USER MOD reduce.3.24.130724 H: found=0, std=0, add=676, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 674 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 69 GLN : amide:sc= 0.413 K(o=0.87,f=0.018) USER MOD Set 1.2: A 92 SER OG : rot 19:sc= 0.452 USER MOD Set 2.1: A 73 SER OG : rot 111:sc= 0.341 USER MOD Set 2.2: A 86 SER OG : rot -170:sc= 0.00884 USER MOD Set 3.1: A 80 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 81 HIS :FLIP no HD1:sc= -0.0483 F(o=-1.6,f=-0.048) USER MOD Single : A 1 GLY N :NH3+ 141:sc= 0.0278 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 26:sc= 0.391 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.0438 K(o=-0.044,f=-0.9) USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.79 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc=-0.00165 K(o=-0.0017,f=-0.6) USER MOD Single : A 39 SER OG : rot 52:sc= 0.38 USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 43 HIS : no HD1:sc= -0.21 X(o=-0.21,f=-0.25) USER MOD Single : A 45 MET CE :methyl -166:sc= -0.0253 (180deg=-0.335) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 1.05 (180deg=1.05) USER MOD Single : A 56 SER OG : rot -117:sc= 0.022 USER MOD Single : A 67 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.025 USER MOD Single : A 72 TYR OH : rot 5:sc= 0.0442 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 HIS :FLIP no HD1:sc= -1.97! C(o=-3.5!,f=-2!) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= -0.157 X(o=-0.16,f=-0.16) USER MOD Single : A 90 SER OG : rot 37:sc= 0.679 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.496 0.470 17.437 1.00 0.00 N ATOM 2 CA GLY A 1 0.367 1.377 17.529 1.00 0.00 C ATOM 3 C GLY A 1 0.514 2.581 16.620 1.00 0.00 C ATOM 4 O GLY A 1 1.627 3.037 16.358 1.00 0.00 O ATOM 0 H1 GLY A 1 1.724 0.103 18.383 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.255 -0.322 16.807 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.319 0.978 17.055 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.547 0.841 17.272 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.260 1.715 18.560 1.00 0.00 H new ATOM 8 N SER A 2 -0.611 3.097 16.136 1.00 0.00 N ATOM 9 CA SER A 2 -0.602 4.252 15.246 1.00 0.00 C ATOM 10 C SER A 2 -1.485 5.368 15.796 1.00 0.00 C ATOM 11 O SER A 2 -2.196 5.183 16.783 1.00 0.00 O ATOM 12 CB SER A 2 -1.079 3.850 13.849 1.00 0.00 C ATOM 13 OG SER A 2 -0.529 4.700 12.858 1.00 0.00 O ATOM 0 H SER A 2 -1.541 2.733 16.345 1.00 0.00 H new ATOM 0 HA SER A 2 0.421 4.621 15.180 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.793 2.818 13.647 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.167 3.893 13.806 1.00 0.00 H new ATOM 0 HG SER A 2 -0.848 4.421 11.974 1.00 0.00 H new ATOM 19 N SER A 3 -1.433 6.528 15.148 1.00 0.00 N ATOM 20 CA SER A 3 -2.224 7.677 15.573 1.00 0.00 C ATOM 21 C SER A 3 -3.706 7.450 15.291 1.00 0.00 C ATOM 22 O SER A 3 -4.102 7.201 14.153 1.00 0.00 O ATOM 23 CB SER A 3 -1.746 8.944 14.861 1.00 0.00 C ATOM 24 OG SER A 3 -2.406 10.092 15.365 1.00 0.00 O ATOM 0 H SER A 3 -0.852 6.697 14.327 1.00 0.00 H new ATOM 0 HA SER A 3 -2.091 7.801 16.648 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.669 9.053 14.991 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.931 8.855 13.790 1.00 0.00 H new ATOM 0 HG SER A 3 -2.082 10.888 14.895 1.00 0.00 H new ATOM 30 N GLY A 4 -4.522 7.537 16.338 1.00 0.00 N ATOM 31 CA GLY A 4 -5.951 7.339 16.183 1.00 0.00 C ATOM 32 C GLY A 4 -6.647 8.557 15.609 1.00 0.00 C ATOM 33 O GLY A 4 -6.569 9.648 16.173 1.00 0.00 O ATOM 0 H GLY A 4 -4.218 7.741 17.290 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -6.127 6.483 15.531 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.388 7.098 17.152 1.00 0.00 H new ATOM 37 N SER A 5 -7.327 8.372 14.482 1.00 0.00 N ATOM 38 CA SER A 5 -8.034 9.466 13.827 1.00 0.00 C ATOM 39 C SER A 5 -9.205 8.939 13.003 1.00 0.00 C ATOM 40 O SER A 5 -9.227 7.773 12.610 1.00 0.00 O ATOM 41 CB SER A 5 -7.078 10.255 12.931 1.00 0.00 C ATOM 42 OG SER A 5 -6.348 11.211 13.681 1.00 0.00 O ATOM 0 H SER A 5 -7.403 7.474 14.003 1.00 0.00 H new ATOM 0 HA SER A 5 -8.425 10.128 14.600 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.388 9.570 12.439 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.642 10.758 12.146 1.00 0.00 H new ATOM 0 HG SER A 5 -6.288 10.918 14.614 1.00 0.00 H new ATOM 48 N SER A 6 -10.176 9.809 12.744 1.00 0.00 N ATOM 49 CA SER A 6 -11.353 9.432 11.969 1.00 0.00 C ATOM 50 C SER A 6 -11.490 10.309 10.728 1.00 0.00 C ATOM 51 O SER A 6 -10.775 11.297 10.571 1.00 0.00 O ATOM 52 CB SER A 6 -12.613 9.544 12.829 1.00 0.00 C ATOM 53 OG SER A 6 -12.806 8.375 13.606 1.00 0.00 O ATOM 0 H SER A 6 -10.171 10.779 13.059 1.00 0.00 H new ATOM 0 HA SER A 6 -11.231 8.397 11.649 1.00 0.00 H new ATOM 0 HB2 SER A 6 -12.534 10.411 13.485 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.480 9.706 12.189 1.00 0.00 H new ATOM 0 HG SER A 6 -13.617 8.473 14.148 1.00 0.00 H new ATOM 59 N GLY A 7 -12.416 9.939 9.849 1.00 0.00 N ATOM 60 CA GLY A 7 -12.632 10.701 8.633 1.00 0.00 C ATOM 61 C GLY A 7 -12.194 9.949 7.392 1.00 0.00 C ATOM 62 O GLY A 7 -11.918 8.750 7.448 1.00 0.00 O ATOM 0 H GLY A 7 -13.021 9.125 9.957 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.689 10.952 8.548 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.085 11.642 8.696 1.00 0.00 H new ATOM 66 N LEU A 8 -12.132 10.652 6.267 1.00 0.00 N ATOM 67 CA LEU A 8 -11.727 10.043 5.005 1.00 0.00 C ATOM 68 C LEU A 8 -10.270 10.367 4.687 1.00 0.00 C ATOM 69 O LEU A 8 -9.574 10.990 5.488 1.00 0.00 O ATOM 70 CB LEU A 8 -12.629 10.529 3.869 1.00 0.00 C ATOM 71 CG LEU A 8 -13.920 9.739 3.653 1.00 0.00 C ATOM 72 CD1 LEU A 8 -13.619 8.383 3.032 1.00 0.00 C ATOM 73 CD2 LEU A 8 -14.668 9.571 4.967 1.00 0.00 C ATOM 0 H LEU A 8 -12.357 11.645 6.203 1.00 0.00 H new ATOM 0 HA LEU A 8 -11.827 8.962 5.103 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -12.891 11.570 4.060 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -12.055 10.509 2.942 1.00 0.00 H new ATOM 0 HG LEU A 8 -14.555 10.298 2.965 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -14.550 7.835 2.886 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -13.126 8.525 2.070 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -12.965 7.816 3.695 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -15.584 9.006 4.794 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -14.039 9.034 5.677 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -14.917 10.552 5.372 1.00 0.00 H new ATOM 85 N GLU A 9 -9.818 9.942 3.512 1.00 0.00 N ATOM 86 CA GLU A 9 -8.444 10.189 3.088 1.00 0.00 C ATOM 87 C GLU A 9 -8.344 10.234 1.566 1.00 0.00 C ATOM 88 O GLU A 9 -8.866 9.361 0.874 1.00 0.00 O ATOM 89 CB GLU A 9 -7.515 9.106 3.639 1.00 0.00 C ATOM 90 CG GLU A 9 -8.006 7.692 3.378 1.00 0.00 C ATOM 91 CD GLU A 9 -6.913 6.654 3.544 1.00 0.00 C ATOM 92 OE1 GLU A 9 -5.836 6.824 2.936 1.00 0.00 O ATOM 93 OE2 GLU A 9 -7.135 5.672 4.284 1.00 0.00 O ATOM 0 H GLU A 9 -10.382 9.426 2.837 1.00 0.00 H new ATOM 0 HA GLU A 9 -8.137 11.157 3.484 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -6.527 9.226 3.195 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -7.401 9.249 4.713 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -8.825 7.464 4.061 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -8.408 7.632 2.367 1.00 0.00 H new ATOM 100 N GLU A 10 -7.670 11.259 1.053 1.00 0.00 N ATOM 101 CA GLU A 10 -7.503 11.419 -0.386 1.00 0.00 C ATOM 102 C GLU A 10 -6.811 10.202 -0.992 1.00 0.00 C ATOM 103 O GLU A 10 -7.371 9.517 -1.849 1.00 0.00 O ATOM 104 CB GLU A 10 -6.696 12.683 -0.691 1.00 0.00 C ATOM 105 CG GLU A 10 -7.550 13.931 -0.833 1.00 0.00 C ATOM 106 CD GLU A 10 -8.474 14.143 0.351 1.00 0.00 C ATOM 107 OE1 GLU A 10 -9.427 13.352 0.508 1.00 0.00 O ATOM 108 OE2 GLU A 10 -8.244 15.100 1.120 1.00 0.00 O ATOM 0 H GLU A 10 -7.231 11.990 1.613 1.00 0.00 H new ATOM 0 HA GLU A 10 -8.493 11.512 -0.833 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -5.968 12.840 0.105 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.133 12.531 -1.612 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -6.901 14.800 -0.943 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.144 13.859 -1.744 1.00 0.00 H new ATOM 115 N VAL A 11 -5.589 9.938 -0.542 1.00 0.00 N ATOM 116 CA VAL A 11 -4.819 8.803 -1.038 1.00 0.00 C ATOM 117 C VAL A 11 -5.642 7.521 -0.996 1.00 0.00 C ATOM 118 O VAL A 11 -6.027 7.055 0.076 1.00 0.00 O ATOM 119 CB VAL A 11 -3.529 8.600 -0.222 1.00 0.00 C ATOM 120 CG1 VAL A 11 -2.733 7.423 -0.765 1.00 0.00 C ATOM 121 CG2 VAL A 11 -2.690 9.869 -0.228 1.00 0.00 C ATOM 0 H VAL A 11 -5.110 10.495 0.166 1.00 0.00 H new ATOM 0 HA VAL A 11 -4.554 9.027 -2.071 1.00 0.00 H new ATOM 0 HB VAL A 11 -3.803 8.378 0.809 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -1.825 7.295 -0.176 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -3.336 6.517 -0.704 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.467 7.612 -1.805 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -1.782 9.708 0.353 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -2.424 10.124 -1.254 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -3.262 10.686 0.212 1.00 0.00 H new ATOM 131 N GLN A 12 -5.906 6.955 -2.169 1.00 0.00 N ATOM 132 CA GLN A 12 -6.684 5.725 -2.265 1.00 0.00 C ATOM 133 C GLN A 12 -5.769 4.513 -2.410 1.00 0.00 C ATOM 134 O GLN A 12 -5.496 4.058 -3.522 1.00 0.00 O ATOM 135 CB GLN A 12 -7.647 5.797 -3.451 1.00 0.00 C ATOM 136 CG GLN A 12 -8.884 4.930 -3.284 1.00 0.00 C ATOM 137 CD GLN A 12 -9.524 4.565 -4.609 1.00 0.00 C ATOM 138 OE1 GLN A 12 -8.840 4.177 -5.556 1.00 0.00 O ATOM 139 NE2 GLN A 12 -10.845 4.687 -4.682 1.00 0.00 N ATOM 0 H GLN A 12 -5.593 7.328 -3.065 1.00 0.00 H new ATOM 0 HA GLN A 12 -7.259 5.615 -1.346 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -7.956 6.832 -3.595 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -7.120 5.493 -4.355 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -8.615 4.018 -2.752 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -9.611 5.457 -2.666 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -11.373 5.012 -3.872 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -11.331 4.455 -5.548 1.00 0.00 H new ATOM 148 N LEU A 13 -5.299 3.994 -1.282 1.00 0.00 N ATOM 149 CA LEU A 13 -4.414 2.834 -1.283 1.00 0.00 C ATOM 150 C LEU A 13 -5.156 1.584 -1.746 1.00 0.00 C ATOM 151 O LEU A 13 -5.804 0.904 -0.951 1.00 0.00 O ATOM 152 CB LEU A 13 -3.835 2.609 0.115 1.00 0.00 C ATOM 153 CG LEU A 13 -3.147 1.263 0.347 1.00 0.00 C ATOM 154 CD1 LEU A 13 -1.854 1.179 -0.450 1.00 0.00 C ATOM 155 CD2 LEU A 13 -2.876 1.051 1.829 1.00 0.00 C ATOM 0 H LEU A 13 -5.516 4.358 -0.354 1.00 0.00 H new ATOM 0 HA LEU A 13 -3.599 3.029 -1.980 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.116 3.402 0.321 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.641 2.713 0.841 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.814 0.472 0.003 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.379 0.214 -0.272 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.074 1.285 -1.512 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.181 1.978 -0.138 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.386 0.088 1.975 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.229 1.847 2.198 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.818 1.066 2.377 1.00 0.00 H new ATOM 167 N VAL A 14 -5.054 1.287 -3.038 1.00 0.00 N ATOM 168 CA VAL A 14 -5.712 0.117 -3.607 1.00 0.00 C ATOM 169 C VAL A 14 -4.721 -1.023 -3.818 1.00 0.00 C ATOM 170 O VAL A 14 -3.879 -0.970 -4.714 1.00 0.00 O ATOM 171 CB VAL A 14 -6.387 0.451 -4.950 1.00 0.00 C ATOM 172 CG1 VAL A 14 -7.017 -0.795 -5.556 1.00 0.00 C ATOM 173 CG2 VAL A 14 -7.425 1.547 -4.766 1.00 0.00 C ATOM 0 H VAL A 14 -4.522 1.840 -3.710 1.00 0.00 H new ATOM 0 HA VAL A 14 -6.474 -0.196 -2.893 1.00 0.00 H new ATOM 0 HB VAL A 14 -5.625 0.815 -5.639 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -7.489 -0.539 -6.505 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -6.246 -1.547 -5.725 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -7.767 -1.192 -4.873 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -7.892 1.770 -5.725 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -8.186 1.213 -4.061 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -6.942 2.445 -4.380 1.00 0.00 H new ATOM 183 N VAL A 15 -4.828 -2.054 -2.986 1.00 0.00 N ATOM 184 CA VAL A 15 -3.943 -3.208 -3.082 1.00 0.00 C ATOM 185 C VAL A 15 -4.577 -4.321 -3.909 1.00 0.00 C ATOM 186 O VAL A 15 -5.784 -4.317 -4.150 1.00 0.00 O ATOM 187 CB VAL A 15 -3.586 -3.760 -1.689 1.00 0.00 C ATOM 188 CG1 VAL A 15 -2.948 -2.676 -0.833 1.00 0.00 C ATOM 189 CG2 VAL A 15 -4.822 -4.329 -1.009 1.00 0.00 C ATOM 0 H VAL A 15 -5.519 -2.113 -2.238 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.032 -2.867 -3.574 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.863 -4.566 -1.811 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.702 -3.084 0.147 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.038 -2.320 -1.316 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -3.646 -1.847 -0.716 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.551 -4.715 -0.026 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.570 -3.544 -0.898 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.232 -5.137 -1.615 1.00 0.00 H new ATOM 199 N GLU A 16 -3.756 -5.272 -4.341 1.00 0.00 N ATOM 200 CA GLU A 16 -4.238 -6.391 -5.142 1.00 0.00 C ATOM 201 C GLU A 16 -3.668 -7.711 -4.631 1.00 0.00 C ATOM 202 O GLU A 16 -2.457 -7.930 -4.618 1.00 0.00 O ATOM 203 CB GLU A 16 -3.860 -6.195 -6.612 1.00 0.00 C ATOM 204 CG GLU A 16 -4.677 -5.123 -7.313 1.00 0.00 C ATOM 205 CD GLU A 16 -4.697 -5.296 -8.819 1.00 0.00 C ATOM 206 OE1 GLU A 16 -3.623 -5.180 -9.445 1.00 0.00 O ATOM 207 OE2 GLU A 16 -5.788 -5.548 -9.373 1.00 0.00 O ATOM 0 H GLU A 16 -2.754 -5.290 -4.150 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.324 -6.426 -5.055 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.804 -5.934 -6.675 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.987 -7.140 -7.140 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -5.699 -5.145 -6.935 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -4.268 -4.142 -7.069 1.00 0.00 H new ATOM 214 N PRO A 17 -4.562 -8.613 -4.199 1.00 0.00 N ATOM 215 CA PRO A 17 -6.007 -8.363 -4.209 1.00 0.00 C ATOM 216 C PRO A 17 -6.421 -7.315 -3.182 1.00 0.00 C ATOM 217 O PRO A 17 -5.742 -7.118 -2.174 1.00 0.00 O ATOM 218 CB PRO A 17 -6.605 -9.726 -3.852 1.00 0.00 C ATOM 219 CG PRO A 17 -5.534 -10.421 -3.084 1.00 0.00 C ATOM 220 CD PRO A 17 -4.232 -9.945 -3.666 1.00 0.00 C ATOM 0 HA PRO A 17 -6.346 -7.971 -5.168 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -7.512 -9.617 -3.257 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.877 -10.286 -4.747 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -5.597 -10.182 -2.022 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -5.629 -11.503 -3.174 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -3.449 -9.892 -2.909 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -3.874 -10.613 -4.449 1.00 0.00 H new ATOM 228 N GLU A 18 -7.538 -6.644 -3.444 1.00 0.00 N ATOM 229 CA GLU A 18 -8.042 -5.616 -2.542 1.00 0.00 C ATOM 230 C GLU A 18 -8.052 -6.115 -1.100 1.00 0.00 C ATOM 231 O GLU A 18 -7.685 -5.389 -0.177 1.00 0.00 O ATOM 232 CB GLU A 18 -9.451 -5.188 -2.955 1.00 0.00 C ATOM 233 CG GLU A 18 -10.495 -6.277 -2.774 1.00 0.00 C ATOM 234 CD GLU A 18 -11.858 -5.872 -3.302 1.00 0.00 C ATOM 235 OE1 GLU A 18 -12.028 -5.830 -4.538 1.00 0.00 O ATOM 236 OE2 GLU A 18 -12.755 -5.596 -2.478 1.00 0.00 O ATOM 0 H GLU A 18 -8.111 -6.794 -4.274 1.00 0.00 H new ATOM 0 HA GLU A 18 -7.376 -4.755 -2.606 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -9.743 -4.316 -2.370 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -9.436 -4.880 -4.001 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -10.165 -7.181 -3.287 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -10.578 -6.523 -1.715 1.00 0.00 H new ATOM 243 N GLY A 19 -8.477 -7.361 -0.914 1.00 0.00 N ATOM 244 CA GLY A 19 -8.529 -7.937 0.417 1.00 0.00 C ATOM 245 C GLY A 19 -7.238 -7.736 1.186 1.00 0.00 C ATOM 246 O GLY A 19 -7.259 -7.400 2.370 1.00 0.00 O ATOM 0 H GLY A 19 -8.786 -7.982 -1.662 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -9.353 -7.488 0.972 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -8.740 -9.004 0.340 1.00 0.00 H new ATOM 250 N GLY A 20 -6.111 -7.944 0.513 1.00 0.00 N ATOM 251 CA GLY A 20 -4.821 -7.780 1.157 1.00 0.00 C ATOM 252 C GLY A 20 -4.255 -9.092 1.662 1.00 0.00 C ATOM 253 O GLY A 20 -3.593 -9.132 2.699 1.00 0.00 O ATOM 0 H GLY A 20 -6.068 -8.223 -0.467 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -4.120 -7.333 0.452 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -4.920 -7.085 1.991 1.00 0.00 H new ATOM 257 N ALA A 21 -4.516 -10.169 0.928 1.00 0.00 N ATOM 258 CA ALA A 21 -4.027 -11.489 1.307 1.00 0.00 C ATOM 259 C ALA A 21 -3.759 -12.349 0.077 1.00 0.00 C ATOM 260 O ALA A 21 -4.590 -12.433 -0.827 1.00 0.00 O ATOM 261 CB ALA A 21 -5.024 -12.176 2.228 1.00 0.00 C ATOM 0 H ALA A 21 -5.063 -10.153 0.067 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.085 -11.362 1.840 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.646 -13.161 2.503 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.162 -11.576 3.127 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -5.979 -12.284 1.714 1.00 0.00 H new ATOM 267 N VAL A 22 -2.594 -12.988 0.050 1.00 0.00 N ATOM 268 CA VAL A 22 -2.217 -13.843 -1.070 1.00 0.00 C ATOM 269 C VAL A 22 -1.476 -15.085 -0.587 1.00 0.00 C ATOM 270 O VAL A 22 -0.959 -15.118 0.529 1.00 0.00 O ATOM 271 CB VAL A 22 -1.330 -13.089 -2.078 1.00 0.00 C ATOM 272 CG1 VAL A 22 -2.050 -11.857 -2.606 1.00 0.00 C ATOM 273 CG2 VAL A 22 -0.003 -12.708 -1.439 1.00 0.00 C ATOM 0 H VAL A 22 -1.895 -12.930 0.790 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.141 -14.143 -1.564 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.125 -13.750 -2.920 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.408 -11.337 -3.317 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.972 -12.159 -3.103 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.287 -11.191 -1.777 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.611 -12.176 -2.166 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.185 -12.065 -0.578 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.517 -13.610 -1.115 1.00 0.00 H new ATOM 283 N ALA A 23 -1.428 -16.106 -1.437 1.00 0.00 N ATOM 284 CA ALA A 23 -0.748 -17.350 -1.099 1.00 0.00 C ATOM 285 C ALA A 23 0.751 -17.128 -0.929 1.00 0.00 C ATOM 286 O ALA A 23 1.302 -16.107 -1.342 1.00 0.00 O ATOM 287 CB ALA A 23 -1.010 -18.402 -2.167 1.00 0.00 C ATOM 0 H ALA A 23 -1.852 -16.096 -2.365 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.146 -17.706 -0.149 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.496 -19.326 -1.902 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.081 -18.590 -2.237 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.641 -18.045 -3.128 1.00 0.00 H new ATOM 293 N PRO A 24 1.428 -18.104 -0.306 1.00 0.00 N ATOM 294 CA PRO A 24 2.872 -18.037 -0.066 1.00 0.00 C ATOM 295 C PRO A 24 3.680 -18.165 -1.354 1.00 0.00 C ATOM 296 O PRO A 24 4.076 -19.263 -1.743 1.00 0.00 O ATOM 297 CB PRO A 24 3.136 -19.234 0.851 1.00 0.00 C ATOM 298 CG PRO A 24 2.034 -20.190 0.552 1.00 0.00 C ATOM 299 CD PRO A 24 0.835 -19.348 0.213 1.00 0.00 C ATOM 0 HA PRO A 24 3.169 -17.080 0.363 1.00 0.00 H new ATOM 0 HB2 PRO A 24 4.111 -19.679 0.651 1.00 0.00 H new ATOM 0 HB3 PRO A 24 3.130 -18.938 1.900 1.00 0.00 H new ATOM 0 HG2 PRO A 24 2.299 -20.844 -0.279 1.00 0.00 H new ATOM 0 HG3 PRO A 24 1.830 -20.831 1.410 1.00 0.00 H new ATOM 0 HD2 PRO A 24 0.201 -19.832 -0.530 1.00 0.00 H new ATOM 0 HD3 PRO A 24 0.214 -19.162 1.089 1.00 0.00 H new ATOM 307 N GLY A 25 3.920 -17.034 -2.011 1.00 0.00 N ATOM 308 CA GLY A 25 4.680 -17.042 -3.248 1.00 0.00 C ATOM 309 C GLY A 25 3.959 -16.331 -4.375 1.00 0.00 C ATOM 310 O GLY A 25 4.211 -16.599 -5.549 1.00 0.00 O ATOM 0 H GLY A 25 3.602 -16.113 -1.709 1.00 0.00 H new ATOM 0 HA2 GLY A 25 5.646 -16.565 -3.081 1.00 0.00 H new ATOM 0 HA3 GLY A 25 4.880 -18.073 -3.542 1.00 0.00 H new ATOM 314 N GLY A 26 3.057 -15.421 -4.019 1.00 0.00 N ATOM 315 CA GLY A 26 2.309 -14.685 -5.021 1.00 0.00 C ATOM 316 C GLY A 26 2.903 -13.318 -5.299 1.00 0.00 C ATOM 317 O GLY A 26 4.092 -13.090 -5.071 1.00 0.00 O ATOM 0 H GLY A 26 2.831 -15.181 -3.054 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.282 -15.261 -5.946 1.00 0.00 H new ATOM 0 HA3 GLY A 26 1.278 -14.569 -4.688 1.00 0.00 H new ATOM 321 N THR A 27 2.075 -12.405 -5.796 1.00 0.00 N ATOM 322 CA THR A 27 2.525 -11.054 -6.108 1.00 0.00 C ATOM 323 C THR A 27 1.441 -10.028 -5.797 1.00 0.00 C ATOM 324 O THR A 27 0.381 -10.021 -6.422 1.00 0.00 O ATOM 325 CB THR A 27 2.929 -10.925 -7.589 1.00 0.00 C ATOM 326 OG1 THR A 27 3.838 -11.973 -7.942 1.00 0.00 O ATOM 327 CG2 THR A 27 3.574 -9.574 -7.858 1.00 0.00 C ATOM 0 H THR A 27 1.089 -12.577 -5.991 1.00 0.00 H new ATOM 0 HA THR A 27 3.396 -10.858 -5.483 1.00 0.00 H new ATOM 0 HB THR A 27 2.028 -11.007 -8.197 1.00 0.00 H new ATOM 0 HG1 THR A 27 4.089 -11.885 -8.885 1.00 0.00 H new ATOM 0 HG21 THR A 27 3.851 -9.506 -8.910 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.868 -8.779 -7.616 1.00 0.00 H new ATOM 0 HG23 THR A 27 4.466 -9.467 -7.241 1.00 0.00 H new ATOM 335 N VAL A 28 1.715 -9.160 -4.828 1.00 0.00 N ATOM 336 CA VAL A 28 0.764 -8.127 -4.435 1.00 0.00 C ATOM 337 C VAL A 28 1.182 -6.763 -4.971 1.00 0.00 C ATOM 338 O VAL A 28 2.321 -6.334 -4.788 1.00 0.00 O ATOM 339 CB VAL A 28 0.625 -8.045 -2.903 1.00 0.00 C ATOM 340 CG1 VAL A 28 -0.283 -6.889 -2.510 1.00 0.00 C ATOM 341 CG2 VAL A 28 0.101 -9.359 -2.344 1.00 0.00 C ATOM 0 H VAL A 28 2.588 -9.152 -4.301 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.199 -8.403 -4.865 1.00 0.00 H new ATOM 0 HB VAL A 28 1.611 -7.863 -2.476 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.369 -6.847 -1.424 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.139 -5.954 -2.877 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.271 -7.037 -2.947 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.009 -9.283 -1.261 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.876 -9.575 -2.777 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.794 -10.163 -2.594 1.00 0.00 H new ATOM 351 N THR A 29 0.251 -6.083 -5.634 1.00 0.00 N ATOM 352 CA THR A 29 0.522 -4.767 -6.198 1.00 0.00 C ATOM 353 C THR A 29 -0.213 -3.676 -5.427 1.00 0.00 C ATOM 354 O THR A 29 -1.410 -3.463 -5.623 1.00 0.00 O ATOM 355 CB THR A 29 0.113 -4.696 -7.681 1.00 0.00 C ATOM 356 OG1 THR A 29 0.837 -5.673 -8.436 1.00 0.00 O ATOM 357 CG2 THR A 29 0.379 -3.310 -8.250 1.00 0.00 C ATOM 0 H THR A 29 -0.698 -6.423 -5.793 1.00 0.00 H new ATOM 0 HA THR A 29 1.597 -4.604 -6.117 1.00 0.00 H new ATOM 0 HB THR A 29 -0.955 -4.902 -7.751 1.00 0.00 H new ATOM 0 HG1 THR A 29 0.570 -5.623 -9.378 1.00 0.00 H new ATOM 0 HG21 THR A 29 0.082 -3.284 -9.299 1.00 0.00 H new ATOM 0 HG22 THR A 29 -0.196 -2.571 -7.692 1.00 0.00 H new ATOM 0 HG23 THR A 29 1.441 -3.081 -8.168 1.00 0.00 H new ATOM 365 N LEU A 30 0.510 -2.988 -4.550 1.00 0.00 N ATOM 366 CA LEU A 30 -0.074 -1.918 -3.749 1.00 0.00 C ATOM 367 C LEU A 30 -0.104 -0.608 -4.530 1.00 0.00 C ATOM 368 O LEU A 30 0.936 0.000 -4.785 1.00 0.00 O ATOM 369 CB LEU A 30 0.717 -1.734 -2.453 1.00 0.00 C ATOM 370 CG LEU A 30 0.668 -2.901 -1.466 1.00 0.00 C ATOM 371 CD1 LEU A 30 1.800 -3.880 -1.740 1.00 0.00 C ATOM 372 CD2 LEU A 30 0.737 -2.391 -0.034 1.00 0.00 C ATOM 0 H LEU A 30 1.502 -3.152 -4.376 1.00 0.00 H new ATOM 0 HA LEU A 30 -1.099 -2.198 -3.505 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.759 -1.545 -2.711 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.347 -0.842 -1.948 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.278 -3.425 -1.599 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.749 -4.704 -1.028 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.706 -4.270 -2.753 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.757 -3.368 -1.635 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.701 -3.235 0.655 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.668 -1.843 0.112 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.108 -1.730 0.158 1.00 0.00 H new ATOM 384 N THR A 31 -1.304 -0.176 -4.906 1.00 0.00 N ATOM 385 CA THR A 31 -1.470 1.062 -5.656 1.00 0.00 C ATOM 386 C THR A 31 -1.717 2.242 -4.723 1.00 0.00 C ATOM 387 O THR A 31 -2.582 2.185 -3.849 1.00 0.00 O ATOM 388 CB THR A 31 -2.637 0.960 -6.657 1.00 0.00 C ATOM 389 OG1 THR A 31 -2.455 -0.177 -7.507 1.00 0.00 O ATOM 390 CG2 THR A 31 -2.737 2.221 -7.502 1.00 0.00 C ATOM 0 H THR A 31 -2.175 -0.666 -4.703 1.00 0.00 H new ATOM 0 HA THR A 31 -0.543 1.225 -6.205 1.00 0.00 H new ATOM 0 HB THR A 31 -3.562 0.846 -6.092 1.00 0.00 H new ATOM 0 HG1 THR A 31 -3.202 -0.236 -8.139 1.00 0.00 H new ATOM 0 HG21 THR A 31 -3.568 2.126 -8.201 1.00 0.00 H new ATOM 0 HG22 THR A 31 -2.905 3.081 -6.854 1.00 0.00 H new ATOM 0 HG23 THR A 31 -1.810 2.361 -8.058 1.00 0.00 H new ATOM 398 N CYS A 32 -0.952 3.311 -4.914 1.00 0.00 N ATOM 399 CA CYS A 32 -1.087 4.506 -4.089 1.00 0.00 C ATOM 400 C CYS A 32 -1.212 5.755 -4.957 1.00 0.00 C ATOM 401 O CYS A 32 -0.641 6.799 -4.644 1.00 0.00 O ATOM 402 CB CYS A 32 0.113 4.642 -3.150 1.00 0.00 C ATOM 403 SG CYS A 32 0.001 6.049 -1.999 1.00 0.00 S ATOM 0 H CYS A 32 -0.232 3.375 -5.633 1.00 0.00 H new ATOM 0 HA CYS A 32 -1.995 4.406 -3.494 1.00 0.00 H new ATOM 0 HB2 CYS A 32 0.216 3.722 -2.574 1.00 0.00 H new ATOM 0 HB3 CYS A 32 1.018 4.747 -3.748 1.00 0.00 H new ATOM 408 N GLU A 33 -1.962 5.638 -6.049 1.00 0.00 N ATOM 409 CA GLU A 33 -2.161 6.757 -6.962 1.00 0.00 C ATOM 410 C GLU A 33 -3.157 7.759 -6.386 1.00 0.00 C ATOM 411 O GLU A 33 -3.644 7.594 -5.267 1.00 0.00 O ATOM 412 CB GLU A 33 -2.653 6.255 -8.320 1.00 0.00 C ATOM 413 CG GLU A 33 -4.058 5.676 -8.283 1.00 0.00 C ATOM 414 CD GLU A 33 -4.647 5.484 -9.667 1.00 0.00 C ATOM 415 OE1 GLU A 33 -4.941 6.499 -10.332 1.00 0.00 O ATOM 416 OE2 GLU A 33 -4.813 4.319 -10.085 1.00 0.00 O ATOM 0 H GLU A 33 -2.441 4.780 -6.322 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.203 7.259 -7.094 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.627 7.079 -9.033 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -1.965 5.494 -8.687 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -4.038 4.717 -7.765 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -4.704 6.337 -7.706 1.00 0.00 H new ATOM 423 N VAL A 34 -3.456 8.799 -7.159 1.00 0.00 N ATOM 424 CA VAL A 34 -4.395 9.827 -6.727 1.00 0.00 C ATOM 425 C VAL A 34 -5.111 10.453 -7.918 1.00 0.00 C ATOM 426 O VAL A 34 -4.492 11.036 -8.810 1.00 0.00 O ATOM 427 CB VAL A 34 -3.684 10.936 -5.929 1.00 0.00 C ATOM 428 CG1 VAL A 34 -4.701 11.839 -5.246 1.00 0.00 C ATOM 429 CG2 VAL A 34 -2.729 10.331 -4.911 1.00 0.00 C ATOM 0 H VAL A 34 -3.061 8.951 -8.087 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.126 9.338 -6.084 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.103 11.543 -6.623 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.180 12.616 -4.687 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -5.341 12.300 -5.998 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -5.311 11.248 -4.563 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.235 11.129 -4.356 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.287 9.699 -4.219 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.980 9.731 -5.427 1.00 0.00 H new ATOM 439 N PRO A 35 -6.446 10.332 -7.937 1.00 0.00 N ATOM 440 CA PRO A 35 -7.276 10.881 -9.013 1.00 0.00 C ATOM 441 C PRO A 35 -7.317 12.405 -8.995 1.00 0.00 C ATOM 442 O PRO A 35 -7.036 13.055 -10.001 1.00 0.00 O ATOM 443 CB PRO A 35 -8.664 10.306 -8.719 1.00 0.00 C ATOM 444 CG PRO A 35 -8.661 10.037 -7.254 1.00 0.00 C ATOM 445 CD PRO A 35 -7.249 9.651 -6.907 1.00 0.00 C ATOM 0 HA PRO A 35 -6.890 10.619 -9.998 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -9.450 11.011 -8.990 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -8.843 9.394 -9.288 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -8.973 10.919 -6.695 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -9.357 9.237 -7.003 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -6.978 9.979 -5.904 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -7.109 8.570 -6.937 1.00 0.00 H new ATOM 453 N ALA A 36 -7.667 12.969 -7.843 1.00 0.00 N ATOM 454 CA ALA A 36 -7.742 14.417 -7.694 1.00 0.00 C ATOM 455 C ALA A 36 -6.352 15.044 -7.718 1.00 0.00 C ATOM 456 O ALA A 36 -5.990 15.735 -8.669 1.00 0.00 O ATOM 457 CB ALA A 36 -8.463 14.778 -6.403 1.00 0.00 C ATOM 0 H ALA A 36 -7.903 12.445 -7.000 1.00 0.00 H new ATOM 0 HA ALA A 36 -8.307 14.815 -8.537 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -8.512 15.862 -6.305 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -9.473 14.370 -6.424 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -7.921 14.361 -5.555 1.00 0.00 H new ATOM 463 N GLN A 37 -5.578 14.797 -6.666 1.00 0.00 N ATOM 464 CA GLN A 37 -4.228 15.339 -6.567 1.00 0.00 C ATOM 465 C GLN A 37 -3.293 14.654 -7.558 1.00 0.00 C ATOM 466 O GLN A 37 -3.581 13.576 -8.077 1.00 0.00 O ATOM 467 CB GLN A 37 -3.692 15.174 -5.144 1.00 0.00 C ATOM 468 CG GLN A 37 -3.966 16.372 -4.248 1.00 0.00 C ATOM 469 CD GLN A 37 -5.391 16.400 -3.731 1.00 0.00 C ATOM 470 OE1 GLN A 37 -5.893 15.406 -3.207 1.00 0.00 O ATOM 471 NE2 GLN A 37 -6.051 17.543 -3.878 1.00 0.00 N ATOM 0 H GLN A 37 -5.863 14.225 -5.871 1.00 0.00 H new ATOM 0 HA GLN A 37 -4.271 16.401 -6.810 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -4.139 14.286 -4.697 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -2.617 15.002 -5.187 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -3.277 16.354 -3.403 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -3.767 17.289 -4.803 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -5.595 18.342 -4.318 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -7.014 17.622 -3.550 1.00 0.00 H new ATOM 480 N PRO A 38 -2.145 15.293 -7.827 1.00 0.00 N ATOM 481 CA PRO A 38 -1.143 14.764 -8.758 1.00 0.00 C ATOM 482 C PRO A 38 -0.440 13.527 -8.210 1.00 0.00 C ATOM 483 O PRO A 38 -0.913 12.901 -7.261 1.00 0.00 O ATOM 484 CB PRO A 38 -0.152 15.920 -8.908 1.00 0.00 C ATOM 485 CG PRO A 38 -0.293 16.706 -7.650 1.00 0.00 C ATOM 486 CD PRO A 38 -1.735 16.582 -7.244 1.00 0.00 C ATOM 0 HA PRO A 38 -1.590 14.444 -9.699 1.00 0.00 H new ATOM 0 HB2 PRO A 38 0.867 15.554 -9.034 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -0.383 16.528 -9.783 1.00 0.00 H new ATOM 0 HG2 PRO A 38 0.366 16.320 -6.872 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -0.021 17.749 -7.809 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -1.849 16.587 -6.160 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -2.334 17.407 -7.631 1.00 0.00 H new ATOM 494 N SER A 39 0.692 13.179 -8.813 1.00 0.00 N ATOM 495 CA SER A 39 1.459 12.014 -8.387 1.00 0.00 C ATOM 496 C SER A 39 2.735 12.438 -7.665 1.00 0.00 C ATOM 497 O SER A 39 3.822 12.474 -8.242 1.00 0.00 O ATOM 498 CB SER A 39 1.808 11.139 -9.592 1.00 0.00 C ATOM 499 OG SER A 39 2.467 11.891 -10.595 1.00 0.00 O ATOM 0 H SER A 39 1.099 13.687 -9.598 1.00 0.00 H new ATOM 0 HA SER A 39 0.845 11.438 -7.695 1.00 0.00 H new ATOM 0 HB2 SER A 39 2.446 10.314 -9.274 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.899 10.699 -10.001 1.00 0.00 H new ATOM 0 HG SER A 39 3.221 12.375 -10.198 1.00 0.00 H new ATOM 505 N PRO A 40 2.600 12.767 -6.372 1.00 0.00 N ATOM 506 CA PRO A 40 3.731 13.194 -5.542 1.00 0.00 C ATOM 507 C PRO A 40 4.701 12.053 -5.252 1.00 0.00 C ATOM 508 O PRO A 40 4.674 11.020 -5.920 1.00 0.00 O ATOM 509 CB PRO A 40 3.063 13.668 -4.249 1.00 0.00 C ATOM 510 CG PRO A 40 1.774 12.922 -4.192 1.00 0.00 C ATOM 511 CD PRO A 40 1.335 12.747 -5.620 1.00 0.00 C ATOM 0 HA PRO A 40 4.331 13.960 -6.034 1.00 0.00 H new ATOM 0 HB2 PRO A 40 3.684 13.451 -3.380 1.00 0.00 H new ATOM 0 HB3 PRO A 40 2.897 14.745 -4.261 1.00 0.00 H new ATOM 0 HG2 PRO A 40 1.903 11.957 -3.702 1.00 0.00 H new ATOM 0 HG3 PRO A 40 1.029 13.474 -3.619 1.00 0.00 H new ATOM 0 HD2 PRO A 40 0.798 11.809 -5.763 1.00 0.00 H new ATOM 0 HD3 PRO A 40 0.667 13.548 -5.936 1.00 0.00 H new ATOM 519 N GLN A 41 5.555 12.249 -4.254 1.00 0.00 N ATOM 520 CA GLN A 41 6.534 11.235 -3.877 1.00 0.00 C ATOM 521 C GLN A 41 5.878 10.117 -3.074 1.00 0.00 C ATOM 522 O GLN A 41 5.620 10.266 -1.879 1.00 0.00 O ATOM 523 CB GLN A 41 7.666 11.866 -3.064 1.00 0.00 C ATOM 524 CG GLN A 41 8.680 12.616 -3.913 1.00 0.00 C ATOM 525 CD GLN A 41 9.814 13.195 -3.091 1.00 0.00 C ATOM 526 OE1 GLN A 41 9.635 13.544 -1.924 1.00 0.00 O ATOM 527 NE2 GLN A 41 10.991 13.301 -3.697 1.00 0.00 N ATOM 0 H GLN A 41 5.590 13.099 -3.692 1.00 0.00 H new ATOM 0 HA GLN A 41 6.947 10.807 -4.791 1.00 0.00 H new ATOM 0 HB2 GLN A 41 7.238 12.552 -2.333 1.00 0.00 H new ATOM 0 HB3 GLN A 41 8.180 11.084 -2.505 1.00 0.00 H new ATOM 0 HG2 GLN A 41 9.089 11.941 -4.665 1.00 0.00 H new ATOM 0 HG3 GLN A 41 8.176 13.421 -4.448 1.00 0.00 H new ATOM 0 HE21 GLN A 41 11.095 12.999 -4.666 1.00 0.00 H new ATOM 0 HE22 GLN A 41 11.791 13.684 -3.194 1.00 0.00 H new ATOM 536 N ILE A 42 5.610 8.997 -3.738 1.00 0.00 N ATOM 537 CA ILE A 42 4.985 7.854 -3.085 1.00 0.00 C ATOM 538 C ILE A 42 6.031 6.940 -2.456 1.00 0.00 C ATOM 539 O ILE A 42 6.956 6.482 -3.128 1.00 0.00 O ATOM 540 CB ILE A 42 4.134 7.036 -4.076 1.00 0.00 C ATOM 541 CG1 ILE A 42 3.238 7.964 -4.898 1.00 0.00 C ATOM 542 CG2 ILE A 42 3.298 6.006 -3.331 1.00 0.00 C ATOM 543 CD1 ILE A 42 2.237 8.733 -4.065 1.00 0.00 C ATOM 0 H ILE A 42 5.816 8.857 -4.727 1.00 0.00 H new ATOM 0 HA ILE A 42 4.337 8.252 -2.304 1.00 0.00 H new ATOM 0 HB ILE A 42 4.802 6.509 -4.758 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.864 8.671 -5.443 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.702 7.374 -5.641 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.702 5.436 -4.044 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.956 5.330 -2.785 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.636 6.513 -2.629 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.636 9.370 -4.714 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.586 8.033 -3.540 1.00 0.00 H new ATOM 0 HD13 ILE A 42 2.766 9.351 -3.339 1.00 0.00 H new ATOM 555 N HIS A 43 5.878 6.676 -1.163 1.00 0.00 N ATOM 556 CA HIS A 43 6.808 5.814 -0.442 1.00 0.00 C ATOM 557 C HIS A 43 6.095 4.580 0.101 1.00 0.00 C ATOM 558 O HIS A 43 4.873 4.465 0.007 1.00 0.00 O ATOM 559 CB HIS A 43 7.466 6.583 0.703 1.00 0.00 C ATOM 560 CG HIS A 43 8.727 7.287 0.306 1.00 0.00 C ATOM 561 ND1 HIS A 43 8.754 8.597 -0.124 1.00 0.00 N ATOM 562 CD2 HIS A 43 10.010 6.857 0.276 1.00 0.00 C ATOM 563 CE1 HIS A 43 9.999 8.941 -0.403 1.00 0.00 C ATOM 564 NE2 HIS A 43 10.781 7.903 -0.168 1.00 0.00 N ATOM 0 H HIS A 43 5.118 7.047 -0.592 1.00 0.00 H new ATOM 0 HA HIS A 43 7.579 5.488 -1.140 1.00 0.00 H new ATOM 0 HB2 HIS A 43 6.758 7.315 1.092 1.00 0.00 H new ATOM 0 HB3 HIS A 43 7.687 5.890 1.515 1.00 0.00 H new ATOM 0 HD2 HIS A 43 10.362 5.874 0.550 1.00 0.00 H new ATOM 0 HE1 HIS A 43 10.322 9.907 -0.762 1.00 0.00 H new ATOM 0 HE2 HIS A 43 11.793 7.882 -0.296 1.00 0.00 H new ATOM 573 N TRP A 44 6.866 3.659 0.669 1.00 0.00 N ATOM 574 CA TRP A 44 6.308 2.433 1.226 1.00 0.00 C ATOM 575 C TRP A 44 7.047 2.026 2.497 1.00 0.00 C ATOM 576 O TRP A 44 8.270 1.886 2.496 1.00 0.00 O ATOM 577 CB TRP A 44 6.377 1.303 0.198 1.00 0.00 C ATOM 578 CG TRP A 44 5.445 1.496 -0.960 1.00 0.00 C ATOM 579 CD1 TRP A 44 5.785 1.847 -2.235 1.00 0.00 C ATOM 580 CD2 TRP A 44 4.021 1.351 -0.947 1.00 0.00 C ATOM 581 NE1 TRP A 44 4.657 1.929 -3.017 1.00 0.00 N ATOM 582 CE2 TRP A 44 3.562 1.628 -2.250 1.00 0.00 C ATOM 583 CE3 TRP A 44 3.088 1.012 0.037 1.00 0.00 C ATOM 584 CZ2 TRP A 44 2.213 1.577 -2.591 1.00 0.00 C ATOM 585 CZ3 TRP A 44 1.750 0.962 -0.303 1.00 0.00 C ATOM 586 CH2 TRP A 44 1.322 1.243 -1.607 1.00 0.00 C ATOM 0 H TRP A 44 7.879 3.739 0.756 1.00 0.00 H new ATOM 0 HA TRP A 44 5.265 2.621 1.479 1.00 0.00 H new ATOM 0 HB2 TRP A 44 7.398 1.223 -0.176 1.00 0.00 H new ATOM 0 HB3 TRP A 44 6.143 0.359 0.690 1.00 0.00 H new ATOM 0 HD1 TRP A 44 6.792 2.033 -2.579 1.00 0.00 H new ATOM 0 HE1 TRP A 44 4.638 2.174 -4.007 1.00 0.00 H new ATOM 0 HE3 TRP A 44 3.407 0.793 1.045 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 1.882 1.793 -3.596 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 1.021 0.702 0.450 1.00 0.00 H new ATOM 0 HH2 TRP A 44 0.269 1.195 -1.840 1.00 0.00 H new ATOM 597 N MET A 45 6.298 1.839 3.578 1.00 0.00 N ATOM 598 CA MET A 45 6.884 1.447 4.855 1.00 0.00 C ATOM 599 C MET A 45 6.179 0.219 5.422 1.00 0.00 C ATOM 600 O MET A 45 5.062 -0.109 5.021 1.00 0.00 O ATOM 601 CB MET A 45 6.803 2.603 5.853 1.00 0.00 C ATOM 602 CG MET A 45 7.248 3.937 5.276 1.00 0.00 C ATOM 603 SD MET A 45 7.946 5.036 6.524 1.00 0.00 S ATOM 604 CE MET A 45 6.692 4.941 7.799 1.00 0.00 C ATOM 0 H MET A 45 5.284 1.952 3.596 1.00 0.00 H new ATOM 0 HA MET A 45 7.931 1.196 4.685 1.00 0.00 H new ATOM 0 HB2 MET A 45 5.776 2.694 6.208 1.00 0.00 H new ATOM 0 HB3 MET A 45 7.420 2.368 6.720 1.00 0.00 H new ATOM 0 HG2 MET A 45 7.989 3.762 4.496 1.00 0.00 H new ATOM 0 HG3 MET A 45 6.397 4.426 4.802 1.00 0.00 H new ATOM 0 HE1 MET A 45 6.846 5.743 8.521 1.00 0.00 H new ATOM 0 HE2 MET A 45 5.705 5.043 7.347 1.00 0.00 H new ATOM 0 HE3 MET A 45 6.761 3.979 8.306 1.00 0.00 H new ATOM 614 N LYS A 46 6.839 -0.456 6.357 1.00 0.00 N ATOM 615 CA LYS A 46 6.276 -1.648 6.981 1.00 0.00 C ATOM 616 C LYS A 46 6.384 -1.569 8.501 1.00 0.00 C ATOM 617 O LYS A 46 7.482 -1.583 9.056 1.00 0.00 O ATOM 618 CB LYS A 46 6.991 -2.901 6.473 1.00 0.00 C ATOM 619 CG LYS A 46 6.213 -4.184 6.709 1.00 0.00 C ATOM 620 CD LYS A 46 6.989 -5.402 6.237 1.00 0.00 C ATOM 621 CE LYS A 46 6.294 -6.695 6.635 1.00 0.00 C ATOM 622 NZ LYS A 46 6.630 -7.098 8.029 1.00 0.00 N ATOM 0 H LYS A 46 7.764 -0.198 6.699 1.00 0.00 H new ATOM 0 HA LYS A 46 5.221 -1.705 6.712 1.00 0.00 H new ATOM 0 HB2 LYS A 46 7.181 -2.793 5.405 1.00 0.00 H new ATOM 0 HB3 LYS A 46 7.961 -2.979 6.963 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.988 -4.284 7.771 1.00 0.00 H new ATOM 0 HG3 LYS A 46 5.259 -4.134 6.184 1.00 0.00 H new ATOM 0 HD2 LYS A 46 7.100 -5.366 5.153 1.00 0.00 H new ATOM 0 HD3 LYS A 46 7.993 -5.382 6.661 1.00 0.00 H new ATOM 0 HE2 LYS A 46 5.215 -6.571 6.543 1.00 0.00 H new ATOM 0 HE3 LYS A 46 6.583 -7.490 5.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 6.137 -7.983 8.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 7.657 -7.241 8.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 6.331 -6.351 8.688 1.00 0.00 H new ATOM 636 N ASP A 47 5.237 -1.487 9.167 1.00 0.00 N ATOM 637 CA ASP A 47 5.203 -1.408 10.623 1.00 0.00 C ATOM 638 C ASP A 47 5.801 -0.092 11.110 1.00 0.00 C ATOM 639 O ASP A 47 6.514 -0.056 12.112 1.00 0.00 O ATOM 640 CB ASP A 47 5.963 -2.586 11.236 1.00 0.00 C ATOM 641 CG ASP A 47 5.813 -2.649 12.744 1.00 0.00 C ATOM 642 OD1 ASP A 47 4.716 -3.012 13.216 1.00 0.00 O ATOM 643 OD2 ASP A 47 6.794 -2.334 13.451 1.00 0.00 O ATOM 0 H ASP A 47 4.319 -1.474 8.722 1.00 0.00 H new ATOM 0 HA ASP A 47 4.161 -1.452 10.941 1.00 0.00 H new ATOM 0 HB2 ASP A 47 5.600 -3.516 10.798 1.00 0.00 H new ATOM 0 HB3 ASP A 47 7.020 -2.505 10.982 1.00 0.00 H new ATOM 648 N GLY A 48 5.505 0.988 10.394 1.00 0.00 N ATOM 649 CA GLY A 48 6.022 2.291 10.768 1.00 0.00 C ATOM 650 C GLY A 48 7.516 2.410 10.540 1.00 0.00 C ATOM 651 O GLY A 48 8.216 3.082 11.297 1.00 0.00 O ATOM 0 H GLY A 48 4.916 0.984 9.561 1.00 0.00 H new ATOM 0 HA2 GLY A 48 5.508 3.061 10.193 1.00 0.00 H new ATOM 0 HA3 GLY A 48 5.802 2.478 11.819 1.00 0.00 H new ATOM 655 N VAL A 49 8.007 1.754 9.493 1.00 0.00 N ATOM 656 CA VAL A 49 9.427 1.788 9.167 1.00 0.00 C ATOM 657 C VAL A 49 9.645 1.804 7.658 1.00 0.00 C ATOM 658 O VAL A 49 9.111 0.975 6.920 1.00 0.00 O ATOM 659 CB VAL A 49 10.171 0.581 9.769 1.00 0.00 C ATOM 660 CG1 VAL A 49 11.636 0.598 9.361 1.00 0.00 C ATOM 661 CG2 VAL A 49 10.031 0.572 11.284 1.00 0.00 C ATOM 0 H VAL A 49 7.442 1.193 8.856 1.00 0.00 H new ATOM 0 HA VAL A 49 9.828 2.705 9.599 1.00 0.00 H new ATOM 0 HB VAL A 49 9.721 -0.332 9.379 1.00 0.00 H new ATOM 0 HG11 VAL A 49 12.145 -0.262 9.796 1.00 0.00 H new ATOM 0 HG12 VAL A 49 11.712 0.553 8.275 1.00 0.00 H new ATOM 0 HG13 VAL A 49 12.103 1.515 9.720 1.00 0.00 H new ATOM 0 HG21 VAL A 49 10.562 -0.287 11.693 1.00 0.00 H new ATOM 0 HG22 VAL A 49 10.454 1.489 11.694 1.00 0.00 H new ATOM 0 HG23 VAL A 49 8.976 0.507 11.552 1.00 0.00 H new ATOM 671 N PRO A 50 10.448 2.769 7.186 1.00 0.00 N ATOM 672 CA PRO A 50 10.756 2.915 5.760 1.00 0.00 C ATOM 673 C PRO A 50 11.641 1.788 5.239 1.00 0.00 C ATOM 674 O PRO A 50 12.772 1.612 5.694 1.00 0.00 O ATOM 675 CB PRO A 50 11.498 4.252 5.693 1.00 0.00 C ATOM 676 CG PRO A 50 12.087 4.427 7.050 1.00 0.00 C ATOM 677 CD PRO A 50 11.118 3.791 8.008 1.00 0.00 C ATOM 0 HA PRO A 50 9.858 2.878 5.143 1.00 0.00 H new ATOM 0 HB2 PRO A 50 12.271 4.238 4.925 1.00 0.00 H new ATOM 0 HB3 PRO A 50 10.820 5.069 5.447 1.00 0.00 H new ATOM 0 HG2 PRO A 50 13.067 3.953 7.114 1.00 0.00 H new ATOM 0 HG3 PRO A 50 12.228 5.483 7.281 1.00 0.00 H new ATOM 0 HD2 PRO A 50 11.630 3.348 8.862 1.00 0.00 H new ATOM 0 HD3 PRO A 50 10.408 4.518 8.403 1.00 0.00 H new ATOM 685 N LEU A 51 11.120 1.027 4.283 1.00 0.00 N ATOM 686 CA LEU A 51 11.864 -0.084 3.700 1.00 0.00 C ATOM 687 C LEU A 51 12.779 0.401 2.580 1.00 0.00 C ATOM 688 O LEU A 51 12.508 1.400 1.913 1.00 0.00 O ATOM 689 CB LEU A 51 10.900 -1.143 3.163 1.00 0.00 C ATOM 690 CG LEU A 51 9.698 -1.468 4.050 1.00 0.00 C ATOM 691 CD1 LEU A 51 8.511 -1.901 3.203 1.00 0.00 C ATOM 692 CD2 LEU A 51 10.057 -2.548 5.060 1.00 0.00 C ATOM 0 H LEU A 51 10.186 1.159 3.895 1.00 0.00 H new ATOM 0 HA LEU A 51 12.481 -0.526 4.483 1.00 0.00 H new ATOM 0 HB2 LEU A 51 10.531 -0.811 2.193 1.00 0.00 H new ATOM 0 HB3 LEU A 51 11.460 -2.063 2.993 1.00 0.00 H new ATOM 0 HG LEU A 51 9.419 -0.567 4.596 1.00 0.00 H new ATOM 0 HD11 LEU A 51 7.665 -2.128 3.851 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.239 -1.097 2.520 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.778 -2.789 2.630 1.00 0.00 H new ATOM 0 HD21 LEU A 51 9.190 -2.767 5.683 1.00 0.00 H new ATOM 0 HD22 LEU A 51 10.362 -3.452 4.533 1.00 0.00 H new ATOM 0 HD23 LEU A 51 10.877 -2.200 5.689 1.00 0.00 H new ATOM 704 N PRO A 52 13.888 -0.321 2.366 1.00 0.00 N ATOM 705 CA PRO A 52 14.865 0.015 1.326 1.00 0.00 C ATOM 706 C PRO A 52 14.321 -0.224 -0.078 1.00 0.00 C ATOM 707 O PRO A 52 14.598 -1.253 -0.696 1.00 0.00 O ATOM 708 CB PRO A 52 16.032 -0.931 1.615 1.00 0.00 C ATOM 709 CG PRO A 52 15.416 -2.088 2.323 1.00 0.00 C ATOM 710 CD PRO A 52 14.275 -1.524 3.124 1.00 0.00 C ATOM 0 HA PRO A 52 15.139 1.070 1.350 1.00 0.00 H new ATOM 0 HB2 PRO A 52 16.523 -1.246 0.694 1.00 0.00 H new ATOM 0 HB3 PRO A 52 16.790 -0.448 2.231 1.00 0.00 H new ATOM 0 HG2 PRO A 52 15.062 -2.836 1.614 1.00 0.00 H new ATOM 0 HG3 PRO A 52 16.141 -2.580 2.971 1.00 0.00 H new ATOM 0 HD2 PRO A 52 13.450 -2.232 3.202 1.00 0.00 H new ATOM 0 HD3 PRO A 52 14.581 -1.277 4.141 1.00 0.00 H new ATOM 718 N LEU A 53 13.545 0.732 -0.578 1.00 0.00 N ATOM 719 CA LEU A 53 12.962 0.626 -1.911 1.00 0.00 C ATOM 720 C LEU A 53 12.645 2.006 -2.478 1.00 0.00 C ATOM 721 O LEU A 53 12.396 2.963 -1.745 1.00 0.00 O ATOM 722 CB LEU A 53 11.692 -0.225 -1.867 1.00 0.00 C ATOM 723 CG LEU A 53 11.864 -1.664 -1.379 1.00 0.00 C ATOM 724 CD1 LEU A 53 10.512 -2.286 -1.065 1.00 0.00 C ATOM 725 CD2 LEU A 53 12.608 -2.493 -2.416 1.00 0.00 C ATOM 0 H LEU A 53 13.305 1.589 -0.080 1.00 0.00 H new ATOM 0 HA LEU A 53 13.691 0.145 -2.563 1.00 0.00 H new ATOM 0 HB2 LEU A 53 10.968 0.272 -1.221 1.00 0.00 H new ATOM 0 HB3 LEU A 53 11.261 -0.251 -2.868 1.00 0.00 H new ATOM 0 HG LEU A 53 12.455 -1.649 -0.463 1.00 0.00 H new ATOM 0 HD11 LEU A 53 10.654 -3.310 -0.719 1.00 0.00 H new ATOM 0 HD12 LEU A 53 10.016 -1.706 -0.287 1.00 0.00 H new ATOM 0 HD13 LEU A 53 9.895 -2.289 -1.964 1.00 0.00 H new ATOM 0 HD21 LEU A 53 12.722 -3.514 -2.052 1.00 0.00 H new ATOM 0 HD22 LEU A 53 12.044 -2.501 -3.349 1.00 0.00 H new ATOM 0 HD23 LEU A 53 13.592 -2.059 -2.591 1.00 0.00 H new ATOM 737 N PRO A 54 12.650 2.112 -3.815 1.00 0.00 N ATOM 738 CA PRO A 54 12.362 3.370 -4.510 1.00 0.00 C ATOM 739 C PRO A 54 10.898 3.779 -4.387 1.00 0.00 C ATOM 740 O PRO A 54 9.988 2.958 -4.503 1.00 0.00 O ATOM 741 CB PRO A 54 12.708 3.057 -5.968 1.00 0.00 C ATOM 742 CG PRO A 54 12.547 1.580 -6.087 1.00 0.00 C ATOM 743 CD PRO A 54 12.938 1.012 -4.751 1.00 0.00 C ATOM 0 HA PRO A 54 12.926 4.204 -4.093 1.00 0.00 H new ATOM 0 HB2 PRO A 54 12.045 3.584 -6.654 1.00 0.00 H new ATOM 0 HB3 PRO A 54 13.726 3.365 -6.208 1.00 0.00 H new ATOM 0 HG2 PRO A 54 11.519 1.318 -6.336 1.00 0.00 H new ATOM 0 HG3 PRO A 54 13.179 1.181 -6.881 1.00 0.00 H new ATOM 0 HD2 PRO A 54 12.362 0.118 -4.510 1.00 0.00 H new ATOM 0 HD3 PRO A 54 13.990 0.729 -4.727 1.00 0.00 H new ATOM 751 N PRO A 55 10.664 5.077 -4.145 1.00 0.00 N ATOM 752 CA PRO A 55 9.311 5.624 -4.001 1.00 0.00 C ATOM 753 C PRO A 55 8.545 5.630 -5.320 1.00 0.00 C ATOM 754 O PRO A 55 8.955 6.276 -6.284 1.00 0.00 O ATOM 755 CB PRO A 55 9.557 7.056 -3.520 1.00 0.00 C ATOM 756 CG PRO A 55 10.919 7.395 -4.020 1.00 0.00 C ATOM 757 CD PRO A 55 11.701 6.111 -3.995 1.00 0.00 C ATOM 0 HA PRO A 55 8.701 5.030 -3.320 1.00 0.00 H new ATOM 0 HB2 PRO A 55 8.808 7.741 -3.917 1.00 0.00 H new ATOM 0 HB3 PRO A 55 9.506 7.123 -2.433 1.00 0.00 H new ATOM 0 HG2 PRO A 55 10.873 7.805 -5.029 1.00 0.00 H new ATOM 0 HG3 PRO A 55 11.389 8.150 -3.390 1.00 0.00 H new ATOM 0 HD2 PRO A 55 12.430 6.069 -4.804 1.00 0.00 H new ATOM 0 HD3 PRO A 55 12.253 5.995 -3.062 1.00 0.00 H new ATOM 765 N SER A 56 7.431 4.906 -5.354 1.00 0.00 N ATOM 766 CA SER A 56 6.609 4.825 -6.556 1.00 0.00 C ATOM 767 C SER A 56 5.140 4.626 -6.197 1.00 0.00 C ATOM 768 O SER A 56 4.799 4.055 -5.161 1.00 0.00 O ATOM 769 CB SER A 56 7.087 3.679 -7.450 1.00 0.00 C ATOM 770 OG SER A 56 6.025 3.172 -8.240 1.00 0.00 O ATOM 0 H SER A 56 7.077 4.367 -4.564 1.00 0.00 H new ATOM 0 HA SER A 56 6.708 5.765 -7.098 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.891 4.029 -8.097 1.00 0.00 H new ATOM 0 HB3 SER A 56 7.499 2.880 -6.834 1.00 0.00 H new ATOM 0 HG SER A 56 5.859 2.236 -8.003 1.00 0.00 H new ATOM 776 N PRO A 57 4.246 5.108 -7.074 1.00 0.00 N ATOM 777 CA PRO A 57 2.799 4.995 -6.872 1.00 0.00 C ATOM 778 C PRO A 57 2.305 3.559 -7.009 1.00 0.00 C ATOM 779 O PRO A 57 1.106 3.294 -6.921 1.00 0.00 O ATOM 780 CB PRO A 57 2.217 5.869 -7.986 1.00 0.00 C ATOM 781 CG PRO A 57 3.262 5.877 -9.047 1.00 0.00 C ATOM 782 CD PRO A 57 4.581 5.800 -8.330 1.00 0.00 C ATOM 0 HA PRO A 57 2.502 5.303 -5.870 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.277 5.461 -8.359 1.00 0.00 H new ATOM 0 HB3 PRO A 57 2.007 6.877 -7.629 1.00 0.00 H new ATOM 0 HG2 PRO A 57 3.136 5.033 -9.725 1.00 0.00 H new ATOM 0 HG3 PRO A 57 3.198 6.782 -9.651 1.00 0.00 H new ATOM 0 HD2 PRO A 57 5.321 5.247 -8.908 1.00 0.00 H new ATOM 0 HD3 PRO A 57 4.996 6.791 -8.145 1.00 0.00 H new ATOM 790 N VAL A 58 3.236 2.636 -7.225 1.00 0.00 N ATOM 791 CA VAL A 58 2.895 1.226 -7.372 1.00 0.00 C ATOM 792 C VAL A 58 4.016 0.332 -6.854 1.00 0.00 C ATOM 793 O VAL A 58 5.168 0.458 -7.271 1.00 0.00 O ATOM 794 CB VAL A 58 2.606 0.869 -8.842 1.00 0.00 C ATOM 795 CG1 VAL A 58 3.702 1.408 -9.748 1.00 0.00 C ATOM 796 CG2 VAL A 58 2.460 -0.637 -9.005 1.00 0.00 C ATOM 0 H VAL A 58 4.233 2.839 -7.302 1.00 0.00 H new ATOM 0 HA VAL A 58 1.996 1.055 -6.781 1.00 0.00 H new ATOM 0 HB VAL A 58 1.665 1.336 -9.133 1.00 0.00 H new ATOM 0 HG11 VAL A 58 3.480 1.146 -10.783 1.00 0.00 H new ATOM 0 HG12 VAL A 58 3.753 2.492 -9.651 1.00 0.00 H new ATOM 0 HG13 VAL A 58 4.659 0.972 -9.460 1.00 0.00 H new ATOM 0 HG21 VAL A 58 2.256 -0.872 -10.050 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.383 -1.128 -8.696 1.00 0.00 H new ATOM 0 HG23 VAL A 58 1.636 -0.992 -8.386 1.00 0.00 H new ATOM 806 N LEU A 59 3.672 -0.572 -5.943 1.00 0.00 N ATOM 807 CA LEU A 59 4.650 -1.489 -5.368 1.00 0.00 C ATOM 808 C LEU A 59 4.275 -2.938 -5.659 1.00 0.00 C ATOM 809 O LEU A 59 3.219 -3.413 -5.238 1.00 0.00 O ATOM 810 CB LEU A 59 4.756 -1.271 -3.858 1.00 0.00 C ATOM 811 CG LEU A 59 5.099 -2.506 -3.024 1.00 0.00 C ATOM 812 CD1 LEU A 59 6.469 -3.044 -3.406 1.00 0.00 C ATOM 813 CD2 LEU A 59 5.049 -2.177 -1.539 1.00 0.00 C ATOM 0 H LEU A 59 2.723 -0.690 -5.587 1.00 0.00 H new ATOM 0 HA LEU A 59 5.617 -1.284 -5.827 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.515 -0.510 -3.673 1.00 0.00 H new ATOM 0 HB3 LEU A 59 3.808 -0.869 -3.502 1.00 0.00 H new ATOM 0 HG LEU A 59 4.357 -3.278 -3.230 1.00 0.00 H new ATOM 0 HD11 LEU A 59 6.696 -3.923 -2.802 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.471 -3.318 -4.461 1.00 0.00 H new ATOM 0 HD13 LEU A 59 7.223 -2.277 -3.229 1.00 0.00 H new ATOM 0 HD21 LEU A 59 5.296 -3.067 -0.961 1.00 0.00 H new ATOM 0 HD22 LEU A 59 5.768 -1.389 -1.317 1.00 0.00 H new ATOM 0 HD23 LEU A 59 4.047 -1.839 -1.275 1.00 0.00 H new ATOM 825 N ILE A 60 5.146 -3.636 -6.380 1.00 0.00 N ATOM 826 CA ILE A 60 4.907 -5.032 -6.724 1.00 0.00 C ATOM 827 C ILE A 60 5.812 -5.959 -5.920 1.00 0.00 C ATOM 828 O ILE A 60 7.038 -5.895 -6.028 1.00 0.00 O ATOM 829 CB ILE A 60 5.132 -5.289 -8.226 1.00 0.00 C ATOM 830 CG1 ILE A 60 4.298 -4.316 -9.062 1.00 0.00 C ATOM 831 CG2 ILE A 60 4.785 -6.728 -8.575 1.00 0.00 C ATOM 832 CD1 ILE A 60 4.926 -2.947 -9.202 1.00 0.00 C ATOM 0 H ILE A 60 6.023 -3.258 -6.737 1.00 0.00 H new ATOM 0 HA ILE A 60 3.866 -5.243 -6.480 1.00 0.00 H new ATOM 0 HB ILE A 60 6.185 -5.125 -8.454 1.00 0.00 H new ATOM 0 HG12 ILE A 60 4.146 -4.740 -10.054 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.313 -4.210 -8.607 1.00 0.00 H new ATOM 0 HG21 ILE A 60 4.949 -6.894 -9.640 1.00 0.00 H new ATOM 0 HG22 ILE A 60 5.418 -7.404 -8.001 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.739 -6.918 -8.335 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.280 -2.310 -9.807 1.00 0.00 H new ATOM 0 HD12 ILE A 60 5.053 -2.502 -8.215 1.00 0.00 H new ATOM 0 HD13 ILE A 60 5.898 -3.041 -9.685 1.00 0.00 H new ATOM 844 N LEU A 61 5.201 -6.822 -5.115 1.00 0.00 N ATOM 845 CA LEU A 61 5.952 -7.765 -4.294 1.00 0.00 C ATOM 846 C LEU A 61 5.829 -9.183 -4.842 1.00 0.00 C ATOM 847 O LEU A 61 5.073 -10.009 -4.330 1.00 0.00 O ATOM 848 CB LEU A 61 5.455 -7.720 -2.848 1.00 0.00 C ATOM 849 CG LEU A 61 6.224 -6.797 -1.902 1.00 0.00 C ATOM 850 CD1 LEU A 61 5.384 -6.467 -0.678 1.00 0.00 C ATOM 851 CD2 LEU A 61 7.543 -7.434 -1.490 1.00 0.00 C ATOM 0 H LEU A 61 4.188 -6.888 -5.014 1.00 0.00 H new ATOM 0 HA LEU A 61 7.002 -7.475 -4.320 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.410 -7.412 -2.854 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.487 -8.731 -2.442 1.00 0.00 H new ATOM 0 HG LEU A 61 6.441 -5.868 -2.429 1.00 0.00 H new ATOM 0 HD11 LEU A 61 5.948 -5.809 -0.016 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.467 -5.968 -0.990 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.135 -7.387 -0.149 1.00 0.00 H new ATOM 0 HD21 LEU A 61 8.077 -6.763 -0.817 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.348 -8.378 -0.982 1.00 0.00 H new ATOM 0 HD23 LEU A 61 8.151 -7.618 -2.376 1.00 0.00 H new ATOM 863 N PRO A 62 6.590 -9.474 -5.907 1.00 0.00 N ATOM 864 CA PRO A 62 6.586 -10.794 -6.546 1.00 0.00 C ATOM 865 C PRO A 62 7.229 -11.864 -5.671 1.00 0.00 C ATOM 866 O PRO A 62 8.225 -11.609 -4.994 1.00 0.00 O ATOM 867 CB PRO A 62 7.411 -10.575 -7.817 1.00 0.00 C ATOM 868 CG PRO A 62 8.300 -9.423 -7.498 1.00 0.00 C ATOM 869 CD PRO A 62 7.515 -8.538 -6.569 1.00 0.00 C ATOM 0 HA PRO A 62 5.574 -11.152 -6.735 1.00 0.00 H new ATOM 0 HB2 PRO A 62 7.990 -11.463 -8.071 1.00 0.00 H new ATOM 0 HB3 PRO A 62 6.771 -10.356 -8.672 1.00 0.00 H new ATOM 0 HG2 PRO A 62 9.223 -9.761 -7.027 1.00 0.00 H new ATOM 0 HG3 PRO A 62 8.582 -8.886 -8.403 1.00 0.00 H new ATOM 0 HD2 PRO A 62 8.162 -8.036 -5.850 1.00 0.00 H new ATOM 0 HD3 PRO A 62 6.979 -7.760 -7.112 1.00 0.00 H new ATOM 877 N GLU A 63 6.654 -13.062 -5.691 1.00 0.00 N ATOM 878 CA GLU A 63 7.172 -14.171 -4.897 1.00 0.00 C ATOM 879 C GLU A 63 7.174 -13.823 -3.412 1.00 0.00 C ATOM 880 O GLU A 63 8.206 -13.904 -2.745 1.00 0.00 O ATOM 881 CB GLU A 63 8.589 -14.531 -5.349 1.00 0.00 C ATOM 882 CG GLU A 63 8.628 -15.423 -6.579 1.00 0.00 C ATOM 883 CD GLU A 63 10.041 -15.773 -7.002 1.00 0.00 C ATOM 884 OE1 GLU A 63 10.687 -16.583 -6.305 1.00 0.00 O ATOM 885 OE2 GLU A 63 10.501 -15.235 -8.032 1.00 0.00 O ATOM 0 H GLU A 63 5.830 -13.290 -6.248 1.00 0.00 H new ATOM 0 HA GLU A 63 6.519 -15.030 -5.050 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.138 -13.613 -5.559 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.106 -15.032 -4.531 1.00 0.00 H new ATOM 0 HG2 GLU A 63 8.076 -16.341 -6.375 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.120 -14.922 -7.403 1.00 0.00 H new ATOM 892 N ILE A 64 6.010 -13.435 -2.900 1.00 0.00 N ATOM 893 CA ILE A 64 5.877 -13.075 -1.494 1.00 0.00 C ATOM 894 C ILE A 64 6.018 -14.300 -0.597 1.00 0.00 C ATOM 895 O ILE A 64 5.732 -15.423 -1.013 1.00 0.00 O ATOM 896 CB ILE A 64 4.522 -12.399 -1.212 1.00 0.00 C ATOM 897 CG1 ILE A 64 4.625 -10.889 -1.434 1.00 0.00 C ATOM 898 CG2 ILE A 64 4.065 -12.702 0.207 1.00 0.00 C ATOM 899 CD1 ILE A 64 3.296 -10.230 -1.729 1.00 0.00 C ATOM 0 H ILE A 64 5.146 -13.362 -3.438 1.00 0.00 H new ATOM 0 HA ILE A 64 6.679 -12.371 -1.271 1.00 0.00 H new ATOM 0 HB ILE A 64 3.781 -12.799 -1.905 1.00 0.00 H new ATOM 0 HG12 ILE A 64 5.061 -10.428 -0.547 1.00 0.00 H new ATOM 0 HG13 ILE A 64 5.308 -10.697 -2.261 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.106 -12.218 0.392 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.957 -13.779 0.332 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.804 -12.326 0.915 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.445 -9.160 -1.875 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.867 -10.664 -2.633 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.617 -10.391 -0.892 1.00 0.00 H new ATOM 911 N GLY A 65 6.459 -14.076 0.637 1.00 0.00 N ATOM 912 CA GLY A 65 6.628 -15.171 1.574 1.00 0.00 C ATOM 913 C GLY A 65 6.140 -14.823 2.967 1.00 0.00 C ATOM 914 O GLY A 65 5.355 -13.895 3.159 1.00 0.00 O ATOM 0 H GLY A 65 6.702 -13.156 1.004 1.00 0.00 H new ATOM 0 HA2 GLY A 65 6.086 -16.044 1.210 1.00 0.00 H new ATOM 0 HA3 GLY A 65 7.682 -15.447 1.620 1.00 0.00 H new ATOM 918 N PRO A 66 6.610 -15.581 3.969 1.00 0.00 N ATOM 919 CA PRO A 66 6.229 -15.367 5.368 1.00 0.00 C ATOM 920 C PRO A 66 6.813 -14.079 5.938 1.00 0.00 C ATOM 921 O PRO A 66 6.247 -13.482 6.853 1.00 0.00 O ATOM 922 CB PRO A 66 6.818 -16.584 6.086 1.00 0.00 C ATOM 923 CG PRO A 66 7.955 -17.017 5.227 1.00 0.00 C ATOM 924 CD PRO A 66 7.549 -16.704 3.813 1.00 0.00 C ATOM 0 HA PRO A 66 5.150 -15.266 5.485 1.00 0.00 H new ATOM 0 HB2 PRO A 66 7.156 -16.326 7.090 1.00 0.00 H new ATOM 0 HB3 PRO A 66 6.078 -17.377 6.193 1.00 0.00 H new ATOM 0 HG2 PRO A 66 8.870 -16.490 5.496 1.00 0.00 H new ATOM 0 HG3 PRO A 66 8.153 -18.082 5.349 1.00 0.00 H new ATOM 0 HD2 PRO A 66 8.407 -16.428 3.200 1.00 0.00 H new ATOM 0 HD3 PRO A 66 7.076 -17.560 3.332 1.00 0.00 H new ATOM 932 N GLN A 67 7.949 -13.657 5.391 1.00 0.00 N ATOM 933 CA GLN A 67 8.609 -12.439 5.846 1.00 0.00 C ATOM 934 C GLN A 67 7.845 -11.202 5.386 1.00 0.00 C ATOM 935 O GLN A 67 7.844 -10.174 6.063 1.00 0.00 O ATOM 936 CB GLN A 67 10.047 -12.388 5.326 1.00 0.00 C ATOM 937 CG GLN A 67 10.143 -12.339 3.809 1.00 0.00 C ATOM 938 CD GLN A 67 11.557 -12.085 3.323 1.00 0.00 C ATOM 939 OE1 GLN A 67 12.517 -12.199 4.084 1.00 0.00 O ATOM 940 NE2 GLN A 67 11.691 -11.740 2.048 1.00 0.00 N ATOM 0 H GLN A 67 8.431 -14.140 4.633 1.00 0.00 H new ATOM 0 HA GLN A 67 8.625 -12.450 6.936 1.00 0.00 H new ATOM 0 HB2 GLN A 67 10.544 -11.512 5.742 1.00 0.00 H new ATOM 0 HB3 GLN A 67 10.587 -13.263 5.688 1.00 0.00 H new ATOM 0 HG2 GLN A 67 9.784 -13.281 3.395 1.00 0.00 H new ATOM 0 HG3 GLN A 67 9.487 -11.555 3.432 1.00 0.00 H new ATOM 0 HE21 GLN A 67 10.867 -11.657 1.453 1.00 0.00 H new ATOM 0 HE22 GLN A 67 12.618 -11.558 1.664 1.00 0.00 H new ATOM 949 N ASP A 68 7.197 -11.308 4.231 1.00 0.00 N ATOM 950 CA ASP A 68 6.429 -10.197 3.681 1.00 0.00 C ATOM 951 C ASP A 68 5.283 -9.814 4.613 1.00 0.00 C ATOM 952 O ASP A 68 4.952 -8.637 4.753 1.00 0.00 O ATOM 953 CB ASP A 68 5.879 -10.563 2.301 1.00 0.00 C ATOM 954 CG ASP A 68 5.495 -9.343 1.489 1.00 0.00 C ATOM 955 OD1 ASP A 68 4.370 -8.834 1.679 1.00 0.00 O ATOM 956 OD2 ASP A 68 6.318 -8.896 0.662 1.00 0.00 O ATOM 0 H ASP A 68 7.188 -12.152 3.658 1.00 0.00 H new ATOM 0 HA ASP A 68 7.096 -9.340 3.583 1.00 0.00 H new ATOM 0 HB2 ASP A 68 6.627 -11.138 1.756 1.00 0.00 H new ATOM 0 HB3 ASP A 68 5.007 -11.206 2.420 1.00 0.00 H new ATOM 961 N GLN A 69 4.682 -10.816 5.247 1.00 0.00 N ATOM 962 CA GLN A 69 3.573 -10.584 6.164 1.00 0.00 C ATOM 963 C GLN A 69 3.827 -9.351 7.024 1.00 0.00 C ATOM 964 O GLN A 69 4.947 -9.117 7.476 1.00 0.00 O ATOM 965 CB GLN A 69 3.356 -11.807 7.056 1.00 0.00 C ATOM 966 CG GLN A 69 2.663 -12.961 6.349 1.00 0.00 C ATOM 967 CD GLN A 69 2.202 -14.041 7.308 1.00 0.00 C ATOM 968 OE1 GLN A 69 1.017 -14.140 7.626 1.00 0.00 O ATOM 969 NE2 GLN A 69 3.140 -14.858 7.774 1.00 0.00 N ATOM 0 H GLN A 69 4.945 -11.796 5.142 1.00 0.00 H new ATOM 0 HA GLN A 69 2.675 -10.412 5.571 1.00 0.00 H new ATOM 0 HB2 GLN A 69 4.321 -12.148 7.431 1.00 0.00 H new ATOM 0 HB3 GLN A 69 2.763 -11.514 7.922 1.00 0.00 H new ATOM 0 HG2 GLN A 69 1.804 -12.580 5.797 1.00 0.00 H new ATOM 0 HG3 GLN A 69 3.345 -13.396 5.618 1.00 0.00 H new ATOM 0 HE21 GLN A 69 4.110 -14.739 7.483 1.00 0.00 H new ATOM 0 HE22 GLN A 69 2.890 -15.604 8.423 1.00 0.00 H new ATOM 978 N GLY A 70 2.779 -8.564 7.247 1.00 0.00 N ATOM 979 CA GLY A 70 2.910 -7.364 8.053 1.00 0.00 C ATOM 980 C GLY A 70 2.046 -6.227 7.543 1.00 0.00 C ATOM 981 O GLY A 70 1.252 -6.405 6.620 1.00 0.00 O ATOM 0 H GLY A 70 1.841 -8.736 6.884 1.00 0.00 H new ATOM 0 HA2 GLY A 70 2.636 -7.590 9.084 1.00 0.00 H new ATOM 0 HA3 GLY A 70 3.953 -7.048 8.062 1.00 0.00 H new ATOM 985 N THR A 71 2.200 -5.053 8.148 1.00 0.00 N ATOM 986 CA THR A 71 1.427 -3.882 7.752 1.00 0.00 C ATOM 987 C THR A 71 2.139 -3.098 6.656 1.00 0.00 C ATOM 988 O THR A 71 3.363 -2.962 6.671 1.00 0.00 O ATOM 989 CB THR A 71 1.167 -2.949 8.950 1.00 0.00 C ATOM 990 OG1 THR A 71 2.309 -2.932 9.814 1.00 0.00 O ATOM 991 CG2 THR A 71 -0.059 -3.399 9.730 1.00 0.00 C ATOM 0 H THR A 71 2.853 -4.888 8.914 1.00 0.00 H new ATOM 0 HA THR A 71 0.473 -4.247 7.372 1.00 0.00 H new ATOM 0 HB THR A 71 0.986 -1.944 8.568 1.00 0.00 H new ATOM 0 HG1 THR A 71 2.137 -2.335 10.572 1.00 0.00 H new ATOM 0 HG21 THR A 71 -0.223 -2.725 10.571 1.00 0.00 H new ATOM 0 HG22 THR A 71 -0.932 -3.383 9.077 1.00 0.00 H new ATOM 0 HG23 THR A 71 0.098 -4.412 10.102 1.00 0.00 H new ATOM 999 N TYR A 72 1.366 -2.582 5.707 1.00 0.00 N ATOM 1000 CA TYR A 72 1.924 -1.812 4.602 1.00 0.00 C ATOM 1001 C TYR A 72 1.143 -0.518 4.391 1.00 0.00 C ATOM 1002 O TYR A 72 -0.077 -0.535 4.234 1.00 0.00 O ATOM 1003 CB TYR A 72 1.914 -2.642 3.317 1.00 0.00 C ATOM 1004 CG TYR A 72 3.066 -3.616 3.216 1.00 0.00 C ATOM 1005 CD1 TYR A 72 3.050 -4.816 3.917 1.00 0.00 C ATOM 1006 CD2 TYR A 72 4.169 -3.337 2.420 1.00 0.00 C ATOM 1007 CE1 TYR A 72 4.101 -5.708 3.828 1.00 0.00 C ATOM 1008 CE2 TYR A 72 5.224 -4.224 2.324 1.00 0.00 C ATOM 1009 CZ TYR A 72 5.186 -5.408 3.030 1.00 0.00 C ATOM 1010 OH TYR A 72 6.234 -6.295 2.938 1.00 0.00 O ATOM 0 H TYR A 72 0.351 -2.683 5.681 1.00 0.00 H new ATOM 0 HA TYR A 72 2.954 -1.557 4.854 1.00 0.00 H new ATOM 0 HB2 TYR A 72 0.976 -3.194 3.259 1.00 0.00 H new ATOM 0 HB3 TYR A 72 1.942 -1.969 2.460 1.00 0.00 H new ATOM 0 HD1 TYR A 72 2.202 -5.055 4.542 1.00 0.00 H new ATOM 0 HD2 TYR A 72 4.203 -2.410 1.866 1.00 0.00 H new ATOM 0 HE1 TYR A 72 4.074 -6.636 4.380 1.00 0.00 H new ATOM 0 HE2 TYR A 72 6.074 -3.991 1.699 1.00 0.00 H new ATOM 0 HH TYR A 72 6.017 -7.111 3.435 1.00 0.00 H new ATOM 1020 N SER A 73 1.858 0.603 4.388 1.00 0.00 N ATOM 1021 CA SER A 73 1.233 1.907 4.199 1.00 0.00 C ATOM 1022 C SER A 73 2.067 2.779 3.265 1.00 0.00 C ATOM 1023 O SER A 73 3.295 2.695 3.250 1.00 0.00 O ATOM 1024 CB SER A 73 1.054 2.610 5.546 1.00 0.00 C ATOM 1025 OG SER A 73 0.658 3.959 5.369 1.00 0.00 O ATOM 0 H SER A 73 2.870 0.634 4.514 1.00 0.00 H new ATOM 0 HA SER A 73 0.254 1.751 3.745 1.00 0.00 H new ATOM 0 HB2 SER A 73 0.306 2.083 6.138 1.00 0.00 H new ATOM 0 HB3 SER A 73 1.988 2.573 6.106 1.00 0.00 H new ATOM 0 HG SER A 73 -0.270 4.069 5.664 1.00 0.00 H new ATOM 1031 N CYS A 74 1.390 3.615 2.486 1.00 0.00 N ATOM 1032 CA CYS A 74 2.065 4.503 1.547 1.00 0.00 C ATOM 1033 C CYS A 74 2.130 5.926 2.095 1.00 0.00 C ATOM 1034 O CYS A 74 1.252 6.356 2.842 1.00 0.00 O ATOM 1035 CB CYS A 74 1.345 4.497 0.198 1.00 0.00 C ATOM 1036 SG CYS A 74 1.601 6.006 -0.789 1.00 0.00 S ATOM 0 H CYS A 74 0.373 3.696 2.486 1.00 0.00 H new ATOM 0 HA CYS A 74 3.083 4.138 1.409 1.00 0.00 H new ATOM 0 HB2 CYS A 74 1.684 3.637 -0.379 1.00 0.00 H new ATOM 0 HB3 CYS A 74 0.277 4.365 0.369 1.00 0.00 H new ATOM 1041 N VAL A 75 3.177 6.653 1.717 1.00 0.00 N ATOM 1042 CA VAL A 75 3.357 8.027 2.168 1.00 0.00 C ATOM 1043 C VAL A 75 3.602 8.965 0.991 1.00 0.00 C ATOM 1044 O VAL A 75 4.562 8.796 0.240 1.00 0.00 O ATOM 1045 CB VAL A 75 4.532 8.144 3.157 1.00 0.00 C ATOM 1046 CG1 VAL A 75 4.640 9.564 3.692 1.00 0.00 C ATOM 1047 CG2 VAL A 75 4.371 7.148 4.295 1.00 0.00 C ATOM 0 H VAL A 75 3.914 6.312 1.099 1.00 0.00 H new ATOM 0 HA VAL A 75 2.436 8.317 2.674 1.00 0.00 H new ATOM 0 HB VAL A 75 5.455 7.910 2.627 1.00 0.00 H new ATOM 0 HG11 VAL A 75 5.476 9.628 4.389 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.805 10.253 2.864 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.717 9.830 4.207 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.210 7.244 4.984 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.440 7.349 4.826 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.347 6.136 3.892 1.00 0.00 H new ATOM 1057 N ALA A 76 2.728 9.954 0.837 1.00 0.00 N ATOM 1058 CA ALA A 76 2.851 10.920 -0.248 1.00 0.00 C ATOM 1059 C ALA A 76 3.278 12.286 0.280 1.00 0.00 C ATOM 1060 O ALA A 76 3.467 12.467 1.483 1.00 0.00 O ATOM 1061 CB ALA A 76 1.537 11.032 -1.006 1.00 0.00 C ATOM 0 H ALA A 76 1.927 10.107 1.450 1.00 0.00 H new ATOM 0 HA ALA A 76 3.623 10.566 -0.932 1.00 0.00 H new ATOM 0 HB1 ALA A 76 1.643 11.757 -1.813 1.00 0.00 H new ATOM 0 HB2 ALA A 76 1.274 10.060 -1.423 1.00 0.00 H new ATOM 0 HB3 ALA A 76 0.751 11.360 -0.325 1.00 0.00 H new ATOM 1067 N THR A 77 3.429 13.245 -0.628 1.00 0.00 N ATOM 1068 CA THR A 77 3.835 14.594 -0.254 1.00 0.00 C ATOM 1069 C THR A 77 3.802 15.531 -1.456 1.00 0.00 C ATOM 1070 O THR A 77 4.524 15.330 -2.433 1.00 0.00 O ATOM 1071 CB THR A 77 5.251 14.606 0.353 1.00 0.00 C ATOM 1072 OG1 THR A 77 5.791 15.931 0.308 1.00 0.00 O ATOM 1073 CG2 THR A 77 6.169 13.653 -0.396 1.00 0.00 C ATOM 0 H THR A 77 3.276 13.112 -1.628 1.00 0.00 H new ATOM 0 HA THR A 77 3.123 14.942 0.495 1.00 0.00 H new ATOM 0 HB THR A 77 5.181 14.277 1.390 1.00 0.00 H new ATOM 0 HG1 THR A 77 6.691 15.931 0.697 1.00 0.00 H new ATOM 0 HG21 THR A 77 7.163 13.679 0.051 1.00 0.00 H new ATOM 0 HG22 THR A 77 5.770 12.640 -0.335 1.00 0.00 H new ATOM 0 HG23 THR A 77 6.233 13.956 -1.441 1.00 0.00 H new ATOM 1081 N HIS A 78 2.959 16.556 -1.378 1.00 0.00 N ATOM 1082 CA HIS A 78 2.833 17.526 -2.460 1.00 0.00 C ATOM 1083 C HIS A 78 2.653 18.937 -1.907 1.00 0.00 C ATOM 1084 O HIS A 78 2.211 19.117 -0.773 1.00 0.00 O ATOM 1085 CB HIS A 78 1.652 17.165 -3.362 1.00 0.00 C ATOM 1086 CG HIS A 78 0.555 16.436 -2.649 1.00 0.00 C ATOM 1087 ND1 HIS A 78 0.146 16.494 -1.361 1.00 0.00 N flip ATOM 1088 CD2 HIS A 78 -0.264 15.516 -3.269 1.00 0.00 C flip ATOM 1089 CE1 HIS A 78 -0.904 15.618 -1.227 1.00 0.00 C flip ATOM 1090 NE2 HIS A 78 -1.132 15.042 -2.394 1.00 0.00 N flip ATOM 0 H HIS A 78 2.353 16.736 -0.577 1.00 0.00 H new ATOM 0 HA HIS A 78 3.751 17.499 -3.047 1.00 0.00 H new ATOM 0 HB2 HIS A 78 1.247 18.078 -3.799 1.00 0.00 H new ATOM 0 HB3 HIS A 78 2.010 16.549 -4.187 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -0.205 15.228 -4.308 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -1.453 15.431 -0.316 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -1.855 14.349 -2.586 1.00 0.00 H new ATOM 1099 N SER A 79 2.999 19.933 -2.716 1.00 0.00 N ATOM 1100 CA SER A 79 2.880 21.327 -2.306 1.00 0.00 C ATOM 1101 C SER A 79 1.605 21.549 -1.499 1.00 0.00 C ATOM 1102 O SER A 79 1.609 22.258 -0.493 1.00 0.00 O ATOM 1103 CB SER A 79 2.888 22.243 -3.531 1.00 0.00 C ATOM 1104 OG SER A 79 2.911 23.607 -3.148 1.00 0.00 O ATOM 0 H SER A 79 3.364 19.800 -3.659 1.00 0.00 H new ATOM 0 HA SER A 79 3.735 21.569 -1.675 1.00 0.00 H new ATOM 0 HB2 SER A 79 3.758 22.021 -4.149 1.00 0.00 H new ATOM 0 HB3 SER A 79 2.006 22.048 -4.140 1.00 0.00 H new ATOM 0 HG SER A 79 2.917 24.172 -3.949 1.00 0.00 H new ATOM 1110 N SER A 80 0.514 20.937 -1.948 1.00 0.00 N ATOM 1111 CA SER A 80 -0.771 21.070 -1.271 1.00 0.00 C ATOM 1112 C SER A 80 -0.641 20.730 0.211 1.00 0.00 C ATOM 1113 O SER A 80 -0.900 21.567 1.076 1.00 0.00 O ATOM 1114 CB SER A 80 -1.812 20.160 -1.925 1.00 0.00 C ATOM 1115 OG SER A 80 -3.083 20.322 -1.319 1.00 0.00 O ATOM 0 H SER A 80 0.494 20.344 -2.778 1.00 0.00 H new ATOM 0 HA SER A 80 -1.097 22.106 -1.362 1.00 0.00 H new ATOM 0 HB2 SER A 80 -1.881 20.387 -2.989 1.00 0.00 H new ATOM 0 HB3 SER A 80 -1.495 19.120 -1.841 1.00 0.00 H new ATOM 0 HG SER A 80 -3.731 19.731 -1.756 1.00 0.00 H new ATOM 1121 N HIS A 81 -0.238 19.496 0.496 1.00 0.00 N ATOM 1122 CA HIS A 81 -0.073 19.045 1.873 1.00 0.00 C ATOM 1123 C HIS A 81 1.273 18.351 2.060 1.00 0.00 C ATOM 1124 O HIS A 81 1.794 17.726 1.137 1.00 0.00 O ATOM 1125 CB HIS A 81 -1.208 18.096 2.260 1.00 0.00 C ATOM 1126 CG HIS A 81 -2.482 18.798 2.615 1.00 0.00 C ATOM 1127 ND1 HIS A 81 -3.102 19.853 2.036 1.00 0.00 N flip ATOM 1128 CD2 HIS A 81 -3.271 18.431 3.684 1.00 0.00 C flip ATOM 1129 CE1 HIS A 81 -4.243 20.101 2.758 1.00 0.00 C flip ATOM 1130 NE2 HIS A 81 -4.323 19.228 3.747 1.00 0.00 N flip ATOM 0 H HIS A 81 -0.020 18.791 -0.208 1.00 0.00 H new ATOM 0 HA HIS A 81 -0.104 19.920 2.522 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -1.398 17.413 1.432 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -0.889 17.489 3.107 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -3.062 17.619 4.364 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -4.959 20.883 2.551 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -5.069 19.178 4.440 1.00 0.00 H new ATOM 1139 N GLY A 82 1.831 18.466 3.261 1.00 0.00 N ATOM 1140 CA GLY A 82 3.112 17.845 3.547 1.00 0.00 C ATOM 1141 C GLY A 82 3.086 16.343 3.345 1.00 0.00 C ATOM 1142 O GLY A 82 2.360 15.821 2.498 1.00 0.00 O ATOM 0 H GLY A 82 1.419 18.978 4.041 1.00 0.00 H new ATOM 0 HA2 GLY A 82 3.876 18.282 2.904 1.00 0.00 H new ATOM 0 HA3 GLY A 82 3.398 18.065 4.576 1.00 0.00 H new ATOM 1146 N PRO A 83 3.894 15.622 4.136 1.00 0.00 N ATOM 1147 CA PRO A 83 3.980 14.161 4.059 1.00 0.00 C ATOM 1148 C PRO A 83 2.714 13.478 4.565 1.00 0.00 C ATOM 1149 O PRO A 83 2.557 13.254 5.765 1.00 0.00 O ATOM 1150 CB PRO A 83 5.167 13.827 4.966 1.00 0.00 C ATOM 1151 CG PRO A 83 5.240 14.963 5.928 1.00 0.00 C ATOM 1152 CD PRO A 83 4.786 16.178 5.168 1.00 0.00 C ATOM 0 HA PRO A 83 4.099 13.813 3.033 1.00 0.00 H new ATOM 0 HB2 PRO A 83 5.016 12.879 5.483 1.00 0.00 H new ATOM 0 HB3 PRO A 83 6.089 13.734 4.393 1.00 0.00 H new ATOM 0 HG2 PRO A 83 4.602 14.783 6.794 1.00 0.00 H new ATOM 0 HG3 PRO A 83 6.256 15.093 6.302 1.00 0.00 H new ATOM 0 HD2 PRO A 83 4.263 16.883 5.814 1.00 0.00 H new ATOM 0 HD3 PRO A 83 5.627 16.713 4.726 1.00 0.00 H new ATOM 1160 N GLN A 84 1.814 13.151 3.643 1.00 0.00 N ATOM 1161 CA GLN A 84 0.562 12.494 3.997 1.00 0.00 C ATOM 1162 C GLN A 84 0.718 10.977 3.974 1.00 0.00 C ATOM 1163 O GLN A 84 1.462 10.433 3.160 1.00 0.00 O ATOM 1164 CB GLN A 84 -0.551 12.918 3.037 1.00 0.00 C ATOM 1165 CG GLN A 84 -1.947 12.757 3.615 1.00 0.00 C ATOM 1166 CD GLN A 84 -2.198 13.670 4.799 1.00 0.00 C ATOM 1167 OE1 GLN A 84 -2.268 14.891 4.653 1.00 0.00 O ATOM 1168 NE2 GLN A 84 -2.335 13.082 5.982 1.00 0.00 N ATOM 0 H GLN A 84 1.929 13.330 2.646 1.00 0.00 H new ATOM 0 HA GLN A 84 0.295 12.799 5.009 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -0.401 13.961 2.758 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -0.475 12.329 2.123 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -2.684 12.964 2.839 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -2.091 11.721 3.923 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -2.270 12.067 6.058 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -2.505 13.646 6.815 1.00 0.00 H new ATOM 1177 N GLU A 85 0.010 10.300 4.874 1.00 0.00 N ATOM 1178 CA GLU A 85 0.072 8.846 4.957 1.00 0.00 C ATOM 1179 C GLU A 85 -1.315 8.232 4.787 1.00 0.00 C ATOM 1180 O GLU A 85 -2.327 8.865 5.088 1.00 0.00 O ATOM 1181 CB GLU A 85 0.673 8.414 6.296 1.00 0.00 C ATOM 1182 CG GLU A 85 1.038 6.940 6.352 1.00 0.00 C ATOM 1183 CD GLU A 85 1.957 6.611 7.512 1.00 0.00 C ATOM 1184 OE1 GLU A 85 2.572 7.546 8.066 1.00 0.00 O ATOM 1185 OE2 GLU A 85 2.061 5.418 7.866 1.00 0.00 O ATOM 0 H GLU A 85 -0.612 10.735 5.555 1.00 0.00 H new ATOM 0 HA GLU A 85 0.710 8.488 4.149 1.00 0.00 H new ATOM 0 HB2 GLU A 85 1.565 9.008 6.493 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -0.039 8.634 7.092 1.00 0.00 H new ATOM 0 HG2 GLU A 85 0.127 6.347 6.435 1.00 0.00 H new ATOM 0 HG3 GLU A 85 1.521 6.653 5.418 1.00 0.00 H new ATOM 1192 N SER A 86 -1.353 6.995 4.303 1.00 0.00 N ATOM 1193 CA SER A 86 -2.615 6.296 4.089 1.00 0.00 C ATOM 1194 C SER A 86 -2.865 5.276 5.196 1.00 0.00 C ATOM 1195 O SER A 86 -2.035 5.093 6.086 1.00 0.00 O ATOM 1196 CB SER A 86 -2.611 5.598 2.728 1.00 0.00 C ATOM 1197 OG SER A 86 -1.847 4.405 2.768 1.00 0.00 O ATOM 0 H SER A 86 -0.524 6.456 4.052 1.00 0.00 H new ATOM 0 HA SER A 86 -3.418 7.032 4.109 1.00 0.00 H new ATOM 0 HB2 SER A 86 -3.634 5.368 2.431 1.00 0.00 H new ATOM 0 HB3 SER A 86 -2.203 6.270 1.973 1.00 0.00 H new ATOM 0 HG SER A 86 -1.728 4.062 1.858 1.00 0.00 H new ATOM 1203 N ARG A 87 -4.017 4.615 5.132 1.00 0.00 N ATOM 1204 CA ARG A 87 -4.379 3.614 6.129 1.00 0.00 C ATOM 1205 C ARG A 87 -3.316 2.522 6.213 1.00 0.00 C ATOM 1206 O ARG A 87 -2.333 2.541 5.474 1.00 0.00 O ATOM 1207 CB ARG A 87 -5.736 2.995 5.792 1.00 0.00 C ATOM 1208 CG ARG A 87 -6.913 3.735 6.408 1.00 0.00 C ATOM 1209 CD ARG A 87 -7.157 3.294 7.843 1.00 0.00 C ATOM 1210 NE ARG A 87 -7.975 2.086 7.913 1.00 0.00 N ATOM 1211 CZ ARG A 87 -8.653 1.719 8.995 1.00 0.00 C ATOM 1212 NH1 ARG A 87 -8.611 2.464 10.091 1.00 0.00 N ATOM 1213 NH2 ARG A 87 -9.374 0.606 8.981 1.00 0.00 N ATOM 0 H ARG A 87 -4.715 4.754 4.401 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.444 4.109 7.098 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -5.857 2.974 4.709 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -5.749 1.960 6.134 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -6.723 4.808 6.383 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -7.809 3.556 5.813 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -6.201 3.113 8.334 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -7.650 4.098 8.390 1.00 0.00 H new ATOM 0 HE ARG A 87 -8.029 1.492 7.086 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -8.057 3.321 10.104 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -9.132 2.181 10.921 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -9.408 0.031 8.139 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -9.894 0.325 9.812 1.00 0.00 H new ATOM 1227 N ALA A 88 -3.523 1.572 7.119 1.00 0.00 N ATOM 1228 CA ALA A 88 -2.585 0.471 7.299 1.00 0.00 C ATOM 1229 C ALA A 88 -3.219 -0.860 6.910 1.00 0.00 C ATOM 1230 O ALA A 88 -4.182 -1.307 7.534 1.00 0.00 O ATOM 1231 CB ALA A 88 -2.096 0.424 8.739 1.00 0.00 C ATOM 0 H ALA A 88 -4.332 1.543 7.740 1.00 0.00 H new ATOM 0 HA ALA A 88 -1.732 0.643 6.643 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -1.396 -0.403 8.859 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -1.596 1.361 8.984 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -2.945 0.280 9.407 1.00 0.00 H new ATOM 1237 N VAL A 89 -2.673 -1.490 5.875 1.00 0.00 N ATOM 1238 CA VAL A 89 -3.186 -2.771 5.403 1.00 0.00 C ATOM 1239 C VAL A 89 -2.344 -3.928 5.930 1.00 0.00 C ATOM 1240 O VAL A 89 -1.116 -3.902 5.848 1.00 0.00 O ATOM 1241 CB VAL A 89 -3.215 -2.831 3.864 1.00 0.00 C ATOM 1242 CG1 VAL A 89 -1.861 -2.444 3.288 1.00 0.00 C ATOM 1243 CG2 VAL A 89 -3.627 -4.218 3.393 1.00 0.00 C ATOM 0 H VAL A 89 -1.876 -1.135 5.347 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.204 -2.864 5.782 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.954 -2.115 3.504 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.901 -2.492 2.200 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.611 -1.429 3.597 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.100 -3.133 3.654 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -3.642 -4.243 2.303 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.914 -4.955 3.763 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.621 -4.452 3.775 1.00 0.00 H new ATOM 1253 N SER A 90 -3.013 -4.941 6.469 1.00 0.00 N ATOM 1254 CA SER A 90 -2.326 -6.107 7.013 1.00 0.00 C ATOM 1255 C SER A 90 -2.222 -7.213 5.967 1.00 0.00 C ATOM 1256 O SER A 90 -3.206 -7.887 5.661 1.00 0.00 O ATOM 1257 CB SER A 90 -3.060 -6.627 8.250 1.00 0.00 C ATOM 1258 OG SER A 90 -4.403 -6.962 7.943 1.00 0.00 O ATOM 0 H SER A 90 -4.030 -4.979 6.541 1.00 0.00 H new ATOM 0 HA SER A 90 -1.318 -5.804 7.298 1.00 0.00 H new ATOM 0 HB2 SER A 90 -2.544 -7.503 8.641 1.00 0.00 H new ATOM 0 HB3 SER A 90 -3.041 -5.869 9.033 1.00 0.00 H new ATOM 0 HG SER A 90 -4.445 -7.359 7.048 1.00 0.00 H new ATOM 1264 N ILE A 91 -1.023 -7.394 5.424 1.00 0.00 N ATOM 1265 CA ILE A 91 -0.790 -8.419 4.414 1.00 0.00 C ATOM 1266 C ILE A 91 -0.467 -9.763 5.058 1.00 0.00 C ATOM 1267 O ILE A 91 0.550 -9.910 5.735 1.00 0.00 O ATOM 1268 CB ILE A 91 0.362 -8.026 3.469 1.00 0.00 C ATOM 1269 CG1 ILE A 91 0.038 -6.713 2.754 1.00 0.00 C ATOM 1270 CG2 ILE A 91 0.622 -9.135 2.461 1.00 0.00 C ATOM 1271 CD1 ILE A 91 -1.287 -6.733 2.024 1.00 0.00 C ATOM 0 H ILE A 91 -0.198 -6.845 5.666 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.710 -8.507 3.836 1.00 0.00 H new ATOM 0 HB ILE A 91 1.266 -7.882 4.061 1.00 0.00 H new ATOM 0 HG12 ILE A 91 0.029 -5.904 3.484 1.00 0.00 H new ATOM 0 HG13 ILE A 91 0.833 -6.491 2.042 1.00 0.00 H new ATOM 0 HG21 ILE A 91 1.438 -8.842 1.801 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.892 -10.050 2.988 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -0.278 -9.308 1.871 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -1.451 -5.770 1.541 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.275 -7.520 1.270 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.091 -6.924 2.735 1.00 0.00 H new ATOM 1283 N SER A 92 -1.341 -10.741 4.841 1.00 0.00 N ATOM 1284 CA SER A 92 -1.151 -12.074 5.402 1.00 0.00 C ATOM 1285 C SER A 92 -1.146 -13.131 4.302 1.00 0.00 C ATOM 1286 O SER A 92 -1.582 -12.875 3.179 1.00 0.00 O ATOM 1287 CB SER A 92 -2.251 -12.384 6.419 1.00 0.00 C ATOM 1288 OG SER A 92 -1.862 -13.434 7.287 1.00 0.00 O ATOM 0 H SER A 92 -2.187 -10.636 4.281 1.00 0.00 H new ATOM 0 HA SER A 92 -0.185 -12.095 5.906 1.00 0.00 H new ATOM 0 HB2 SER A 92 -2.474 -11.490 7.002 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.167 -12.661 5.896 1.00 0.00 H new ATOM 0 HG SER A 92 -0.888 -13.536 7.261 1.00 0.00 H new ATOM 1294 N ILE A 93 -0.650 -14.318 4.633 1.00 0.00 N ATOM 1295 CA ILE A 93 -0.589 -15.414 3.675 1.00 0.00 C ATOM 1296 C ILE A 93 -1.832 -16.293 3.766 1.00 0.00 C ATOM 1297 O ILE A 93 -2.236 -16.703 4.854 1.00 0.00 O ATOM 1298 CB ILE A 93 0.661 -16.287 3.896 1.00 0.00 C ATOM 1299 CG1 ILE A 93 1.931 -15.462 3.679 1.00 0.00 C ATOM 1300 CG2 ILE A 93 0.638 -17.490 2.965 1.00 0.00 C ATOM 1301 CD1 ILE A 93 3.201 -16.207 4.022 1.00 0.00 C ATOM 0 H ILE A 93 -0.284 -14.545 5.558 1.00 0.00 H new ATOM 0 HA ILE A 93 -0.537 -14.964 2.684 1.00 0.00 H new ATOM 0 HB ILE A 93 0.657 -16.648 4.924 1.00 0.00 H new ATOM 0 HG12 ILE A 93 1.975 -15.145 2.637 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.875 -14.558 4.285 1.00 0.00 H new ATOM 0 HG21 ILE A 93 1.528 -18.097 3.133 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -0.252 -18.087 3.164 1.00 0.00 H new ATOM 0 HG23 ILE A 93 0.622 -17.149 1.930 1.00 0.00 H new ATOM 0 HD11 ILE A 93 4.061 -15.561 3.844 1.00 0.00 H new ATOM 0 HD12 ILE A 93 3.179 -16.500 5.072 1.00 0.00 H new ATOM 0 HD13 ILE A 93 3.280 -17.097 3.398 1.00 0.00 H new ATOM 1313 N ILE A 94 -2.432 -16.580 2.615 1.00 0.00 N ATOM 1314 CA ILE A 94 -3.627 -17.414 2.565 1.00 0.00 C ATOM 1315 C ILE A 94 -3.263 -18.891 2.458 1.00 0.00 C ATOM 1316 O ILE A 94 -2.306 -19.256 1.776 1.00 0.00 O ATOM 1317 CB ILE A 94 -4.530 -17.032 1.377 1.00 0.00 C ATOM 1318 CG1 ILE A 94 -4.899 -15.549 1.445 1.00 0.00 C ATOM 1319 CG2 ILE A 94 -5.782 -17.895 1.365 1.00 0.00 C ATOM 1320 CD1 ILE A 94 -5.590 -15.040 0.200 1.00 0.00 C ATOM 0 H ILE A 94 -2.111 -16.248 1.706 1.00 0.00 H new ATOM 0 HA ILE A 94 -4.170 -17.243 3.494 1.00 0.00 H new ATOM 0 HB ILE A 94 -3.982 -17.208 0.451 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -5.549 -15.384 2.304 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -3.994 -14.965 1.613 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -6.410 -17.613 0.520 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -5.500 -18.944 1.274 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -6.335 -17.747 2.293 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -5.822 -13.982 0.319 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -4.934 -15.173 -0.660 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -6.513 -15.598 0.042 1.00 0.00 H new ATOM 1332 N GLU A 95 -4.034 -19.735 3.136 1.00 0.00 N ATOM 1333 CA GLU A 95 -3.793 -21.173 3.116 1.00 0.00 C ATOM 1334 C GLU A 95 -4.556 -21.837 1.973 1.00 0.00 C ATOM 1335 O GLU A 95 -5.707 -21.507 1.688 1.00 0.00 O ATOM 1336 CB GLU A 95 -4.203 -21.800 4.450 1.00 0.00 C ATOM 1337 CG GLU A 95 -3.094 -21.801 5.489 1.00 0.00 C ATOM 1338 CD GLU A 95 -3.480 -22.544 6.753 1.00 0.00 C ATOM 1339 OE1 GLU A 95 -3.550 -23.790 6.711 1.00 0.00 O ATOM 1340 OE2 GLU A 95 -3.711 -21.879 7.785 1.00 0.00 O ATOM 0 H GLU A 95 -4.830 -19.448 3.705 1.00 0.00 H new ATOM 0 HA GLU A 95 -2.726 -21.334 2.960 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -5.061 -21.258 4.848 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -4.527 -22.826 4.275 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -2.201 -22.258 5.062 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -2.836 -20.772 5.741 1.00 0.00 H new ATOM 1347 N PRO A 96 -3.900 -22.795 1.302 1.00 0.00 N ATOM 1348 CA PRO A 96 -4.496 -23.526 0.180 1.00 0.00 C ATOM 1349 C PRO A 96 -5.611 -24.465 0.627 1.00 0.00 C ATOM 1350 O PRO A 96 -6.512 -24.787 -0.147 1.00 0.00 O ATOM 1351 CB PRO A 96 -3.320 -24.324 -0.389 1.00 0.00 C ATOM 1352 CG PRO A 96 -2.382 -24.485 0.757 1.00 0.00 C ATOM 1353 CD PRO A 96 -2.525 -23.240 1.588 1.00 0.00 C ATOM 0 HA PRO A 96 -4.962 -22.855 -0.542 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -3.646 -25.291 -0.772 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -2.847 -23.796 -1.217 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -2.627 -25.373 1.340 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -1.356 -24.605 0.408 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -2.382 -23.446 2.649 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -1.792 -22.484 1.308 1.00 0.00 H new TER 1361 PRO A 96