USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 661 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 44 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 114 SER OG : rot 80:sc= 0.124 USER MOD Set 2.1: A 18 SER OG : rot 70:sc= 0.344 USER MOD Set 2.2: A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot -59:sc= 0.0886 USER MOD Single : A 36 SER OG : rot 70:sc= 0.268 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0.72 K(o=0.72,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 57:sc= 0.0074 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot -23:sc= -0.0555 USER MOD Single : A 79 ASN : amide:sc= 0.623 K(o=0.62,f=0) USER MOD Single : A 87 GLN : amide:sc= -0.362 X(o=-0.36,f=-0.58) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= 0.524 K(o=0.52,f=0) USER MOD Single : A 96 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 ASN : amide:sc= -0.304 X(o=-0.3,f=-0.085) USER MOD Single : A 101 SER OG : rot 180:sc= 0.076 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 109 ASN : amide:sc= -0.109 X(o=-0.11,f=-0.56) USER MOD Single : A 117 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 31 N SER A 4 10.711 -9.840 -5.720 1.00 0.00 N ATOM 32 CA SER A 4 9.851 -8.644 -5.800 1.00 0.00 C ATOM 33 C SER A 4 8.684 -8.811 -6.772 1.00 0.00 C ATOM 34 O SER A 4 7.579 -8.369 -6.472 1.00 0.00 O ATOM 35 CB SER A 4 10.646 -7.411 -6.242 1.00 0.00 C ATOM 36 OG SER A 4 11.463 -6.936 -5.193 1.00 0.00 O ATOM 0 HA SER A 4 9.459 -8.510 -4.792 1.00 0.00 H new ATOM 0 HB2 SER A 4 11.264 -7.661 -7.105 1.00 0.00 H new ATOM 0 HB3 SER A 4 9.960 -6.625 -6.559 1.00 0.00 H new ATOM 0 HG SER A 4 11.963 -6.150 -5.498 1.00 0.00 H new ATOM 41 N SER A 5 8.899 -9.482 -7.908 1.00 0.00 N ATOM 42 CA SER A 5 7.833 -9.787 -8.872 1.00 0.00 C ATOM 43 C SER A 5 6.784 -10.743 -8.290 1.00 0.00 C ATOM 44 O SER A 5 5.592 -10.556 -8.511 1.00 0.00 O ATOM 45 CB SER A 5 8.432 -10.382 -10.151 1.00 0.00 C ATOM 46 OG SER A 5 7.455 -10.423 -11.179 1.00 0.00 O ATOM 0 H SER A 5 9.817 -9.830 -8.187 1.00 0.00 H new ATOM 0 HA SER A 5 7.329 -8.850 -9.106 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.285 -9.784 -10.474 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.804 -11.387 -9.953 1.00 0.00 H new ATOM 0 HG SER A 5 7.850 -10.804 -11.991 1.00 0.00 H new ATOM 51 N ALA A 6 7.200 -11.732 -7.490 1.00 0.00 N ATOM 52 CA ALA A 6 6.294 -12.663 -6.817 1.00 0.00 C ATOM 53 C ALA A 6 5.519 -11.993 -5.668 1.00 0.00 C ATOM 54 O ALA A 6 4.310 -12.189 -5.528 1.00 0.00 O ATOM 55 CB ALA A 6 7.110 -13.850 -6.312 1.00 0.00 C ATOM 0 H ALA A 6 8.185 -11.908 -7.291 1.00 0.00 H new ATOM 0 HA ALA A 6 5.543 -13.003 -7.530 1.00 0.00 H new ATOM 0 HB1 ALA A 6 6.451 -14.556 -5.807 1.00 0.00 H new ATOM 0 HB2 ALA A 6 7.593 -14.344 -7.155 1.00 0.00 H new ATOM 0 HB3 ALA A 6 7.869 -13.499 -5.613 1.00 0.00 H new ATOM 61 N PHE A 7 6.198 -11.151 -4.885 1.00 0.00 N ATOM 62 CA PHE A 7 5.584 -10.305 -3.863 1.00 0.00 C ATOM 63 C PHE A 7 4.530 -9.387 -4.492 1.00 0.00 C ATOM 64 O PHE A 7 3.367 -9.386 -4.091 1.00 0.00 O ATOM 65 CB PHE A 7 6.692 -9.498 -3.177 1.00 0.00 C ATOM 66 CG PHE A 7 6.283 -8.905 -1.850 1.00 0.00 C ATOM 67 CD1 PHE A 7 6.451 -9.664 -0.680 1.00 0.00 C ATOM 68 CD2 PHE A 7 5.746 -7.608 -1.768 1.00 0.00 C ATOM 69 CE1 PHE A 7 6.092 -9.138 0.567 1.00 0.00 C ATOM 70 CE2 PHE A 7 5.398 -7.076 -0.517 1.00 0.00 C ATOM 71 CZ PHE A 7 5.567 -7.844 0.650 1.00 0.00 C ATOM 0 H PHE A 7 7.210 -11.037 -4.946 1.00 0.00 H new ATOM 0 HA PHE A 7 5.073 -10.918 -3.121 1.00 0.00 H new ATOM 0 HB2 PHE A 7 7.557 -10.143 -3.025 1.00 0.00 H new ATOM 0 HB3 PHE A 7 7.007 -8.694 -3.842 1.00 0.00 H new ATOM 0 HD1 PHE A 7 6.860 -10.661 -0.743 1.00 0.00 H new ATOM 0 HD2 PHE A 7 5.602 -7.023 -2.665 1.00 0.00 H new ATOM 0 HE1 PHE A 7 6.220 -9.729 1.462 1.00 0.00 H new ATOM 0 HE2 PHE A 7 4.999 -6.075 -0.450 1.00 0.00 H new ATOM 0 HZ PHE A 7 5.291 -7.434 1.610 1.00 0.00 H new ATOM 80 N ALA A 8 4.911 -8.677 -5.555 1.00 0.00 N ATOM 81 CA ALA A 8 4.013 -7.859 -6.353 1.00 0.00 C ATOM 82 C ALA A 8 2.932 -8.666 -7.094 1.00 0.00 C ATOM 83 O ALA A 8 1.898 -8.092 -7.395 1.00 0.00 O ATOM 84 CB ALA A 8 4.833 -6.978 -7.303 1.00 0.00 C ATOM 0 H ALA A 8 5.875 -8.658 -5.888 1.00 0.00 H new ATOM 0 HA ALA A 8 3.454 -7.222 -5.667 1.00 0.00 H new ATOM 0 HB1 ALA A 8 4.160 -6.364 -7.902 1.00 0.00 H new ATOM 0 HB2 ALA A 8 5.493 -6.333 -6.723 1.00 0.00 H new ATOM 0 HB3 ALA A 8 5.430 -7.610 -7.961 1.00 0.00 H new ATOM 90 N GLN A 9 3.098 -9.968 -7.353 1.00 0.00 N ATOM 91 CA GLN A 9 2.069 -10.831 -7.956 1.00 0.00 C ATOM 92 C GLN A 9 0.951 -11.185 -6.971 1.00 0.00 C ATOM 93 O GLN A 9 -0.219 -10.989 -7.294 1.00 0.00 O ATOM 94 CB GLN A 9 2.691 -12.130 -8.502 1.00 0.00 C ATOM 95 CG GLN A 9 3.080 -12.040 -9.982 1.00 0.00 C ATOM 96 CD GLN A 9 1.872 -12.253 -10.893 1.00 0.00 C ATOM 97 OE1 GLN A 9 1.072 -11.358 -11.140 1.00 0.00 O ATOM 98 NE2 GLN A 9 1.675 -13.447 -11.413 1.00 0.00 N ATOM 0 H GLN A 9 3.966 -10.463 -7.147 1.00 0.00 H new ATOM 0 HA GLN A 9 1.632 -10.259 -8.774 1.00 0.00 H new ATOM 0 HB2 GLN A 9 3.576 -12.376 -7.915 1.00 0.00 H new ATOM 0 HB3 GLN A 9 1.983 -12.948 -8.369 1.00 0.00 H new ATOM 0 HG2 GLN A 9 3.522 -11.064 -10.184 1.00 0.00 H new ATOM 0 HG3 GLN A 9 3.841 -12.787 -10.205 1.00 0.00 H new ATOM 0 HE21 GLN A 9 2.331 -14.203 -11.218 1.00 0.00 H new ATOM 0 HE22 GLN A 9 0.866 -13.616 -12.011 1.00 0.00 H new ATOM 105 N ALA A 10 1.273 -11.668 -5.766 1.00 0.00 N ATOM 106 CA ALA A 10 0.248 -11.933 -4.749 1.00 0.00 C ATOM 107 C ALA A 10 -0.391 -10.632 -4.252 1.00 0.00 C ATOM 108 O ALA A 10 -1.613 -10.556 -4.101 1.00 0.00 O ATOM 109 CB ALA A 10 0.867 -12.682 -3.580 1.00 0.00 C ATOM 0 H ALA A 10 2.226 -11.882 -5.472 1.00 0.00 H new ATOM 0 HA ALA A 10 -0.533 -12.542 -5.204 1.00 0.00 H new ATOM 0 HB1 ALA A 10 0.103 -12.877 -2.827 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.280 -13.628 -3.931 1.00 0.00 H new ATOM 0 HB3 ALA A 10 1.663 -12.079 -3.142 1.00 0.00 H new ATOM 115 N ALA A 11 0.428 -9.590 -4.066 1.00 0.00 N ATOM 116 CA ALA A 11 -0.069 -8.260 -3.784 1.00 0.00 C ATOM 117 C ALA A 11 -0.975 -7.757 -4.917 1.00 0.00 C ATOM 118 O ALA A 11 -2.080 -7.329 -4.628 1.00 0.00 O ATOM 119 CB ALA A 11 1.090 -7.300 -3.498 1.00 0.00 C ATOM 0 H ALA A 11 1.445 -9.655 -4.109 1.00 0.00 H new ATOM 0 HA ALA A 11 -0.684 -8.303 -2.885 1.00 0.00 H new ATOM 0 HB1 ALA A 11 0.696 -6.306 -3.288 1.00 0.00 H new ATOM 0 HB2 ALA A 11 1.653 -7.656 -2.635 1.00 0.00 H new ATOM 0 HB3 ALA A 11 1.747 -7.254 -4.366 1.00 0.00 H new ATOM 125 N SER A 12 -0.582 -7.878 -6.189 1.00 0.00 N ATOM 126 CA SER A 12 -1.423 -7.530 -7.345 1.00 0.00 C ATOM 127 C SER A 12 -2.740 -8.304 -7.348 1.00 0.00 C ATOM 128 O SER A 12 -3.789 -7.683 -7.452 1.00 0.00 O ATOM 129 CB SER A 12 -0.682 -7.751 -8.672 1.00 0.00 C ATOM 130 OG SER A 12 -1.525 -7.528 -9.792 1.00 0.00 O ATOM 0 H SER A 12 0.341 -8.225 -6.451 1.00 0.00 H new ATOM 0 HA SER A 12 -1.653 -6.469 -7.249 1.00 0.00 H new ATOM 0 HB2 SER A 12 0.176 -7.081 -8.725 1.00 0.00 H new ATOM 0 HB3 SER A 12 -0.294 -8.769 -8.706 1.00 0.00 H new ATOM 0 HG SER A 12 -1.018 -7.677 -10.618 1.00 0.00 H new ATOM 135 N SER A 13 -2.727 -9.629 -7.160 1.00 0.00 N ATOM 136 CA SER A 13 -3.956 -10.440 -7.142 1.00 0.00 C ATOM 137 C SER A 13 -4.919 -10.012 -6.026 1.00 0.00 C ATOM 138 O SER A 13 -6.130 -9.914 -6.247 1.00 0.00 O ATOM 139 CB SER A 13 -3.622 -11.932 -7.005 1.00 0.00 C ATOM 140 OG SER A 13 -4.525 -12.697 -7.787 1.00 0.00 O ATOM 0 H SER A 13 -1.873 -10.168 -7.017 1.00 0.00 H new ATOM 0 HA SER A 13 -4.459 -10.271 -8.094 1.00 0.00 H new ATOM 0 HB2 SER A 13 -2.598 -12.117 -7.329 1.00 0.00 H new ATOM 0 HB3 SER A 13 -3.685 -12.234 -5.960 1.00 0.00 H new ATOM 0 HG SER A 13 -4.309 -13.649 -7.699 1.00 0.00 H new ATOM 145 N SER A 14 -4.383 -9.685 -4.845 1.00 0.00 N ATOM 146 CA SER A 14 -5.145 -9.109 -3.733 1.00 0.00 C ATOM 147 C SER A 14 -5.640 -7.688 -4.055 1.00 0.00 C ATOM 148 O SER A 14 -6.839 -7.442 -4.079 1.00 0.00 O ATOM 149 CB SER A 14 -4.289 -9.150 -2.464 1.00 0.00 C ATOM 150 OG SER A 14 -5.010 -8.633 -1.358 1.00 0.00 O ATOM 0 H SER A 14 -3.394 -9.815 -4.632 1.00 0.00 H new ATOM 0 HA SER A 14 -6.042 -9.706 -3.568 1.00 0.00 H new ATOM 0 HB2 SER A 14 -3.983 -10.176 -2.258 1.00 0.00 H new ATOM 0 HB3 SER A 14 -3.378 -8.570 -2.614 1.00 0.00 H new ATOM 0 HG SER A 14 -4.448 -8.669 -0.556 1.00 0.00 H new ATOM 155 N LEU A 15 -4.755 -6.757 -4.419 1.00 0.00 N ATOM 156 CA LEU A 15 -5.064 -5.355 -4.734 1.00 0.00 C ATOM 157 C LEU A 15 -6.026 -5.198 -5.937 1.00 0.00 C ATOM 158 O LEU A 15 -6.830 -4.266 -5.964 1.00 0.00 O ATOM 159 CB LEU A 15 -3.742 -4.580 -4.935 1.00 0.00 C ATOM 160 CG LEU A 15 -2.870 -4.491 -3.656 1.00 0.00 C ATOM 161 CD1 LEU A 15 -1.387 -4.197 -3.911 1.00 0.00 C ATOM 162 CD2 LEU A 15 -3.386 -3.450 -2.668 1.00 0.00 C ATOM 0 H LEU A 15 -3.760 -6.966 -4.507 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.605 -4.927 -3.890 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.165 -5.062 -5.724 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.971 -3.571 -5.278 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.952 -5.493 -3.235 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.856 -4.153 -2.960 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.960 -4.987 -4.529 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.289 -3.241 -4.426 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.739 -3.429 -1.791 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.387 -2.468 -3.142 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.401 -3.708 -2.364 1.00 0.00 H new ATOM 173 N ALA A 16 -6.001 -6.132 -6.892 1.00 0.00 N ATOM 174 CA ALA A 16 -6.933 -6.243 -8.017 1.00 0.00 C ATOM 175 C ALA A 16 -8.351 -6.706 -7.611 1.00 0.00 C ATOM 176 O ALA A 16 -9.309 -6.426 -8.338 1.00 0.00 O ATOM 177 CB ALA A 16 -6.341 -7.212 -9.053 1.00 0.00 C ATOM 0 H ALA A 16 -5.295 -6.868 -6.902 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.055 -5.243 -8.434 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -7.025 -7.305 -9.897 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.382 -6.829 -9.403 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -6.196 -8.190 -8.595 1.00 0.00 H new ATOM 183 N THR A 17 -8.507 -7.379 -6.461 1.00 0.00 N ATOM 184 CA THR A 17 -9.816 -7.776 -5.897 1.00 0.00 C ATOM 185 C THR A 17 -10.260 -6.881 -4.727 1.00 0.00 C ATOM 186 O THR A 17 -11.453 -6.779 -4.434 1.00 0.00 O ATOM 187 CB THR A 17 -9.844 -9.276 -5.531 1.00 0.00 C ATOM 188 OG1 THR A 17 -11.181 -9.719 -5.438 1.00 0.00 O ATOM 189 CG2 THR A 17 -9.154 -9.668 -4.222 1.00 0.00 C ATOM 0 H THR A 17 -7.718 -7.670 -5.884 1.00 0.00 H new ATOM 0 HA THR A 17 -10.554 -7.621 -6.684 1.00 0.00 H new ATOM 0 HB THR A 17 -9.281 -9.748 -6.336 1.00 0.00 H new ATOM 0 HG1 THR A 17 -11.195 -10.671 -5.207 1.00 0.00 H new ATOM 0 HG21 THR A 17 -9.240 -10.744 -4.074 1.00 0.00 H new ATOM 0 HG22 THR A 17 -8.101 -9.391 -4.269 1.00 0.00 H new ATOM 0 HG23 THR A 17 -9.629 -9.148 -3.390 1.00 0.00 H new ATOM 197 N SER A 18 -9.322 -6.166 -4.095 1.00 0.00 N ATOM 198 CA SER A 18 -9.543 -5.154 -3.054 1.00 0.00 C ATOM 199 C SER A 18 -10.278 -3.922 -3.590 1.00 0.00 C ATOM 200 O SER A 18 -9.679 -2.876 -3.848 1.00 0.00 O ATOM 201 CB SER A 18 -8.222 -4.726 -2.400 1.00 0.00 C ATOM 202 OG SER A 18 -7.644 -5.795 -1.676 1.00 0.00 O ATOM 0 H SER A 18 -8.332 -6.285 -4.308 1.00 0.00 H new ATOM 0 HA SER A 18 -10.176 -5.623 -2.301 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.527 -4.384 -3.167 1.00 0.00 H new ATOM 0 HB3 SER A 18 -8.399 -3.884 -1.732 1.00 0.00 H new ATOM 0 HG SER A 18 -7.322 -6.477 -2.301 1.00 0.00 H new ATOM 207 N SER A 19 -11.599 -4.023 -3.734 1.00 0.00 N ATOM 208 CA SER A 19 -12.455 -2.893 -4.107 1.00 0.00 C ATOM 209 C SER A 19 -12.244 -1.682 -3.187 1.00 0.00 C ATOM 210 O SER A 19 -12.184 -0.562 -3.678 1.00 0.00 O ATOM 211 CB SER A 19 -13.921 -3.328 -4.139 1.00 0.00 C ATOM 212 OG SER A 19 -14.726 -2.320 -4.726 1.00 0.00 O ATOM 0 H SER A 19 -12.110 -4.895 -3.595 1.00 0.00 H new ATOM 0 HA SER A 19 -12.170 -2.572 -5.109 1.00 0.00 H new ATOM 0 HB2 SER A 19 -14.019 -4.255 -4.704 1.00 0.00 H new ATOM 0 HB3 SER A 19 -14.267 -3.534 -3.126 1.00 0.00 H new ATOM 0 HG SER A 19 -15.661 -2.615 -4.740 1.00 0.00 H new ATOM 217 N ALA A 20 -11.992 -1.878 -1.886 1.00 0.00 N ATOM 218 CA ALA A 20 -11.641 -0.797 -0.954 1.00 0.00 C ATOM 219 C ALA A 20 -10.405 0.022 -1.383 1.00 0.00 C ATOM 220 O ALA A 20 -10.399 1.246 -1.248 1.00 0.00 O ATOM 221 CB ALA A 20 -11.439 -1.396 0.444 1.00 0.00 C ATOM 0 H ALA A 20 -12.026 -2.798 -1.447 1.00 0.00 H new ATOM 0 HA ALA A 20 -12.468 -0.087 -0.953 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -11.178 -0.603 1.145 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -12.360 -1.879 0.769 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -10.635 -2.131 0.412 1.00 0.00 H new ATOM 227 N ILE A 21 -9.378 -0.630 -1.943 1.00 0.00 N ATOM 228 CA ILE A 21 -8.182 0.023 -2.503 1.00 0.00 C ATOM 229 C ILE A 21 -8.558 0.790 -3.773 1.00 0.00 C ATOM 230 O ILE A 21 -8.200 1.957 -3.917 1.00 0.00 O ATOM 231 CB ILE A 21 -7.079 -1.022 -2.803 1.00 0.00 C ATOM 232 CG1 ILE A 21 -6.627 -1.760 -1.523 1.00 0.00 C ATOM 233 CG2 ILE A 21 -5.883 -0.405 -3.545 1.00 0.00 C ATOM 234 CD1 ILE A 21 -5.530 -1.060 -0.722 1.00 0.00 C ATOM 0 H ILE A 21 -9.352 -1.647 -2.022 1.00 0.00 H new ATOM 0 HA ILE A 21 -7.788 0.726 -1.769 1.00 0.00 H new ATOM 0 HB ILE A 21 -7.522 -1.762 -3.470 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -7.494 -1.899 -0.877 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -6.274 -2.753 -1.801 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -5.135 -1.175 -3.734 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -6.220 0.014 -4.493 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -5.444 0.385 -2.935 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -5.283 -1.657 0.156 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -4.642 -0.945 -1.344 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -5.881 -0.078 -0.406 1.00 0.00 H new ATOM 245 N SER A 22 -9.323 0.160 -4.671 1.00 0.00 N ATOM 246 CA SER A 22 -9.805 0.798 -5.901 1.00 0.00 C ATOM 247 C SER A 22 -10.660 2.037 -5.621 1.00 0.00 C ATOM 248 O SER A 22 -10.420 3.095 -6.201 1.00 0.00 O ATOM 249 CB SER A 22 -10.552 -0.211 -6.779 1.00 0.00 C ATOM 250 OG SER A 22 -10.863 0.373 -8.033 1.00 0.00 O ATOM 0 H SER A 22 -9.626 -0.808 -4.565 1.00 0.00 H new ATOM 0 HA SER A 22 -8.929 1.145 -6.448 1.00 0.00 H new ATOM 0 HB2 SER A 22 -9.940 -1.101 -6.925 1.00 0.00 H new ATOM 0 HB3 SER A 22 -11.467 -0.531 -6.281 1.00 0.00 H new ATOM 0 HG SER A 22 -11.339 -0.279 -8.589 1.00 0.00 H new ATOM 255 N ARG A 23 -11.596 1.953 -4.670 1.00 0.00 N ATOM 256 CA ARG A 23 -12.431 3.075 -4.228 1.00 0.00 C ATOM 257 C ARG A 23 -11.623 4.159 -3.520 1.00 0.00 C ATOM 258 O ARG A 23 -11.848 5.326 -3.816 1.00 0.00 O ATOM 259 CB ARG A 23 -13.597 2.590 -3.352 1.00 0.00 C ATOM 260 CG ARG A 23 -14.557 1.650 -4.112 1.00 0.00 C ATOM 261 CD ARG A 23 -16.024 1.871 -3.733 1.00 0.00 C ATOM 262 NE ARG A 23 -16.559 3.096 -4.359 1.00 0.00 N ATOM 263 CZ ARG A 23 -17.783 3.577 -4.233 1.00 0.00 C ATOM 264 NH1 ARG A 23 -18.669 3.019 -3.456 1.00 0.00 N ATOM 265 NH2 ARG A 23 -18.143 4.637 -4.898 1.00 0.00 N ATOM 0 H ARG A 23 -11.799 1.084 -4.175 1.00 0.00 H new ATOM 0 HA ARG A 23 -12.848 3.529 -5.127 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -13.200 2.071 -2.480 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -14.154 3.452 -2.984 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -14.436 1.804 -5.184 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -14.285 0.615 -3.905 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -16.616 1.011 -4.046 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -16.115 1.944 -2.649 1.00 0.00 H new ATOM 0 HE ARG A 23 -15.918 3.626 -4.950 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -18.426 2.185 -2.922 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -19.605 3.417 -3.382 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -17.479 5.099 -5.519 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -19.089 5.005 -4.798 1.00 0.00 H new ATOM 276 N ALA A 24 -10.656 3.817 -2.664 1.00 0.00 N ATOM 277 CA ALA A 24 -9.754 4.799 -2.052 1.00 0.00 C ATOM 278 C ALA A 24 -8.932 5.567 -3.110 1.00 0.00 C ATOM 279 O ALA A 24 -8.886 6.799 -3.092 1.00 0.00 O ATOM 280 CB ALA A 24 -8.857 4.093 -1.026 1.00 0.00 C ATOM 0 H ALA A 24 -10.476 2.855 -2.376 1.00 0.00 H new ATOM 0 HA ALA A 24 -10.351 5.551 -1.536 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -8.185 4.820 -0.569 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -9.477 3.636 -0.254 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -8.271 3.321 -1.525 1.00 0.00 H new ATOM 286 N PHE A 25 -8.349 4.861 -4.083 1.00 0.00 N ATOM 287 CA PHE A 25 -7.599 5.467 -5.188 1.00 0.00 C ATOM 288 C PHE A 25 -8.468 6.227 -6.208 1.00 0.00 C ATOM 289 O PHE A 25 -7.995 7.194 -6.802 1.00 0.00 O ATOM 290 CB PHE A 25 -6.777 4.389 -5.904 1.00 0.00 C ATOM 291 CG PHE A 25 -5.471 3.984 -5.227 1.00 0.00 C ATOM 292 CD1 PHE A 25 -4.556 4.956 -4.771 1.00 0.00 C ATOM 293 CD2 PHE A 25 -5.121 2.624 -5.143 1.00 0.00 C ATOM 294 CE1 PHE A 25 -3.332 4.568 -4.198 1.00 0.00 C ATOM 295 CE2 PHE A 25 -3.887 2.236 -4.590 1.00 0.00 C ATOM 296 CZ PHE A 25 -2.994 3.207 -4.109 1.00 0.00 C ATOM 0 H PHE A 25 -8.385 3.843 -4.127 1.00 0.00 H new ATOM 0 HA PHE A 25 -6.950 6.217 -4.736 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -7.398 3.500 -6.013 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -6.548 4.743 -6.909 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -4.797 6.005 -4.863 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -5.805 1.872 -5.506 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -2.650 5.318 -3.825 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -3.626 1.189 -4.535 1.00 0.00 H new ATOM 0 HZ PHE A 25 -2.052 2.909 -3.673 1.00 0.00 H new ATOM 305 N ALA A 26 -9.727 5.834 -6.418 1.00 0.00 N ATOM 306 CA ALA A 26 -10.681 6.581 -7.245 1.00 0.00 C ATOM 307 C ALA A 26 -11.325 7.773 -6.497 1.00 0.00 C ATOM 308 O ALA A 26 -11.784 8.726 -7.132 1.00 0.00 O ATOM 309 CB ALA A 26 -11.741 5.605 -7.769 1.00 0.00 C ATOM 0 H ALA A 26 -10.117 4.982 -6.016 1.00 0.00 H new ATOM 0 HA ALA A 26 -10.140 7.026 -8.080 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -12.459 6.145 -8.386 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.259 4.830 -8.366 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -12.259 5.145 -6.928 1.00 0.00 H new ATOM 315 N SER A 27 -11.345 7.743 -5.158 1.00 0.00 N ATOM 316 CA SER A 27 -11.781 8.850 -4.291 1.00 0.00 C ATOM 317 C SER A 27 -10.917 10.100 -4.466 1.00 0.00 C ATOM 318 O SER A 27 -11.428 11.223 -4.443 1.00 0.00 O ATOM 319 CB SER A 27 -11.737 8.434 -2.808 1.00 0.00 C ATOM 320 OG SER A 27 -13.041 8.409 -2.252 1.00 0.00 O ATOM 0 H SER A 27 -11.049 6.922 -4.630 1.00 0.00 H new ATOM 0 HA SER A 27 -12.803 9.085 -4.589 1.00 0.00 H new ATOM 0 HB2 SER A 27 -11.279 7.449 -2.716 1.00 0.00 H new ATOM 0 HB3 SER A 27 -11.112 9.130 -2.249 1.00 0.00 H new ATOM 0 HG SER A 27 -12.990 8.141 -1.311 1.00 0.00 H new ATOM 325 N VAL A 28 -9.608 9.914 -4.659 1.00 0.00 N ATOM 326 CA VAL A 28 -8.656 10.998 -4.937 1.00 0.00 C ATOM 327 C VAL A 28 -8.607 11.331 -6.438 1.00 0.00 C ATOM 328 O VAL A 28 -8.720 10.447 -7.289 1.00 0.00 O ATOM 329 CB VAL A 28 -7.255 10.665 -4.383 1.00 0.00 C ATOM 330 CG1 VAL A 28 -7.302 10.455 -2.863 1.00 0.00 C ATOM 331 CG2 VAL A 28 -6.602 9.430 -5.005 1.00 0.00 C ATOM 0 H VAL A 28 -9.171 8.993 -4.626 1.00 0.00 H new ATOM 0 HA VAL A 28 -9.009 11.890 -4.420 1.00 0.00 H new ATOM 0 HB VAL A 28 -6.648 11.530 -4.649 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.302 10.222 -2.497 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -7.662 11.364 -2.381 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.975 9.630 -2.630 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -5.621 9.272 -4.556 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -7.229 8.557 -4.824 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -6.490 9.580 -6.079 1.00 0.00 H new ATOM 341 N SER A 29 -8.399 12.611 -6.761 1.00 0.00 N ATOM 342 CA SER A 29 -8.309 13.126 -8.146 1.00 0.00 C ATOM 343 C SER A 29 -6.976 13.821 -8.466 1.00 0.00 C ATOM 344 O SER A 29 -6.685 14.077 -9.637 1.00 0.00 O ATOM 345 CB SER A 29 -9.474 14.083 -8.435 1.00 0.00 C ATOM 346 OG SER A 29 -10.645 13.358 -8.780 1.00 0.00 O ATOM 0 H SER A 29 -8.285 13.340 -6.057 1.00 0.00 H new ATOM 0 HA SER A 29 -8.366 12.251 -8.794 1.00 0.00 H new ATOM 0 HB2 SER A 29 -9.668 14.702 -7.559 1.00 0.00 H new ATOM 0 HB3 SER A 29 -9.205 14.757 -9.248 1.00 0.00 H new ATOM 0 HG SER A 29 -11.377 13.985 -8.959 1.00 0.00 H new ATOM 351 N SER A 30 -6.140 14.079 -7.456 1.00 0.00 N ATOM 352 CA SER A 30 -4.780 14.619 -7.605 1.00 0.00 C ATOM 353 C SER A 30 -3.732 13.524 -7.396 1.00 0.00 C ATOM 354 O SER A 30 -3.879 12.670 -6.520 1.00 0.00 O ATOM 355 CB SER A 30 -4.548 15.748 -6.589 1.00 0.00 C ATOM 356 OG SER A 30 -5.149 16.949 -7.039 1.00 0.00 O ATOM 0 H SER A 30 -6.396 13.914 -6.482 1.00 0.00 H new ATOM 0 HA SER A 30 -4.680 15.011 -8.617 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.964 15.466 -5.622 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.479 15.901 -6.444 1.00 0.00 H new ATOM 0 HG SER A 30 -4.995 17.659 -6.381 1.00 0.00 H new ATOM 361 N ALA A 31 -2.635 13.573 -8.156 1.00 0.00 N ATOM 362 CA ALA A 31 -1.508 12.644 -8.010 1.00 0.00 C ATOM 363 C ALA A 31 -0.879 12.710 -6.603 1.00 0.00 C ATOM 364 O ALA A 31 -0.604 11.679 -5.986 1.00 0.00 O ATOM 365 CB ALA A 31 -0.486 12.963 -9.109 1.00 0.00 C ATOM 0 H ALA A 31 -2.502 14.263 -8.896 1.00 0.00 H new ATOM 0 HA ALA A 31 -1.863 11.619 -8.122 1.00 0.00 H new ATOM 0 HB1 ALA A 31 0.364 12.286 -9.023 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -0.952 12.839 -10.086 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -0.143 13.992 -8.999 1.00 0.00 H new ATOM 371 N SER A 32 -0.734 13.920 -6.052 1.00 0.00 N ATOM 372 CA SER A 32 -0.326 14.125 -4.656 1.00 0.00 C ATOM 373 C SER A 32 -1.368 13.649 -3.640 1.00 0.00 C ATOM 374 O SER A 32 -0.985 13.209 -2.566 1.00 0.00 O ATOM 375 CB SER A 32 -0.011 15.597 -4.376 1.00 0.00 C ATOM 376 OG SER A 32 1.216 15.959 -4.990 1.00 0.00 O ATOM 0 H SER A 32 -0.897 14.788 -6.562 1.00 0.00 H new ATOM 0 HA SER A 32 0.570 13.517 -4.532 1.00 0.00 H new ATOM 0 HB2 SER A 32 -0.816 16.227 -4.754 1.00 0.00 H new ATOM 0 HB3 SER A 32 0.048 15.766 -3.301 1.00 0.00 H new ATOM 0 HG SER A 32 1.408 16.902 -4.807 1.00 0.00 H new ATOM 381 N ALA A 33 -2.671 13.679 -3.944 1.00 0.00 N ATOM 382 CA ALA A 33 -3.692 13.130 -3.042 1.00 0.00 C ATOM 383 C ALA A 33 -3.632 11.592 -2.970 1.00 0.00 C ATOM 384 O ALA A 33 -3.764 11.026 -1.883 1.00 0.00 O ATOM 385 CB ALA A 33 -5.076 13.641 -3.453 1.00 0.00 C ATOM 0 H ALA A 33 -3.043 14.077 -4.806 1.00 0.00 H new ATOM 0 HA ALA A 33 -3.487 13.482 -2.031 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.830 13.231 -2.781 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -5.093 14.729 -3.397 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -5.291 13.327 -4.474 1.00 0.00 H new ATOM 391 N ALA A 34 -3.342 10.912 -4.089 1.00 0.00 N ATOM 392 CA ALA A 34 -2.968 9.496 -4.061 1.00 0.00 C ATOM 393 C ALA A 34 -1.715 9.270 -3.209 1.00 0.00 C ATOM 394 O ALA A 34 -1.700 8.354 -2.390 1.00 0.00 O ATOM 395 CB ALA A 34 -2.791 8.963 -5.491 1.00 0.00 C ATOM 0 H ALA A 34 -3.360 11.322 -5.023 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.775 8.934 -3.592 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -2.513 7.910 -5.455 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.727 9.073 -6.039 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.007 9.528 -5.995 1.00 0.00 H new ATOM 401 N SER A 35 -0.690 10.120 -3.343 1.00 0.00 N ATOM 402 CA SER A 35 0.513 10.035 -2.507 1.00 0.00 C ATOM 403 C SER A 35 0.203 10.242 -1.019 1.00 0.00 C ATOM 404 O SER A 35 0.661 9.446 -0.209 1.00 0.00 O ATOM 405 CB SER A 35 1.640 10.926 -3.053 1.00 0.00 C ATOM 406 OG SER A 35 1.932 12.047 -2.238 1.00 0.00 O ATOM 0 H SER A 35 -0.670 10.878 -4.026 1.00 0.00 H new ATOM 0 HA SER A 35 0.894 9.015 -2.566 1.00 0.00 H new ATOM 0 HB2 SER A 35 2.543 10.325 -3.165 1.00 0.00 H new ATOM 0 HB3 SER A 35 1.364 11.275 -4.048 1.00 0.00 H new ATOM 0 HG SER A 35 1.129 12.600 -2.143 1.00 0.00 H new ATOM 411 N SER A 36 -0.659 11.195 -0.652 1.00 0.00 N ATOM 412 CA SER A 36 -1.119 11.430 0.726 1.00 0.00 C ATOM 413 C SER A 36 -1.883 10.244 1.317 1.00 0.00 C ATOM 414 O SER A 36 -1.630 9.887 2.471 1.00 0.00 O ATOM 415 CB SER A 36 -2.025 12.668 0.797 1.00 0.00 C ATOM 416 OG SER A 36 -1.324 13.841 0.420 1.00 0.00 O ATOM 0 H SER A 36 -1.070 11.845 -1.323 1.00 0.00 H new ATOM 0 HA SER A 36 -0.213 11.580 1.313 1.00 0.00 H new ATOM 0 HB2 SER A 36 -2.885 12.530 0.142 1.00 0.00 H new ATOM 0 HB3 SER A 36 -2.410 12.782 1.810 1.00 0.00 H new ATOM 0 HG SER A 36 -1.138 13.816 -0.542 1.00 0.00 H new ATOM 421 N LEU A 37 -2.791 9.614 0.557 1.00 0.00 N ATOM 422 CA LEU A 37 -3.501 8.413 1.015 1.00 0.00 C ATOM 423 C LEU A 37 -2.522 7.247 1.161 1.00 0.00 C ATOM 424 O LEU A 37 -2.475 6.616 2.214 1.00 0.00 O ATOM 425 CB LEU A 37 -4.739 8.103 0.128 1.00 0.00 C ATOM 426 CG LEU A 37 -4.673 6.978 -0.939 1.00 0.00 C ATOM 427 CD1 LEU A 37 -4.761 5.561 -0.362 1.00 0.00 C ATOM 428 CD2 LEU A 37 -5.866 7.098 -1.882 1.00 0.00 C ATOM 0 H LEU A 37 -3.051 9.919 -0.381 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.913 8.594 2.008 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.565 7.865 0.798 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.004 9.025 -0.390 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.707 7.111 -1.427 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.708 4.834 -1.173 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.933 5.397 0.328 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.705 5.443 0.170 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.819 6.307 -2.631 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -6.791 7.004 -1.313 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.842 8.069 -2.377 1.00 0.00 H new ATOM 439 N ALA A 38 -1.721 6.983 0.127 1.00 0.00 N ATOM 440 CA ALA A 38 -0.813 5.849 0.093 1.00 0.00 C ATOM 441 C ALA A 38 0.262 5.984 1.181 1.00 0.00 C ATOM 442 O ALA A 38 0.575 5.000 1.838 1.00 0.00 O ATOM 443 CB ALA A 38 -0.240 5.716 -1.323 1.00 0.00 C ATOM 0 H ALA A 38 -1.689 7.559 -0.714 1.00 0.00 H new ATOM 0 HA ALA A 38 -1.344 4.924 0.320 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.443 4.868 -1.361 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -1.053 5.559 -2.031 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.298 6.627 -1.585 1.00 0.00 H new ATOM 449 N TYR A 39 0.766 7.195 1.435 1.00 0.00 N ATOM 450 CA TYR A 39 1.635 7.532 2.563 1.00 0.00 C ATOM 451 C TYR A 39 0.959 7.212 3.905 1.00 0.00 C ATOM 452 O TYR A 39 1.484 6.408 4.668 1.00 0.00 O ATOM 453 CB TYR A 39 2.019 9.019 2.453 1.00 0.00 C ATOM 454 CG TYR A 39 2.979 9.569 3.492 1.00 0.00 C ATOM 455 CD1 TYR A 39 2.510 9.960 4.761 1.00 0.00 C ATOM 456 CD2 TYR A 39 4.336 9.761 3.162 1.00 0.00 C ATOM 457 CE1 TYR A 39 3.401 10.499 5.708 1.00 0.00 C ATOM 458 CE2 TYR A 39 5.236 10.279 4.113 1.00 0.00 C ATOM 459 CZ TYR A 39 4.770 10.641 5.396 1.00 0.00 C ATOM 460 OH TYR A 39 5.630 11.142 6.325 1.00 0.00 O ATOM 0 H TYR A 39 0.571 7.998 0.836 1.00 0.00 H new ATOM 0 HA TYR A 39 2.539 6.924 2.527 1.00 0.00 H new ATOM 0 HB2 TYR A 39 2.458 9.182 1.469 1.00 0.00 H new ATOM 0 HB3 TYR A 39 1.103 9.608 2.495 1.00 0.00 H new ATOM 0 HD1 TYR A 39 1.465 9.846 5.008 1.00 0.00 H new ATOM 0 HD2 TYR A 39 4.688 9.509 2.173 1.00 0.00 H new ATOM 0 HE1 TYR A 39 3.036 10.805 6.677 1.00 0.00 H new ATOM 0 HE2 TYR A 39 6.280 10.399 3.862 1.00 0.00 H new ATOM 0 HH TYR A 39 6.535 11.173 5.950 1.00 0.00 H new ATOM 469 N ASN A 40 -0.233 7.765 4.179 1.00 0.00 N ATOM 470 CA ASN A 40 -0.978 7.524 5.428 1.00 0.00 C ATOM 471 C ASN A 40 -1.279 6.034 5.681 1.00 0.00 C ATOM 472 O ASN A 40 -1.154 5.548 6.805 1.00 0.00 O ATOM 473 CB ASN A 40 -2.280 8.346 5.416 1.00 0.00 C ATOM 474 CG ASN A 40 -2.092 9.714 6.043 1.00 0.00 C ATOM 475 OD1 ASN A 40 -2.107 9.870 7.258 1.00 0.00 O ATOM 476 ND2 ASN A 40 -1.904 10.744 5.253 1.00 0.00 N ATOM 0 H ASN A 40 -0.711 8.397 3.537 1.00 0.00 H new ATOM 0 HA ASN A 40 -0.340 7.845 6.251 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -2.626 8.462 4.389 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -3.057 7.803 5.955 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -1.770 11.674 5.650 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -1.891 10.615 4.241 1.00 0.00 H new ATOM 482 N ILE A 41 -1.636 5.301 4.629 1.00 0.00 N ATOM 483 CA ILE A 41 -1.807 3.844 4.631 1.00 0.00 C ATOM 484 C ILE A 41 -0.466 3.116 4.821 1.00 0.00 C ATOM 485 O ILE A 41 -0.369 2.142 5.569 1.00 0.00 O ATOM 486 CB ILE A 41 -2.524 3.466 3.315 1.00 0.00 C ATOM 487 CG1 ILE A 41 -4.016 3.848 3.457 1.00 0.00 C ATOM 488 CG2 ILE A 41 -2.239 2.021 2.884 1.00 0.00 C ATOM 489 CD1 ILE A 41 -4.908 3.334 2.332 1.00 0.00 C ATOM 0 H ILE A 41 -1.822 5.718 3.717 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.416 3.525 5.477 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.125 4.036 2.476 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -4.389 3.461 4.405 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.098 4.934 3.502 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.767 1.808 1.954 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -1.168 1.892 2.731 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -2.580 1.336 3.660 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -5.937 3.647 2.511 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.565 3.741 1.381 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.861 2.246 2.299 1.00 0.00 H new ATOM 500 N GLY A 42 0.582 3.628 4.186 1.00 0.00 N ATOM 501 CA GLY A 42 1.968 3.198 4.298 1.00 0.00 C ATOM 502 C GLY A 42 2.498 3.238 5.721 1.00 0.00 C ATOM 503 O GLY A 42 3.206 2.317 6.104 1.00 0.00 O ATOM 0 H GLY A 42 0.477 4.407 3.536 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.058 2.182 3.913 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.590 3.834 3.668 1.00 0.00 H new ATOM 507 N LEU A 43 2.115 4.232 6.533 1.00 0.00 N ATOM 508 CA LEU A 43 2.432 4.248 7.968 1.00 0.00 C ATOM 509 C LEU A 43 1.892 3.009 8.698 1.00 0.00 C ATOM 510 O LEU A 43 2.567 2.499 9.586 1.00 0.00 O ATOM 511 CB LEU A 43 1.907 5.524 8.667 1.00 0.00 C ATOM 512 CG LEU A 43 2.760 6.805 8.596 1.00 0.00 C ATOM 513 CD1 LEU A 43 4.223 6.578 8.967 1.00 0.00 C ATOM 514 CD2 LEU A 43 2.750 7.463 7.228 1.00 0.00 C ATOM 0 H LEU A 43 1.581 5.042 6.218 1.00 0.00 H new ATOM 0 HA LEU A 43 3.520 4.239 8.027 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.928 5.754 8.246 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.753 5.286 9.720 1.00 0.00 H new ATOM 0 HG LEU A 43 2.284 7.458 9.327 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.767 7.520 8.896 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.285 6.199 9.987 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.663 5.853 8.283 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.371 8.359 7.251 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.143 6.767 6.487 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.729 7.736 6.963 1.00 0.00 H new ATOM 525 N SER A 44 0.714 2.497 8.331 1.00 0.00 N ATOM 526 CA SER A 44 0.150 1.283 8.938 1.00 0.00 C ATOM 527 C SER A 44 0.925 0.028 8.524 1.00 0.00 C ATOM 528 O SER A 44 1.333 -0.754 9.383 1.00 0.00 O ATOM 529 CB SER A 44 -1.307 1.128 8.520 1.00 0.00 C ATOM 530 OG SER A 44 -1.948 0.099 9.252 1.00 0.00 O ATOM 0 H SER A 44 0.124 2.909 7.608 1.00 0.00 H new ATOM 0 HA SER A 44 0.225 1.390 10.020 1.00 0.00 H new ATOM 0 HB2 SER A 44 -1.834 2.070 8.675 1.00 0.00 H new ATOM 0 HB3 SER A 44 -1.360 0.905 7.454 1.00 0.00 H new ATOM 0 HG SER A 44 -2.881 0.024 8.963 1.00 0.00 H new ATOM 535 N ALA A 45 1.210 -0.136 7.222 1.00 0.00 N ATOM 536 CA ALA A 45 2.074 -1.212 6.733 1.00 0.00 C ATOM 537 C ALA A 45 3.462 -1.147 7.399 1.00 0.00 C ATOM 538 O ALA A 45 3.931 -2.133 7.961 1.00 0.00 O ATOM 539 CB ALA A 45 2.159 -1.136 5.201 1.00 0.00 C ATOM 0 H ALA A 45 0.849 0.471 6.487 1.00 0.00 H new ATOM 0 HA ALA A 45 1.646 -2.178 7.003 1.00 0.00 H new ATOM 0 HB1 ALA A 45 2.802 -1.936 4.832 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.162 -1.246 4.775 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.574 -0.172 4.907 1.00 0.00 H new ATOM 545 N ALA A 46 4.082 0.034 7.418 1.00 0.00 N ATOM 546 CA ALA A 46 5.371 0.297 8.047 1.00 0.00 C ATOM 547 C ALA A 46 5.384 -0.040 9.551 1.00 0.00 C ATOM 548 O ALA A 46 6.286 -0.741 10.014 1.00 0.00 O ATOM 549 CB ALA A 46 5.736 1.762 7.784 1.00 0.00 C ATOM 0 H ALA A 46 3.682 0.863 6.978 1.00 0.00 H new ATOM 0 HA ALA A 46 6.122 -0.359 7.608 1.00 0.00 H new ATOM 0 HB1 ALA A 46 6.698 1.986 8.245 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.800 1.934 6.710 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.970 2.410 8.210 1.00 0.00 H new ATOM 555 N ARG A 47 4.350 0.369 10.302 1.00 0.00 N ATOM 556 CA ARG A 47 4.155 0.013 11.719 1.00 0.00 C ATOM 557 C ARG A 47 4.032 -1.499 11.928 1.00 0.00 C ATOM 558 O ARG A 47 4.731 -2.053 12.777 1.00 0.00 O ATOM 559 CB ARG A 47 2.921 0.751 12.274 1.00 0.00 C ATOM 560 CG ARG A 47 3.244 2.198 12.683 1.00 0.00 C ATOM 561 CD ARG A 47 1.957 2.990 12.950 1.00 0.00 C ATOM 562 NE ARG A 47 2.204 4.160 13.817 1.00 0.00 N ATOM 563 CZ ARG A 47 1.315 5.057 14.206 1.00 0.00 C ATOM 564 NH1 ARG A 47 0.094 5.070 13.748 1.00 0.00 N ATOM 565 NH2 ARG A 47 1.637 5.967 15.079 1.00 0.00 N ATOM 0 H ARG A 47 3.610 0.968 9.936 1.00 0.00 H new ATOM 0 HA ARG A 47 5.041 0.329 12.269 1.00 0.00 H new ATOM 0 HB2 ARG A 47 2.133 0.756 11.521 1.00 0.00 H new ATOM 0 HB3 ARG A 47 2.534 0.209 13.137 1.00 0.00 H new ATOM 0 HG2 ARG A 47 3.868 2.197 13.577 1.00 0.00 H new ATOM 0 HG3 ARG A 47 3.818 2.684 11.894 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.532 3.322 12.003 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.220 2.339 13.419 1.00 0.00 H new ATOM 0 HE ARG A 47 3.159 4.289 14.150 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -0.202 4.372 13.066 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -0.565 5.778 14.072 1.00 0.00 H new ATOM 0 HH21 ARG A 47 2.580 5.991 15.467 1.00 0.00 H new ATOM 0 HH22 ARG A 47 0.946 6.657 15.375 1.00 0.00 H new ATOM 576 N SER A 48 3.209 -2.182 11.130 1.00 0.00 N ATOM 577 CA SER A 48 3.048 -3.648 11.167 1.00 0.00 C ATOM 578 C SER A 48 4.316 -4.423 10.773 1.00 0.00 C ATOM 579 O SER A 48 4.514 -5.553 11.222 1.00 0.00 O ATOM 580 CB SER A 48 1.889 -4.075 10.258 1.00 0.00 C ATOM 581 OG SER A 48 0.656 -3.634 10.806 1.00 0.00 O ATOM 0 H SER A 48 2.624 -1.731 10.427 1.00 0.00 H new ATOM 0 HA SER A 48 2.836 -3.899 12.206 1.00 0.00 H new ATOM 0 HB2 SER A 48 2.024 -3.656 9.261 1.00 0.00 H new ATOM 0 HB3 SER A 48 1.881 -5.160 10.149 1.00 0.00 H new ATOM 0 HG SER A 48 -0.080 -3.909 10.219 1.00 0.00 H new ATOM 586 N LEU A 49 5.199 -3.809 9.980 1.00 0.00 N ATOM 587 CA LEU A 49 6.497 -4.352 9.550 1.00 0.00 C ATOM 588 C LEU A 49 7.671 -3.864 10.431 1.00 0.00 C ATOM 589 O LEU A 49 8.826 -4.203 10.164 1.00 0.00 O ATOM 590 CB LEU A 49 6.701 -3.978 8.068 1.00 0.00 C ATOM 591 CG LEU A 49 5.673 -4.608 7.109 1.00 0.00 C ATOM 592 CD1 LEU A 49 5.711 -3.887 5.765 1.00 0.00 C ATOM 593 CD2 LEU A 49 5.918 -6.099 6.870 1.00 0.00 C ATOM 0 H LEU A 49 5.023 -2.878 9.602 1.00 0.00 H new ATOM 0 HA LEU A 49 6.486 -5.436 9.666 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.656 -2.893 7.969 1.00 0.00 H new ATOM 0 HB3 LEU A 49 7.701 -4.284 7.762 1.00 0.00 H new ATOM 0 HG LEU A 49 4.698 -4.501 7.584 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.982 -4.336 5.090 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.470 -2.834 5.910 1.00 0.00 H new ATOM 0 HD13 LEU A 49 6.708 -3.975 5.333 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.163 -6.487 6.187 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.907 -6.240 6.435 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.859 -6.634 7.818 1.00 0.00 H new ATOM 604 N GLY A 50 7.393 -3.078 11.479 1.00 0.00 N ATOM 605 CA GLY A 50 8.380 -2.520 12.415 1.00 0.00 C ATOM 606 C GLY A 50 9.475 -1.659 11.767 1.00 0.00 C ATOM 607 O GLY A 50 10.617 -1.667 12.232 1.00 0.00 O ATOM 0 H GLY A 50 6.438 -2.802 11.708 1.00 0.00 H new ATOM 0 HA2 GLY A 50 7.855 -1.917 13.156 1.00 0.00 H new ATOM 0 HA3 GLY A 50 8.855 -3.342 12.951 1.00 0.00 H new ATOM 611 N ILE A 51 9.154 -0.955 10.676 1.00 0.00 N ATOM 612 CA ILE A 51 10.095 -0.131 9.899 1.00 0.00 C ATOM 613 C ILE A 51 10.716 0.977 10.775 1.00 0.00 C ATOM 614 O ILE A 51 10.013 1.739 11.438 1.00 0.00 O ATOM 615 CB ILE A 51 9.372 0.433 8.653 1.00 0.00 C ATOM 616 CG1 ILE A 51 8.819 -0.665 7.713 1.00 0.00 C ATOM 617 CG2 ILE A 51 10.254 1.386 7.835 1.00 0.00 C ATOM 618 CD1 ILE A 51 9.820 -1.710 7.206 1.00 0.00 C ATOM 0 H ILE A 51 8.207 -0.940 10.296 1.00 0.00 H new ATOM 0 HA ILE A 51 10.926 -0.748 9.557 1.00 0.00 H new ATOM 0 HB ILE A 51 8.530 0.990 9.065 1.00 0.00 H new ATOM 0 HG12 ILE A 51 8.018 -1.188 8.236 1.00 0.00 H new ATOM 0 HG13 ILE A 51 8.370 -0.177 6.848 1.00 0.00 H new ATOM 0 HG21 ILE A 51 9.694 1.750 6.973 1.00 0.00 H new ATOM 0 HG22 ILE A 51 10.552 2.230 8.457 1.00 0.00 H new ATOM 0 HG23 ILE A 51 11.143 0.856 7.493 1.00 0.00 H new ATOM 0 HD11 ILE A 51 9.307 -2.421 6.558 1.00 0.00 H new ATOM 0 HD12 ILE A 51 10.612 -1.213 6.645 1.00 0.00 H new ATOM 0 HD13 ILE A 51 10.254 -2.240 8.054 1.00 0.00 H new ATOM 629 N ALA A 52 12.048 1.090 10.757 1.00 0.00 N ATOM 630 CA ALA A 52 12.827 2.056 11.551 1.00 0.00 C ATOM 631 C ALA A 52 12.822 3.500 10.987 1.00 0.00 C ATOM 632 O ALA A 52 13.579 4.367 11.433 1.00 0.00 O ATOM 633 CB ALA A 52 14.250 1.497 11.671 1.00 0.00 C ATOM 0 H ALA A 52 12.635 0.495 10.173 1.00 0.00 H new ATOM 0 HA ALA A 52 12.357 2.161 12.529 1.00 0.00 H new ATOM 0 HB1 ALA A 52 14.863 2.184 12.254 1.00 0.00 H new ATOM 0 HB2 ALA A 52 14.219 0.527 12.168 1.00 0.00 H new ATOM 0 HB3 ALA A 52 14.681 1.381 10.676 1.00 0.00 H new ATOM 639 N SER A 53 11.994 3.744 9.974 1.00 0.00 N ATOM 640 CA SER A 53 11.925 4.948 9.142 1.00 0.00 C ATOM 641 C SER A 53 10.589 4.984 8.386 1.00 0.00 C ATOM 642 O SER A 53 10.545 5.061 7.157 1.00 0.00 O ATOM 643 CB SER A 53 13.132 4.996 8.188 1.00 0.00 C ATOM 644 OG SER A 53 13.250 3.813 7.409 1.00 0.00 O ATOM 0 H SER A 53 11.299 3.053 9.690 1.00 0.00 H new ATOM 0 HA SER A 53 11.970 5.836 9.772 1.00 0.00 H new ATOM 0 HB2 SER A 53 13.035 5.856 7.526 1.00 0.00 H new ATOM 0 HB3 SER A 53 14.044 5.140 8.767 1.00 0.00 H new ATOM 0 HG SER A 53 12.422 3.670 6.904 1.00 0.00 H new ATOM 649 N ASP A 54 9.468 4.854 9.110 1.00 0.00 N ATOM 650 CA ASP A 54 8.122 4.799 8.510 1.00 0.00 C ATOM 651 C ASP A 54 7.867 5.976 7.553 1.00 0.00 C ATOM 652 O ASP A 54 7.246 5.810 6.508 1.00 0.00 O ATOM 653 CB ASP A 54 7.020 4.795 9.583 1.00 0.00 C ATOM 654 CG ASP A 54 7.278 3.894 10.797 1.00 0.00 C ATOM 655 OD1 ASP A 54 6.864 2.713 10.770 1.00 0.00 O ATOM 656 OD2 ASP A 54 7.850 4.393 11.794 1.00 0.00 O ATOM 0 H ASP A 54 9.466 4.784 10.128 1.00 0.00 H new ATOM 0 HA ASP A 54 8.086 3.866 7.947 1.00 0.00 H new ATOM 0 HB2 ASP A 54 6.878 5.817 9.935 1.00 0.00 H new ATOM 0 HB3 ASP A 54 6.085 4.486 9.116 1.00 0.00 H new ATOM 660 N THR A 55 8.408 7.149 7.890 1.00 0.00 N ATOM 661 CA THR A 55 8.413 8.380 7.088 1.00 0.00 C ATOM 662 C THR A 55 9.178 8.247 5.765 1.00 0.00 C ATOM 663 O THR A 55 8.743 8.797 4.753 1.00 0.00 O ATOM 664 CB THR A 55 9.043 9.523 7.904 1.00 0.00 C ATOM 665 OG1 THR A 55 10.332 9.145 8.354 1.00 0.00 O ATOM 666 CG2 THR A 55 8.220 9.857 9.150 1.00 0.00 C ATOM 0 H THR A 55 8.884 7.275 8.784 1.00 0.00 H new ATOM 0 HA THR A 55 7.372 8.589 6.842 1.00 0.00 H new ATOM 0 HB THR A 55 9.084 10.390 7.245 1.00 0.00 H new ATOM 0 HG1 THR A 55 10.726 9.878 8.871 1.00 0.00 H new ATOM 0 HG21 THR A 55 8.700 10.669 9.697 1.00 0.00 H new ATOM 0 HG22 THR A 55 7.217 10.164 8.852 1.00 0.00 H new ATOM 0 HG23 THR A 55 8.155 8.977 9.790 1.00 0.00 H new ATOM 674 N ALA A 56 10.288 7.500 5.739 1.00 0.00 N ATOM 675 CA ALA A 56 11.069 7.226 4.533 1.00 0.00 C ATOM 676 C ALA A 56 10.418 6.149 3.654 1.00 0.00 C ATOM 677 O ALA A 56 10.407 6.305 2.437 1.00 0.00 O ATOM 678 CB ALA A 56 12.495 6.812 4.919 1.00 0.00 C ATOM 0 H ALA A 56 10.674 7.061 6.575 1.00 0.00 H new ATOM 0 HA ALA A 56 11.102 8.143 3.944 1.00 0.00 H new ATOM 0 HB1 ALA A 56 13.072 6.609 4.017 1.00 0.00 H new ATOM 0 HB2 ALA A 56 12.969 7.618 5.479 1.00 0.00 H new ATOM 0 HB3 ALA A 56 12.459 5.914 5.536 1.00 0.00 H new ATOM 684 N LEU A 57 9.840 5.085 4.231 1.00 0.00 N ATOM 685 CA LEU A 57 9.106 4.072 3.456 1.00 0.00 C ATOM 686 C LEU A 57 7.812 4.659 2.880 1.00 0.00 C ATOM 687 O LEU A 57 7.567 4.554 1.680 1.00 0.00 O ATOM 688 CB LEU A 57 8.864 2.816 4.318 1.00 0.00 C ATOM 689 CG LEU A 57 8.247 1.579 3.616 1.00 0.00 C ATOM 690 CD1 LEU A 57 6.719 1.586 3.633 1.00 0.00 C ATOM 691 CD2 LEU A 57 8.694 1.375 2.164 1.00 0.00 C ATOM 0 H LEU A 57 9.867 4.903 5.234 1.00 0.00 H new ATOM 0 HA LEU A 57 9.710 3.763 2.603 1.00 0.00 H new ATOM 0 HB2 LEU A 57 9.818 2.516 4.752 1.00 0.00 H new ATOM 0 HB3 LEU A 57 8.211 3.095 5.145 1.00 0.00 H new ATOM 0 HG LEU A 57 8.631 0.752 4.213 1.00 0.00 H new ATOM 0 HD11 LEU A 57 6.345 0.696 3.127 1.00 0.00 H new ATOM 0 HD12 LEU A 57 6.367 1.592 4.664 1.00 0.00 H new ATOM 0 HD13 LEU A 57 6.353 2.475 3.120 1.00 0.00 H new ATOM 0 HD21 LEU A 57 8.211 0.487 1.756 1.00 0.00 H new ATOM 0 HD22 LEU A 57 8.413 2.245 1.571 1.00 0.00 H new ATOM 0 HD23 LEU A 57 9.776 1.248 2.131 1.00 0.00 H new ATOM 702 N ALA A 58 7.012 5.339 3.703 1.00 0.00 N ATOM 703 CA ALA A 58 5.824 6.050 3.240 1.00 0.00 C ATOM 704 C ALA A 58 6.176 7.141 2.212 1.00 0.00 C ATOM 705 O ALA A 58 5.481 7.277 1.211 1.00 0.00 O ATOM 706 CB ALA A 58 5.071 6.602 4.453 1.00 0.00 C ATOM 0 H ALA A 58 7.171 5.411 4.708 1.00 0.00 H new ATOM 0 HA ALA A 58 5.168 5.357 2.713 1.00 0.00 H new ATOM 0 HB1 ALA A 58 4.181 7.135 4.117 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.777 5.779 5.104 1.00 0.00 H new ATOM 0 HB3 ALA A 58 5.718 7.286 5.003 1.00 0.00 H new ATOM 712 N GLY A 59 7.280 7.872 2.398 1.00 0.00 N ATOM 713 CA GLY A 59 7.781 8.852 1.427 1.00 0.00 C ATOM 714 C GLY A 59 8.217 8.224 0.097 1.00 0.00 C ATOM 715 O GLY A 59 7.808 8.676 -0.972 1.00 0.00 O ATOM 0 H GLY A 59 7.857 7.800 3.236 1.00 0.00 H new ATOM 0 HA2 GLY A 59 7.003 9.591 1.234 1.00 0.00 H new ATOM 0 HA3 GLY A 59 8.626 9.385 1.863 1.00 0.00 H new ATOM 719 N ALA A 60 8.996 7.142 0.142 1.00 0.00 N ATOM 720 CA ALA A 60 9.442 6.407 -1.042 1.00 0.00 C ATOM 721 C ALA A 60 8.270 5.766 -1.812 1.00 0.00 C ATOM 722 O ALA A 60 8.224 5.848 -3.040 1.00 0.00 O ATOM 723 CB ALA A 60 10.477 5.360 -0.608 1.00 0.00 C ATOM 0 H ALA A 60 9.340 6.746 1.017 1.00 0.00 H new ATOM 0 HA ALA A 60 9.902 7.108 -1.739 1.00 0.00 H new ATOM 0 HB1 ALA A 60 10.819 4.803 -1.480 1.00 0.00 H new ATOM 0 HB2 ALA A 60 11.326 5.859 -0.140 1.00 0.00 H new ATOM 0 HB3 ALA A 60 10.022 4.673 0.105 1.00 0.00 H new ATOM 729 N LEU A 61 7.287 5.181 -1.113 1.00 0.00 N ATOM 730 CA LEU A 61 6.073 4.652 -1.749 1.00 0.00 C ATOM 731 C LEU A 61 5.175 5.776 -2.296 1.00 0.00 C ATOM 732 O LEU A 61 4.577 5.618 -3.360 1.00 0.00 O ATOM 733 CB LEU A 61 5.357 3.645 -0.818 1.00 0.00 C ATOM 734 CG LEU A 61 4.211 4.168 0.067 1.00 0.00 C ATOM 735 CD1 LEU A 61 2.891 4.348 -0.674 1.00 0.00 C ATOM 736 CD2 LEU A 61 3.900 3.160 1.172 1.00 0.00 C ATOM 0 H LEU A 61 7.310 5.062 -0.100 1.00 0.00 H new ATOM 0 HA LEU A 61 6.359 4.081 -2.632 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.960 2.841 -1.438 1.00 0.00 H new ATOM 0 HB3 LEU A 61 6.108 3.202 -0.164 1.00 0.00 H new ATOM 0 HG LEU A 61 4.566 5.130 0.436 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.134 4.719 0.017 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.024 5.064 -1.485 1.00 0.00 H new ATOM 0 HD13 LEU A 61 2.570 3.390 -1.084 1.00 0.00 H new ATOM 0 HD21 LEU A 61 3.088 3.539 1.792 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.603 2.211 0.726 1.00 0.00 H new ATOM 0 HD23 LEU A 61 4.787 3.009 1.787 1.00 0.00 H new ATOM 747 N ALA A 62 5.105 6.932 -1.625 1.00 0.00 N ATOM 748 CA ALA A 62 4.377 8.100 -2.120 1.00 0.00 C ATOM 749 C ALA A 62 4.932 8.570 -3.477 1.00 0.00 C ATOM 750 O ALA A 62 4.162 8.833 -4.402 1.00 0.00 O ATOM 751 CB ALA A 62 4.421 9.212 -1.063 1.00 0.00 C ATOM 0 H ALA A 62 5.554 7.081 -0.721 1.00 0.00 H new ATOM 0 HA ALA A 62 3.335 7.828 -2.291 1.00 0.00 H new ATOM 0 HB1 ALA A 62 3.879 10.084 -1.429 1.00 0.00 H new ATOM 0 HB2 ALA A 62 3.958 8.857 -0.142 1.00 0.00 H new ATOM 0 HB3 ALA A 62 5.457 9.486 -0.866 1.00 0.00 H new ATOM 757 N GLN A 63 6.260 8.590 -3.640 1.00 0.00 N ATOM 758 CA GLN A 63 6.899 8.833 -4.940 1.00 0.00 C ATOM 759 C GLN A 63 6.593 7.740 -5.977 1.00 0.00 C ATOM 760 O GLN A 63 6.486 8.049 -7.163 1.00 0.00 O ATOM 761 CB GLN A 63 8.419 8.982 -4.779 1.00 0.00 C ATOM 762 CG GLN A 63 8.811 10.235 -3.984 1.00 0.00 C ATOM 763 CD GLN A 63 10.320 10.462 -4.026 1.00 0.00 C ATOM 764 OE1 GLN A 63 11.066 10.079 -3.132 1.00 0.00 O ATOM 765 NE2 GLN A 63 10.832 11.077 -5.071 1.00 0.00 N ATOM 0 H GLN A 63 6.921 8.439 -2.878 1.00 0.00 H new ATOM 0 HA GLN A 63 6.474 9.764 -5.317 1.00 0.00 H new ATOM 0 HB2 GLN A 63 8.815 8.099 -4.277 1.00 0.00 H new ATOM 0 HB3 GLN A 63 8.882 9.023 -5.765 1.00 0.00 H new ATOM 0 HG2 GLN A 63 8.298 11.105 -4.394 1.00 0.00 H new ATOM 0 HG3 GLN A 63 8.484 10.130 -2.949 1.00 0.00 H new ATOM 0 HE21 GLN A 63 10.222 11.401 -5.822 1.00 0.00 H new ATOM 0 HE22 GLN A 63 11.839 11.230 -5.130 1.00 0.00 H new ATOM 772 N ALA A 64 6.407 6.482 -5.562 1.00 0.00 N ATOM 773 CA ALA A 64 6.016 5.394 -6.462 1.00 0.00 C ATOM 774 C ALA A 64 4.606 5.621 -7.044 1.00 0.00 C ATOM 775 O ALA A 64 4.425 5.575 -8.263 1.00 0.00 O ATOM 776 CB ALA A 64 6.140 4.056 -5.718 1.00 0.00 C ATOM 0 H ALA A 64 6.524 6.190 -4.592 1.00 0.00 H new ATOM 0 HA ALA A 64 6.689 5.372 -7.319 1.00 0.00 H new ATOM 0 HB1 ALA A 64 5.850 3.242 -6.383 1.00 0.00 H new ATOM 0 HB2 ALA A 64 7.172 3.913 -5.397 1.00 0.00 H new ATOM 0 HB3 ALA A 64 5.486 4.063 -4.846 1.00 0.00 H new ATOM 782 N VAL A 65 3.618 5.944 -6.197 1.00 0.00 N ATOM 783 CA VAL A 65 2.249 6.287 -6.636 1.00 0.00 C ATOM 784 C VAL A 65 2.216 7.565 -7.483 1.00 0.00 C ATOM 785 O VAL A 65 1.555 7.612 -8.524 1.00 0.00 O ATOM 786 CB VAL A 65 1.297 6.353 -5.421 1.00 0.00 C ATOM 787 CG1 VAL A 65 0.789 7.733 -5.018 1.00 0.00 C ATOM 788 CG2 VAL A 65 0.063 5.493 -5.666 1.00 0.00 C ATOM 0 H VAL A 65 3.742 5.976 -5.185 1.00 0.00 H new ATOM 0 HA VAL A 65 1.893 5.492 -7.291 1.00 0.00 H new ATOM 0 HB VAL A 65 1.926 5.997 -4.605 1.00 0.00 H new ATOM 0 HG11 VAL A 65 0.131 7.641 -4.154 1.00 0.00 H new ATOM 0 HG12 VAL A 65 1.635 8.372 -4.764 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.237 8.174 -5.848 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.598 5.550 -4.801 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -0.463 5.855 -6.549 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.366 4.458 -5.823 1.00 0.00 H new ATOM 798 N GLY A 66 3.010 8.571 -7.095 1.00 0.00 N ATOM 799 CA GLY A 66 3.211 9.814 -7.845 1.00 0.00 C ATOM 800 C GLY A 66 3.904 9.609 -9.200 1.00 0.00 C ATOM 801 O GLY A 66 3.799 10.465 -10.081 1.00 0.00 O ATOM 0 H GLY A 66 3.544 8.540 -6.227 1.00 0.00 H new ATOM 0 HA2 GLY A 66 2.244 10.290 -8.009 1.00 0.00 H new ATOM 0 HA3 GLY A 66 3.806 10.500 -7.242 1.00 0.00 H new ATOM 805 N GLY A 67 4.577 8.468 -9.389 1.00 0.00 N ATOM 806 CA GLY A 67 5.229 8.071 -10.637 1.00 0.00 C ATOM 807 C GLY A 67 4.241 7.792 -11.777 1.00 0.00 C ATOM 808 O GLY A 67 4.467 8.234 -12.906 1.00 0.00 O ATOM 0 H GLY A 67 4.685 7.773 -8.650 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.916 8.859 -10.946 1.00 0.00 H new ATOM 0 HA3 GLY A 67 5.828 7.178 -10.458 1.00 0.00 H new ATOM 812 N VAL A 68 3.126 7.105 -11.486 1.00 0.00 N ATOM 813 CA VAL A 68 2.040 6.874 -12.462 1.00 0.00 C ATOM 814 C VAL A 68 1.146 8.118 -12.598 1.00 0.00 C ATOM 815 O VAL A 68 0.871 8.561 -13.715 1.00 0.00 O ATOM 816 CB VAL A 68 1.181 5.648 -12.084 1.00 0.00 C ATOM 817 CG1 VAL A 68 0.148 5.331 -13.176 1.00 0.00 C ATOM 818 CG2 VAL A 68 2.023 4.380 -11.882 1.00 0.00 C ATOM 0 H VAL A 68 2.948 6.693 -10.570 1.00 0.00 H new ATOM 0 HA VAL A 68 2.514 6.673 -13.423 1.00 0.00 H new ATOM 0 HB VAL A 68 0.690 5.918 -11.149 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -0.440 4.463 -12.879 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -0.512 6.188 -13.312 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.663 5.117 -14.113 1.00 0.00 H new ATOM 0 HG21 VAL A 68 1.370 3.548 -11.618 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.555 4.145 -12.804 1.00 0.00 H new ATOM 0 HG23 VAL A 68 2.743 4.545 -11.080 1.00 0.00 H new ATOM 828 N GLY A 69 0.729 8.707 -11.470 1.00 0.00 N ATOM 829 CA GLY A 69 -0.136 9.895 -11.409 1.00 0.00 C ATOM 830 C GLY A 69 -1.638 9.608 -11.602 1.00 0.00 C ATOM 831 O GLY A 69 -2.033 8.609 -12.210 1.00 0.00 O ATOM 0 H GLY A 69 0.991 8.361 -10.547 1.00 0.00 H new ATOM 0 HA2 GLY A 69 0.006 10.382 -10.444 1.00 0.00 H new ATOM 0 HA3 GLY A 69 0.186 10.602 -12.173 1.00 0.00 H new ATOM 835 N ALA A 70 -2.492 10.491 -11.069 1.00 0.00 N ATOM 836 CA ALA A 70 -3.951 10.317 -11.038 1.00 0.00 C ATOM 837 C ALA A 70 -4.608 10.259 -12.441 1.00 0.00 C ATOM 838 O ALA A 70 -4.236 11.007 -13.350 1.00 0.00 O ATOM 839 CB ALA A 70 -4.563 11.417 -10.168 1.00 0.00 C ATOM 0 H ALA A 70 -2.183 11.363 -10.639 1.00 0.00 H new ATOM 0 HA ALA A 70 -4.157 9.340 -10.601 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -5.646 11.297 -10.138 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -4.162 11.346 -9.157 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -4.317 12.392 -10.588 1.00 0.00 H new ATOM 845 N GLY A 71 -5.600 9.374 -12.600 1.00 0.00 N ATOM 846 CA GLY A 71 -6.393 9.138 -13.820 1.00 0.00 C ATOM 847 C GLY A 71 -6.334 7.686 -14.333 1.00 0.00 C ATOM 848 O GLY A 71 -7.346 7.154 -14.796 1.00 0.00 O ATOM 0 H GLY A 71 -5.891 8.765 -11.835 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.432 9.401 -13.622 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -6.039 9.805 -14.606 1.00 0.00 H new ATOM 852 N ALA A 72 -5.167 7.038 -14.230 1.00 0.00 N ATOM 853 CA ALA A 72 -4.954 5.607 -14.494 1.00 0.00 C ATOM 854 C ALA A 72 -5.722 4.663 -13.530 1.00 0.00 C ATOM 855 O ALA A 72 -6.400 5.098 -12.593 1.00 0.00 O ATOM 856 CB ALA A 72 -3.438 5.343 -14.462 1.00 0.00 C ATOM 0 H ALA A 72 -4.310 7.514 -13.949 1.00 0.00 H new ATOM 0 HA ALA A 72 -5.367 5.376 -15.476 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.248 4.287 -14.655 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -2.948 5.945 -15.227 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -3.043 5.609 -13.482 1.00 0.00 H new ATOM 862 N SER A 73 -5.622 3.346 -13.758 1.00 0.00 N ATOM 863 CA SER A 73 -6.268 2.329 -12.910 1.00 0.00 C ATOM 864 C SER A 73 -5.660 2.262 -11.505 1.00 0.00 C ATOM 865 O SER A 73 -4.448 2.410 -11.328 1.00 0.00 O ATOM 866 CB SER A 73 -6.166 0.947 -13.563 1.00 0.00 C ATOM 867 OG SER A 73 -7.022 0.040 -12.890 1.00 0.00 O ATOM 0 H SER A 73 -5.091 2.953 -14.535 1.00 0.00 H new ATOM 0 HA SER A 73 -7.312 2.625 -12.812 1.00 0.00 H new ATOM 0 HB2 SER A 73 -6.441 1.010 -14.616 1.00 0.00 H new ATOM 0 HB3 SER A 73 -5.137 0.590 -13.523 1.00 0.00 H new ATOM 0 HG SER A 73 -6.957 -0.843 -13.309 1.00 0.00 H new ATOM 872 N ALA A 74 -6.485 1.939 -10.506 1.00 0.00 N ATOM 873 CA ALA A 74 -6.034 1.665 -9.142 1.00 0.00 C ATOM 874 C ALA A 74 -4.981 0.547 -9.071 1.00 0.00 C ATOM 875 O ALA A 74 -4.039 0.645 -8.287 1.00 0.00 O ATOM 876 CB ALA A 74 -7.255 1.306 -8.301 1.00 0.00 C ATOM 0 H ALA A 74 -7.495 1.860 -10.624 1.00 0.00 H new ATOM 0 HA ALA A 74 -5.545 2.559 -8.755 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -6.943 1.097 -7.278 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -7.957 2.140 -8.303 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -7.739 0.424 -8.720 1.00 0.00 H new ATOM 882 N SER A 75 -5.088 -0.482 -9.918 1.00 0.00 N ATOM 883 CA SER A 75 -4.088 -1.555 -10.014 1.00 0.00 C ATOM 884 C SER A 75 -2.705 -1.070 -10.462 1.00 0.00 C ATOM 885 O SER A 75 -1.715 -1.709 -10.118 1.00 0.00 O ATOM 886 CB SER A 75 -4.560 -2.662 -10.963 1.00 0.00 C ATOM 887 OG SER A 75 -5.729 -3.286 -10.455 1.00 0.00 O ATOM 0 H SER A 75 -5.873 -0.596 -10.559 1.00 0.00 H new ATOM 0 HA SER A 75 -3.985 -1.943 -9.001 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.763 -2.242 -11.948 1.00 0.00 H new ATOM 0 HB3 SER A 75 -3.770 -3.403 -11.089 1.00 0.00 H new ATOM 0 HG SER A 75 -6.019 -3.989 -11.073 1.00 0.00 H new ATOM 892 N ALA A 76 -2.593 0.050 -11.187 1.00 0.00 N ATOM 893 CA ALA A 76 -1.298 0.643 -11.545 1.00 0.00 C ATOM 894 C ALA A 76 -0.626 1.322 -10.334 1.00 0.00 C ATOM 895 O ALA A 76 0.580 1.182 -10.120 1.00 0.00 O ATOM 896 CB ALA A 76 -1.511 1.634 -12.699 1.00 0.00 C ATOM 0 H ALA A 76 -3.396 0.570 -11.541 1.00 0.00 H new ATOM 0 HA ALA A 76 -0.620 -0.147 -11.867 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.556 2.082 -12.975 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -1.927 1.108 -13.558 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -2.201 2.416 -12.384 1.00 0.00 H new ATOM 902 N TYR A 77 -1.416 2.004 -9.501 1.00 0.00 N ATOM 903 CA TYR A 77 -0.960 2.623 -8.251 1.00 0.00 C ATOM 904 C TYR A 77 -0.587 1.568 -7.221 1.00 0.00 C ATOM 905 O TYR A 77 0.501 1.593 -6.653 1.00 0.00 O ATOM 906 CB TYR A 77 -2.092 3.486 -7.680 1.00 0.00 C ATOM 907 CG TYR A 77 -2.659 4.525 -8.617 1.00 0.00 C ATOM 908 CD1 TYR A 77 -1.917 5.021 -9.704 1.00 0.00 C ATOM 909 CD2 TYR A 77 -3.980 4.950 -8.410 1.00 0.00 C ATOM 910 CE1 TYR A 77 -2.523 5.898 -10.609 1.00 0.00 C ATOM 911 CE2 TYR A 77 -4.591 5.840 -9.305 1.00 0.00 C ATOM 912 CZ TYR A 77 -3.859 6.297 -10.415 1.00 0.00 C ATOM 913 OH TYR A 77 -4.424 7.139 -11.299 1.00 0.00 O ATOM 0 H TYR A 77 -2.410 2.145 -9.679 1.00 0.00 H new ATOM 0 HA TYR A 77 -0.080 3.228 -8.468 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -2.901 2.828 -7.364 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -1.724 3.991 -6.787 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -0.887 4.727 -9.839 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -4.531 4.589 -7.554 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -1.966 6.269 -11.457 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -5.607 6.169 -9.144 1.00 0.00 H new ATOM 0 HH TYR A 77 -3.724 7.646 -11.762 1.00 0.00 H new ATOM 922 N ALA A 78 -1.480 0.601 -7.030 1.00 0.00 N ATOM 923 CA ALA A 78 -1.287 -0.530 -6.149 1.00 0.00 C ATOM 924 C ALA A 78 -0.087 -1.397 -6.577 1.00 0.00 C ATOM 925 O ALA A 78 0.663 -1.842 -5.714 1.00 0.00 O ATOM 926 CB ALA A 78 -2.604 -1.297 -6.121 1.00 0.00 C ATOM 0 H ALA A 78 -2.384 0.589 -7.502 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.033 -0.201 -5.141 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.507 -2.163 -5.466 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.396 -0.647 -5.748 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.853 -1.630 -7.129 1.00 0.00 H new ATOM 932 N ASN A 79 0.187 -1.529 -7.885 1.00 0.00 N ATOM 933 CA ASN A 79 1.448 -2.087 -8.392 1.00 0.00 C ATOM 934 C ASN A 79 2.661 -1.271 -7.939 1.00 0.00 C ATOM 935 O ASN A 79 3.631 -1.858 -7.473 1.00 0.00 O ATOM 936 CB ASN A 79 1.452 -2.171 -9.932 1.00 0.00 C ATOM 937 CG ASN A 79 1.172 -3.573 -10.441 1.00 0.00 C ATOM 938 OD1 ASN A 79 1.999 -4.470 -10.337 1.00 0.00 O ATOM 939 ND2 ASN A 79 0.019 -3.802 -11.018 1.00 0.00 N ATOM 0 H ASN A 79 -0.462 -1.251 -8.621 1.00 0.00 H new ATOM 0 HA ASN A 79 1.522 -3.091 -7.974 1.00 0.00 H new ATOM 0 HB2 ASN A 79 0.703 -1.487 -10.331 1.00 0.00 H new ATOM 0 HB3 ASN A 79 2.420 -1.839 -10.308 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -0.193 -4.731 -11.383 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -0.667 -3.052 -11.102 1.00 0.00 H new ATOM 945 N ALA A 80 2.621 0.061 -8.049 1.00 0.00 N ATOM 946 CA ALA A 80 3.712 0.916 -7.589 1.00 0.00 C ATOM 947 C ALA A 80 3.951 0.790 -6.073 1.00 0.00 C ATOM 948 O ALA A 80 5.103 0.791 -5.644 1.00 0.00 O ATOM 949 CB ALA A 80 3.440 2.363 -8.014 1.00 0.00 C ATOM 0 H ALA A 80 1.837 0.570 -8.456 1.00 0.00 H new ATOM 0 HA ALA A 80 4.637 0.583 -8.060 1.00 0.00 H new ATOM 0 HB1 ALA A 80 4.254 3.002 -7.671 1.00 0.00 H new ATOM 0 HB2 ALA A 80 3.370 2.416 -9.100 1.00 0.00 H new ATOM 0 HB3 ALA A 80 2.502 2.702 -7.573 1.00 0.00 H new ATOM 955 N ILE A 81 2.898 0.604 -5.265 1.00 0.00 N ATOM 956 CA ILE A 81 3.041 0.380 -3.816 1.00 0.00 C ATOM 957 C ILE A 81 3.563 -1.029 -3.524 1.00 0.00 C ATOM 958 O ILE A 81 4.487 -1.189 -2.732 1.00 0.00 O ATOM 959 CB ILE A 81 1.727 0.639 -3.039 1.00 0.00 C ATOM 960 CG1 ILE A 81 1.009 1.966 -3.378 1.00 0.00 C ATOM 961 CG2 ILE A 81 2.034 0.591 -1.530 1.00 0.00 C ATOM 962 CD1 ILE A 81 1.909 3.148 -3.762 1.00 0.00 C ATOM 0 H ILE A 81 1.932 0.604 -5.591 1.00 0.00 H new ATOM 0 HA ILE A 81 3.773 1.107 -3.464 1.00 0.00 H new ATOM 0 HB ILE A 81 1.034 -0.144 -3.346 1.00 0.00 H new ATOM 0 HG12 ILE A 81 0.318 1.781 -4.201 1.00 0.00 H new ATOM 0 HG13 ILE A 81 0.408 2.259 -2.517 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.119 0.772 -0.967 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.432 -0.390 -1.271 1.00 0.00 H new ATOM 0 HG23 ILE A 81 2.769 1.357 -1.284 1.00 0.00 H new ATOM 0 HD11 ILE A 81 1.292 4.020 -3.977 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.583 3.375 -2.936 1.00 0.00 H new ATOM 0 HD13 ILE A 81 2.492 2.889 -4.646 1.00 0.00 H new ATOM 973 N ALA A 82 3.044 -2.050 -4.207 1.00 0.00 N ATOM 974 CA ALA A 82 3.520 -3.426 -4.105 1.00 0.00 C ATOM 975 C ALA A 82 4.983 -3.580 -4.563 1.00 0.00 C ATOM 976 O ALA A 82 5.721 -4.378 -3.990 1.00 0.00 O ATOM 977 CB ALA A 82 2.578 -4.317 -4.916 1.00 0.00 C ATOM 0 H ALA A 82 2.267 -1.940 -4.858 1.00 0.00 H new ATOM 0 HA ALA A 82 3.511 -3.730 -3.058 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.914 -5.352 -4.855 1.00 0.00 H new ATOM 0 HB2 ALA A 82 1.568 -4.239 -4.514 1.00 0.00 H new ATOM 0 HB3 ALA A 82 2.580 -3.996 -5.958 1.00 0.00 H new ATOM 983 N ARG A 83 5.426 -2.784 -5.546 1.00 0.00 N ATOM 984 CA ARG A 83 6.831 -2.635 -5.954 1.00 0.00 C ATOM 985 C ARG A 83 7.660 -1.843 -4.947 1.00 0.00 C ATOM 986 O ARG A 83 8.756 -2.281 -4.628 1.00 0.00 O ATOM 987 CB ARG A 83 6.917 -1.965 -7.338 1.00 0.00 C ATOM 988 CG ARG A 83 6.902 -3.000 -8.472 1.00 0.00 C ATOM 989 CD ARG A 83 6.694 -2.313 -9.829 1.00 0.00 C ATOM 990 NE ARG A 83 7.282 -3.096 -10.936 1.00 0.00 N ATOM 991 CZ ARG A 83 6.984 -3.005 -12.220 1.00 0.00 C ATOM 992 NH1 ARG A 83 6.016 -2.250 -12.660 1.00 0.00 N ATOM 993 NH2 ARG A 83 7.670 -3.673 -13.103 1.00 0.00 N ATOM 0 H ARG A 83 4.794 -2.205 -6.099 1.00 0.00 H new ATOM 0 HA ARG A 83 7.251 -3.640 -6.000 1.00 0.00 H new ATOM 0 HB2 ARG A 83 6.080 -1.277 -7.462 1.00 0.00 H new ATOM 0 HB3 ARG A 83 7.829 -1.372 -7.399 1.00 0.00 H new ATOM 0 HG2 ARG A 83 7.841 -3.553 -8.479 1.00 0.00 H new ATOM 0 HG3 ARG A 83 6.106 -3.725 -8.300 1.00 0.00 H new ATOM 0 HD2 ARG A 83 5.627 -2.176 -10.007 1.00 0.00 H new ATOM 0 HD3 ARG A 83 7.144 -1.320 -9.807 1.00 0.00 H new ATOM 0 HE ARG A 83 7.994 -3.780 -10.681 1.00 0.00 H new ATOM 0 HH11 ARG A 83 5.458 -1.703 -12.005 1.00 0.00 H new ATOM 0 HH12 ARG A 83 5.817 -2.207 -13.659 1.00 0.00 H new ATOM 0 HH21 ARG A 83 8.441 -4.270 -12.804 1.00 0.00 H new ATOM 0 HH22 ARG A 83 7.436 -3.599 -14.093 1.00 0.00 H new ATOM 1004 N ALA A 84 7.179 -0.718 -4.420 1.00 0.00 N ATOM 1005 CA ALA A 84 7.930 0.073 -3.441 1.00 0.00 C ATOM 1006 C ALA A 84 8.102 -0.660 -2.101 1.00 0.00 C ATOM 1007 O ALA A 84 9.200 -0.688 -1.556 1.00 0.00 O ATOM 1008 CB ALA A 84 7.247 1.428 -3.252 1.00 0.00 C ATOM 0 H ALA A 84 6.266 -0.330 -4.656 1.00 0.00 H new ATOM 0 HA ALA A 84 8.936 0.228 -3.830 1.00 0.00 H new ATOM 0 HB1 ALA A 84 7.804 2.018 -2.524 1.00 0.00 H new ATOM 0 HB2 ALA A 84 7.220 1.958 -4.204 1.00 0.00 H new ATOM 0 HB3 ALA A 84 6.229 1.275 -2.893 1.00 0.00 H new ATOM 1014 N ALA A 85 7.052 -1.309 -1.594 1.00 0.00 N ATOM 1015 CA ALA A 85 7.128 -2.178 -0.424 1.00 0.00 C ATOM 1016 C ALA A 85 7.892 -3.481 -0.729 1.00 0.00 C ATOM 1017 O ALA A 85 8.751 -3.893 0.048 1.00 0.00 O ATOM 1018 CB ALA A 85 5.701 -2.457 0.056 1.00 0.00 C ATOM 0 H ALA A 85 6.115 -1.243 -1.991 1.00 0.00 H new ATOM 0 HA ALA A 85 7.690 -1.680 0.366 1.00 0.00 H new ATOM 0 HB1 ALA A 85 5.732 -3.106 0.931 1.00 0.00 H new ATOM 0 HB2 ALA A 85 5.215 -1.517 0.318 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.139 -2.947 -0.739 1.00 0.00 H new ATOM 1024 N GLY A 86 7.636 -4.101 -1.887 1.00 0.00 N ATOM 1025 CA GLY A 86 8.329 -5.305 -2.347 1.00 0.00 C ATOM 1026 C GLY A 86 9.839 -5.110 -2.470 1.00 0.00 C ATOM 1027 O GLY A 86 10.592 -5.872 -1.872 1.00 0.00 O ATOM 0 H GLY A 86 6.927 -3.771 -2.542 1.00 0.00 H new ATOM 0 HA2 GLY A 86 8.128 -6.121 -1.653 1.00 0.00 H new ATOM 0 HA3 GLY A 86 7.926 -5.603 -3.315 1.00 0.00 H new ATOM 1031 N GLN A 87 10.293 -4.049 -3.151 1.00 0.00 N ATOM 1032 CA GLN A 87 11.716 -3.701 -3.253 1.00 0.00 C ATOM 1033 C GLN A 87 12.338 -3.447 -1.877 1.00 0.00 C ATOM 1034 O GLN A 87 13.487 -3.826 -1.661 1.00 0.00 O ATOM 1035 CB GLN A 87 11.971 -2.545 -4.251 1.00 0.00 C ATOM 1036 CG GLN A 87 11.966 -1.101 -3.703 1.00 0.00 C ATOM 1037 CD GLN A 87 13.311 -0.657 -3.115 1.00 0.00 C ATOM 1038 OE1 GLN A 87 13.487 -0.509 -1.914 1.00 0.00 O ATOM 1039 NE2 GLN A 87 14.314 -0.414 -3.933 1.00 0.00 N ATOM 0 H GLN A 87 9.679 -3.405 -3.649 1.00 0.00 H new ATOM 0 HA GLN A 87 12.228 -4.569 -3.669 1.00 0.00 H new ATOM 0 HB2 GLN A 87 12.937 -2.719 -4.724 1.00 0.00 H new ATOM 0 HB3 GLN A 87 11.216 -2.608 -5.035 1.00 0.00 H new ATOM 0 HG2 GLN A 87 11.688 -0.419 -4.506 1.00 0.00 H new ATOM 0 HG3 GLN A 87 11.198 -1.017 -2.934 1.00 0.00 H new ATOM 0 HE21 GLN A 87 14.191 -0.530 -4.939 1.00 0.00 H new ATOM 0 HE22 GLN A 87 15.213 -0.109 -3.561 1.00 0.00 H new ATOM 1046 N PHE A 88 11.581 -2.864 -0.939 1.00 0.00 N ATOM 1047 CA PHE A 88 12.048 -2.583 0.421 1.00 0.00 C ATOM 1048 C PHE A 88 12.361 -3.876 1.174 1.00 0.00 C ATOM 1049 O PHE A 88 13.430 -4.020 1.769 1.00 0.00 O ATOM 1050 CB PHE A 88 10.995 -1.749 1.175 1.00 0.00 C ATOM 1051 CG PHE A 88 11.556 -0.723 2.137 1.00 0.00 C ATOM 1052 CD1 PHE A 88 12.481 0.233 1.676 1.00 0.00 C ATOM 1053 CD2 PHE A 88 11.083 -0.655 3.461 1.00 0.00 C ATOM 1054 CE1 PHE A 88 12.953 1.237 2.539 1.00 0.00 C ATOM 1055 CE2 PHE A 88 11.554 0.354 4.319 1.00 0.00 C ATOM 1056 CZ PHE A 88 12.490 1.297 3.863 1.00 0.00 C ATOM 0 H PHE A 88 10.618 -2.572 -1.106 1.00 0.00 H new ATOM 0 HA PHE A 88 12.972 -2.008 0.359 1.00 0.00 H new ATOM 0 HB2 PHE A 88 10.370 -1.235 0.444 1.00 0.00 H new ATOM 0 HB3 PHE A 88 10.346 -2.427 1.729 1.00 0.00 H new ATOM 0 HD1 PHE A 88 12.830 0.195 0.654 1.00 0.00 H new ATOM 0 HD2 PHE A 88 10.361 -1.375 3.816 1.00 0.00 H new ATOM 0 HE1 PHE A 88 13.671 1.961 2.184 1.00 0.00 H new ATOM 0 HE2 PHE A 88 11.194 0.405 5.336 1.00 0.00 H new ATOM 0 HZ PHE A 88 12.852 2.066 4.529 1.00 0.00 H new ATOM 1065 N LEU A 89 11.443 -4.838 1.128 1.00 0.00 N ATOM 1066 CA LEU A 89 11.584 -6.129 1.797 1.00 0.00 C ATOM 1067 C LEU A 89 12.577 -7.043 1.050 1.00 0.00 C ATOM 1068 O LEU A 89 13.301 -7.813 1.680 1.00 0.00 O ATOM 1069 CB LEU A 89 10.181 -6.745 1.938 1.00 0.00 C ATOM 1070 CG LEU A 89 9.182 -5.864 2.722 1.00 0.00 C ATOM 1071 CD1 LEU A 89 7.779 -6.425 2.546 1.00 0.00 C ATOM 1072 CD2 LEU A 89 9.485 -5.766 4.214 1.00 0.00 C ATOM 0 H LEU A 89 10.566 -4.741 0.617 1.00 0.00 H new ATOM 0 HA LEU A 89 12.010 -6.001 2.792 1.00 0.00 H new ATOM 0 HB2 LEU A 89 9.778 -6.936 0.943 1.00 0.00 H new ATOM 0 HB3 LEU A 89 10.268 -7.710 2.437 1.00 0.00 H new ATOM 0 HG LEU A 89 9.271 -4.857 2.313 1.00 0.00 H new ATOM 0 HD11 LEU A 89 7.069 -5.808 3.097 1.00 0.00 H new ATOM 0 HD12 LEU A 89 7.517 -6.424 1.488 1.00 0.00 H new ATOM 0 HD13 LEU A 89 7.745 -7.446 2.927 1.00 0.00 H new ATOM 0 HD21 LEU A 89 8.741 -5.131 4.695 1.00 0.00 H new ATOM 0 HD22 LEU A 89 9.455 -6.761 4.658 1.00 0.00 H new ATOM 0 HD23 LEU A 89 10.476 -5.335 4.356 1.00 0.00 H new ATOM 1083 N ALA A 90 12.673 -6.920 -0.276 1.00 0.00 N ATOM 1084 CA ALA A 90 13.676 -7.581 -1.108 1.00 0.00 C ATOM 1085 C ALA A 90 15.109 -7.103 -0.807 1.00 0.00 C ATOM 1086 O ALA A 90 15.989 -7.932 -0.581 1.00 0.00 O ATOM 1087 CB ALA A 90 13.326 -7.339 -2.577 1.00 0.00 C ATOM 0 H ALA A 90 12.033 -6.338 -0.816 1.00 0.00 H new ATOM 0 HA ALA A 90 13.659 -8.647 -0.881 1.00 0.00 H new ATOM 0 HB1 ALA A 90 14.066 -7.826 -3.212 1.00 0.00 H new ATOM 0 HB2 ALA A 90 12.339 -7.750 -2.788 1.00 0.00 H new ATOM 0 HB3 ALA A 90 13.324 -6.268 -2.779 1.00 0.00 H new ATOM 1093 N THR A 91 15.358 -5.786 -0.753 1.00 0.00 N ATOM 1094 CA THR A 91 16.686 -5.239 -0.400 1.00 0.00 C ATOM 1095 C THR A 91 17.077 -5.564 1.051 1.00 0.00 C ATOM 1096 O THR A 91 18.240 -5.849 1.338 1.00 0.00 O ATOM 1097 CB THR A 91 16.805 -3.733 -0.711 1.00 0.00 C ATOM 1098 OG1 THR A 91 18.159 -3.348 -0.641 1.00 0.00 O ATOM 1099 CG2 THR A 91 16.041 -2.789 0.219 1.00 0.00 C ATOM 0 H THR A 91 14.656 -5.073 -0.950 1.00 0.00 H new ATOM 0 HA THR A 91 17.408 -5.743 -1.042 1.00 0.00 H new ATOM 0 HB THR A 91 16.362 -3.634 -1.702 1.00 0.00 H new ATOM 0 HG1 THR A 91 18.238 -2.392 -0.840 1.00 0.00 H new ATOM 0 HG21 THR A 91 16.200 -1.758 -0.098 1.00 0.00 H new ATOM 0 HG22 THR A 91 14.977 -3.021 0.179 1.00 0.00 H new ATOM 0 HG23 THR A 91 16.401 -2.914 1.240 1.00 0.00 H new ATOM 1107 N GLN A 92 16.093 -5.635 1.957 1.00 0.00 N ATOM 1108 CA GLN A 92 16.268 -6.110 3.339 1.00 0.00 C ATOM 1109 C GLN A 92 16.433 -7.641 3.459 1.00 0.00 C ATOM 1110 O GLN A 92 16.713 -8.139 4.552 1.00 0.00 O ATOM 1111 CB GLN A 92 15.083 -5.615 4.191 1.00 0.00 C ATOM 1112 CG GLN A 92 15.220 -4.114 4.487 1.00 0.00 C ATOM 1113 CD GLN A 92 13.970 -3.523 5.130 1.00 0.00 C ATOM 1114 OE1 GLN A 92 13.746 -3.598 6.331 1.00 0.00 O ATOM 1115 NE2 GLN A 92 13.125 -2.888 4.354 1.00 0.00 N ATOM 0 H GLN A 92 15.134 -5.359 1.747 1.00 0.00 H new ATOM 0 HA GLN A 92 17.205 -5.693 3.709 1.00 0.00 H new ATOM 0 HB2 GLN A 92 14.147 -5.804 3.666 1.00 0.00 H new ATOM 0 HB3 GLN A 92 15.042 -6.173 5.126 1.00 0.00 H new ATOM 0 HG2 GLN A 92 16.073 -3.955 5.147 1.00 0.00 H new ATOM 0 HG3 GLN A 92 15.432 -3.583 3.559 1.00 0.00 H new ATOM 0 HE21 GLN A 92 13.304 -2.821 3.352 1.00 0.00 H new ATOM 0 HE22 GLN A 92 12.289 -2.461 4.752 1.00 0.00 H new ATOM 1122 N GLY A 93 16.262 -8.404 2.371 1.00 0.00 N ATOM 1123 CA GLY A 93 16.289 -9.873 2.371 1.00 0.00 C ATOM 1124 C GLY A 93 15.206 -10.529 3.244 1.00 0.00 C ATOM 1125 O GLY A 93 15.333 -11.696 3.613 1.00 0.00 O ATOM 0 H GLY A 93 16.097 -8.008 1.445 1.00 0.00 H new ATOM 0 HA2 GLY A 93 16.175 -10.226 1.346 1.00 0.00 H new ATOM 0 HA3 GLY A 93 17.268 -10.206 2.716 1.00 0.00 H new ATOM 1129 N VAL A 94 14.143 -9.787 3.581 1.00 0.00 N ATOM 1130 CA VAL A 94 12.934 -10.287 4.263 1.00 0.00 C ATOM 1131 C VAL A 94 12.146 -11.246 3.360 1.00 0.00 C ATOM 1132 O VAL A 94 11.439 -12.125 3.852 1.00 0.00 O ATOM 1133 CB VAL A 94 12.075 -9.090 4.734 1.00 0.00 C ATOM 1134 CG1 VAL A 94 10.633 -9.441 5.124 1.00 0.00 C ATOM 1135 CG2 VAL A 94 12.736 -8.427 5.949 1.00 0.00 C ATOM 0 H VAL A 94 14.096 -8.788 3.381 1.00 0.00 H new ATOM 0 HA VAL A 94 13.228 -10.862 5.141 1.00 0.00 H new ATOM 0 HB VAL A 94 12.021 -8.426 3.871 1.00 0.00 H new ATOM 0 HG11 VAL A 94 10.111 -8.538 5.440 1.00 0.00 H new ATOM 0 HG12 VAL A 94 10.120 -9.875 4.266 1.00 0.00 H new ATOM 0 HG13 VAL A 94 10.642 -10.160 5.943 1.00 0.00 H new ATOM 0 HG21 VAL A 94 12.129 -7.584 6.279 1.00 0.00 H new ATOM 0 HG22 VAL A 94 12.820 -9.152 6.758 1.00 0.00 H new ATOM 0 HG23 VAL A 94 13.730 -8.073 5.675 1.00 0.00 H new ATOM 1145 N LEU A 95 12.301 -11.111 2.039 1.00 0.00 N ATOM 1146 CA LEU A 95 11.657 -11.955 1.034 1.00 0.00 C ATOM 1147 C LEU A 95 12.574 -13.114 0.617 1.00 0.00 C ATOM 1148 O LEU A 95 13.705 -12.906 0.172 1.00 0.00 O ATOM 1149 CB LEU A 95 11.252 -11.077 -0.160 1.00 0.00 C ATOM 1150 CG LEU A 95 10.354 -9.880 0.204 1.00 0.00 C ATOM 1151 CD1 LEU A 95 9.806 -9.227 -1.062 1.00 0.00 C ATOM 1152 CD2 LEU A 95 9.190 -10.249 1.123 1.00 0.00 C ATOM 0 H LEU A 95 12.896 -10.390 1.630 1.00 0.00 H new ATOM 0 HA LEU A 95 10.760 -12.412 1.453 1.00 0.00 H new ATOM 0 HB2 LEU A 95 12.155 -10.704 -0.643 1.00 0.00 H new ATOM 0 HB3 LEU A 95 10.732 -11.696 -0.891 1.00 0.00 H new ATOM 0 HG LEU A 95 10.988 -9.183 0.752 1.00 0.00 H new ATOM 0 HD11 LEU A 95 9.173 -8.382 -0.791 1.00 0.00 H new ATOM 0 HD12 LEU A 95 10.634 -8.877 -1.678 1.00 0.00 H new ATOM 0 HD13 LEU A 95 9.219 -9.955 -1.622 1.00 0.00 H new ATOM 0 HD21 LEU A 95 8.600 -9.358 1.338 1.00 0.00 H new ATOM 0 HD22 LEU A 95 8.561 -10.992 0.633 1.00 0.00 H new ATOM 0 HD23 LEU A 95 9.578 -10.661 2.055 1.00 0.00 H new ATOM 1163 N ASN A 96 12.059 -14.340 0.748 1.00 0.00 N ATOM 1164 CA ASN A 96 12.770 -15.599 0.509 1.00 0.00 C ATOM 1165 C ASN A 96 11.905 -16.541 -0.346 1.00 0.00 C ATOM 1166 O ASN A 96 10.678 -16.529 -0.220 1.00 0.00 O ATOM 1167 CB ASN A 96 13.079 -16.289 1.860 1.00 0.00 C ATOM 1168 CG ASN A 96 13.352 -15.351 3.025 1.00 0.00 C ATOM 1169 OD1 ASN A 96 14.455 -14.861 3.217 1.00 0.00 O ATOM 1170 ND2 ASN A 96 12.356 -15.087 3.844 1.00 0.00 N ATOM 0 H ASN A 96 11.092 -14.488 1.036 1.00 0.00 H new ATOM 0 HA ASN A 96 13.699 -15.381 -0.017 1.00 0.00 H new ATOM 0 HB2 ASN A 96 12.237 -16.930 2.122 1.00 0.00 H new ATOM 0 HB3 ASN A 96 13.945 -16.938 1.727 1.00 0.00 H new ATOM 0 HD21 ASN A 96 12.503 -14.471 4.643 1.00 0.00 H new ATOM 0 HD22 ASN A 96 11.437 -15.499 3.679 1.00 0.00 H new ATOM 1176 N ALA A 97 12.516 -17.439 -1.122 1.00 0.00 N ATOM 1177 CA ALA A 97 11.805 -18.445 -1.932 1.00 0.00 C ATOM 1178 C ALA A 97 10.829 -19.344 -1.135 1.00 0.00 C ATOM 1179 O ALA A 97 9.930 -19.954 -1.719 1.00 0.00 O ATOM 1180 CB ALA A 97 12.848 -19.294 -2.668 1.00 0.00 C ATOM 0 H ALA A 97 13.531 -17.493 -1.210 1.00 0.00 H new ATOM 0 HA ALA A 97 11.168 -17.904 -2.631 1.00 0.00 H new ATOM 0 HB1 ALA A 97 12.343 -20.046 -3.274 1.00 0.00 H new ATOM 0 HB2 ALA A 97 13.450 -18.653 -3.312 1.00 0.00 H new ATOM 0 HB3 ALA A 97 13.494 -19.787 -1.942 1.00 0.00 H new ATOM 1186 N VAL A 98 10.981 -19.396 0.197 1.00 0.00 N ATOM 1187 CA VAL A 98 10.078 -20.037 1.174 1.00 0.00 C ATOM 1188 C VAL A 98 8.605 -19.696 0.904 1.00 0.00 C ATOM 1189 O VAL A 98 7.772 -20.598 0.804 1.00 0.00 O ATOM 1190 CB VAL A 98 10.455 -19.600 2.612 1.00 0.00 C ATOM 1191 CG1 VAL A 98 9.599 -20.284 3.683 1.00 0.00 C ATOM 1192 CG2 VAL A 98 11.922 -19.898 2.953 1.00 0.00 C ATOM 0 H VAL A 98 11.786 -18.966 0.652 1.00 0.00 H new ATOM 0 HA VAL A 98 10.198 -21.115 1.070 1.00 0.00 H new ATOM 0 HB VAL A 98 10.276 -18.525 2.620 1.00 0.00 H new ATOM 0 HG11 VAL A 98 9.908 -19.940 4.670 1.00 0.00 H new ATOM 0 HG12 VAL A 98 8.550 -20.035 3.524 1.00 0.00 H new ATOM 0 HG13 VAL A 98 9.730 -21.364 3.618 1.00 0.00 H new ATOM 0 HG21 VAL A 98 12.132 -19.572 3.972 1.00 0.00 H new ATOM 0 HG22 VAL A 98 12.104 -20.969 2.870 1.00 0.00 H new ATOM 0 HG23 VAL A 98 12.572 -19.365 2.260 1.00 0.00 H new ATOM 1202 N ASN A 99 8.296 -18.397 0.786 1.00 0.00 N ATOM 1203 CA ASN A 99 6.943 -17.854 0.579 1.00 0.00 C ATOM 1204 C ASN A 99 6.919 -16.343 0.252 1.00 0.00 C ATOM 1205 O ASN A 99 5.941 -15.674 0.569 1.00 0.00 O ATOM 1206 CB ASN A 99 6.005 -18.228 1.762 1.00 0.00 C ATOM 1207 CG ASN A 99 6.535 -18.008 3.171 1.00 0.00 C ATOM 1208 OD1 ASN A 99 6.296 -18.802 4.068 1.00 0.00 O ATOM 1209 ND2 ASN A 99 7.260 -16.948 3.444 1.00 0.00 N ATOM 0 H ASN A 99 9.007 -17.667 0.834 1.00 0.00 H new ATOM 0 HA ASN A 99 6.552 -18.333 -0.319 1.00 0.00 H new ATOM 0 HB2 ASN A 99 5.083 -17.656 1.655 1.00 0.00 H new ATOM 0 HB3 ASN A 99 5.740 -19.281 1.662 1.00 0.00 H new ATOM 0 HD21 ASN A 99 7.612 -16.800 4.390 1.00 0.00 H new ATOM 0 HD22 ASN A 99 7.472 -16.272 2.710 1.00 0.00 H new ATOM 1215 N ALA A 100 7.969 -15.765 -0.348 1.00 0.00 N ATOM 1216 CA ALA A 100 7.987 -14.354 -0.772 1.00 0.00 C ATOM 1217 C ALA A 100 6.765 -13.962 -1.613 1.00 0.00 C ATOM 1218 O ALA A 100 6.220 -12.875 -1.435 1.00 0.00 O ATOM 1219 CB ALA A 100 9.252 -14.072 -1.580 1.00 0.00 C ATOM 0 H ALA A 100 8.835 -16.264 -0.555 1.00 0.00 H new ATOM 0 HA ALA A 100 7.964 -13.757 0.139 1.00 0.00 H new ATOM 0 HB1 ALA A 100 9.260 -13.027 -1.891 1.00 0.00 H new ATOM 0 HB2 ALA A 100 10.129 -14.274 -0.965 1.00 0.00 H new ATOM 0 HB3 ALA A 100 9.271 -14.713 -2.461 1.00 0.00 H new ATOM 1225 N SER A 101 6.296 -14.869 -2.474 1.00 0.00 N ATOM 1226 CA SER A 101 5.037 -14.725 -3.202 1.00 0.00 C ATOM 1227 C SER A 101 3.888 -14.466 -2.227 1.00 0.00 C ATOM 1228 O SER A 101 3.352 -13.366 -2.189 1.00 0.00 O ATOM 1229 CB SER A 101 4.756 -15.945 -4.102 1.00 0.00 C ATOM 1230 OG SER A 101 5.949 -16.645 -4.440 1.00 0.00 O ATOM 0 H SER A 101 6.789 -15.736 -2.687 1.00 0.00 H new ATOM 0 HA SER A 101 5.123 -13.863 -3.863 1.00 0.00 H new ATOM 0 HB2 SER A 101 4.071 -16.622 -3.592 1.00 0.00 H new ATOM 0 HB3 SER A 101 4.258 -15.616 -5.014 1.00 0.00 H new ATOM 0 HG SER A 101 5.728 -17.412 -5.009 1.00 0.00 H new ATOM 1235 N SER A 102 3.569 -15.422 -1.352 1.00 0.00 N ATOM 1236 CA SER A 102 2.464 -15.321 -0.386 1.00 0.00 C ATOM 1237 C SER A 102 2.626 -14.196 0.650 1.00 0.00 C ATOM 1238 O SER A 102 1.629 -13.601 1.059 1.00 0.00 O ATOM 1239 CB SER A 102 2.272 -16.661 0.330 1.00 0.00 C ATOM 1240 OG SER A 102 2.100 -17.705 -0.620 1.00 0.00 O ATOM 0 H SER A 102 4.077 -16.304 -1.291 1.00 0.00 H new ATOM 0 HA SER A 102 1.581 -15.065 -0.971 1.00 0.00 H new ATOM 0 HB2 SER A 102 3.136 -16.872 0.960 1.00 0.00 H new ATOM 0 HB3 SER A 102 1.403 -16.610 0.986 1.00 0.00 H new ATOM 0 HG SER A 102 1.980 -18.557 -0.151 1.00 0.00 H new ATOM 1245 N LEU A 103 3.854 -13.834 1.038 1.00 0.00 N ATOM 1246 CA LEU A 103 4.132 -12.657 1.878 1.00 0.00 C ATOM 1247 C LEU A 103 3.729 -11.336 1.193 1.00 0.00 C ATOM 1248 O LEU A 103 3.380 -10.377 1.879 1.00 0.00 O ATOM 1249 CB LEU A 103 5.617 -12.622 2.285 1.00 0.00 C ATOM 1250 CG LEU A 103 6.043 -13.677 3.323 1.00 0.00 C ATOM 1251 CD1 LEU A 103 7.557 -13.586 3.536 1.00 0.00 C ATOM 1252 CD2 LEU A 103 5.362 -13.485 4.680 1.00 0.00 C ATOM 0 H LEU A 103 4.693 -14.353 0.777 1.00 0.00 H new ATOM 0 HA LEU A 103 3.519 -12.753 2.774 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.225 -12.752 1.390 1.00 0.00 H new ATOM 0 HB3 LEU A 103 5.844 -11.633 2.683 1.00 0.00 H new ATOM 0 HG LEU A 103 5.745 -14.649 2.930 1.00 0.00 H new ATOM 0 HD11 LEU A 103 7.867 -14.330 4.270 1.00 0.00 H new ATOM 0 HD12 LEU A 103 8.069 -13.772 2.592 1.00 0.00 H new ATOM 0 HD13 LEU A 103 7.814 -12.591 3.898 1.00 0.00 H new ATOM 0 HD21 LEU A 103 5.701 -14.258 5.370 1.00 0.00 H new ATOM 0 HD22 LEU A 103 5.618 -12.504 5.080 1.00 0.00 H new ATOM 0 HD23 LEU A 103 4.281 -13.557 4.558 1.00 0.00 H new ATOM 1263 N GLY A 104 3.695 -11.293 -0.141 1.00 0.00 N ATOM 1264 CA GLY A 104 3.114 -10.186 -0.904 1.00 0.00 C ATOM 1265 C GLY A 104 1.643 -9.941 -0.575 1.00 0.00 C ATOM 1266 O GLY A 104 1.212 -8.796 -0.421 1.00 0.00 O ATOM 0 H GLY A 104 4.075 -12.035 -0.729 1.00 0.00 H new ATOM 0 HA2 GLY A 104 3.681 -9.277 -0.704 1.00 0.00 H new ATOM 0 HA3 GLY A 104 3.212 -10.395 -1.969 1.00 0.00 H new ATOM 1270 N SER A 105 0.883 -11.022 -0.373 1.00 0.00 N ATOM 1271 CA SER A 105 -0.497 -10.942 0.111 1.00 0.00 C ATOM 1272 C SER A 105 -0.579 -10.278 1.489 1.00 0.00 C ATOM 1273 O SER A 105 -1.468 -9.463 1.705 1.00 0.00 O ATOM 1274 CB SER A 105 -1.146 -12.329 0.147 1.00 0.00 C ATOM 1275 OG SER A 105 -2.549 -12.218 0.308 1.00 0.00 O ATOM 0 H SER A 105 1.207 -11.975 -0.540 1.00 0.00 H new ATOM 0 HA SER A 105 -1.048 -10.317 -0.592 1.00 0.00 H new ATOM 0 HB2 SER A 105 -0.921 -12.866 -0.775 1.00 0.00 H new ATOM 0 HB3 SER A 105 -0.725 -12.912 0.966 1.00 0.00 H new ATOM 0 HG SER A 105 -2.948 -13.113 0.328 1.00 0.00 H new ATOM 1280 N ALA A 106 0.373 -10.521 2.402 1.00 0.00 N ATOM 1281 CA ALA A 106 0.395 -9.863 3.713 1.00 0.00 C ATOM 1282 C ALA A 106 0.504 -8.328 3.610 1.00 0.00 C ATOM 1283 O ALA A 106 -0.177 -7.617 4.352 1.00 0.00 O ATOM 1284 CB ALA A 106 1.519 -10.445 4.583 1.00 0.00 C ATOM 0 H ALA A 106 1.142 -11.174 2.253 1.00 0.00 H new ATOM 0 HA ALA A 106 -0.563 -10.067 4.192 1.00 0.00 H new ATOM 0 HB1 ALA A 106 1.523 -9.947 5.553 1.00 0.00 H new ATOM 0 HB2 ALA A 106 1.354 -11.513 4.724 1.00 0.00 H new ATOM 0 HB3 ALA A 106 2.479 -10.288 4.090 1.00 0.00 H new ATOM 1290 N LEU A 107 1.296 -7.805 2.665 1.00 0.00 N ATOM 1291 CA LEU A 107 1.389 -6.364 2.402 1.00 0.00 C ATOM 1292 C LEU A 107 0.091 -5.824 1.799 1.00 0.00 C ATOM 1293 O LEU A 107 -0.453 -4.844 2.294 1.00 0.00 O ATOM 1294 CB LEU A 107 2.599 -6.093 1.489 1.00 0.00 C ATOM 1295 CG LEU A 107 3.181 -4.664 1.451 1.00 0.00 C ATOM 1296 CD1 LEU A 107 2.282 -3.613 0.813 1.00 0.00 C ATOM 1297 CD2 LEU A 107 3.583 -4.182 2.838 1.00 0.00 C ATOM 0 H LEU A 107 1.891 -8.371 2.060 1.00 0.00 H new ATOM 0 HA LEU A 107 1.536 -5.836 3.344 1.00 0.00 H new ATOM 0 HB2 LEU A 107 3.399 -6.770 1.788 1.00 0.00 H new ATOM 0 HB3 LEU A 107 2.315 -6.364 0.472 1.00 0.00 H new ATOM 0 HG LEU A 107 4.056 -4.764 0.808 1.00 0.00 H new ATOM 0 HD11 LEU A 107 2.782 -2.645 0.836 1.00 0.00 H new ATOM 0 HD12 LEU A 107 2.075 -3.890 -0.221 1.00 0.00 H new ATOM 0 HD13 LEU A 107 1.345 -3.551 1.367 1.00 0.00 H new ATOM 0 HD21 LEU A 107 3.988 -3.172 2.769 1.00 0.00 H new ATOM 0 HD22 LEU A 107 2.709 -4.179 3.490 1.00 0.00 H new ATOM 0 HD23 LEU A 107 4.340 -4.849 3.250 1.00 0.00 H new ATOM 1308 N ALA A 108 -0.459 -6.483 0.780 1.00 0.00 N ATOM 1309 CA ALA A 108 -1.744 -6.082 0.211 1.00 0.00 C ATOM 1310 C ALA A 108 -2.909 -6.163 1.213 1.00 0.00 C ATOM 1311 O ALA A 108 -3.781 -5.298 1.198 1.00 0.00 O ATOM 1312 CB ALA A 108 -2.014 -6.931 -1.018 1.00 0.00 C ATOM 0 H ALA A 108 -0.035 -7.296 0.332 1.00 0.00 H new ATOM 0 HA ALA A 108 -1.678 -5.029 -0.063 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -2.970 -6.644 -1.455 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -1.220 -6.776 -1.749 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -2.046 -7.983 -0.734 1.00 0.00 H new ATOM 1318 N ASN A 109 -2.907 -7.141 2.121 1.00 0.00 N ATOM 1319 CA ASN A 109 -3.850 -7.227 3.236 1.00 0.00 C ATOM 1320 C ASN A 109 -3.634 -6.078 4.237 1.00 0.00 C ATOM 1321 O ASN A 109 -4.614 -5.509 4.711 1.00 0.00 O ATOM 1322 CB ASN A 109 -3.736 -8.595 3.933 1.00 0.00 C ATOM 1323 CG ASN A 109 -4.123 -9.784 3.060 1.00 0.00 C ATOM 1324 OD1 ASN A 109 -4.834 -9.675 2.069 1.00 0.00 O ATOM 1325 ND2 ASN A 109 -3.685 -10.969 3.419 1.00 0.00 N ATOM 0 H ASN A 109 -2.237 -7.910 2.101 1.00 0.00 H new ATOM 0 HA ASN A 109 -4.859 -7.129 2.836 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -2.710 -8.730 4.275 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -4.369 -8.590 4.820 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -3.937 -11.793 2.873 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -3.092 -11.065 4.244 1.00 0.00 H new ATOM 1331 N ALA A 110 -2.383 -5.684 4.513 1.00 0.00 N ATOM 1332 CA ALA A 110 -2.077 -4.501 5.321 1.00 0.00 C ATOM 1333 C ALA A 110 -2.606 -3.213 4.665 1.00 0.00 C ATOM 1334 O ALA A 110 -3.308 -2.442 5.317 1.00 0.00 O ATOM 1335 CB ALA A 110 -0.565 -4.423 5.588 1.00 0.00 C ATOM 0 H ALA A 110 -1.555 -6.179 4.181 1.00 0.00 H new ATOM 0 HA ALA A 110 -2.590 -4.596 6.278 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -0.347 -3.540 6.189 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -0.244 -5.316 6.124 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -0.031 -4.357 4.640 1.00 0.00 H new ATOM 1341 N LEU A 111 -2.354 -3.007 3.365 1.00 0.00 N ATOM 1342 CA LEU A 111 -2.939 -1.898 2.603 1.00 0.00 C ATOM 1343 C LEU A 111 -4.472 -1.960 2.621 1.00 0.00 C ATOM 1344 O LEU A 111 -5.108 -0.929 2.801 1.00 0.00 O ATOM 1345 CB LEU A 111 -2.427 -1.875 1.146 1.00 0.00 C ATOM 1346 CG LEU A 111 -0.908 -1.714 0.973 1.00 0.00 C ATOM 1347 CD1 LEU A 111 -0.520 -1.892 -0.495 1.00 0.00 C ATOM 1348 CD2 LEU A 111 -0.370 -0.365 1.436 1.00 0.00 C ATOM 0 H LEU A 111 -1.739 -3.605 2.813 1.00 0.00 H new ATOM 0 HA LEU A 111 -2.622 -0.976 3.090 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -2.733 -2.801 0.659 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -2.922 -1.059 0.620 1.00 0.00 H new ATOM 0 HG LEU A 111 -0.465 -2.484 1.604 1.00 0.00 H new ATOM 0 HD11 LEU A 111 0.558 -1.775 -0.603 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -0.813 -2.887 -0.831 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -1.028 -1.141 -1.099 1.00 0.00 H new ATOM 0 HD21 LEU A 111 0.708 -0.331 1.281 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -0.845 0.432 0.863 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -0.589 -0.230 2.495 1.00 0.00 H new ATOM 1359 N SER A 112 -5.068 -3.147 2.462 1.00 0.00 N ATOM 1360 CA SER A 112 -6.523 -3.358 2.477 1.00 0.00 C ATOM 1361 C SER A 112 -7.146 -3.012 3.833 1.00 0.00 C ATOM 1362 O SER A 112 -8.146 -2.296 3.873 1.00 0.00 O ATOM 1363 CB SER A 112 -6.863 -4.803 2.094 1.00 0.00 C ATOM 1364 OG SER A 112 -8.262 -4.946 1.915 1.00 0.00 O ATOM 0 H SER A 112 -4.542 -4.008 2.316 1.00 0.00 H new ATOM 0 HA SER A 112 -6.950 -2.680 1.738 1.00 0.00 H new ATOM 0 HB2 SER A 112 -6.342 -5.076 1.176 1.00 0.00 H new ATOM 0 HB3 SER A 112 -6.517 -5.484 2.872 1.00 0.00 H new ATOM 0 HG SER A 112 -8.467 -5.872 1.669 1.00 0.00 H new ATOM 1369 N ASP A 113 -6.524 -3.426 4.945 1.00 0.00 N ATOM 1370 CA ASP A 113 -6.904 -3.005 6.298 1.00 0.00 C ATOM 1371 C ASP A 113 -6.914 -1.475 6.408 1.00 0.00 C ATOM 1372 O ASP A 113 -7.922 -0.888 6.802 1.00 0.00 O ATOM 1373 CB ASP A 113 -5.951 -3.603 7.355 1.00 0.00 C ATOM 1374 CG ASP A 113 -6.431 -4.951 7.917 1.00 0.00 C ATOM 1375 OD1 ASP A 113 -7.588 -5.033 8.393 1.00 0.00 O ATOM 1376 OD2 ASP A 113 -5.637 -5.922 7.947 1.00 0.00 O ATOM 0 H ASP A 113 -5.733 -4.070 4.929 1.00 0.00 H new ATOM 0 HA ASP A 113 -7.910 -3.379 6.490 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -4.964 -3.734 6.911 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -5.840 -2.894 8.176 1.00 0.00 H new ATOM 1380 N SER A 114 -5.829 -0.816 6.001 1.00 0.00 N ATOM 1381 CA SER A 114 -5.706 0.642 6.061 1.00 0.00 C ATOM 1382 C SER A 114 -6.637 1.380 5.097 1.00 0.00 C ATOM 1383 O SER A 114 -7.110 2.454 5.440 1.00 0.00 O ATOM 1384 CB SER A 114 -4.283 1.067 5.735 1.00 0.00 C ATOM 1385 OG SER A 114 -3.350 0.259 6.411 1.00 0.00 O ATOM 0 H SER A 114 -5.006 -1.281 5.618 1.00 0.00 H new ATOM 0 HA SER A 114 -5.986 0.911 7.080 1.00 0.00 H new ATOM 0 HB2 SER A 114 -4.117 1.000 4.660 1.00 0.00 H new ATOM 0 HB3 SER A 114 -4.137 2.110 6.016 1.00 0.00 H new ATOM 0 HG SER A 114 -3.240 -0.587 5.929 1.00 0.00 H new ATOM 1390 N ALA A 115 -6.921 0.837 3.909 1.00 0.00 N ATOM 1391 CA ALA A 115 -7.808 1.439 2.910 1.00 0.00 C ATOM 1392 C ALA A 115 -9.286 1.309 3.296 1.00 0.00 C ATOM 1393 O ALA A 115 -10.050 2.270 3.181 1.00 0.00 O ATOM 1394 CB ALA A 115 -7.533 0.800 1.546 1.00 0.00 C ATOM 0 H ALA A 115 -6.530 -0.056 3.608 1.00 0.00 H new ATOM 0 HA ALA A 115 -7.598 2.507 2.860 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -8.190 1.243 0.797 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -6.494 0.974 1.266 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -7.719 -0.272 1.602 1.00 0.00 H new ATOM 1400 N ALA A 116 -9.674 0.153 3.838 1.00 0.00 N ATOM 1401 CA ALA A 116 -10.968 -0.036 4.483 1.00 0.00 C ATOM 1402 C ALA A 116 -11.124 0.907 5.693 1.00 0.00 C ATOM 1403 O ALA A 116 -12.165 1.545 5.855 1.00 0.00 O ATOM 1404 CB ALA A 116 -11.100 -1.513 4.872 1.00 0.00 C ATOM 0 H ALA A 116 -9.091 -0.684 3.840 1.00 0.00 H new ATOM 0 HA ALA A 116 -11.775 0.220 3.796 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -12.062 -1.677 5.357 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -11.034 -2.132 3.977 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -10.297 -1.782 5.559 1.00 0.00 H new ATOM 1410 N ASN A 117 -10.068 1.071 6.503 1.00 0.00 N ATOM 1411 CA ASN A 117 -10.048 2.026 7.613 1.00 0.00 C ATOM 1412 C ASN A 117 -10.028 3.501 7.139 1.00 0.00 C ATOM 1413 O ASN A 117 -10.660 4.351 7.756 1.00 0.00 O ATOM 1414 CB ASN A 117 -8.884 1.682 8.560 1.00 0.00 C ATOM 1415 CG ASN A 117 -9.130 2.180 9.975 1.00 0.00 C ATOM 1416 OD1 ASN A 117 -8.882 3.328 10.315 1.00 0.00 O ATOM 1417 ND2 ASN A 117 -9.625 1.327 10.845 1.00 0.00 N ATOM 0 H ASN A 117 -9.202 0.541 6.404 1.00 0.00 H new ATOM 0 HA ASN A 117 -10.982 1.932 8.168 1.00 0.00 H new ATOM 0 HB2 ASN A 117 -8.738 0.602 8.577 1.00 0.00 H new ATOM 0 HB3 ASN A 117 -7.963 2.122 8.176 1.00 0.00 H new ATOM 0 HD21 ASN A 117 -9.803 1.623 11.805 1.00 0.00 H new ATOM 0 HD22 ASN A 117 -9.831 0.370 10.560 1.00 0.00 H new ATOM 1423 N SER A 118 -9.411 3.822 5.998 1.00 0.00 N ATOM 1424 CA SER A 118 -9.476 5.155 5.371 1.00 0.00 C ATOM 1425 C SER A 118 -10.902 5.536 4.955 1.00 0.00 C ATOM 1426 O SER A 118 -11.290 6.698 5.088 1.00 0.00 O ATOM 1427 CB SER A 118 -8.539 5.245 4.158 1.00 0.00 C ATOM 1428 OG SER A 118 -7.232 5.604 4.575 1.00 0.00 O ATOM 0 H SER A 118 -8.843 3.157 5.473 1.00 0.00 H new ATOM 0 HA SER A 118 -9.148 5.866 6.129 1.00 0.00 H new ATOM 0 HB2 SER A 118 -8.513 4.288 3.638 1.00 0.00 H new ATOM 0 HB3 SER A 118 -8.918 5.982 3.450 1.00 0.00 H new ATOM 0 HG SER A 118 -6.642 5.657 3.794 1.00 0.00 H new