GLN A 53 4.048 2.241 3.412 1.00 0.00 C ATOM 743 O GLN A 53 3.987 1.825 4.569 1.00 0.00 O ATOM 744 CB GLN A 53 4.040 4.690 3.919 1.00 0.00 C ATOM 745 CG GLN A 53 3.988 6.072 3.288 1.00 0.00 C ATOM 746 CD GLN A 53 4.191 7.183 4.299 1.00 0.00 C ATOM 747 OE1 GLN A 53 3.875 7.030 5.479 1.00 0.00 O ATOM 748 NE2 GLN A 53 4.721 8.311 3.841 1.00 0.00 N ATOM 0 H GLN A 53 1.643 3.926 4.049 1.00 0.00 H new ATOM 0 HA GLN A 53 3.692 3.800 1.994 1.00 0.00 H new ATOM 0 HB2 GLN A 53 3.502 4.712 4.867 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.077 4.442 4.146 1.00 0.00 H new ATOM 0 HG2 GLN A 53 4.754 6.144 2.516 1.00 0.00 H new ATOM 0 HG3 GLN A 53 3.025 6.206 2.795 1.00 0.00 H new ATOM 0 HE21 GLN A 53 4.968 8.395 2.855 1.00 0.00 H new ATOM 0 HE22 GLN A 53 4.881 9.094 4.475 1.00 0.00 H new ATOM 757 N ILE A 54 4.626 1.561 2.428 1.00 0.00 N ATOM 758 CA ILE A 54 5.238 0.258 2.657 1.00 0.00 C ATOM 759 C ILE A 54 6.451 0.374 3.574 1.00 0.00 C ATOM 760 O ILE A 54 7.498 0.883 3.173 1.00 0.00 O ATOM 761 CB ILE A 54 5.670 -0.401 1.333 1.00 0.00 C ATOM 762 CG1 ILE A 54 4.481 -0.503 0.377 1.00 0.00 C ATOM 763 CG2 ILE A 54 6.265 -1.777 1.597 1.00 0.00 C ATOM 764 CD1 ILE A 54 3.321 -1.297 0.937 1.00 0.00 C ATOM 0 H ILE A 54 4.683 1.891 1.464 1.00 0.00 H new ATOM 0 HA ILE A 54 4.483 -0.366 3.135 1.00 0.00 H new ATOM 0 HB ILE A 54 6.434 0.221 0.866 1.00 0.00 H new ATOM 0 HG12 ILE A 54 4.137 0.501 0.129 1.00 0.00 H new ATOM 0 HG13 ILE A 54 4.812 -0.965 -0.553 1.00 0.00 H new ATOM 0 HG21 ILE A 54 6.566 -2.231 0.653 1.00 0.00 H new ATOM 0 HG22 ILE A 54 7.135 -1.679 2.246 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.521 -2.408 2.082 1.00 0.00 H new ATOM 0 HD11 ILE A 54 2.514 -1.328 0.205 1.00 0.00 H new ATOM 0 HD12 ILE A 54 3.649 -2.313 1.159 1.00 0.00 H new ATOM 0 HD13 ILE A 54 2.964 -0.823 1.851 1.00 0.00 H new ATOM 776 N ILE A 55 6.303 -0.104 4.805 1.00 0.00 N ATOM 777 CA ILE A 55 7.387 -0.056 5.778 1.00 0.00 C ATOM 778 C ILE A 55 8.355 -1.218 5.579 1.00 0.00 C ATOM 779 O ILE A 55 9.564 -1.021 5.473 1.00 0.00 O ATOM 780 CB ILE A 55 6.850 -0.090 7.221 1.00 0.00 C ATOM 781 CG1 ILE A 55 5.796 0.999 7.422 1.00 0.00 C ATOM 782 CG2 ILE A 55 7.990 0.079 8.214 1.00 0.00 C ATOM 783 CD1 ILE A 55 4.780 0.668 8.493 1.00 0.00 C ATOM 0 H ILE A 55 5.443 -0.529 5.152 1.00 0.00 H new ATOM 0 HA ILE A 55 7.914 0.884 5.618 1.00 0.00 H new ATOM 0 HB ILE A 55 6.382 -1.059 7.396 1.00 0.00 H new ATOM 0 HG12 ILE A 55 6.295 1.932 7.682 1.00 0.00 H new ATOM 0 HG13 ILE A 55 5.276 1.168 6.479 1.00 0.00 H new ATOM 0 HG21 ILE A 55 7.595 0.053 9.230 1.00 0.00 H new ATOM 0 HG22 ILE A 55 8.709 -0.730 8.084 1.00 0.00 H new ATOM 0 HG23 ILE A 55 8.484 1.035 8.041 1.00 0.00 H new ATOM 0 HD11 ILE A 55 4.064 1.485 8.580 1.00 0.00 H new ATOM 0 HD12 ILE A 55 4.254 -0.248 8.225 1.00 0.00 H new ATOM 0 HD13 ILE A 55 5.289 0.528 9.447 1.00 0.00 H new ATOM 795 N ASN A 56 7.812 -2.431 5.529 1.00 0.00 N ATOM 796 CA ASN A 56 8.628 -3.625 5.342 1.00 0.00 C ATOM 797 C ASN A 56 8.059 -4.504 4.232 1.00 0.00 C ATOM 798 O ASN A 56 6.865 -4.798 4.210 1.00 0.00 O ATOM 799 CB ASN A 56 8.710 -4.421 6.646 1.00 0.00 C ATOM 800 CG ASN A 56 9.958 -5.280 6.721 1.00 0.00 C ATOM 801 OD1 ASN A 56 10.370 -5.883 5.731 1.00 0.00 O ATOM 802 ND2 ASN A 56 10.565 -5.338 7.901 1.00 0.00 N ATOM 0 H ASN A 56 6.812 -2.612 5.615 1.00 0.00 H new ATOM 0 HA ASN A 56 9.630 -3.309 5.053 1.00 0.00 H new ATOM 0 HB2 ASN A 56 8.695 -3.732 7.491 1.00 0.00 H new ATOM 0 HB3 ASN A 56 7.829 -5.056 6.737 1.00 0.00 H new ATOM 0 HD21 ASN A 56 11.409 -5.900 8.013 1.00 0.00 H new ATOM 0 HD22 ASN A 56 10.187 -4.821 8.695 1.00 0.00 H new ATOM 809 N ASN A 57 8.923 -4.919 3.312 1.00 0.00 N ATOM 810 CA ASN A 57 8.507 -5.765 2.198 1.00 0.00 C ATOM 811 C ASN A 57 9.301 -7.067 2.178 1.00 0.00 C ATOM 812 O ASN A 57 9.775 -7.503 1.128 1.00 0.00 O ATOM 813 CB ASN A 57 8.688 -5.023 0.872 1.00 0.00 C ATOM 814 CG ASN A 57 10.133 -4.640 0.617 1.00 0.00 C ATOM 815 OD1 ASN A 57 10.412 -3.341 0.630 1.00 0.00 O flip ATOM 816 ND2 ASN A 57 10.988 -5.501 0.411 1.00 0.00 N flip ATOM 0 H ASN A 57 9.915 -4.684 3.315 1.00 0.00 H new ATOM 0 HA ASN A 57 7.452 -6.006 2.331 1.00 0.00 H new ATOM 0 HB2 ASN A 57 8.332 -5.651 0.056 1.00 0.00 H new ATOM 0 HB3 ASN A 57 8.072 -4.124 0.875 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.729 -6.487 0.410 1.00 0.00 H new ATOM 0 HD22 ASN A 57 11.956 -5.228 0.241 1.00 0.00 H new ATOM 823 N THR A 58 9.442 -7.686 3.346 1.00 0.00 N ATOM 824 CA THR A 58 10.178 -8.938 3.463 1.00 0.00 C ATOM 825 C THR A 58 9.251 -10.138 3.309 1.00 0.00 C ATOM 826 O THR A 58 9.598 -11.123 2.658 1.00 0.00 O ATOM 827 CB THR A 58 10.907 -9.037 4.817 1.00 0.00 C ATOM 828 OG1 THR A 58 11.577 -10.298 4.922 1.00 0.00 O ATOM 829 CG2 THR A 58 9.928 -8.880 5.971 1.00 0.00 C ATOM 0 H THR A 58 9.056 -7.340 4.224 1.00 0.00 H new ATOM 0 HA THR A 58 10.915 -8.947 2.660 1.00 0.00 H new ATOM 0 HB THR A 58 11.639 -8.232 4.870 1.00 0.00 H new ATOM 0 HG1 THR A 58 12.039 -10.352 5.785 1.00 0.00 H new ATOM 0 HG21 THR A 58 10.465 -8.953 6.917 1.00 0.00 H new ATOM 0 HG22 THR A 58 9.441 -7.907 5.905 1.00 0.00 H new ATOM 0 HG23 THR A 58 9.175 -9.667 5.919 1.00 0.00 H new ATOM 837 N GLU A 59 8.070 -10.048 3.913 1.00 0.00 N ATOM 838 CA GLU A 59 7.092 -11.128 3.842 1.00 0.00 C ATOM 839 C GLU A 59 6.193 -10.968 2.620 1.00 0.00 C ATOM 840 O GLU A 59 5.236 -10.195 2.637 1.00 0.00 O ATOM 841 CB GLU A 59 6.243 -11.161 5.114 1.00 0.00 C ATOM 842 CG GLU A 59 7.025 -11.543 6.359 1.00 0.00 C ATOM 843 CD GLU A 59 6.166 -12.238 7.398 1.00 0.00 C ATOM 844 OE1 GLU A 59 5.788 -13.406 7.169 1.00 0.00 O ATOM 845 OE2 GLU A 59 5.871 -11.614 8.439 1.00 0.00 O ATOM 0 H GLU A 59 7.767 -9.239 4.456 1.00 0.00 H new ATOM 0 HA GLU A 59 7.634 -12.070 3.752 1.00 0.00 H new ATOM 0 HB2 GLU A 59 5.792 -10.180 5.265 1.00 0.00 H new ATOM 0 HB3 GLU A 59 5.426 -11.869 4.977 1.00 0.00 H new ATOM 0 HG2 GLU A 59 7.850 -12.198 6.078 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.464 -10.647 6.797 1.00 0.00 H new ATOM 852 N GLY A 60 6.507 -11.706 1.560 1.00 0.00 N ATOM 853 CA GLY A 60 5.719 -11.632 0.344 1.00 0.00 C ATOM 854 C GLY A 60 4.232 -11.765 0.607 1.00 0.00 C ATOM 855 O GLY A 60 3.432 -10.983 0.093 1.00 0.00 O ATOM 0 H GLY A 60 7.294 -12.354 1.522 1.00 0.00 H new ATOM 0 HA2 GLY A 60 5.913 -10.682 -0.154 1.00 0.00 H new ATOM 0 HA3 GLY A 60 6.036 -12.420 -0.339 1.00 0.00 H new ATOM 859 N ASP A 61 3.862 -12.757 1.409 1.00 0.00 N ATOM 860 CA ASP A 61 2.461 -12.990 1.740 1.00 0.00 C ATOM 861 C ASP A 61 1.784 -11.696 2.182 1.00 0.00 C ATOM 862 O ASP A 61 0.755 -11.303 1.633 1.00 0.00 O ATOM 863 CB ASP A 61 2.343 -14.044 2.842 1.00 0.00 C ATOM 864 CG ASP A 61 2.974 -15.365 2.449 1.00 0.00 C ATOM 865 OD1 ASP A 61 2.898 -15.728 1.256 1.00 0.00 O ATOM 866 OD2 ASP A 61 3.544 -16.037 3.333 1.00 0.00 O ATOM 0 H ASP A 61 4.512 -13.413 1.842 1.00 0.00 H new ATOM 0 HA ASP A 61 1.958 -13.354 0.844 1.00 0.00 H new ATOM 0 HB2 ASP A 61 2.820 -13.672 3.749 1.00 0.00 H new ATOM 0 HB3 ASP A 61 1.291 -14.203 3.078 1.00 0.00 H new ATOM 871 N TRP A 62 2.368 -11.040 3.178 1.00 0.00 N ATOM 872 CA TRP A 62 1.821 -9.791 3.695 1.00 0.00 C ATOM 873 C TRP A 62 2.927 -8.768 3.930 1.00 0.00 C ATOM 874 O TRP A 62 3.998 -9.104 4.435 1.00 0.00 O ATOM 875 CB TRP A 62 1.059 -10.044 4.997 1.00 0.00 C ATOM 876 CG TRP A 62 -0.007 -11.090 4.867 1.00 0.00 C ATOM 877 CD1 TRP A 62 0.178 -12.428 4.670 1.00 0.00 C ATOM 878 CD2 TRP A 62 -1.423 -10.882 4.924 1.00 0.00 C ATOM 879 NE1 TRP A 62 -1.038 -13.066 4.601 1.00 0.00 N ATOM 880 CE2 TRP A 62 -2.035 -12.139 4.754 1.00 0.00 C ATOM 881 CE3 TRP A 62 -2.232 -9.757 5.103 1.00 0.00 C ATOM 882 CZ2 TRP A 62 -3.418 -12.300 4.757 1.00 0.00 C ATOM 883 CZ3 TRP A 62 -3.605 -9.918 5.106 1.00 0.00 C ATOM 884 CH2 TRP A 62 -4.187 -11.181 4.935 1.00 0.00 C ATOM 0 H TRP A 62 3.220 -11.352 3.644 1.00 0.00 H new ATOM 0 HA TRP A 62 1.133 -9.390 2.951 1.00 0.00 H new ATOM 0 HB2 TRP A 62 1.765 -10.349 5.770 1.00 0.00 H new ATOM 0 HB3 TRP A 62 0.604 -9.111 5.331 1.00 0.00 H new ATOM 0 HD1 TRP A 62 1.138 -12.914 4.581 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -1.175 -14.067 4.459 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -1.793 -8.779 5.237 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -3.868 -13.273 4.624 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -4.240 -9.055 5.243 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -5.263 -11.274 4.944 1.00 0.00 H new ATOM 895 N TRP A 63 2.661 -7.520 3.562 1.00 0.00 N ATOM 896 CA TRP A 63 3.635 -6.448 3.733 1.00 0.00 C ATOM 897 C TRP A 63 3.198 -5.486 4.832 1.00 0.00 C ATOM 898 O TRP A 63 2.008 -5.223 5.001 1.00 0.00 O ATOM 899 CB TRP A 63 3.824 -5.689 2.419 1.00 0.00 C ATOM 900 CG TRP A 63 4.483 -6.507 1.350 1.00 0.00 C ATOM 901 CD1 TRP A 63 5.287 -7.595 1.529 1.00 0.00 C ATOM 902 CD2 TRP A 63 4.394 -6.299 -0.064 1.00 0.00 C ATOM 903 NE1 TRP A 63 5.704 -8.078 0.312 1.00 0.00 N ATOM 904 CE2 TRP A 63 5.169 -7.301 -0.681 1.00 0.00 C ATOM 905 CE3 TRP A 63 3.734 -5.367 -0.869 1.00 0.00 C ATOM 906 CZ2 TRP A 63 5.302 -7.393 -2.064 1.00 0.00 C ATOM 907 CZ3 TRP A 63 3.866 -5.460 -2.242 1.00 0.00 C ATOM 908 CH2 TRP A 63 4.644 -6.467 -2.828 1.00 0.00 C ATOM 0 H TRP A 63 1.779 -7.225 3.143 1.00 0.00 H new ATOM 0 HA TRP A 63 4.585 -6.896 4.025 1.00 0.00 H new ATOM 0 HB2 TRP A 63 2.852 -5.351 2.060 1.00 0.00 H new ATOM 0 HB3 TRP A 63 4.423 -4.798 2.606 1.00 0.00 H new ATOM 0 HD1 TRP A 63 5.556 -8.015 2.487 1.00 0.00 H new ATOM 0 HE1 TRP A 63 6.313 -8.884 0.171 1.00 0.00 H new ATOM 0 HE3 TRP A 63 3.131 -4.588 -0.426 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 5.903 -8.167 -2.518 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 3.361 -4.744 -2.874 1.00 0.00 H new ATOM 0 HH2 TRP A 63 4.726 -6.514 -3.904 1.00 0.00 H new ATOM 919 N GLU A 64 4.168 -4.965 5.576 1.00 0.00 N ATOM 920 CA GLU A 64 3.881 -4.032 6.660 1.00 0.00 C ATOM 921 C GLU A 64 3.919 -2.590 6.161 1.00 0.00 C ATOM 922 O GLU A 64 4.956 -2.106 5.709 1.00 0.00 O ATOM 923 CB GLU A 64 4.885 -4.215 7.800 1.00 0.00 C ATOM 924 CG GLU A 64 4.535 -3.430 9.052 1.00 0.00 C ATOM 925 CD GLU A 64 5.340 -3.867 10.260 1.00 0.00 C ATOM 926 OE1 GLU A 64 6.581 -3.953 10.147 1.00 0.00 O ATOM 927 OE2 GLU A 64 4.729 -4.124 11.319 1.00 0.00 O ATOM 0 H GLU A 64 5.159 -5.173 5.449 1.00 0.00 H new ATOM 0 HA GLU A 64 2.878 -4.244 7.031 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.948 -5.274 8.051 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.873 -3.910 7.455 1.00 0.00 H new ATOM 0 HG2 GLU A 64 4.707 -2.369 8.871 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.473 -3.549 9.266 1.00 0.00 H new ATOM 934 N ALA A 65 2.780 -1.911 6.247 1.00 0.00 N ATOM 935 CA ALA A 65 2.683 -0.525 5.806 1.00 0.00 C ATOM 936 C ALA A 65 1.942 0.327 6.832 1.00 0.00 C ATOM 937 O ALA A 65 1.345 -0.197 7.772 1.00 0.00 O ATOM 938 CB ALA A 65 1.988 -0.449 4.454 1.00 0.00 C ATOM 0 H ALA A 65 1.912 -2.298 6.618 1.00 0.00 H new ATOM 0 HA ALA A 65 3.694 -0.130 5.706 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.922 0.592 4.137 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.558 -1.017 3.719 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.985 -0.867 4.537 1.00 0.00 H new ATOM 944 N ARG A 66 1.987 1.642 6.645 1.00 0.00 N ATOM 945 CA ARG A 66 1.321 2.566 7.555 1.00 0.00 C ATOM 946 C ARG A 66 0.431 3.539 6.788 1.00 0.00 C ATOM 947 O ARG A 66 0.921 4.467 6.143 1.00 0.00 O ATOM 948 CB ARG A 66 2.355 3.340 8.375 1.00 0.00 C ATOM 949 CG ARG A 66 1.750 4.427 9.249 1.00 0.00 C ATOM 950 CD ARG A 66 2.815 5.372 9.781 1.00 0.00 C ATOM 951 NE ARG A 66 3.496 4.827 10.952 1.00 0.00 N ATOM 952 CZ ARG A 66 4.698 5.224 11.355 1.00 0.00 C ATOM 953 NH1 ARG A 66 5.348 6.164 10.685 1.00 0.00 N ATOM 954 NH2 ARG A 66 5.251 4.679 12.431 1.00 0.00 N ATOM 0 H ARG A 66 2.478 2.091 5.872 1.00 0.00 H new ATOM 0 HA ARG A 66 0.694 1.984 8.230 1.00 0.00 H new ATOM 0 HB2 ARG A 66 2.903 2.641 9.007 1.00 0.00 H new ATOM 0 HB3 ARG A 66 3.079 3.792 7.697 1.00 0.00 H new ATOM 0 HG2 ARG A 66 1.016 4.991 8.674 1.00 0.00 H new ATOM 0 HG3 ARG A 66 1.218 3.970 10.083 1.00 0.00 H new ATOM 0 HD2 ARG A 66 3.546 5.572 8.997 1.00 0.00 H new ATOM 0 HD3 ARG A 66 2.356 6.326 10.040 1.00 0.00 H new ATOM 0 HE ARG A 66 3.023 4.101 11.490 1.00 0.00 H new ATOM 0 HH11 ARG A 66 4.926 6.585 9.857 1.00 0.00 H new ATOM 0 HH12 ARG A 66 6.271 6.467 10.997 1.00 0.00 H new ATOM 0 HH21 ARG A 66 4.753 3.955 12.949 1.00 0.00 H new ATOM 0 HH22 ARG A 66 6.174 4.984 12.740 1.00 0.00 H new ATOM 968 N SER A 67 -0.878 3.321 6.863 1.00 0.00 N ATOM 969 CA SER A 67 -1.836 4.176 6.172 1.00 0.00 C ATOM 970 C SER A 67 -1.500 5.649 6.382 1.00 0.00 C ATOM 971 O SER A 67 -1.081 6.052 7.468 1.00 0.00 O ATOM 972 CB SER A 67 -3.255 3.889 6.665 1.00 0.00 C ATOM 973 OG SER A 67 -3.426 2.513 6.956 1.00 0.00 O ATOM 0 H SER A 67 -1.299 2.560 7.395 1.00 0.00 H new ATOM 0 HA SER A 67 -1.778 3.957 5.106 1.00 0.00 H new ATOM 0 HB2 SER A 67 -3.460 4.481 7.557 1.00 0.00 H new ATOM 0 HB3 SER A 67 -3.976 4.196 5.907 1.00 0.00 H new ATOM 0 HG SER A 67 -3.425 2.000 6.121 1.00 0.00 H new ATOM 979 N ILE A 68 -1.686 6.447 5.336 1.00 0.00 N ATOM 980 CA ILE A 68 -1.404 7.875 5.406 1.00 0.00 C ATOM 981 C ILE A 68 -2.674 8.674 5.679 1.00 0.00 C ATOM 982 O ILE A 68 -2.624 9.762 6.251 1.00 0.00 O ATOM 983 CB ILE A 68 -0.760 8.386 4.104 1.00 0.00 C ATOM 984 CG1 ILE A 68 0.223 7.350 3.554 1.00 0.00 C ATOM 985 CG2 ILE A 68 -0.057 9.714 4.346 1.00 0.00 C ATOM 986 CD1 ILE A 68 0.661 7.627 2.134 1.00 0.00 C ATOM 0 H ILE A 68 -2.031 6.129 4.430 1.00 0.00 H new ATOM 0 HA ILE A 68 -0.704 8.018 6.229 1.00 0.00 H new ATOM 0 HB ILE A 68 -1.546 8.542 3.365 1.00 0.00 H new ATOM 0 HG12 ILE A 68 1.102 7.318 4.197 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.239 6.364 3.597 1.00 0.00 H new ATOM 0 HG21 ILE A 68 0.393 10.062 3.416 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -0.780 10.450 4.697 1.00 0.00 H new ATOM 0 HG23 ILE A 68 0.720 9.582 5.099 1.00 0.00 H new ATOM 0 HD11 ILE A 68 1.357 6.853 1.810 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -0.210 7.630 1.479 1.00 0.00 H new ATOM 0 HD13 ILE A 68 1.153 8.599 2.088 1.00 0.00 H new ATOM 998 N ALA A 69 -3.812 8.124 5.268 1.00 0.00 N ATOM 999 CA ALA A 69 -5.096 8.783 5.471 1.00 0.00 C ATOM 1000 C ALA A 69 -5.522 8.716 6.934 1.00 0.00 C ATOM 1001 O ALA A 69 -5.584 9.736 7.621 1.00 0.00 O ATOM 1002 CB ALA A 69 -6.158 8.155 4.581 1.00 0.00 C ATOM 0 H ALA A 69 -3.871 7.224 4.792 1.00 0.00 H new ATOM 0 HA ALA A 69 -4.985 9.833 5.200 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -7.112 8.657 4.743 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -5.866 8.260 3.536 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -6.258 7.097 4.825 1.00 0.00 H new ATOM 1008 N THR A 70 -5.816 7.508 7.405 1.00 0.00 N ATOM 1009 CA THR A 70 -6.238 7.308 8.786 1.00 0.00 C ATOM 1010 C THR A 70 -5.046 7.345 9.736 1.00 0.00 C ATOM 1011 O THR A 70 -5.102 7.970 10.794 1.00 0.00 O ATOM 1012 CB THR A 70 -6.976 5.968 8.959 1.00 0.00 C ATOM 1013 OG1 THR A 70 -6.121 4.884 8.578 1.00 0.00 O ATOM 1014 CG2 THR A 70 -8.246 5.937 8.122 1.00 0.00 C ATOM 0 H THR A 70 -5.770 6.653 6.850 1.00 0.00 H new ATOM 0 HA THR A 70 -6.919 8.124 9.030 1.00 0.00 H new ATOM 0 HB THR A 70 -7.249 5.863 10.009 1.00 0.00 H new ATOM 0 HG1 THR A 70 -6.664 4.092 8.384 1.00 0.00 H new ATOM 0 HG21 THR A 70 -8.750 4.981 8.261 1.00 0.00 H new ATOM 0 HG22 THR A 70 -8.908 6.745 8.435 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.991 6.064 7.070 1.00 0.00 H new ATOM 1022 N GLY A 71 -3.966 6.671 9.350 1.00 0.00 N ATOM 1023 CA GLY A 71 -2.776 6.641 10.179 1.00 0.00 C ATOM 1024 C GLY A 71 -2.627 5.334 10.932 1.00 0.00 C ATOM 1025 O GLY A 71 -2.087 5.303 12.038 1.00 0.00 O ATOM 0 H GLY A 71 -3.895 6.146 8.478 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -1.897 6.799 9.554 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -2.812 7.465 10.891 1.00 0.00 H new ATOM 1029 N LYS A 72 -3.107 4.250 10.332 1.00 0.00 N ATOM 1030 CA LYS A 72 -3.026 2.932 10.952 1.00 0.00 C ATOM 1031 C LYS A 72 -1.770 2.194 10.498 1.00 0.00 C ATOM 1032 O LYS A 72 -1.017 2.689 9.660 1.00 0.00 O ATOM 1033 CB LYS A 72 -4.268 2.107 10.610 1.00 0.00 C ATOM 1034 CG LYS A 72 -5.567 2.742 11.073 1.00 0.00 C ATOM 1035 CD LYS A 72 -6.683 1.716 11.180 1.00 0.00 C ATOM 1036 CE LYS A 72 -8.040 2.336 10.888 1.00 0.00 C ATOM 1037 NZ LYS A 72 -8.628 2.979 12.095 1.00 0.00 N ATOM 0 H LYS A 72 -3.557 4.258 9.416 1.00 0.00 H new ATOM 0 HA LYS A 72 -2.975 3.068 12.032 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -4.310 1.960 9.531 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -4.174 1.120 11.063 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -5.415 3.218 12.042 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -5.859 3.526 10.375 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -6.497 0.900 10.482 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -6.687 1.284 12.181 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -7.937 3.077 10.095 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -8.719 1.567 10.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -9.553 3.390 11.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -8.750 2.267 12.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -7.993 3.730 12.432 1.00 0.00 H new ATOM 1051 N SER A 73 -1.553 1.007 11.057 1.00 0.00 N ATOM 1052 CA SER A 73 -0.388 0.202 10.710 1.00 0.00 C ATOM 1053 C SER A 73 -0.663 -1.280 10.943 1.00 0.00 C ATOM 1054 O SER A 73 -1.331 -1.655 11.906 1.00 0.00 O ATOM 1055 CB SER A 73 0.825 0.642 11.532 1.00 0.00 C ATOM 1056 OG SER A 73 0.541 0.606 12.920 1.00 0.00 O ATOM 0 H SER A 73 -2.168 0.582 11.751 1.00 0.00 H new ATOM 0 HA SER A 73 -0.175 0.352 9.652 1.00 0.00 H new ATOM 0 HB2 SER A 73 1.672 -0.009 11.314 1.00 0.00 H new ATOM 0 HB3 SER A 73 1.117 1.652 11.243 1.00 0.00 H new ATOM 0 HG SER A 73 1.333 0.890 13.423 1.00 0.00 H new ATOM 1062 N GLY A 74 -0.143 -2.120 10.053 1.00 0.00 N ATOM 1063 CA GLY A 74 -0.343 -3.552 10.178 1.00 0.00 C ATOM 1064 C GLY A 74 0.268 -4.325 9.027 1.00 0.00 C ATOM 1065 O GLY A 74 1.394 -4.049 8.612 1.00 0.00 O ATOM 0 H GLY A 74 0.413 -1.834 9.247 1.00 0.00 H new ATOM 0 HA2 GLY A 74 0.094 -3.896 11.115 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -1.411 -3.764 10.227 1.00 0.00 H new ATOM 1069 N TYR A 75 -0.474 -5.299 8.511 1.00 0.00 N ATOM 1070 CA TYR A 75 0.004 -6.118 7.403 1.00 0.00 C ATOM 1071 C TYR A 75 -1.061 -6.240 6.317 1.00 0.00 C ATOM 1072 O TYR A 75 -2.183 -6.676 6.579 1.00 0.00 O ATOM 1073 CB TYR A 75 0.400 -7.508 7.903 1.00 0.00 C ATOM 1074 CG TYR A 75 1.363 -7.481 9.068 1.00 0.00 C ATOM 1075 CD1 TYR A 75 2.442 -6.605 9.082 1.00 0.00 C ATOM 1076 CD2 TYR A 75 1.196 -8.331 10.154 1.00 0.00 C ATOM 1077 CE1 TYR A 75 3.325 -6.577 10.144 1.00 0.00 C ATOM 1078 CE2 TYR A 75 2.073 -8.309 11.221 1.00 0.00 C ATOM 1079 CZ TYR A 75 3.137 -7.430 11.211 1.00 0.00 C ATOM 1080 OH TYR A 75 4.014 -7.406 12.271 1.00 0.00 O ATOM 0 H TYR A 75 -1.408 -5.540 8.842 1.00 0.00 H new ATOM 0 HA TYR A 75 0.880 -5.630 6.975 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -0.499 -8.048 8.198 1.00 0.00 H new ATOM 0 HB3 TYR A 75 0.852 -8.065 7.082 1.00 0.00 H new ATOM 0 HD1 TYR A 75 2.593 -5.935 8.249 1.00 0.00 H new ATOM 0 HD2 TYR A 75 0.366 -9.021 10.164 1.00 0.00 H new ATOM 0 HE1 TYR A 75 4.159 -5.890 10.139 1.00 0.00 H new ATOM 0 HE2 TYR A 75 1.927 -8.976 12.058 1.00 0.00 H new ATOM 0 HH TYR A 75 3.738 -8.068 12.939 1.00 0.00 H new ATOM 1090 N ILE A 76 -0.701 -5.853 5.098 1.00 0.00 N ATOM 1091 CA ILE A 76 -1.624 -5.920 3.972 1.00 0.00 C ATOM 1092 C ILE A 76 -1.103 -6.861 2.891 1.00 0.00 C ATOM 1093 O ILE A 76 0.087 -6.891 2.579 1.00 0.00 O ATOM 1094 CB ILE A 76 -1.862 -4.529 3.355 1.00 0.00 C ATOM 1095 CG1 ILE A 76 -0.550 -3.955 2.816 1.00 0.00 C ATOM 1096 CG2 ILE A 76 -2.474 -3.591 4.385 1.00 0.00 C ATOM 1097 CD1 ILE A 76 -0.710 -2.609 2.144 1.00 0.00 C ATOM 0 H ILE A 76 0.223 -5.490 4.865 1.00 0.00 H new ATOM 0 HA ILE A 76 -2.568 -6.302 4.360 1.00 0.00 H new ATOM 0 HB ILE A 76 -2.560 -4.630 2.524 1.00 0.00 H new ATOM 0 HG12 ILE A 76 0.160 -3.860 3.637 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -0.120 -4.659 2.103 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -2.636 -2.612 3.934 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -3.427 -3.996 4.725 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -1.798 -3.492 5.234 1.00 0.00 H new ATOM 0 HD11 ILE A 76 0.260 -2.263 1.786 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -1.395 -2.702 1.301 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.110 -1.890 2.859 1.00 0.00 H new ATOM 1109 N PRO A 77 -2.016 -7.648 2.302 1.00 0.00 N ATOM 1110 CA PRO A 77 -1.673 -8.604 1.244 1.00 0.00 C ATOM 1111 C PRO A 77 -1.286 -7.912 -0.058 1.00 0.00 C ATOM 1112 O PRO A 77 -2.082 -7.175 -0.641 1.00 0.00 O ATOM 1113 CB PRO A 77 -2.963 -9.407 1.061 1.00 0.00 C ATOM 1114 CG PRO A 77 -4.047 -8.493 1.517 1.00 0.00 C ATOM 1115 CD PRO A 77 -3.453 -7.666 2.624 1.00 0.00 C ATOM 0 HA PRO A 77 -0.809 -9.214 1.509 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.103 -9.699 0.020 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -2.945 -10.324 1.650 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -4.393 -7.860 0.700 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -4.910 -9.057 1.871 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -3.873 -6.660 2.644 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -3.640 -8.109 3.602 1.00 0.00 H new ATOM 1123 N SER A 78 -0.060 -8.155 -0.511 1.00 0.00 N ATOM 1124 CA SER A 78 0.433 -7.552 -1.744 1.00 0.00 C ATOM 1125 C SER A 78 -0.369 -8.040 -2.946 1.00 0.00 C ATOM 1126 O SER A 78 -0.210 -7.538 -4.057 1.00 0.00 O ATOM 1127 CB SER A 78 1.915 -7.878 -1.938 1.00 0.00 C ATOM 1128 OG SER A 78 2.096 -9.241 -2.283 1.00 0.00 O ATOM 0 H SER A 78 0.610 -8.765 -0.043 1.00 0.00 H new ATOM 0 HA SER A 78 0.313 -6.472 -1.665 1.00 0.00 H new ATOM 0 HB2 SER A 78 2.331 -7.243 -2.720 1.00 0.00 H new ATOM 0 HB3 SER A 78 2.463 -7.655 -1.022 1.00 0.00 H new ATOM 0 HG SER A 78 2.489 -9.721 -1.524 1.00 0.00 H new ATOM 1134 N ASN A 79 -1.232 -9.024 -2.713 1.00 0.00 N ATOM 1135 CA ASN A 79 -2.060 -9.583 -3.777 1.00 0.00 C ATOM 1136 C ASN A 79 -3.309 -8.734 -3.996 1.00 0.00 C ATOM 1137 O ASN A 79 -4.061 -8.952 -4.946 1.00 0.00 O ATOM 1138 CB ASN A 79 -2.459 -11.020 -3.439 1.00 0.00 C ATOM 1139 CG ASN A 79 -1.445 -12.033 -3.934 1.00 0.00 C ATOM 1140 OD1 ASN A 79 -1.442 -12.403 -5.108 1.00 0.00 O ATOM 1141 ND2 ASN A 79 -0.577 -12.488 -3.037 1.00 0.00 N ATOM 0 H ASN A 79 -1.376 -9.451 -1.798 1.00 0.00 H new ATOM 0 HA ASN A 79 -1.476 -9.583 -4.697 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -2.570 -11.119 -2.359 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -3.431 -11.238 -3.881 1.00 0.00 H new ATOM 0 HD21 ASN A 79 0.128 -13.172 -3.311 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -0.616 -12.154 -2.074 1.00 0.00 H new ATOM 1148 N TYR A 80 -3.522 -7.766 -3.112 1.00 0.00 N ATOM 1149 CA TYR A 80 -4.680 -6.885 -3.208 1.00 0.00 C ATOM 1150 C TYR A 80 -4.252 -5.452 -3.510 1.00 0.00 C ATOM 1151 O TYR A 80 -4.949 -4.718 -4.210 1.00 0.00 O ATOM 1152 CB TYR A 80 -5.486 -6.925 -1.908 1.00 0.00 C ATOM 1153 CG TYR A 80 -6.562 -7.987 -1.895 1.00 0.00 C ATOM 1154 CD1 TYR A 80 -6.329 -9.246 -2.436 1.00 0.00 C ATOM 1155 CD2 TYR A 80 -7.810 -7.733 -1.341 1.00 0.00 C ATOM 1156 CE1 TYR A 80 -7.310 -10.219 -2.427 1.00 0.00 C ATOM 1157 CE2 TYR A 80 -8.796 -8.701 -1.326 1.00 0.00 C ATOM 1158 CZ TYR A 80 -8.541 -9.942 -1.871 1.00 0.00 C ATOM 1159 OH TYR A 80 -9.520 -10.909 -1.859 1.00 0.00 O ATOM 0 H TYR A 80 -2.908 -7.571 -2.321 1.00 0.00 H new ATOM 0 HA TYR A 80 -5.306 -7.238 -4.028 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -4.806 -7.098 -1.074 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -5.947 -5.951 -1.746 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -5.365 -9.467 -2.871 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -8.013 -6.762 -0.914 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -7.114 -11.192 -2.853 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -9.761 -8.487 -0.890 1.00 0.00 H new ATOM 0 HH TYR A 80 -10.326 -10.553 -1.430 1.00 0.00 H new ATOM 1169 N VAL A 81 -3.098 -5.062 -2.977 1.00 0.00 N ATOM 1170 CA VAL A 81 -2.574 -3.718 -3.190 1.00 0.00 C ATOM 1171 C VAL A 81 -1.456 -3.722 -4.226 1.00 0.00 C ATOM 1172 O VAL A 81 -0.608 -4.615 -4.237 1.00 0.00 O ATOM 1173 CB VAL A 81 -2.042 -3.109 -1.879 1.00 0.00 C ATOM 1174 CG1 VAL A 81 -3.150 -3.028 -0.839 1.00 0.00 C ATOM 1175 CG2 VAL A 81 -0.866 -3.918 -1.355 1.00 0.00 C ATOM 0 H VAL A 81 -2.509 -5.657 -2.395 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.401 -3.110 -3.555 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.694 -2.096 -2.084 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -2.755 -2.595 0.080 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.958 -2.402 -1.217 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.531 -4.029 -0.635 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.503 -3.474 -0.428 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -1.185 -4.943 -1.165 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -0.066 -3.918 -2.095 1.00 0.00 H new ATOM 1185 N VAL A 82 -1.459 -2.717 -5.096 1.00 0.00 N ATOM 1186 CA VAL A 82 -0.443 -2.604 -6.136 1.00 0.00 C ATOM 1187 C VAL A 82 0.203 -1.223 -6.124 1.00 0.00 C ATOM 1188 O VAL A 82 -0.399 -0.232 -5.711 1.00 0.00 O ATOM 1189 CB VAL A 82 -1.038 -2.868 -7.532 1.00 0.00 C ATOM 1190 CG1 VAL A 82 -2.071 -3.983 -7.470 1.00 0.00 C ATOM 1191 CG2 VAL A 82 -1.647 -1.596 -8.101 1.00 0.00 C ATOM 0 H VAL A 82 -2.153 -1.970 -5.101 1.00 0.00 H new ATOM 0 HA VAL A 82 0.314 -3.359 -5.923 1.00 0.00 H new ATOM 0 HB VAL A 82 -0.234 -3.187 -8.196 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.480 -4.155 -8.465 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.599 -4.897 -7.108 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.875 -3.697 -6.792 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.063 -1.801 -9.088 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -2.439 -1.244 -7.440 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -0.877 -0.829 -8.184 1.00 0.00 H new ATOM 1201 N PRO A 83 1.459 -1.154 -6.589 1.00 0.00 N ATOM 1202 CA PRO A 83 2.215 0.101 -6.644 1.00 0.00 C ATOM 1203 C PRO A 83 1.670 1.061 -7.695 1.00 0.00 C ATOM 1204 O PRO A 83 1.424 0.673 -8.837 1.00 0.00 O ATOM 1205 CB PRO A 83 3.629 -0.353 -7.016 1.00 0.00 C ATOM 1206 CG PRO A 83 3.436 -1.644 -7.733 1.00 0.00 C ATOM 1207 CD PRO A 83 2.239 -2.295 -7.097 1.00 0.00 C ATOM 0 HA PRO A 83 2.162 0.650 -5.704 1.00 0.00 H new ATOM 0 HB2 PRO A 83 4.127 0.381 -7.650 1.00 0.00 H new ATOM 0 HB3 PRO A 83 4.250 -0.482 -6.129 1.00 0.00 H new ATOM 0 HG2 PRO A 83 3.271 -1.478 -8.798 1.00 0.00 H new ATOM 0 HG3 PRO A 83 4.319 -2.277 -7.642 1.00 0.00 H new ATOM 0 HD2 PRO A 83 1.670 -2.881 -7.818 1.00 0.00 H new ATOM 0 HD3 PRO A 83 2.529 -2.972 -6.294 1.00 0.00 H new ATOM 1215 N ALA A 84 1.482 2.317 -7.302 1.00 0.00 N ATOM 1216 CA ALA A 84 0.967 3.333 -8.212 1.00 0.00 C ATOM 1217 C ALA A 84 1.900 3.526 -9.403 1.00 0.00 C ATOM 1218 O ALA A 84 1.573 4.243 -10.349 1.00 0.00 O ATOM 1219 CB ALA A 84 0.770 4.650 -7.475 1.00 0.00 C ATOM 0 H ALA A 84 1.679 2.655 -6.360 1.00 0.00 H new ATOM 0 HA ALA A 84 0.003 2.993 -8.590 1.00 0.00 H new ATOM 0 HB1 ALA A 84 0.385 5.400 -8.166 1.00 0.00 H new ATOM 0 HB2 ALA A 84 0.059 4.508 -6.661 1.00 0.00 H new ATOM 0 HB3 ALA A 84 1.724 4.986 -7.069 1.00 0.00 H new ATOM 1225 N ASP A 85 3.061 2.883 -9.350 1.00 0.00 N ATOM 1226 CA ASP A 85 4.041 2.984 -10.425 1.00 0.00 C ATOM 1227 C ASP A 85 3.890 1.827 -11.408 1.00 0.00 C ATOM 1228 O ASP A 85 3.986 2.013 -12.621 1.00 0.00 O ATOM 1229 CB ASP A 85 5.459 3.001 -9.852 1.00 0.00 C ATOM 1230 CG ASP A 85 5.678 4.147 -8.884 1.00 0.00 C ATOM 1231 OD1 ASP A 85 5.238 5.275 -9.190 1.00 0.00 O ATOM 1232 OD2 ASP A 85 6.290 3.915 -7.821 1.00 0.00 O ATOM 0 H ASP A 85 3.347 2.286 -8.574 1.00 0.00 H new ATOM 0 HA ASP A 85 3.863 3.917 -10.959 1.00 0.00 H new ATOM 0 HB2 ASP A 85 5.653 2.057 -9.343 1.00 0.00 H new ATOM 0 HB3 ASP A 85 6.177 3.077 -10.669 1.00 0.00 H new ATOM 1237 N SER A 86 3.653 0.632 -10.876 1.00 0.00 N ATOM 1238 CA SER A 86 3.494 -0.556 -11.706 1.00 0.00 C ATOM 1239 C SER A 86 2.056 -1.064 -11.658 1.00 0.00 C ATOM 1240 O SER A 86 1.804 -2.261 -11.795 1.00 0.00 O ATOM 1241 CB SER A 86 4.451 -1.658 -11.246 1.00 0.00 C ATOM 1242 OG SER A 86 5.682 -1.588 -11.944 1.00 0.00 O ATOM 0 H SER A 86 3.567 0.461 -9.874 1.00 0.00 H new ATOM 0 HA SER A 86 3.731 -0.284 -12.735 1.00 0.00 H new ATOM 0 HB2 SER A 86 4.631 -1.564 -10.175 1.00 0.00 H new ATOM 0 HB3 SER A 86 3.992 -2.633 -11.408 1.00 0.00 H new ATOM 0 HG SER A 86 6.277 -2.301 -11.631 1.00 0.00 H new ATOM 1248 N ILE A 87 1.117 -0.144 -11.462 1.00 0.00 N ATOM 1249 CA ILE A 87 -0.296 -0.497 -11.397 1.00 0.00 C ATOM 1250 C ILE A 87 -0.650 -1.544 -12.448 1.00 0.00 C ATOM 1251 O ILE A 87 -0.779 -1.230 -13.631 1.00 0.00 O ATOM 1252 CB ILE A 87 -1.195 0.738 -11.595 1.00 0.00 C ATOM 1253 CG1 ILE A 87 -0.516 1.986 -11.027 1.00 0.00 C ATOM 1254 CG2 ILE A 87 -2.549 0.518 -10.938 1.00 0.00 C ATOM 1255 CD1 ILE A 87 -1.477 3.121 -10.747 1.00 0.00 C ATOM 0 H ILE A 87 1.309 0.851 -11.346 1.00 0.00 H new ATOM 0 HA ILE A 87 -0.473 -0.909 -10.403 1.00 0.00 H new ATOM 0 HB ILE A 87 -1.352 0.888 -12.663 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -0.000 1.721 -10.104 1.00 0.00 H new ATOM 0 HG13 ILE A 87 0.244 2.328 -11.730 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -3.173 1.399 -11.086 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -3.034 -0.350 -11.386 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -2.412 0.346 -9.870 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -0.927 3.973 -10.346 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -1.975 3.413 -11.672 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -2.222 2.796 -10.021 1.00 0.00 H new ATOM 1267 N GLN A 88 -0.808 -2.788 -12.006 1.00 0.00 N ATOM 1268 CA GLN A 88 -1.148 -3.881 -12.909 1.00 0.00 C ATOM 1269 C GLN A 88 -2.628 -3.841 -13.278 1.00 0.00 C ATOM 1270 O GLN A 88 -3.043 -4.422 -14.280 1.00 0.00 O ATOM 1271 CB GLN A 88 -0.807 -5.226 -12.267 1.00 0.00 C ATOM 1272 CG GLN A 88 -1.510 -5.463 -10.940 1.00 0.00 C ATOM 1273 CD GLN A 88 -0.952 -6.656 -10.189 1.00 0.00 C ATOM 1274 OE1 GLN A 88 -1.619 -7.681 -10.046 1.00 0.00 O ATOM 1275 NE2 GLN A 88 0.277 -6.529 -9.704 1.00 0.00 N ATOM 0 H GLN A 88 -0.706 -3.063 -11.029 1.00 0.00 H new ATOM 0 HA GLN A 88 -0.561 -3.762 -13.820 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -1.073 -6.026 -12.957 1.00 0.00 H new ATOM 0 HB3 GLN A 88 0.271 -5.283 -12.113 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -1.417 -4.572 -10.319 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -2.574 -5.617 -11.119 1.00 0.00 H new ATOM 0 HE21 GLN A 88 0.794 -5.661 -9.846 1.00 0.00 H new ATOM 0 HE22 GLN A 88 0.704 -7.299 -9.189 1.00 0.00 H new ATOM 1284 N ALA A 89 -3.418 -3.152 -12.461 1.00 0.00 N ATOM 1285 CA ALA A 89 -4.851 -3.036 -12.702 1.00 0.00 C ATOM 1286 C ALA A 89 -5.261 -1.577 -12.877 1.00 0.00 C ATOM 1287 O ALA A 89 -6.406 -1.211 -12.617 1.00 0.00 O ATOM 1288 CB ALA A 89 -5.632 -3.672 -11.562 1.00 0.00 C ATOM 0 H ALA A 89 -3.090 -2.666 -11.627 1.00 0.00 H new ATOM 0 HA ALA A 89 -5.083 -3.566 -13.626 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -6.700 -3.578 -11.756 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -5.369 -4.727 -11.485 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -5.387 -3.168 -10.627 1.00 0.00 H new ATOM 1294 N GLU A 90 -4.318 -0.751 -13.318 1.00 0.00 N ATOM 1295 CA GLU A 90 -4.583 0.668 -13.526 1.00 0.00 C ATOM 1296 C GLU A 90 -6.007 0.888 -14.028 1.00 0.00 C ATOM 1297 O GLU A 90 -6.622 1.917 -13.750 1.00 0.00 O ATOM 1298 CB GLU A 90 -3.582 1.256 -14.523 1.00 0.00 C ATOM 1299 CG GLU A 90 -3.239 0.316 -15.667 1.00 0.00 C ATOM 1300 CD GLU A 90 -1.830 0.521 -16.187 1.00 0.00 C ATOM 1301 OE1 GLU A 90 -0.910 0.684 -15.359 1.00 0.00 O ATOM 1302 OE2 GLU A 90 -1.647 0.518 -17.423 1.00 0.00 O ATOM 0 H GLU A 90 -3.365 -1.039 -13.538 1.00 0.00 H new ATOM 0 HA GLU A 90 -4.472 1.176 -12.568 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -3.990 2.180 -14.933 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -2.666 1.519 -13.993 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -3.352 -0.715 -15.332 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -3.948 0.466 -16.481 1.00 0.00 H new ATOM 1309 N GLU A 91 -6.524 -0.087 -14.770 1.00 0.00 N ATOM 1310 CA GLU A 91 -7.874 0.001 -15.312 1.00 0.00 C ATOM 1311 C GLU A 91 -8.819 0.666 -14.315 1.00 0.00 C ATOM 1312 O GLU A 91 -9.758 1.362 -14.703 1.00 0.00 O ATOM 1313 CB GLU A 91 -8.395 -1.392 -15.673 1.00 0.00 C ATOM 1314 CG GLU A 91 -7.690 -2.015 -16.866 1.00 0.00 C ATOM 1315 CD GLU A 91 -8.317 -3.328 -17.294 1.00 0.00 C ATOM 1316 OE1 GLU A 91 -8.372 -4.257 -16.461 1.00 0.00 O ATOM 1317 OE2 GLU A 91 -8.752 -3.426 -18.460 1.00 0.00 O ATOM 0 H GLU A 91 -6.028 -0.946 -15.009 1.00 0.00 H new ATOM 0 HA GLU A 91 -7.836 0.612 -16.214 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -8.280 -2.048 -14.810 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -9.462 -1.328 -15.885 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -7.713 -1.316 -17.702 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -6.642 -2.181 -16.618 1.00 0.00 H new ATOM 1324 N TRP A 92 -8.563 0.447 -13.031 1.00 0.00 N ATOM 1325 CA TRP A 92 -9.390 1.025 -11.977 1.00 0.00 C ATOM 1326 C TRP A 92 -9.326 2.547 -12.008 1.00 0.00 C ATOM 1327 O TRP A 92 -10.352 3.223 -11.930 1.00 0.00 O ATOM 1328 CB TRP A 92 -8.941 0.510 -10.608 1.00 0.00 C ATOM 1329 CG TRP A 92 -7.574 0.983 -10.215 1.00 0.00 C ATOM 1330 CD1 TRP A 92 -6.422 0.249 -10.215 1.00 0.00 C ATOM 1331 CD2 TRP A 92 -7.218 2.293 -9.763 1.00 0.00 C ATOM 1332 NE1 TRP A 92 -5.371 1.025 -9.790 1.00 0.00 N ATOM 1333 CE2 TRP A 92 -5.833 2.284 -9.507 1.00 0.00 C ATOM 1334 CE3 TRP A 92 -7.933 3.475 -9.551 1.00 0.00 C ATOM 1335 CZ2 TRP A 92 -5.152 3.409 -9.050 1.00 0.00 C ATOM 1336 CZ3 TRP A 92 -7.257 4.591 -9.096 1.00 0.00 C ATOM 1337 CH2 TRP A 92 -5.878 4.552 -8.851 1.00 0.00 C ATOM 0 H TRP A 92 -7.790 -0.126 -12.694 1.00 0.00 H new ATOM 0 HA TRP A 92 -10.422 0.721 -12.151 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -9.659 0.831 -9.854 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -8.952 -0.580 -10.616 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -6.348 -0.788 -10.506 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -4.404 0.715 -9.700 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -8.996 3.515 -9.740 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -4.089 3.381 -8.859 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -7.801 5.509 -8.926 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -5.378 5.442 -8.498 1.00 0.00 H new ATOM 1348 N TYR A 93 -8.115 3.082 -12.122 1.00 0.00 N ATOM 1349 CA TYR A 93 -7.918 4.526 -12.161 1.00 0.00 C ATOM 1350 C TYR A 93 -8.213 5.079 -13.551 1.00 0.00 C ATOM 1351 O TYR A 93 -8.664 6.216 -13.697 1.00 0.00 O ATOM 1352 CB TYR A 93 -6.486 4.877 -11.754 1.00 0.00 C ATOM 1353 CG TYR A 93 -5.541 5.019 -12.925 1.00 0.00 C ATOM 1354 CD1 TYR A 93 -5.719 6.022 -13.870 1.00 0.00 C ATOM 1355 CD2 TYR A 93 -4.469 4.149 -13.088 1.00 0.00 C ATOM 1356 CE1 TYR A 93 -4.858 6.155 -14.942 1.00 0.00 C ATOM 1357 CE2 TYR A 93 -3.602 4.275 -14.156 1.00 0.00 C ATOM 1358 CZ TYR A 93 -3.801 5.279 -15.081 1.00 0.00 C ATOM 1359 OH TYR A 93 -2.941 5.408 -16.147 1.00 0.00 O ATOM 0 H TYR A 93 -7.255 2.537 -12.189 1.00 0.00 H new ATOM 0 HA TYR A 93 -8.612 4.981 -11.454 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -6.496 5.810 -11.191 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -6.108 4.104 -11.084 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -6.545 6.710 -13.765 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -4.311 3.361 -12.367 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -5.011 6.940 -15.667 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -2.773 3.591 -14.266 1.00 0.00 H new ATOM 0 HH TYR A 93 -3.372 5.066 -16.958 1.00 0.00 H new ATOM 1369 N PHE A 94 -7.957 4.266 -14.571 1.00 0.00 N ATOM 1370 CA PHE A 94 -8.195 4.673 -15.951 1.00 0.00 C ATOM 1371 C PHE A 94 -9.671 4.982 -16.180 1.00 0.00 C ATOM 1372 O PHE A 94 -10.020 6.023 -16.735 1.00 0.00 O ATOM 1373 CB PHE A 94 -7.736 3.576 -16.914 1.00 0.00 C ATOM 1374 CG PHE A 94 -6.311 3.729 -17.362 1.00 0.00 C ATOM 1375 CD1 PHE A 94 -5.960 4.708 -18.277 1.00 0.00 C ATOM 1376 CD2 PHE A 94 -5.322 2.893 -16.869 1.00 0.00 C ATOM 1377 CE1 PHE A 94 -4.649 4.852 -18.691 1.00 0.00 C ATOM 1378 CE2 PHE A 94 -4.010 3.033 -17.279 1.00 0.00 C ATOM 1379 CZ PHE A 94 -3.673 4.013 -18.192 1.00 0.00 C ATOM 0 H PHE A 94 -7.585 3.322 -14.468 1.00 0.00 H new ATOM 0 HA PHE A 94 -7.619 5.579 -16.141 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -7.854 2.606 -16.430 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -8.386 3.577 -17.789 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -6.720 5.367 -18.672 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -5.580 2.123 -16.156 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -4.389 5.620 -19.404 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -3.248 2.376 -16.886 1.00 0.00 H new ATOM 0 HZ PHE A 94 -2.648 4.123 -18.515 1.00 0.00 H new ATOM 1389 N GLY A 95 -10.535 4.068 -15.749 1.00 0.00 N ATOM 1390 CA GLY A 95 -11.964 4.260 -15.916 1.00 0.00 C ATOM 1391 C GLY A 95 -12.569 5.104 -14.812 1.00 0.00 C ATOM 1392 O GLY A 95 -13.329 6.036 -15.077 1.00 0.00 O ATOM 0 H GLY A 95 -10.271 3.198 -15.287 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -12.153 4.736 -16.878 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -12.458 3.288 -15.938 1.00 0.00 H new ATOM 1396 N LYS A 96 -12.234 4.777 -13.569 1.00 0.00 N ATOM 1397 CA LYS A 96 -12.749 5.511 -12.419 1.00 0.00 C ATOM 1398 C LYS A 96 -11.721 6.518 -11.911 1.00 0.00 C ATOM 1399 O LYS A 96 -10.522 6.242 -11.899 1.00 0.00 O ATOM 1400 CB LYS A 96 -13.126 4.541 -11.296 1.00 0.00 C ATOM 1401 CG LYS A 96 -13.488 5.231 -9.993 1.00 0.00 C ATOM 1402 CD LYS A 96 -14.896 5.801 -10.036 1.00 0.00 C ATOM 1403 CE LYS A 96 -15.215 6.593 -8.777 1.00 0.00 C ATOM 1404 NZ LYS A 96 -15.640 5.708 -7.657 1.00 0.00 N ATOM 0 H LYS A 96 -11.608 4.008 -13.332 1.00 0.00 H new ATOM 0 HA LYS A 96 -13.639 6.055 -12.736 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -13.969 3.932 -11.621 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -12.292 3.862 -11.118 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -13.407 4.521 -9.170 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -12.776 6.032 -9.795 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -15.003 6.445 -10.909 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -15.615 4.990 -10.149 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -14.337 7.164 -8.475 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -16.005 7.312 -8.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -15.848 6.286 -6.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -16.493 5.181 -7.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -14.876 5.038 -7.435 1.00 0.00 H new ATOM 1418 N MET A 97 -12.200 7.684 -11.492 1.00 0.00 N ATOM 1419 CA MET A 97 -11.322 8.731 -10.981 1.00 0.00 C ATOM 1420 C MET A 97 -10.166 8.131 -10.187 1.00 0.00 C ATOM 1421 O MET A 97 -10.316 7.097 -9.538 1.00 0.00 O ATOM 1422 CB MET A 97 -12.111 9.702 -10.100 1.00 0.00 C ATOM 1423 CG MET A 97 -13.042 10.613 -10.882 1.00 0.00 C ATOM 1424 SD MET A 97 -13.495 12.097 -9.965 1.00 0.00 S ATOM 1425 CE MET A 97 -12.097 13.158 -10.324 1.00 0.00 C ATOM 0 H MET A 97 -13.190 7.928 -11.496 1.00 0.00 H new ATOM 0 HA MET A 97 -10.912 9.275 -11.832 1.00 0.00 H new ATOM 0 HB2 MET A 97 -12.696 9.132 -9.378 1.00 0.00 H new ATOM 0 HB3 MET A 97 -11.411 10.314 -9.531 1.00 0.00 H new ATOM 0 HG2 MET A 97 -12.561 10.901 -11.817 1.00 0.00 H new ATOM 0 HG3 MET A 97 -13.946 10.063 -11.145 1.00 0.00 H new ATOM 0 HE1 MET A 97 -12.231 14.118 -9.825 1.00 0.00 H new ATOM 0 HE2 MET A 97 -11.181 12.687 -9.966 1.00 0.00 H new ATOM 0 HE3 MET A 97 -12.027 13.316 -11.400 1.00 0.00 H new ATOM 1435 N GLY A 98 -9.011 8.787 -10.245 1.00 0.00 N ATOM 1436 CA GLY A 98 -7.846 8.303 -9.527 1.00 0.00 C ATOM 1437 C GLY A 98 -6.638 9.201 -9.710 1.00 0.00 C ATOM 1438 O GLY A 98 -5.868 9.415 -8.774 1.00 0.00 O ATOM 0 H GLY A 98 -8.861 9.645 -10.776 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -8.082 8.229 -8.465 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -7.603 7.298 -9.871 1.00 0.00 H new ATOM 1442 N ARG A 99 -6.471 9.726 -10.919 1.00 0.00 N ATOM 1443 CA ARG A 99 -5.346 10.603 -11.222 1.00 0.00 C ATOM 1444 C ARG A 99 -5.759 12.069 -11.126 1.00 0.00 C ATOM 1445 O ARG A 99 -6.918 12.383 -10.857 1.00 0.00 O ATOM 1446 CB ARG A 99 -4.803 10.306 -12.621 1.00 0.00 C ATOM 1447 CG ARG A 99 -3.930 9.063 -12.684 1.00 0.00 C ATOM 1448 CD ARG A 99 -2.469 9.394 -12.425 1.00 0.00 C ATOM 1449 NE ARG A 99 -1.682 8.201 -12.127 1.00 0.00 N ATOM 1450 CZ ARG A 99 -1.390 7.268 -13.027 1.00 0.00 C ATOM 1451 NH1 ARG A 99 -1.818 7.391 -14.276 1.00 0.00 N ATOM 1452 NH2 ARG A 99 -0.668 6.211 -12.679 1.00 0.00 N ATOM 0 H ARG A 99 -7.100 9.560 -11.705 1.00 0.00 H new ATOM 0 HA ARG A 99 -4.563 10.415 -10.488 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -5.640 10.187 -13.309 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -4.226 11.163 -12.967 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -4.276 8.337 -11.948 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -4.030 8.596 -13.664 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -2.051 9.895 -13.298 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -2.398 10.093 -11.591 1.00 0.00 H new ATOM 0 HE ARG A 99 -1.337 8.077 -11.175 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -2.372 8.203 -14.547 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -1.593 6.674 -14.965 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -0.336 6.114 -11.719 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -0.445 5.496 -13.371 1.00 0.00 H new ATOM 1466 N LYS A 100 -4.801 12.963 -11.348 1.00 0.00 N ATOM 1467 CA LYS A 100 -5.064 14.396 -11.288 1.00 0.00 C ATOM 1468 C LYS A 100 -3.857 15.191 -11.776 1.00 0.00 C ATOM 1469 O LYS A 100 -2.733 14.974 -11.321 1.00 0.00 O ATOM 1470 CB LYS A 100 -5.417 14.811 -9.858 1.00 0.00 C ATOM 1471 CG LYS A 100 -6.133 16.148 -9.771 1.00 0.00 C ATOM 1472 CD LYS A 100 -6.158 16.676 -8.347 1.00 0.00 C ATOM 1473 CE LYS A 100 -6.201 18.196 -8.317 1.00 0.00 C ATOM 1474 NZ LYS A 100 -7.589 18.715 -8.464 1.00 0.00 N ATOM 0 H LYS A 100 -3.836 12.720 -11.571 1.00 0.00 H new ATOM 0 HA LYS A 100 -5.909 14.613 -11.942 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -6.046 14.042 -9.410 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -4.503 14.859 -9.266 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -5.637 16.870 -10.419 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -7.154 16.040 -10.138 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -7.027 16.276 -7.825 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -5.275 16.325 -7.812 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -5.778 18.553 -7.378 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -5.578 18.593 -9.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -7.575 19.755 -8.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -7.985 18.396 -9.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -8.178 18.357 -7.685 1.00 0.00 H new ATOM 1488 N ASP A 101 -4.097 16.113 -12.702 1.00 0.00 N ATOM 1489 CA ASP A 101 -3.029 16.942 -13.250 1.00 0.00 C ATOM 1490 C ASP A 101 -3.436 18.412 -13.263 1.00 0.00 C ATOM 1491 O ASP A 101 -4.610 18.740 -13.433 1.00 0.00 O ATOM 1492 CB ASP A 101 -2.675 16.486 -14.666 1.00 0.00 C ATOM 1493 CG ASP A 101 -3.876 16.488 -15.592 1.00 0.00 C ATOM 1494 OD1 ASP A 101 -4.212 17.566 -16.124 1.00 0.00 O ATOM 1495 OD2 ASP A 101 -4.479 15.411 -15.784 1.00 0.00 O ATOM 0 H ASP A 101 -5.021 16.305 -13.089 1.00 0.00 H new ATOM 0 HA ASP A 101 -2.152 16.831 -12.612 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -1.905 17.141 -15.073 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -2.252 15.482 -14.626 1.00 0.00 H new ATOM 1500 N ALA A 102 -2.458 19.293 -13.080 1.00 0.00 N ATOM 1501 CA ALA A 102 -2.714 20.728 -13.072 1.00 0.00 C ATOM 1502 C ALA A 102 -2.288 21.369 -14.389 1.00 0.00 C ATOM 1503 O ALA A 102 -1.765 20.696 -15.276 1.00 0.00 O ATOM 1504 CB ALA A 102 -1.993 21.386 -11.905 1.00 0.00 C ATOM 0 H ALA A 102 -1.481 19.038 -12.935 1.00 0.00 H new ATOM 0 HA ALA A 102 -3.787 20.880 -12.954 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -2.193 22.457 -11.911 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -2.348 20.956 -10.969 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -0.920 21.217 -11.998 1.00 0.00 H new ATOM 1510 N GLU A 103 -2.516 22.674 -14.507 1.00 0.00 N ATOM 1511 CA GLU A 103 -2.157 23.404 -15.717 1.00 0.00 C ATOM 1512 C GLU A 103 -1.093 24.457 -15.421 1.00 0.00 C ATOM 1513 O GLU A 103 0.045 24.351 -15.879 1.00 0.00 O ATOM 1514 CB GLU A 103 -3.394 24.070 -16.324 1.00 0.00 C ATOM 1515 CG GLU A 103 -4.194 23.153 -17.235 1.00 0.00 C ATOM 1516 CD GLU A 103 -5.327 23.874 -17.939 1.00 0.00 C ATOM 1517 OE1 GLU A 103 -5.081 24.453 -19.018 1.00 0.00 O ATOM 1518 OE2 GLU A 103 -6.458 23.860 -17.412 1.00 0.00 O ATOM 0 H GLU A 103 -2.947 23.246 -13.781 1.00 0.00 H new ATOM 0 HA GLU A 103 -1.749 22.691 -16.433 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -4.039 24.421 -15.519 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -3.083 24.948 -16.889 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -3.529 22.716 -17.979 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -4.601 22.329 -16.648 1.00 0.00 H new ATOM 1525 N SER A 104 -1.472 25.474 -14.654 1.00 0.00 N ATOM 1526 CA SER A 104 -0.553 26.549 -14.300 1.00 0.00 C ATOM 1527 C SER A 104 -0.870 27.100 -12.913 1.00 0.00 C ATOM 1528 O SER A 104 -1.808 26.654 -12.254 1.00 0.00 O ATOM 1529 CB SER A 104 -0.626 27.672 -15.336 1.00 0.00 C ATOM 1530 OG SER A 104 0.435 28.595 -15.162 1.00 0.00 O ATOM 0 H SER A 104 -2.410 25.576 -14.266 1.00 0.00 H new ATOM 0 HA SER A 104 0.458 26.141 -14.287 1.00 0.00 H new ATOM 0 HB2 SER A 104 -0.583 27.249 -16.340 1.00 0.00 H new ATOM 0 HB3 SER A 104 -1.581 28.190 -15.249 1.00 0.00 H new ATOM 0 HG SER A 104 0.367 29.302 -15.837 1.00 0.00 H new ATOM 1536 N GLY A 105 -0.078 28.074 -12.474 1.00 0.00 N ATOM 1537 CA GLY A 105 -0.288 28.670 -11.168 1.00 0.00 C ATOM 1538 C GLY A 105 0.722 29.756 -10.857 1.00 0.00 C ATOM 1539 O GLY A 105 1.340 30.334 -11.752 1.00 0.00 O ATOM 0 H GLY A 105 0.706 28.461 -13.000 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -1.293 29.089 -11.121 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -0.229 27.894 -10.404 1.00 0.00 H new ATOM 1543 N PRO A 106 0.901 30.050 -9.561 1.00 0.00 N ATOM 1544 CA PRO A 106 1.842 31.077 -9.104 1.00 0.00 C ATOM 1545 C PRO A 106 3.295 30.665 -9.312 1.00 0.00 C ATOM 1546 O PRO A 106 3.666 29.518 -9.064 1.00 0.00 O ATOM 1547 CB PRO A 106 1.530 31.205 -7.611 1.00 0.00 C ATOM 1548 CG PRO A 106 0.948 29.887 -7.231 1.00 0.00 C ATOM 1549 CD PRO A 106 0.198 29.402 -8.441 1.00 0.00 C ATOM 0 HA PRO A 106 1.729 32.009 -9.658 1.00 0.00 H new ATOM 0 HB2 PRO A 106 2.430 31.421 -7.036 1.00 0.00 H new ATOM 0 HB3 PRO A 106 0.828 32.017 -7.421 1.00 0.00 H new ATOM 0 HG2 PRO A 106 1.730 29.182 -6.948 1.00 0.00 H new ATOM 0 HG3 PRO A 106 0.283 29.987 -6.373 1.00 0.00 H new ATOM 0 HD2 PRO A 106 0.227 28.315 -8.523 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -0.852 29.691 -8.405 1.00 0.00 H new ATOM 1557 N SER A 107 4.114 31.608 -9.767 1.00 0.00 N ATOM 1558 CA SER A 107 5.526 31.341 -10.011 1.00 0.00 C ATOM 1559 C SER A 107 6.311 32.644 -10.136 1.00 0.00 C ATOM 1560 O SER A 107 5.856 33.598 -10.767 1.00 0.00 O ATOM 1561 CB SER A 107 5.697 30.506 -11.282 1.00 0.00 C ATOM 1562 OG SER A 107 5.658 29.120 -10.990 1.00 0.00 O ATOM 0 H SER A 107 3.824 32.564 -9.974 1.00 0.00 H new ATOM 0 HA SER A 107 5.917 30.781 -9.161 1.00 0.00 H new ATOM 0 HB2 SER A 107 4.908 30.754 -11.992 1.00 0.00 H new ATOM 0 HB3 SER A 107 6.645 30.754 -11.759 1.00 0.00 H new ATOM 0 HG SER A 107 4.993 28.952 -10.290 1.00 0.00 H new ATOM 1568 N SER A 108 7.494 32.675 -9.529 1.00 0.00 N ATOM 1569 CA SER A 108 8.342 33.860 -9.568 1.00 0.00 C ATOM 1570 C SER A 108 9.691 33.543 -10.205 1.00 0.00 C ATOM 1571 O SER A 108 10.435 32.693 -9.718 1.00 0.00 O ATOM 1572 CB SER A 108 8.548 34.412 -8.156 1.00 0.00 C ATOM 1573 OG SER A 108 8.922 35.778 -8.192 1.00 0.00 O ATOM 0 H SER A 108 7.886 31.893 -9.005 1.00 0.00 H new ATOM 0 HA SER A 108 7.842 34.614 -10.176 1.00 0.00 H new ATOM 0 HB2 SER A 108 7.630 34.298 -7.580 1.00 0.00 H new ATOM 0 HB3 SER A 108 9.318 33.834 -7.645 1.00 0.00 H new ATOM 0 HG SER A 108 9.046 36.107 -7.277 1.00 0.00 H new ATOM 1579 N GLY A 109 9.999 34.233 -11.299 1.00 0.00 N ATOM 1580 CA GLY A 109 11.258 34.010 -11.986 1.00 0.00 C ATOM 1581 C GLY A 109 12.084 35.276 -12.107 1.00 0.00 C ATOM 1582 O GLY A 109 12.353 35.746 -13.212 1.00 0.00 O ATOM 0 H GLY A 109 9.400 34.942 -11.722 1.00 0.00 H new ATOM 0 HA2 GLY A 109 11.832 33.255 -11.450 1.00 0.00 H new ATOM 0 HA3 GLY A 109 11.060 33.612 -12.981 1.00 0.00 H new TER 1586 GLY A 109