USER MOD reduce.3.24.130724 H: found=0, std=0, add=795, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 796 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 56 SER OG : rot -46:sc= 0.911 USER MOD Set 1.2: A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 22 ASN : amide:sc= -0.14 K(o=-1.3,f=-8.6!) USER MOD Set 2.2: A 25 THR OG1 : rot 180:sc= -1.2 USER MOD Single : A 2 SER OG : rot 26:sc= 0.101 USER MOD Single : A 4 THR OG1 : rot -100:sc= -1.39 USER MOD Single : A 5 SER OG : rot -114:sc= 0.227 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.00759 USER MOD Single : A 9 CYS SG : rot 180:sc= -0.256 USER MOD Single : A 10 GLN : amide:sc= -0.253 X(o=-0.25,f=-0.13) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 126:sc= 0.443 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot -110:sc= 0.0846 USER MOD Single : A 39 MET CE :methyl 163:sc= -0.113 (180deg=-0.573) USER MOD Single : A 45 SER OG : rot 180:sc= 0.154 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -100:sc= 1.39 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -4.47! C(o=-4.5!,f=-4.2!) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 GLN : amide:sc= -0.439 K(o=-0.44,f=-0.96) USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 ASN : amide:sc= -0.927 K(o=-0.93,f=-0.27) USER MOD Single : A 82 ASN : amide:sc= -0.0668 X(o=-0.067,f=0) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.491! C(o=-0.49!,f=-3.6!) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= -0.04 X(o=-0.04,f=-0.43) USER MOD ----------------------------------------------------------------- ATOM 18 N SER A 2 -2.453 5.252 -3.114 1.00 0.00 N ATOM 19 CA SER A 2 -2.517 6.451 -3.929 1.00 0.00 C ATOM 20 C SER A 2 -1.118 6.881 -4.354 1.00 0.00 C ATOM 21 O SER A 2 -0.124 6.292 -3.930 1.00 0.00 O ATOM 22 CB SER A 2 -3.200 7.575 -3.147 1.00 0.00 C ATOM 23 OG SER A 2 -4.501 7.185 -2.734 1.00 0.00 O ATOM 0 HA SER A 2 -3.099 6.236 -4.825 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.599 7.834 -2.275 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.263 8.469 -3.767 1.00 0.00 H new ATOM 0 HG SER A 2 -4.540 6.209 -2.655 1.00 0.00 H new ATOM 29 N ILE A 3 -1.051 7.900 -5.194 1.00 0.00 N ATOM 30 CA ILE A 3 0.219 8.443 -5.641 1.00 0.00 C ATOM 31 C ILE A 3 0.697 9.501 -4.648 1.00 0.00 C ATOM 32 O ILE A 3 -0.108 10.087 -3.921 1.00 0.00 O ATOM 33 CB ILE A 3 0.087 9.034 -7.069 1.00 0.00 C ATOM 34 CG1 ILE A 3 -0.324 7.933 -8.051 1.00 0.00 C ATOM 35 CG2 ILE A 3 1.382 9.694 -7.533 1.00 0.00 C ATOM 36 CD1 ILE A 3 0.654 6.778 -8.113 1.00 0.00 C ATOM 0 H ILE A 3 -1.869 8.370 -5.582 1.00 0.00 H new ATOM 0 HA ILE A 3 0.959 7.643 -5.684 1.00 0.00 H new ATOM 0 HB ILE A 3 -0.682 9.806 -7.040 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -1.305 7.552 -7.767 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -0.426 8.365 -9.046 1.00 0.00 H new ATOM 0 HG21 ILE A 3 1.246 10.095 -8.538 1.00 0.00 H new ATOM 0 HG22 ILE A 3 1.642 10.504 -6.851 1.00 0.00 H new ATOM 0 HG23 ILE A 3 2.184 8.956 -7.542 1.00 0.00 H new ATOM 0 HD11 ILE A 3 0.297 6.037 -8.829 1.00 0.00 H new ATOM 0 HD12 ILE A 3 1.631 7.145 -8.427 1.00 0.00 H new ATOM 0 HD13 ILE A 3 0.738 6.319 -7.128 1.00 0.00 H new ATOM 48 N THR A 4 1.998 9.738 -4.616 1.00 0.00 N ATOM 49 CA THR A 4 2.590 10.624 -3.632 1.00 0.00 C ATOM 50 C THR A 4 2.663 12.065 -4.138 1.00 0.00 C ATOM 51 O THR A 4 2.176 12.382 -5.226 1.00 0.00 O ATOM 52 CB THR A 4 4.003 10.135 -3.265 1.00 0.00 C ATOM 53 OG1 THR A 4 4.771 9.931 -4.459 1.00 0.00 O ATOM 54 CG2 THR A 4 3.941 8.837 -2.471 1.00 0.00 C ATOM 0 H THR A 4 2.667 9.325 -5.266 1.00 0.00 H new ATOM 0 HA THR A 4 1.951 10.608 -2.749 1.00 0.00 H new ATOM 0 HB THR A 4 4.479 10.896 -2.647 1.00 0.00 H new ATOM 0 HG1 THR A 4 4.785 8.976 -4.680 1.00 0.00 H new ATOM 0 HG21 THR A 4 4.952 8.513 -2.224 1.00 0.00 H new ATOM 0 HG22 THR A 4 3.377 8.999 -1.552 1.00 0.00 H new ATOM 0 HG23 THR A 4 3.449 8.069 -3.068 1.00 0.00 H new ATOM 62 N SER A 5 3.268 12.929 -3.338 1.00 0.00 N ATOM 63 CA SER A 5 3.405 14.336 -3.679 1.00 0.00 C ATOM 64 C SER A 5 4.573 14.536 -4.651 1.00 0.00 C ATOM 65 O SER A 5 5.130 13.563 -5.164 1.00 0.00 O ATOM 66 CB SER A 5 3.604 15.165 -2.404 1.00 0.00 C ATOM 67 OG SER A 5 3.488 16.554 -2.667 1.00 0.00 O ATOM 0 H SER A 5 3.676 12.676 -2.438 1.00 0.00 H new ATOM 0 HA SER A 5 2.494 14.675 -4.172 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.865 14.871 -1.658 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.586 14.954 -1.980 1.00 0.00 H new ATOM 0 HG SER A 5 4.354 16.988 -2.518 1.00 0.00 H new ATOM 73 N THR A 6 4.935 15.798 -4.885 1.00 0.00 N ATOM 74 CA THR A 6 5.986 16.179 -5.836 1.00 0.00 C ATOM 75 C THR A 6 7.287 15.397 -5.605 1.00 0.00 C ATOM 76 O THR A 6 8.115 15.268 -6.510 1.00 0.00 O ATOM 77 CB THR A 6 6.275 17.692 -5.739 1.00 0.00 C ATOM 78 OG1 THR A 6 5.040 18.422 -5.726 1.00 0.00 O ATOM 79 CG2 THR A 6 7.127 18.168 -6.908 1.00 0.00 C ATOM 0 H THR A 6 4.504 16.594 -4.416 1.00 0.00 H new ATOM 0 HA THR A 6 5.618 15.934 -6.832 1.00 0.00 H new ATOM 0 HB THR A 6 6.825 17.871 -4.815 1.00 0.00 H new ATOM 0 HG1 THR A 6 5.228 19.382 -5.663 1.00 0.00 H new ATOM 0 HG21 THR A 6 7.313 19.238 -6.811 1.00 0.00 H new ATOM 0 HG22 THR A 6 8.077 17.633 -6.908 1.00 0.00 H new ATOM 0 HG23 THR A 6 6.602 17.975 -7.843 1.00 0.00 H new ATOM 87 N ASP A 7 7.456 14.885 -4.388 1.00 0.00 N ATOM 88 CA ASP A 7 8.603 14.048 -4.035 1.00 0.00 C ATOM 89 C ASP A 7 8.782 12.887 -5.017 1.00 0.00 C ATOM 90 O ASP A 7 9.892 12.394 -5.200 1.00 0.00 O ATOM 91 CB ASP A 7 8.438 13.485 -2.621 1.00 0.00 C ATOM 92 CG ASP A 7 8.499 14.551 -1.548 1.00 0.00 C ATOM 93 OD1 ASP A 7 7.456 15.175 -1.261 1.00 0.00 O ATOM 94 OD2 ASP A 7 9.586 14.765 -0.975 1.00 0.00 O ATOM 0 H ASP A 7 6.803 15.038 -3.619 1.00 0.00 H new ATOM 0 HA ASP A 7 9.489 14.681 -4.082 1.00 0.00 H new ATOM 0 HB2 ASP A 7 7.483 12.963 -2.553 1.00 0.00 H new ATOM 0 HB3 ASP A 7 9.219 12.747 -2.437 1.00 0.00 H new ATOM 99 N ILE A 8 7.693 12.452 -5.650 1.00 0.00 N ATOM 100 CA ILE A 8 7.769 11.387 -6.647 1.00 0.00 C ATOM 101 C ILE A 8 8.610 11.838 -7.846 1.00 0.00 C ATOM 102 O ILE A 8 9.453 11.091 -8.344 1.00 0.00 O ATOM 103 CB ILE A 8 6.359 10.932 -7.117 1.00 0.00 C ATOM 104 CG1 ILE A 8 6.463 9.756 -8.094 1.00 0.00 C ATOM 105 CG2 ILE A 8 5.584 12.082 -7.755 1.00 0.00 C ATOM 106 CD1 ILE A 8 5.121 9.275 -8.597 1.00 0.00 C ATOM 0 H ILE A 8 6.754 12.818 -5.491 1.00 0.00 H new ATOM 0 HA ILE A 8 8.250 10.530 -6.175 1.00 0.00 H new ATOM 0 HB ILE A 8 5.811 10.605 -6.233 1.00 0.00 H new ATOM 0 HG12 ILE A 8 7.077 10.053 -8.945 1.00 0.00 H new ATOM 0 HG13 ILE A 8 6.977 8.929 -7.603 1.00 0.00 H new ATOM 0 HG21 ILE A 8 4.603 11.728 -8.072 1.00 0.00 H new ATOM 0 HG22 ILE A 8 5.463 12.886 -7.029 1.00 0.00 H new ATOM 0 HG23 ILE A 8 6.132 12.454 -8.620 1.00 0.00 H new ATOM 0 HD11 ILE A 8 5.267 8.442 -9.284 1.00 0.00 H new ATOM 0 HD12 ILE A 8 4.512 8.948 -7.754 1.00 0.00 H new ATOM 0 HD13 ILE A 8 4.614 10.088 -9.116 1.00 0.00 H new ATOM 118 N CYS A 9 8.399 13.077 -8.277 1.00 0.00 N ATOM 119 CA CYS A 9 9.151 13.646 -9.384 1.00 0.00 C ATOM 120 C CYS A 9 10.564 13.988 -8.932 1.00 0.00 C ATOM 121 O CYS A 9 11.521 13.884 -9.700 1.00 0.00 O ATOM 122 CB CYS A 9 8.450 14.904 -9.904 1.00 0.00 C ATOM 123 SG CYS A 9 6.689 14.680 -10.245 1.00 0.00 S ATOM 0 H CYS A 9 7.708 13.708 -7.872 1.00 0.00 H new ATOM 0 HA CYS A 9 9.203 12.913 -10.189 1.00 0.00 H new ATOM 0 HB2 CYS A 9 8.569 15.702 -9.171 1.00 0.00 H new ATOM 0 HB3 CYS A 9 8.947 15.233 -10.817 1.00 0.00 H new ATOM 0 HG CYS A 9 6.185 15.798 -10.677 1.00 0.00 H new ATOM 129 N GLN A 10 10.685 14.386 -7.669 1.00 0.00 N ATOM 130 CA GLN A 10 11.974 14.753 -7.101 1.00 0.00 C ATOM 131 C GLN A 10 12.887 13.538 -7.011 1.00 0.00 C ATOM 132 O GLN A 10 14.061 13.606 -7.369 1.00 0.00 O ATOM 133 CB GLN A 10 11.801 15.382 -5.716 1.00 0.00 C ATOM 134 CG GLN A 10 11.021 16.688 -5.728 1.00 0.00 C ATOM 135 CD GLN A 10 11.631 17.721 -6.656 1.00 0.00 C ATOM 136 OE1 GLN A 10 12.496 18.502 -6.258 1.00 0.00 O ATOM 137 NE2 GLN A 10 11.170 17.743 -7.896 1.00 0.00 N ATOM 0 H GLN A 10 9.902 14.462 -7.019 1.00 0.00 H new ATOM 0 HA GLN A 10 12.433 15.489 -7.761 1.00 0.00 H new ATOM 0 HB2 GLN A 10 11.291 14.671 -5.065 1.00 0.00 H new ATOM 0 HB3 GLN A 10 12.785 15.561 -5.283 1.00 0.00 H new ATOM 0 HG2 GLN A 10 9.994 16.491 -6.034 1.00 0.00 H new ATOM 0 HG3 GLN A 10 10.980 17.092 -4.717 1.00 0.00 H new ATOM 0 HE21 GLN A 10 10.453 17.078 -8.185 1.00 0.00 H new ATOM 0 HE22 GLN A 10 11.532 18.425 -8.563 1.00 0.00 H new ATOM 146 N ALA A 11 12.337 12.424 -6.550 1.00 0.00 N ATOM 147 CA ALA A 11 13.107 11.197 -6.414 1.00 0.00 C ATOM 148 C ALA A 11 13.517 10.651 -7.776 1.00 0.00 C ATOM 149 O ALA A 11 14.600 10.087 -7.923 1.00 0.00 O ATOM 150 CB ALA A 11 12.315 10.157 -5.635 1.00 0.00 C ATOM 0 H ALA A 11 11.361 12.345 -6.264 1.00 0.00 H new ATOM 0 HA ALA A 11 14.017 11.428 -5.860 1.00 0.00 H new ATOM 0 HB1 ALA A 11 12.905 9.245 -5.542 1.00 0.00 H new ATOM 0 HB2 ALA A 11 12.085 10.543 -4.642 1.00 0.00 H new ATOM 0 HB3 ALA A 11 11.387 9.937 -6.162 1.00 0.00 H new ATOM 156 N ALA A 12 12.655 10.833 -8.772 1.00 0.00 N ATOM 157 CA ALA A 12 12.945 10.390 -10.133 1.00 0.00 C ATOM 158 C ALA A 12 14.118 11.170 -10.720 1.00 0.00 C ATOM 159 O ALA A 12 14.885 10.652 -11.531 1.00 0.00 O ATOM 160 CB ALA A 12 11.712 10.546 -11.012 1.00 0.00 C ATOM 0 H ALA A 12 11.747 11.285 -8.662 1.00 0.00 H new ATOM 0 HA ALA A 12 13.221 9.336 -10.098 1.00 0.00 H new ATOM 0 HB1 ALA A 12 11.942 10.212 -12.024 1.00 0.00 H new ATOM 0 HB2 ALA A 12 10.898 9.944 -10.607 1.00 0.00 H new ATOM 0 HB3 ALA A 12 11.412 11.594 -11.035 1.00 0.00 H new ATOM 166 N ASP A 13 14.256 12.416 -10.295 1.00 0.00 N ATOM 167 CA ASP A 13 15.335 13.274 -10.771 1.00 0.00 C ATOM 168 C ASP A 13 16.584 13.088 -9.913 1.00 0.00 C ATOM 169 O ASP A 13 17.686 13.476 -10.296 1.00 0.00 O ATOM 170 CB ASP A 13 14.883 14.736 -10.745 1.00 0.00 C ATOM 171 CG ASP A 13 15.886 15.679 -11.388 1.00 0.00 C ATOM 172 OD1 ASP A 13 15.957 15.723 -12.635 1.00 0.00 O ATOM 173 OD2 ASP A 13 16.595 16.395 -10.649 1.00 0.00 O ATOM 0 H ASP A 13 13.633 12.859 -9.619 1.00 0.00 H new ATOM 0 HA ASP A 13 15.581 12.997 -11.796 1.00 0.00 H new ATOM 0 HB2 ASP A 13 13.927 14.824 -11.261 1.00 0.00 H new ATOM 0 HB3 ASP A 13 14.717 15.041 -9.712 1.00 0.00 H new ATOM 178 N ALA A 14 16.405 12.469 -8.754 1.00 0.00 N ATOM 179 CA ALA A 14 17.502 12.248 -7.822 1.00 0.00 C ATOM 180 C ALA A 14 18.075 10.842 -7.970 1.00 0.00 C ATOM 181 O ALA A 14 18.913 10.416 -7.175 1.00 0.00 O ATOM 182 CB ALA A 14 17.034 12.482 -6.394 1.00 0.00 C ATOM 0 H ALA A 14 15.505 12.109 -8.436 1.00 0.00 H new ATOM 0 HA ALA A 14 18.294 12.960 -8.055 1.00 0.00 H new ATOM 0 HB1 ALA A 14 17.863 12.314 -5.707 1.00 0.00 H new ATOM 0 HB2 ALA A 14 16.680 13.508 -6.291 1.00 0.00 H new ATOM 0 HB3 ALA A 14 16.223 11.793 -6.159 1.00 0.00 H new ATOM 188 N LEU A 15 17.612 10.122 -8.985 1.00 0.00 N ATOM 189 CA LEU A 15 18.113 8.780 -9.257 1.00 0.00 C ATOM 190 C LEU A 15 19.579 8.838 -9.666 1.00 0.00 C ATOM 191 O LEU A 15 19.944 9.545 -10.605 1.00 0.00 O ATOM 192 CB LEU A 15 17.294 8.106 -10.361 1.00 0.00 C ATOM 193 CG LEU A 15 15.809 7.903 -10.053 1.00 0.00 C ATOM 194 CD1 LEU A 15 15.120 7.199 -11.211 1.00 0.00 C ATOM 195 CD2 LEU A 15 15.630 7.113 -8.767 1.00 0.00 C ATOM 0 H LEU A 15 16.892 10.444 -9.632 1.00 0.00 H new ATOM 0 HA LEU A 15 18.018 8.191 -8.345 1.00 0.00 H new ATOM 0 HB2 LEU A 15 17.380 8.704 -11.269 1.00 0.00 H new ATOM 0 HB3 LEU A 15 17.738 7.134 -10.576 1.00 0.00 H new ATOM 0 HG LEU A 15 15.349 8.882 -9.918 1.00 0.00 H new ATOM 0 HD11 LEU A 15 14.064 7.062 -10.977 1.00 0.00 H new ATOM 0 HD12 LEU A 15 15.216 7.803 -12.113 1.00 0.00 H new ATOM 0 HD13 LEU A 15 15.585 6.227 -11.374 1.00 0.00 H new ATOM 0 HD21 LEU A 15 14.567 6.980 -8.567 1.00 0.00 H new ATOM 0 HD22 LEU A 15 16.105 6.137 -8.870 1.00 0.00 H new ATOM 0 HD23 LEU A 15 16.090 7.654 -7.940 1.00 0.00 H new ATOM 207 N LYS A 16 20.415 8.099 -8.963 1.00 0.00 N ATOM 208 CA LYS A 16 21.843 8.113 -9.233 1.00 0.00 C ATOM 209 C LYS A 16 22.252 6.862 -9.996 1.00 0.00 C ATOM 210 O LYS A 16 21.678 5.792 -9.799 1.00 0.00 O ATOM 211 CB LYS A 16 22.635 8.235 -7.928 1.00 0.00 C ATOM 212 CG LYS A 16 22.376 7.112 -6.933 1.00 0.00 C ATOM 213 CD LYS A 16 23.045 7.390 -5.597 1.00 0.00 C ATOM 214 CE LYS A 16 22.460 8.627 -4.932 1.00 0.00 C ATOM 215 NZ LYS A 16 23.184 8.989 -3.685 1.00 0.00 N ATOM 0 H LYS A 16 20.133 7.482 -8.202 1.00 0.00 H new ATOM 0 HA LYS A 16 22.070 8.981 -9.852 1.00 0.00 H new ATOM 0 HB2 LYS A 16 23.699 8.259 -8.163 1.00 0.00 H new ATOM 0 HB3 LYS A 16 22.391 9.187 -7.456 1.00 0.00 H new ATOM 0 HG2 LYS A 16 21.302 6.994 -6.786 1.00 0.00 H new ATOM 0 HG3 LYS A 16 22.748 6.171 -7.339 1.00 0.00 H new ATOM 0 HD2 LYS A 16 22.922 6.529 -4.940 1.00 0.00 H new ATOM 0 HD3 LYS A 16 24.116 7.527 -5.746 1.00 0.00 H new ATOM 0 HE2 LYS A 16 22.498 9.464 -5.629 1.00 0.00 H new ATOM 0 HE3 LYS A 16 21.409 8.451 -4.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 22.751 9.837 -3.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 23.126 8.201 -3.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 24.182 9.183 -3.906 1.00 0.00 H new ATOM 229 N GLY A 17 23.229 7.006 -10.875 1.00 0.00 N ATOM 230 CA GLY A 17 23.684 5.883 -11.664 1.00 0.00 C ATOM 231 C GLY A 17 23.425 6.082 -13.142 1.00 0.00 C ATOM 232 O GLY A 17 22.700 7.000 -13.538 1.00 0.00 O ATOM 0 H GLY A 17 23.717 7.883 -11.057 1.00 0.00 H new ATOM 0 HA2 GLY A 17 24.751 5.735 -11.500 1.00 0.00 H new ATOM 0 HA3 GLY A 17 23.181 4.977 -11.327 1.00 0.00 H new ATOM 236 N PHE A 18 24.010 5.226 -13.961 1.00 0.00 N ATOM 237 CA PHE A 18 23.861 5.333 -15.401 1.00 0.00 C ATOM 238 C PHE A 18 23.187 4.090 -15.957 1.00 0.00 C ATOM 239 O PHE A 18 23.080 3.072 -15.276 1.00 0.00 O ATOM 240 CB PHE A 18 25.224 5.534 -16.069 1.00 0.00 C ATOM 241 CG PHE A 18 25.932 6.777 -15.616 1.00 0.00 C ATOM 242 CD1 PHE A 18 25.576 8.013 -16.124 1.00 0.00 C ATOM 243 CD2 PHE A 18 26.944 6.709 -14.672 1.00 0.00 C ATOM 244 CE1 PHE A 18 26.217 9.161 -15.704 1.00 0.00 C ATOM 245 CE2 PHE A 18 27.587 7.854 -14.245 1.00 0.00 C ATOM 246 CZ PHE A 18 27.222 9.081 -14.762 1.00 0.00 C ATOM 0 H PHE A 18 24.593 4.448 -13.653 1.00 0.00 H new ATOM 0 HA PHE A 18 23.236 6.199 -15.617 1.00 0.00 H new ATOM 0 HB2 PHE A 18 25.854 4.669 -15.860 1.00 0.00 H new ATOM 0 HB3 PHE A 18 25.088 5.576 -17.150 1.00 0.00 H new ATOM 0 HD1 PHE A 18 24.787 8.081 -16.858 1.00 0.00 H new ATOM 0 HD2 PHE A 18 27.233 5.751 -14.266 1.00 0.00 H new ATOM 0 HE1 PHE A 18 25.933 10.120 -16.112 1.00 0.00 H new ATOM 0 HE2 PHE A 18 28.374 7.790 -13.508 1.00 0.00 H new ATOM 0 HZ PHE A 18 27.723 9.978 -14.429 1.00 0.00 H new ATOM 256 N VAL A 19 22.723 4.185 -17.186 1.00 0.00 N ATOM 257 CA VAL A 19 22.093 3.071 -17.858 1.00 0.00 C ATOM 258 C VAL A 19 22.408 3.142 -19.353 1.00 0.00 C ATOM 259 O VAL A 19 22.531 4.233 -19.913 1.00 0.00 O ATOM 260 CB VAL A 19 20.563 3.068 -17.602 1.00 0.00 C ATOM 261 CG1 VAL A 19 19.901 4.318 -18.165 1.00 0.00 C ATOM 262 CG2 VAL A 19 19.918 1.812 -18.159 1.00 0.00 C ATOM 0 H VAL A 19 22.773 5.036 -17.745 1.00 0.00 H new ATOM 0 HA VAL A 19 22.488 2.136 -17.460 1.00 0.00 H new ATOM 0 HB VAL A 19 20.412 3.073 -16.523 1.00 0.00 H new ATOM 0 HG11 VAL A 19 18.830 4.283 -17.968 1.00 0.00 H new ATOM 0 HG12 VAL A 19 20.328 5.201 -17.690 1.00 0.00 H new ATOM 0 HG13 VAL A 19 20.070 4.366 -19.241 1.00 0.00 H new ATOM 0 HG21 VAL A 19 18.846 1.837 -17.965 1.00 0.00 H new ATOM 0 HG22 VAL A 19 20.091 1.760 -19.234 1.00 0.00 H new ATOM 0 HG23 VAL A 19 20.353 0.936 -17.678 1.00 0.00 H new ATOM 272 N GLY A 20 22.588 1.990 -19.981 1.00 0.00 N ATOM 273 CA GLY A 20 22.951 1.962 -21.383 1.00 0.00 C ATOM 274 C GLY A 20 22.424 0.731 -22.085 1.00 0.00 C ATOM 275 O GLY A 20 21.893 -0.178 -21.445 1.00 0.00 O ATOM 0 H GLY A 20 22.489 1.073 -19.545 1.00 0.00 H new ATOM 0 HA2 GLY A 20 22.562 2.853 -21.875 1.00 0.00 H new ATOM 0 HA3 GLY A 20 24.037 1.995 -21.476 1.00 0.00 H new ATOM 279 N PHE A 21 22.570 0.693 -23.398 1.00 0.00 N ATOM 280 CA PHE A 21 22.067 -0.420 -24.183 1.00 0.00 C ATOM 281 C PHE A 21 23.210 -1.322 -24.623 1.00 0.00 C ATOM 282 O PHE A 21 24.114 -0.888 -25.337 1.00 0.00 O ATOM 283 CB PHE A 21 21.303 0.098 -25.406 1.00 0.00 C ATOM 284 CG PHE A 21 20.688 -0.988 -26.246 1.00 0.00 C ATOM 285 CD1 PHE A 21 19.546 -1.648 -25.820 1.00 0.00 C ATOM 286 CD2 PHE A 21 21.249 -1.346 -27.462 1.00 0.00 C ATOM 287 CE1 PHE A 21 18.977 -2.644 -26.589 1.00 0.00 C ATOM 288 CE2 PHE A 21 20.684 -2.342 -28.234 1.00 0.00 C ATOM 289 CZ PHE A 21 19.547 -2.992 -27.797 1.00 0.00 C ATOM 0 H PHE A 21 23.033 1.420 -23.943 1.00 0.00 H new ATOM 0 HA PHE A 21 21.386 -1.001 -23.562 1.00 0.00 H new ATOM 0 HB2 PHE A 21 20.516 0.774 -25.071 1.00 0.00 H new ATOM 0 HB3 PHE A 21 21.983 0.682 -26.026 1.00 0.00 H new ATOM 0 HD1 PHE A 21 19.096 -1.380 -24.876 1.00 0.00 H new ATOM 0 HD2 PHE A 21 22.138 -0.840 -27.810 1.00 0.00 H new ATOM 0 HE1 PHE A 21 18.087 -3.150 -26.246 1.00 0.00 H new ATOM 0 HE2 PHE A 21 21.131 -2.612 -29.179 1.00 0.00 H new ATOM 0 HZ PHE A 21 19.104 -3.771 -28.399 1.00 0.00 H new ATOM 299 N ASN A 22 23.177 -2.574 -24.192 1.00 0.00 N ATOM 300 CA ASN A 22 24.165 -3.540 -24.636 1.00 0.00 C ATOM 301 C ASN A 22 23.718 -4.122 -25.967 1.00 0.00 C ATOM 302 O ASN A 22 22.885 -5.027 -26.023 1.00 0.00 O ATOM 303 CB ASN A 22 24.376 -4.647 -23.600 1.00 0.00 C ATOM 304 CG ASN A 22 25.555 -5.552 -23.940 1.00 0.00 C ATOM 305 OD1 ASN A 22 25.895 -5.757 -25.109 1.00 0.00 O ATOM 306 ND2 ASN A 22 26.183 -6.114 -22.919 1.00 0.00 N ATOM 0 H ASN A 22 22.483 -2.941 -23.541 1.00 0.00 H new ATOM 0 HA ASN A 22 25.123 -3.036 -24.759 1.00 0.00 H new ATOM 0 HB2 ASN A 22 24.539 -4.197 -22.621 1.00 0.00 H new ATOM 0 HB3 ASN A 22 23.470 -5.249 -23.527 1.00 0.00 H new ATOM 0 HD21 ASN A 22 26.973 -6.737 -23.087 1.00 0.00 H new ATOM 0 HD22 ASN A 22 25.877 -5.924 -21.965 1.00 0.00 H new ATOM 313 N ARG A 23 24.272 -3.570 -27.032 1.00 0.00 N ATOM 314 CA ARG A 23 23.876 -3.903 -28.396 1.00 0.00 C ATOM 315 C ARG A 23 24.181 -5.357 -28.755 1.00 0.00 C ATOM 316 O ARG A 23 23.627 -5.895 -29.713 1.00 0.00 O ATOM 317 CB ARG A 23 24.591 -2.961 -29.366 1.00 0.00 C ATOM 318 CG ARG A 23 26.103 -2.959 -29.199 1.00 0.00 C ATOM 319 CD ARG A 23 26.763 -1.876 -30.032 1.00 0.00 C ATOM 320 NE ARG A 23 26.564 -2.077 -31.464 1.00 0.00 N ATOM 321 CZ ARG A 23 27.512 -1.880 -32.374 1.00 0.00 C ATOM 322 NH1 ARG A 23 28.744 -1.564 -31.998 1.00 0.00 N ATOM 323 NH2 ARG A 23 27.242 -2.037 -33.660 1.00 0.00 N ATOM 0 H ARG A 23 25.015 -2.873 -26.978 1.00 0.00 H new ATOM 0 HA ARG A 23 22.796 -3.780 -28.472 1.00 0.00 H new ATOM 0 HB2 ARG A 23 24.346 -3.249 -30.388 1.00 0.00 H new ATOM 0 HB3 ARG A 23 24.215 -1.948 -29.221 1.00 0.00 H new ATOM 0 HG2 ARG A 23 26.352 -2.811 -28.148 1.00 0.00 H new ATOM 0 HG3 ARG A 23 26.501 -3.932 -29.487 1.00 0.00 H new ATOM 0 HD2 ARG A 23 26.361 -0.905 -29.745 1.00 0.00 H new ATOM 0 HD3 ARG A 23 27.831 -1.855 -29.816 1.00 0.00 H new ATOM 0 HE ARG A 23 25.646 -2.386 -31.784 1.00 0.00 H new ATOM 0 HH11 ARG A 23 28.967 -1.471 -31.007 1.00 0.00 H new ATOM 0 HH12 ARG A 23 29.469 -1.414 -32.700 1.00 0.00 H new ATOM 0 HH21 ARG A 23 26.304 -2.310 -33.955 1.00 0.00 H new ATOM 0 HH22 ARG A 23 27.972 -1.885 -34.357 1.00 0.00 H new ATOM 337 N LYS A 24 25.048 -5.995 -27.983 1.00 0.00 N ATOM 338 CA LYS A 24 25.473 -7.351 -28.292 1.00 0.00 C ATOM 339 C LYS A 24 24.567 -8.383 -27.630 1.00 0.00 C ATOM 340 O LYS A 24 24.398 -9.491 -28.143 1.00 0.00 O ATOM 341 CB LYS A 24 26.928 -7.552 -27.876 1.00 0.00 C ATOM 342 CG LYS A 24 27.871 -6.598 -28.587 1.00 0.00 C ATOM 343 CD LYS A 24 29.327 -6.884 -28.271 1.00 0.00 C ATOM 344 CE LYS A 24 30.233 -5.924 -29.020 1.00 0.00 C ATOM 345 NZ LYS A 24 31.671 -6.260 -28.873 1.00 0.00 N ATOM 0 H LYS A 24 25.469 -5.598 -27.143 1.00 0.00 H new ATOM 0 HA LYS A 24 25.395 -7.496 -29.369 1.00 0.00 H new ATOM 0 HB2 LYS A 24 27.018 -7.411 -26.799 1.00 0.00 H new ATOM 0 HB3 LYS A 24 27.225 -8.579 -28.089 1.00 0.00 H new ATOM 0 HG2 LYS A 24 27.714 -6.671 -29.663 1.00 0.00 H new ATOM 0 HG3 LYS A 24 27.633 -5.574 -28.299 1.00 0.00 H new ATOM 0 HD2 LYS A 24 29.497 -6.792 -27.198 1.00 0.00 H new ATOM 0 HD3 LYS A 24 29.570 -7.911 -28.545 1.00 0.00 H new ATOM 0 HE2 LYS A 24 29.969 -5.932 -30.077 1.00 0.00 H new ATOM 0 HE3 LYS A 24 30.062 -4.911 -28.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 32.244 -5.573 -29.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 31.934 -6.227 -27.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 31.844 -7.216 -29.245 1.00 0.00 H new ATOM 359 N THR A 25 23.981 -8.023 -26.498 1.00 0.00 N ATOM 360 CA THR A 25 23.034 -8.904 -25.832 1.00 0.00 C ATOM 361 C THR A 25 21.602 -8.539 -26.209 1.00 0.00 C ATOM 362 O THR A 25 20.704 -9.380 -26.176 1.00 0.00 O ATOM 363 CB THR A 25 23.198 -8.855 -24.303 1.00 0.00 C ATOM 364 OG1 THR A 25 23.183 -7.497 -23.853 1.00 0.00 O ATOM 365 CG2 THR A 25 24.496 -9.524 -23.875 1.00 0.00 C ATOM 0 H THR A 25 24.143 -7.134 -26.024 1.00 0.00 H new ATOM 0 HA THR A 25 23.244 -9.920 -26.167 1.00 0.00 H new ATOM 0 HB THR A 25 22.365 -9.395 -23.853 1.00 0.00 H new ATOM 0 HG1 THR A 25 23.287 -7.474 -22.879 1.00 0.00 H new ATOM 0 HG21 THR A 25 24.589 -9.477 -22.790 1.00 0.00 H new ATOM 0 HG22 THR A 25 24.490 -10.566 -24.194 1.00 0.00 H new ATOM 0 HG23 THR A 25 25.340 -9.009 -24.334 1.00 0.00 H new ATOM 373 N GLY A 26 21.398 -7.279 -26.575 1.00 0.00 N ATOM 374 CA GLY A 26 20.093 -6.833 -27.017 1.00 0.00 C ATOM 375 C GLY A 26 19.204 -6.412 -25.867 1.00 0.00 C ATOM 376 O GLY A 26 17.979 -6.432 -25.982 1.00 0.00 O ATOM 0 H GLY A 26 22.118 -6.556 -26.573 1.00 0.00 H new ATOM 0 HA2 GLY A 26 20.212 -5.996 -27.705 1.00 0.00 H new ATOM 0 HA3 GLY A 26 19.607 -7.635 -27.573 1.00 0.00 H new ATOM 380 N ARG A 27 19.814 -6.023 -24.758 1.00 0.00 N ATOM 381 CA ARG A 27 19.057 -5.613 -23.586 1.00 0.00 C ATOM 382 C ARG A 27 19.576 -4.295 -23.032 1.00 0.00 C ATOM 383 O ARG A 27 20.737 -3.928 -23.242 1.00 0.00 O ATOM 384 CB ARG A 27 19.089 -6.702 -22.509 1.00 0.00 C ATOM 385 CG ARG A 27 20.478 -7.234 -22.204 1.00 0.00 C ATOM 386 CD ARG A 27 20.422 -8.398 -21.228 1.00 0.00 C ATOM 387 NE ARG A 27 20.273 -7.960 -19.839 1.00 0.00 N ATOM 388 CZ ARG A 27 19.142 -8.059 -19.136 1.00 0.00 C ATOM 389 NH1 ARG A 27 18.049 -8.572 -19.691 1.00 0.00 N ATOM 390 NH2 ARG A 27 19.111 -7.660 -17.870 1.00 0.00 N ATOM 0 H ARG A 27 20.827 -5.983 -24.645 1.00 0.00 H new ATOM 0 HA ARG A 27 18.022 -5.465 -23.893 1.00 0.00 H new ATOM 0 HB2 ARG A 27 18.655 -6.303 -21.592 1.00 0.00 H new ATOM 0 HB3 ARG A 27 18.456 -7.531 -22.827 1.00 0.00 H new ATOM 0 HG2 ARG A 27 20.958 -7.555 -23.129 1.00 0.00 H new ATOM 0 HG3 ARG A 27 21.092 -6.436 -21.787 1.00 0.00 H new ATOM 0 HD2 ARG A 27 19.588 -9.049 -21.492 1.00 0.00 H new ATOM 0 HD3 ARG A 27 21.332 -8.991 -21.323 1.00 0.00 H new ATOM 0 HE ARG A 27 21.087 -7.552 -19.378 1.00 0.00 H new ATOM 0 HH11 ARG A 27 18.071 -8.893 -20.659 1.00 0.00 H new ATOM 0 HH12 ARG A 27 17.188 -8.645 -19.149 1.00 0.00 H new ATOM 0 HH21 ARG A 27 19.951 -7.278 -17.435 1.00 0.00 H new ATOM 0 HH22 ARG A 27 18.247 -7.735 -17.333 1.00 0.00 H new ATOM 404 N TYR A 28 18.705 -3.591 -22.331 1.00 0.00 N ATOM 405 CA TYR A 28 19.028 -2.287 -21.776 1.00 0.00 C ATOM 406 C TYR A 28 19.371 -2.452 -20.301 1.00 0.00 C ATOM 407 O TYR A 28 18.523 -2.851 -19.503 1.00 0.00 O ATOM 408 CB TYR A 28 17.836 -1.339 -21.959 1.00 0.00 C ATOM 409 CG TYR A 28 18.201 0.128 -21.933 1.00 0.00 C ATOM 410 CD1 TYR A 28 18.914 0.698 -22.978 1.00 0.00 C ATOM 411 CD2 TYR A 28 17.831 0.944 -20.874 1.00 0.00 C ATOM 412 CE1 TYR A 28 19.250 2.036 -22.968 1.00 0.00 C ATOM 413 CE2 TYR A 28 18.162 2.285 -20.857 1.00 0.00 C ATOM 414 CZ TYR A 28 18.872 2.826 -21.905 1.00 0.00 C ATOM 415 OH TYR A 28 19.209 4.159 -21.889 1.00 0.00 O ATOM 0 H TYR A 28 17.756 -3.906 -22.130 1.00 0.00 H new ATOM 0 HA TYR A 28 19.886 -1.858 -22.294 1.00 0.00 H new ATOM 0 HB2 TYR A 28 17.350 -1.564 -22.908 1.00 0.00 H new ATOM 0 HB3 TYR A 28 17.107 -1.534 -21.173 1.00 0.00 H new ATOM 0 HD1 TYR A 28 19.211 0.083 -23.814 1.00 0.00 H new ATOM 0 HD2 TYR A 28 17.275 0.524 -20.049 1.00 0.00 H new ATOM 0 HE1 TYR A 28 19.807 2.462 -23.790 1.00 0.00 H new ATOM 0 HE2 TYR A 28 17.865 2.906 -20.025 1.00 0.00 H new ATOM 0 HH TYR A 28 18.401 4.699 -21.761 1.00 0.00 H new ATOM 425 N ILE A 29 20.613 -2.163 -19.942 1.00 0.00 N ATOM 426 CA ILE A 29 21.105 -2.480 -18.610 1.00 0.00 C ATOM 427 C ILE A 29 21.682 -1.263 -17.902 1.00 0.00 C ATOM 428 O ILE A 29 22.185 -0.336 -18.537 1.00 0.00 O ATOM 429 CB ILE A 29 22.156 -3.618 -18.658 1.00 0.00 C ATOM 430 CG1 ILE A 29 23.220 -3.370 -19.743 1.00 0.00 C ATOM 431 CG2 ILE A 29 21.468 -4.950 -18.896 1.00 0.00 C ATOM 432 CD1 ILE A 29 24.342 -2.440 -19.323 1.00 0.00 C ATOM 0 H ILE A 29 21.295 -1.712 -20.551 1.00 0.00 H new ATOM 0 HA ILE A 29 20.244 -2.819 -18.034 1.00 0.00 H new ATOM 0 HB ILE A 29 22.667 -3.639 -17.695 1.00 0.00 H new ATOM 0 HG12 ILE A 29 23.650 -4.327 -20.038 1.00 0.00 H new ATOM 0 HG13 ILE A 29 22.732 -2.955 -20.625 1.00 0.00 H new ATOM 0 HG21 ILE A 29 22.214 -5.744 -18.928 1.00 0.00 H new ATOM 0 HG22 ILE A 29 20.764 -5.146 -18.087 1.00 0.00 H new ATOM 0 HG23 ILE A 29 20.931 -4.918 -19.844 1.00 0.00 H new ATOM 0 HD11 ILE A 29 25.045 -2.322 -20.148 1.00 0.00 H new ATOM 0 HD12 ILE A 29 23.928 -1.467 -19.057 1.00 0.00 H new ATOM 0 HD13 ILE A 29 24.860 -2.861 -18.462 1.00 0.00 H new ATOM 444 N VAL A 30 21.597 -1.272 -16.581 1.00 0.00 N ATOM 445 CA VAL A 30 22.134 -0.189 -15.773 1.00 0.00 C ATOM 446 C VAL A 30 23.606 -0.427 -15.462 1.00 0.00 C ATOM 447 O VAL A 30 24.063 -1.571 -15.384 1.00 0.00 O ATOM 448 CB VAL A 30 21.348 -0.010 -14.455 1.00 0.00 C ATOM 449 CG1 VAL A 30 19.929 0.448 -14.742 1.00 0.00 C ATOM 450 CG2 VAL A 30 21.338 -1.298 -13.645 1.00 0.00 C ATOM 0 H VAL A 30 21.159 -2.021 -16.044 1.00 0.00 H new ATOM 0 HA VAL A 30 22.031 0.726 -16.357 1.00 0.00 H new ATOM 0 HB VAL A 30 21.849 0.756 -13.864 1.00 0.00 H new ATOM 0 HG11 VAL A 30 19.389 0.569 -13.803 1.00 0.00 H new ATOM 0 HG12 VAL A 30 19.954 1.400 -15.272 1.00 0.00 H new ATOM 0 HG13 VAL A 30 19.424 -0.296 -15.358 1.00 0.00 H new ATOM 0 HG21 VAL A 30 20.778 -1.143 -12.723 1.00 0.00 H new ATOM 0 HG22 VAL A 30 20.867 -2.090 -14.227 1.00 0.00 H new ATOM 0 HG23 VAL A 30 22.362 -1.584 -13.404 1.00 0.00 H new ATOM 460 N ARG A 31 24.344 0.653 -15.293 1.00 0.00 N ATOM 461 CA ARG A 31 25.766 0.577 -15.023 1.00 0.00 C ATOM 462 C ARG A 31 26.142 1.600 -13.956 1.00 0.00 C ATOM 463 O ARG A 31 25.760 2.766 -14.044 1.00 0.00 O ATOM 464 CB ARG A 31 26.546 0.836 -16.315 1.00 0.00 C ATOM 465 CG ARG A 31 28.050 0.638 -16.200 1.00 0.00 C ATOM 466 CD ARG A 31 28.442 -0.833 -16.124 1.00 0.00 C ATOM 467 NE ARG A 31 28.077 -1.458 -14.850 1.00 0.00 N ATOM 468 CZ ARG A 31 28.962 -1.897 -13.954 1.00 0.00 C ATOM 469 NH1 ARG A 31 30.265 -1.731 -14.156 1.00 0.00 N ATOM 470 NH2 ARG A 31 28.534 -2.496 -12.852 1.00 0.00 N ATOM 0 H ARG A 31 23.977 1.603 -15.339 1.00 0.00 H new ATOM 0 HA ARG A 31 26.017 -0.418 -14.655 1.00 0.00 H new ATOM 0 HB2 ARG A 31 26.165 0.174 -17.093 1.00 0.00 H new ATOM 0 HB3 ARG A 31 26.352 1.857 -16.642 1.00 0.00 H new ATOM 0 HG2 ARG A 31 28.540 1.097 -17.058 1.00 0.00 H new ATOM 0 HG3 ARG A 31 28.414 1.154 -15.311 1.00 0.00 H new ATOM 0 HD2 ARG A 31 27.961 -1.374 -16.939 1.00 0.00 H new ATOM 0 HD3 ARG A 31 29.518 -0.925 -16.272 1.00 0.00 H new ATOM 0 HE ARG A 31 27.085 -1.564 -14.635 1.00 0.00 H new ATOM 0 HH11 ARG A 31 30.595 -1.265 -15.001 1.00 0.00 H new ATOM 0 HH12 ARG A 31 30.935 -2.070 -13.466 1.00 0.00 H new ATOM 0 HH21 ARG A 31 27.534 -2.619 -12.694 1.00 0.00 H new ATOM 0 HH22 ARG A 31 29.205 -2.834 -12.162 1.00 0.00 H new ATOM 484 N PHE A 32 26.885 1.163 -12.951 1.00 0.00 N ATOM 485 CA PHE A 32 27.268 2.046 -11.857 1.00 0.00 C ATOM 486 C PHE A 32 28.555 2.786 -12.205 1.00 0.00 C ATOM 487 O PHE A 32 28.723 3.960 -11.871 1.00 0.00 O ATOM 488 CB PHE A 32 27.437 1.245 -10.563 1.00 0.00 C ATOM 489 CG PHE A 32 27.425 2.091 -9.321 1.00 0.00 C ATOM 490 CD1 PHE A 32 26.225 2.511 -8.767 1.00 0.00 C ATOM 491 CD2 PHE A 32 28.609 2.464 -8.705 1.00 0.00 C ATOM 492 CE1 PHE A 32 26.207 3.287 -7.623 1.00 0.00 C ATOM 493 CE2 PHE A 32 28.595 3.239 -7.562 1.00 0.00 C ATOM 494 CZ PHE A 32 27.394 3.651 -7.020 1.00 0.00 C ATOM 0 H PHE A 32 27.234 0.208 -12.869 1.00 0.00 H new ATOM 0 HA PHE A 32 26.478 2.781 -11.704 1.00 0.00 H new ATOM 0 HB2 PHE A 32 26.638 0.507 -10.496 1.00 0.00 H new ATOM 0 HB3 PHE A 32 28.377 0.694 -10.607 1.00 0.00 H new ATOM 0 HD1 PHE A 32 25.293 2.228 -9.235 1.00 0.00 H new ATOM 0 HD2 PHE A 32 29.552 2.145 -9.123 1.00 0.00 H new ATOM 0 HE1 PHE A 32 25.266 3.608 -7.202 1.00 0.00 H new ATOM 0 HE2 PHE A 32 29.525 3.523 -7.092 1.00 0.00 H new ATOM 0 HZ PHE A 32 27.383 4.257 -6.126 1.00 0.00 H new ATOM 504 N SER A 33 29.458 2.090 -12.881 1.00 0.00 N ATOM 505 CA SER A 33 30.705 2.684 -13.329 1.00 0.00 C ATOM 506 C SER A 33 30.581 3.154 -14.776 1.00 0.00 C ATOM 507 O SER A 33 30.500 2.342 -15.697 1.00 0.00 O ATOM 508 CB SER A 33 31.841 1.671 -13.194 1.00 0.00 C ATOM 509 OG SER A 33 31.950 1.207 -11.858 1.00 0.00 O ATOM 0 H SER A 33 29.347 1.107 -13.131 1.00 0.00 H new ATOM 0 HA SER A 33 30.928 3.549 -12.705 1.00 0.00 H new ATOM 0 HB2 SER A 33 31.663 0.828 -13.862 1.00 0.00 H new ATOM 0 HB3 SER A 33 32.781 2.129 -13.502 1.00 0.00 H new ATOM 0 HG SER A 33 32.682 0.559 -11.796 1.00 0.00 H new ATOM 515 N GLU A 34 30.569 4.467 -14.965 1.00 0.00 N ATOM 516 CA GLU A 34 30.412 5.070 -16.289 1.00 0.00 C ATOM 517 C GLU A 34 31.561 4.666 -17.219 1.00 0.00 C ATOM 518 O GLU A 34 31.420 4.670 -18.438 1.00 0.00 O ATOM 519 CB GLU A 34 30.363 6.594 -16.153 1.00 0.00 C ATOM 520 CG GLU A 34 30.075 7.330 -17.450 1.00 0.00 C ATOM 521 CD GLU A 34 30.452 8.794 -17.371 1.00 0.00 C ATOM 522 OE1 GLU A 34 31.655 9.104 -17.494 1.00 0.00 O ATOM 523 OE2 GLU A 34 29.558 9.642 -17.173 1.00 0.00 O ATOM 0 H GLU A 34 30.667 5.145 -14.210 1.00 0.00 H new ATOM 0 HA GLU A 34 29.481 4.709 -16.726 1.00 0.00 H new ATOM 0 HB2 GLU A 34 29.598 6.857 -15.422 1.00 0.00 H new ATOM 0 HB3 GLU A 34 31.316 6.942 -15.756 1.00 0.00 H new ATOM 0 HG2 GLU A 34 30.625 6.858 -18.264 1.00 0.00 H new ATOM 0 HG3 GLU A 34 29.015 7.242 -17.689 1.00 0.00 H new ATOM 530 N ASP A 35 32.690 4.297 -16.625 1.00 0.00 N ATOM 531 CA ASP A 35 33.896 3.953 -17.378 1.00 0.00 C ATOM 532 C ASP A 35 33.791 2.570 -18.032 1.00 0.00 C ATOM 533 O ASP A 35 34.616 2.207 -18.871 1.00 0.00 O ATOM 534 CB ASP A 35 35.113 4.009 -16.445 1.00 0.00 C ATOM 535 CG ASP A 35 36.399 3.540 -17.102 1.00 0.00 C ATOM 536 OD1 ASP A 35 36.870 4.203 -18.045 1.00 0.00 O ATOM 537 OD2 ASP A 35 36.956 2.511 -16.658 1.00 0.00 O ATOM 0 H ASP A 35 32.798 4.227 -15.613 1.00 0.00 H new ATOM 0 HA ASP A 35 34.011 4.680 -18.182 1.00 0.00 H new ATOM 0 HB2 ASP A 35 35.245 5.032 -16.094 1.00 0.00 H new ATOM 0 HB3 ASP A 35 34.917 3.394 -15.567 1.00 0.00 H new ATOM 542 N SER A 36 32.760 1.815 -17.676 1.00 0.00 N ATOM 543 CA SER A 36 32.606 0.452 -18.174 1.00 0.00 C ATOM 544 C SER A 36 32.059 0.431 -19.605 1.00 0.00 C ATOM 545 O SER A 36 31.006 -0.151 -19.878 1.00 0.00 O ATOM 546 CB SER A 36 31.692 -0.344 -17.245 1.00 0.00 C ATOM 547 OG SER A 36 32.161 -0.301 -15.906 1.00 0.00 O ATOM 0 H SER A 36 32.019 2.121 -17.046 1.00 0.00 H new ATOM 0 HA SER A 36 33.593 -0.011 -18.192 1.00 0.00 H new ATOM 0 HB2 SER A 36 30.680 0.059 -17.292 1.00 0.00 H new ATOM 0 HB3 SER A 36 31.639 -1.379 -17.582 1.00 0.00 H new ATOM 0 HG SER A 36 32.499 -1.184 -15.649 1.00 0.00 H new ATOM 553 N PHE A 37 32.784 1.071 -20.509 1.00 0.00 N ATOM 554 CA PHE A 37 32.443 1.073 -21.923 1.00 0.00 C ATOM 555 C PHE A 37 33.724 1.034 -22.743 1.00 0.00 C ATOM 556 O PHE A 37 34.813 1.213 -22.199 1.00 0.00 O ATOM 557 CB PHE A 37 31.611 2.311 -22.289 1.00 0.00 C ATOM 558 CG PHE A 37 32.389 3.599 -22.304 1.00 0.00 C ATOM 559 CD1 PHE A 37 32.817 4.185 -21.124 1.00 0.00 C ATOM 560 CD2 PHE A 37 32.692 4.223 -23.504 1.00 0.00 C ATOM 561 CE1 PHE A 37 33.529 5.369 -21.140 1.00 0.00 C ATOM 562 CE2 PHE A 37 33.403 5.407 -23.526 1.00 0.00 C ATOM 563 CZ PHE A 37 33.823 5.980 -22.342 1.00 0.00 C ATOM 0 H PHE A 37 33.624 1.603 -20.284 1.00 0.00 H new ATOM 0 HA PHE A 37 31.839 0.193 -22.143 1.00 0.00 H new ATOM 0 HB2 PHE A 37 31.166 2.158 -23.272 1.00 0.00 H new ATOM 0 HB3 PHE A 37 30.789 2.405 -21.579 1.00 0.00 H new ATOM 0 HD1 PHE A 37 32.591 3.711 -20.180 1.00 0.00 H new ATOM 0 HD2 PHE A 37 32.368 3.778 -24.433 1.00 0.00 H new ATOM 0 HE1 PHE A 37 33.855 5.816 -20.213 1.00 0.00 H new ATOM 0 HE2 PHE A 37 33.630 5.884 -24.468 1.00 0.00 H new ATOM 0 HZ PHE A 37 34.381 6.905 -22.357 1.00 0.00 H new ATOM 573 N GLY A 38 33.601 0.803 -24.038 1.00 0.00 N ATOM 574 CA GLY A 38 34.775 0.727 -24.881 1.00 0.00 C ATOM 575 C GLY A 38 34.623 1.519 -26.160 1.00 0.00 C ATOM 576 O GLY A 38 33.963 2.555 -26.181 1.00 0.00 O ATOM 0 H GLY A 38 32.713 0.667 -24.521 1.00 0.00 H new ATOM 0 HA2 GLY A 38 35.639 1.097 -24.329 1.00 0.00 H new ATOM 0 HA3 GLY A 38 34.976 -0.316 -25.125 1.00 0.00 H new ATOM 580 N MET A 39 35.224 1.019 -27.227 1.00 0.00 N ATOM 581 CA MET A 39 35.159 1.670 -28.529 1.00 0.00 C ATOM 582 C MET A 39 33.926 1.195 -29.282 1.00 0.00 C ATOM 583 O MET A 39 33.452 1.852 -30.209 1.00 0.00 O ATOM 584 CB MET A 39 36.415 1.359 -29.347 1.00 0.00 C ATOM 585 CG MET A 39 37.703 1.867 -28.717 1.00 0.00 C ATOM 586 SD MET A 39 39.173 1.371 -29.641 1.00 0.00 S ATOM 587 CE MET A 39 38.849 2.124 -31.235 1.00 0.00 C ATOM 0 H MET A 39 35.768 0.156 -27.218 1.00 0.00 H new ATOM 0 HA MET A 39 35.098 2.748 -28.377 1.00 0.00 H new ATOM 0 HB2 MET A 39 36.490 0.280 -29.483 1.00 0.00 H new ATOM 0 HB3 MET A 39 36.309 1.799 -30.339 1.00 0.00 H new ATOM 0 HG2 MET A 39 37.668 2.955 -28.655 1.00 0.00 H new ATOM 0 HG3 MET A 39 37.776 1.491 -27.696 1.00 0.00 H new ATOM 0 HE1 MET A 39 39.774 2.171 -31.810 1.00 0.00 H new ATOM 0 HE2 MET A 39 38.115 1.528 -31.777 1.00 0.00 H new ATOM 0 HE3 MET A 39 38.461 3.132 -31.089 1.00 0.00 H new ATOM 597 N ASP A 40 33.422 0.035 -28.882 1.00 0.00 N ATOM 598 CA ASP A 40 32.221 -0.533 -29.485 1.00 0.00 C ATOM 599 C ASP A 40 30.985 0.204 -28.986 1.00 0.00 C ATOM 600 O ASP A 40 30.072 0.509 -29.754 1.00 0.00 O ATOM 601 CB ASP A 40 32.111 -2.022 -29.146 1.00 0.00 C ATOM 602 CG ASP A 40 30.988 -2.716 -29.895 1.00 0.00 C ATOM 603 OD1 ASP A 40 29.809 -2.504 -29.554 1.00 0.00 O ATOM 604 OD2 ASP A 40 31.286 -3.497 -30.823 1.00 0.00 O ATOM 0 H ASP A 40 33.828 -0.534 -28.139 1.00 0.00 H new ATOM 0 HA ASP A 40 32.289 -0.421 -30.567 1.00 0.00 H new ATOM 0 HB2 ASP A 40 33.055 -2.514 -29.380 1.00 0.00 H new ATOM 0 HB3 ASP A 40 31.950 -2.135 -28.074 1.00 0.00 H new ATOM 609 N VAL A 41 30.976 0.500 -27.695 1.00 0.00 N ATOM 610 CA VAL A 41 29.851 1.176 -27.067 1.00 0.00 C ATOM 611 C VAL A 41 29.977 2.686 -27.238 1.00 0.00 C ATOM 612 O VAL A 41 31.018 3.268 -26.933 1.00 0.00 O ATOM 613 CB VAL A 41 29.758 0.837 -25.563 1.00 0.00 C ATOM 614 CG1 VAL A 41 28.536 1.490 -24.932 1.00 0.00 C ATOM 615 CG2 VAL A 41 29.728 -0.670 -25.354 1.00 0.00 C ATOM 0 H VAL A 41 31.742 0.281 -27.058 1.00 0.00 H new ATOM 0 HA VAL A 41 28.943 0.826 -27.558 1.00 0.00 H new ATOM 0 HB VAL A 41 30.646 1.235 -25.072 1.00 0.00 H new ATOM 0 HG11 VAL A 41 28.494 1.236 -23.873 1.00 0.00 H new ATOM 0 HG12 VAL A 41 28.604 2.572 -25.043 1.00 0.00 H new ATOM 0 HG13 VAL A 41 27.634 1.130 -25.428 1.00 0.00 H new ATOM 0 HG21 VAL A 41 29.662 -0.888 -24.288 1.00 0.00 H new ATOM 0 HG22 VAL A 41 28.862 -1.091 -25.865 1.00 0.00 H new ATOM 0 HG23 VAL A 41 30.638 -1.112 -25.759 1.00 0.00 H new ATOM 625 N ALA A 42 28.918 3.309 -27.735 1.00 0.00 N ATOM 626 CA ALA A 42 28.906 4.747 -27.954 1.00 0.00 C ATOM 627 C ALA A 42 28.722 5.499 -26.640 1.00 0.00 C ATOM 628 O ALA A 42 28.009 5.037 -25.746 1.00 0.00 O ATOM 629 CB ALA A 42 27.802 5.118 -28.931 1.00 0.00 C ATOM 0 H ALA A 42 28.052 2.837 -27.995 1.00 0.00 H new ATOM 0 HA ALA A 42 29.868 5.035 -28.378 1.00 0.00 H new ATOM 0 HB1 ALA A 42 27.802 6.197 -29.088 1.00 0.00 H new ATOM 0 HB2 ALA A 42 27.973 4.613 -29.882 1.00 0.00 H new ATOM 0 HB3 ALA A 42 26.838 4.810 -28.525 1.00 0.00 H new ATOM 635 N ASP A 43 29.356 6.663 -26.538 1.00 0.00 N ATOM 636 CA ASP A 43 29.270 7.492 -25.334 1.00 0.00 C ATOM 637 C ASP A 43 27.832 7.936 -25.119 1.00 0.00 C ATOM 638 O ASP A 43 27.351 8.030 -23.990 1.00 0.00 O ATOM 639 CB ASP A 43 30.149 8.745 -25.457 1.00 0.00 C ATOM 640 CG ASP A 43 31.370 8.542 -26.327 1.00 0.00 C ATOM 641 OD1 ASP A 43 31.246 8.693 -27.564 1.00 0.00 O ATOM 642 OD2 ASP A 43 32.457 8.243 -25.791 1.00 0.00 O ATOM 0 H ASP A 43 29.938 7.057 -27.277 1.00 0.00 H new ATOM 0 HA ASP A 43 29.618 6.893 -24.493 1.00 0.00 H new ATOM 0 HB2 ASP A 43 29.552 9.559 -25.867 1.00 0.00 H new ATOM 0 HB3 ASP A 43 30.469 9.054 -24.462 1.00 0.00 H new ATOM 647 N ASP A 44 27.151 8.183 -26.231 1.00 0.00 N ATOM 648 CA ASP A 44 25.785 8.697 -26.224 1.00 0.00 C ATOM 649 C ASP A 44 24.798 7.662 -25.699 1.00 0.00 C ATOM 650 O ASP A 44 23.655 7.991 -25.380 1.00 0.00 O ATOM 651 CB ASP A 44 25.376 9.113 -27.638 1.00 0.00 C ATOM 652 CG ASP A 44 26.260 10.201 -28.217 1.00 0.00 C ATOM 653 OD1 ASP A 44 27.444 9.922 -28.510 1.00 0.00 O ATOM 654 OD2 ASP A 44 25.767 11.334 -28.410 1.00 0.00 O ATOM 0 H ASP A 44 27.530 8.033 -27.166 1.00 0.00 H new ATOM 0 HA ASP A 44 25.761 9.561 -25.559 1.00 0.00 H new ATOM 0 HB2 ASP A 44 25.409 8.241 -28.291 1.00 0.00 H new ATOM 0 HB3 ASP A 44 24.343 9.462 -27.623 1.00 0.00 H new ATOM 659 N SER A 45 25.228 6.410 -25.625 1.00 0.00 N ATOM 660 CA SER A 45 24.369 5.348 -25.127 1.00 0.00 C ATOM 661 C SER A 45 24.271 5.428 -23.607 1.00 0.00 C ATOM 662 O SER A 45 23.229 5.123 -23.023 1.00 0.00 O ATOM 663 CB SER A 45 24.898 3.974 -25.557 1.00 0.00 C ATOM 664 OG SER A 45 24.011 2.936 -25.171 1.00 0.00 O ATOM 0 H SER A 45 26.162 6.107 -25.902 1.00 0.00 H new ATOM 0 HA SER A 45 23.374 5.477 -25.554 1.00 0.00 H new ATOM 0 HB2 SER A 45 25.033 3.956 -26.638 1.00 0.00 H new ATOM 0 HB3 SER A 45 25.878 3.803 -25.110 1.00 0.00 H new ATOM 0 HG SER A 45 24.373 2.072 -25.459 1.00 0.00 H new ATOM 670 N ILE A 46 25.356 5.865 -22.977 1.00 0.00 N ATOM 671 CA ILE A 46 25.409 5.977 -21.529 1.00 0.00 C ATOM 672 C ILE A 46 24.577 7.164 -21.061 1.00 0.00 C ATOM 673 O ILE A 46 24.950 8.318 -21.265 1.00 0.00 O ATOM 674 CB ILE A 46 26.861 6.141 -21.029 1.00 0.00 C ATOM 675 CG1 ILE A 46 27.735 4.996 -21.552 1.00 0.00 C ATOM 676 CG2 ILE A 46 26.899 6.187 -19.506 1.00 0.00 C ATOM 677 CD1 ILE A 46 29.198 5.131 -21.188 1.00 0.00 C ATOM 0 H ILE A 46 26.213 6.148 -23.452 1.00 0.00 H new ATOM 0 HA ILE A 46 25.002 5.056 -21.113 1.00 0.00 H new ATOM 0 HB ILE A 46 27.255 7.082 -21.411 1.00 0.00 H new ATOM 0 HG12 ILE A 46 27.357 4.053 -21.157 1.00 0.00 H new ATOM 0 HG13 ILE A 46 27.643 4.947 -22.637 1.00 0.00 H new ATOM 0 HG21 ILE A 46 27.930 6.303 -19.171 1.00 0.00 H new ATOM 0 HG22 ILE A 46 26.306 7.030 -19.153 1.00 0.00 H new ATOM 0 HG23 ILE A 46 26.489 5.261 -19.104 1.00 0.00 H new ATOM 0 HD11 ILE A 46 29.753 4.284 -21.592 1.00 0.00 H new ATOM 0 HD12 ILE A 46 29.593 6.057 -21.606 1.00 0.00 H new ATOM 0 HD13 ILE A 46 29.303 5.149 -20.103 1.00 0.00 H new ATOM 689 N THR A 47 23.443 6.871 -20.455 1.00 0.00 N ATOM 690 CA THR A 47 22.539 7.899 -19.989 1.00 0.00 C ATOM 691 C THR A 47 22.296 7.752 -18.492 1.00 0.00 C ATOM 692 O THR A 47 22.032 6.653 -18.013 1.00 0.00 O ATOM 693 CB THR A 47 21.193 7.804 -20.732 1.00 0.00 C ATOM 694 OG1 THR A 47 21.423 7.749 -22.147 1.00 0.00 O ATOM 695 CG2 THR A 47 20.295 8.989 -20.404 1.00 0.00 C ATOM 0 H THR A 47 23.125 5.919 -20.274 1.00 0.00 H new ATOM 0 HA THR A 47 22.995 8.869 -20.188 1.00 0.00 H new ATOM 0 HB THR A 47 20.689 6.895 -20.405 1.00 0.00 H new ATOM 0 HG1 THR A 47 20.565 7.687 -22.616 1.00 0.00 H new ATOM 0 HG21 THR A 47 19.353 8.892 -20.944 1.00 0.00 H new ATOM 0 HG22 THR A 47 20.098 9.011 -19.332 1.00 0.00 H new ATOM 0 HG23 THR A 47 20.790 9.914 -20.701 1.00 0.00 H new ATOM 703 N PRO A 48 22.416 8.843 -17.728 1.00 0.00 N ATOM 704 CA PRO A 48 22.039 8.848 -16.315 1.00 0.00 C ATOM 705 C PRO A 48 20.593 8.394 -16.139 1.00 0.00 C ATOM 706 O PRO A 48 19.708 8.849 -16.862 1.00 0.00 O ATOM 707 CB PRO A 48 22.193 10.314 -15.901 1.00 0.00 C ATOM 708 CG PRO A 48 23.143 10.900 -16.889 1.00 0.00 C ATOM 709 CD PRO A 48 22.940 10.144 -18.174 1.00 0.00 C ATOM 0 HA PRO A 48 22.647 8.170 -15.716 1.00 0.00 H new ATOM 0 HB2 PRO A 48 21.234 10.832 -15.921 1.00 0.00 H new ATOM 0 HB3 PRO A 48 22.579 10.398 -14.885 1.00 0.00 H new ATOM 0 HG2 PRO A 48 22.950 11.964 -17.030 1.00 0.00 H new ATOM 0 HG3 PRO A 48 24.172 10.806 -16.541 1.00 0.00 H new ATOM 0 HD2 PRO A 48 22.238 10.655 -18.834 1.00 0.00 H new ATOM 0 HD3 PRO A 48 23.873 10.033 -18.726 1.00 0.00 H new ATOM 717 N THR A 49 20.354 7.496 -15.193 1.00 0.00 N ATOM 718 CA THR A 49 19.021 6.937 -14.991 1.00 0.00 C ATOM 719 C THR A 49 17.989 8.029 -14.684 1.00 0.00 C ATOM 720 O THR A 49 16.829 7.913 -15.073 1.00 0.00 O ATOM 721 CB THR A 49 19.012 5.863 -13.877 1.00 0.00 C ATOM 722 OG1 THR A 49 17.683 5.360 -13.682 1.00 0.00 O ATOM 723 CG2 THR A 49 19.549 6.415 -12.564 1.00 0.00 C ATOM 0 H THR A 49 21.064 7.138 -14.553 1.00 0.00 H new ATOM 0 HA THR A 49 18.740 6.456 -15.928 1.00 0.00 H new ATOM 0 HB THR A 49 19.665 5.051 -14.197 1.00 0.00 H new ATOM 0 HG1 THR A 49 17.691 4.680 -12.976 1.00 0.00 H new ATOM 0 HG21 THR A 49 19.528 5.633 -11.805 1.00 0.00 H new ATOM 0 HG22 THR A 49 20.575 6.756 -12.705 1.00 0.00 H new ATOM 0 HG23 THR A 49 18.930 7.252 -12.241 1.00 0.00 H new ATOM 731 N SER A 50 18.420 9.096 -14.020 1.00 0.00 N ATOM 732 CA SER A 50 17.536 10.212 -13.707 1.00 0.00 C ATOM 733 C SER A 50 17.236 11.045 -14.951 1.00 0.00 C ATOM 734 O SER A 50 16.204 11.704 -15.036 1.00 0.00 O ATOM 735 CB SER A 50 18.172 11.079 -12.626 1.00 0.00 C ATOM 736 OG SER A 50 19.586 11.074 -12.744 1.00 0.00 O ATOM 0 H SER A 50 19.378 9.211 -13.688 1.00 0.00 H new ATOM 0 HA SER A 50 16.590 9.813 -13.340 1.00 0.00 H new ATOM 0 HB2 SER A 50 17.799 12.100 -12.706 1.00 0.00 H new ATOM 0 HB3 SER A 50 17.883 10.711 -11.641 1.00 0.00 H new ATOM 0 HG SER A 50 19.967 10.452 -12.089 1.00 0.00 H new ATOM 742 N GLU A 51 18.138 10.997 -15.919 1.00 0.00 N ATOM 743 CA GLU A 51 17.970 11.735 -17.160 1.00 0.00 C ATOM 744 C GLU A 51 17.178 10.898 -18.163 1.00 0.00 C ATOM 745 O GLU A 51 16.578 11.424 -19.099 1.00 0.00 O ATOM 746 CB GLU A 51 19.342 12.103 -17.732 1.00 0.00 C ATOM 747 CG GLU A 51 19.286 12.937 -19.000 1.00 0.00 C ATOM 748 CD GLU A 51 20.663 13.280 -19.525 1.00 0.00 C ATOM 749 OE1 GLU A 51 21.276 12.426 -20.198 1.00 0.00 O ATOM 750 OE2 GLU A 51 21.139 14.403 -19.264 1.00 0.00 O ATOM 0 H GLU A 51 18.998 10.451 -15.868 1.00 0.00 H new ATOM 0 HA GLU A 51 17.415 12.652 -16.962 1.00 0.00 H new ATOM 0 HB2 GLU A 51 19.903 12.651 -16.975 1.00 0.00 H new ATOM 0 HB3 GLU A 51 19.895 11.186 -17.938 1.00 0.00 H new ATOM 0 HG2 GLU A 51 18.733 12.393 -19.766 1.00 0.00 H new ATOM 0 HG3 GLU A 51 18.736 13.857 -18.803 1.00 0.00 H new ATOM 757 N PHE A 52 17.172 9.589 -17.947 1.00 0.00 N ATOM 758 CA PHE A 52 16.487 8.664 -18.840 1.00 0.00 C ATOM 759 C PHE A 52 14.980 8.688 -18.609 1.00 0.00 C ATOM 760 O PHE A 52 14.200 8.449 -19.529 1.00 0.00 O ATOM 761 CB PHE A 52 17.024 7.239 -18.648 1.00 0.00 C ATOM 762 CG PHE A 52 16.389 6.229 -19.564 1.00 0.00 C ATOM 763 CD1 PHE A 52 16.619 6.279 -20.929 1.00 0.00 C ATOM 764 CD2 PHE A 52 15.555 5.238 -19.063 1.00 0.00 C ATOM 765 CE1 PHE A 52 16.035 5.361 -21.778 1.00 0.00 C ATOM 766 CE2 PHE A 52 14.968 4.319 -19.909 1.00 0.00 C ATOM 767 CZ PHE A 52 15.208 4.381 -21.268 1.00 0.00 C ATOM 0 H PHE A 52 17.637 9.142 -17.156 1.00 0.00 H new ATOM 0 HA PHE A 52 16.681 8.984 -19.864 1.00 0.00 H new ATOM 0 HB2 PHE A 52 18.101 7.240 -18.813 1.00 0.00 H new ATOM 0 HB3 PHE A 52 16.860 6.934 -17.615 1.00 0.00 H new ATOM 0 HD1 PHE A 52 17.263 7.046 -21.334 1.00 0.00 H new ATOM 0 HD2 PHE A 52 15.364 5.186 -18.001 1.00 0.00 H new ATOM 0 HE1 PHE A 52 16.225 5.409 -22.840 1.00 0.00 H new ATOM 0 HE2 PHE A 52 14.322 3.552 -19.509 1.00 0.00 H new ATOM 0 HZ PHE A 52 14.749 3.663 -21.931 1.00 0.00 H new ATOM 777 N VAL A 53 14.572 8.987 -17.383 1.00 0.00 N ATOM 778 CA VAL A 53 13.159 8.957 -17.037 1.00 0.00 C ATOM 779 C VAL A 53 12.443 10.219 -17.518 1.00 0.00 C ATOM 780 O VAL A 53 11.213 10.260 -17.587 1.00 0.00 O ATOM 781 CB VAL A 53 12.937 8.775 -15.518 1.00 0.00 C ATOM 782 CG1 VAL A 53 13.694 7.562 -15.003 1.00 0.00 C ATOM 783 CG2 VAL A 53 13.337 10.022 -14.744 1.00 0.00 C ATOM 0 H VAL A 53 15.193 9.251 -16.618 1.00 0.00 H new ATOM 0 HA VAL A 53 12.733 8.093 -17.547 1.00 0.00 H new ATOM 0 HB VAL A 53 11.871 8.611 -15.359 1.00 0.00 H new ATOM 0 HG11 VAL A 53 13.523 7.454 -13.932 1.00 0.00 H new ATOM 0 HG12 VAL A 53 13.343 6.668 -15.519 1.00 0.00 H new ATOM 0 HG13 VAL A 53 14.760 7.693 -15.189 1.00 0.00 H new ATOM 0 HG21 VAL A 53 13.168 9.859 -13.680 1.00 0.00 H new ATOM 0 HG22 VAL A 53 14.392 10.234 -14.916 1.00 0.00 H new ATOM 0 HG23 VAL A 53 12.738 10.868 -15.081 1.00 0.00 H new ATOM 793 N TRP A 54 13.215 11.242 -17.862 1.00 0.00 N ATOM 794 CA TRP A 54 12.646 12.481 -18.368 1.00 0.00 C ATOM 795 C TRP A 54 12.795 12.554 -19.881 1.00 0.00 C ATOM 796 O TRP A 54 13.906 12.572 -20.412 1.00 0.00 O ATOM 797 CB TRP A 54 13.302 13.698 -17.710 1.00 0.00 C ATOM 798 CG TRP A 54 13.013 13.804 -16.243 1.00 0.00 C ATOM 799 CD1 TRP A 54 13.877 13.551 -15.220 1.00 0.00 C ATOM 800 CD2 TRP A 54 11.771 14.184 -15.636 1.00 0.00 C ATOM 801 NE1 TRP A 54 13.252 13.750 -14.014 1.00 0.00 N ATOM 802 CE2 TRP A 54 11.959 14.139 -14.241 1.00 0.00 C ATOM 803 CE3 TRP A 54 10.519 14.557 -16.135 1.00 0.00 C ATOM 804 CZ2 TRP A 54 10.943 14.454 -13.342 1.00 0.00 C ATOM 805 CZ3 TRP A 54 9.513 14.870 -15.241 1.00 0.00 C ATOM 806 CH2 TRP A 54 9.729 14.817 -13.859 1.00 0.00 C ATOM 0 H TRP A 54 14.233 11.237 -17.800 1.00 0.00 H new ATOM 0 HA TRP A 54 11.585 12.492 -18.118 1.00 0.00 H new ATOM 0 HB2 TRP A 54 14.381 13.646 -17.858 1.00 0.00 H new ATOM 0 HB3 TRP A 54 12.955 14.603 -18.208 1.00 0.00 H new ATOM 0 HD1 TRP A 54 14.904 13.239 -15.340 1.00 0.00 H new ATOM 0 HE1 TRP A 54 13.682 13.628 -13.097 1.00 0.00 H new ATOM 0 HE3 TRP A 54 10.342 14.600 -17.199 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 11.107 14.413 -12.275 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 8.543 15.161 -15.615 1.00 0.00 H new ATOM 0 HH2 TRP A 54 8.921 15.068 -13.187 1.00 0.00 H new ATOM 817 N SER A 55 11.667 12.583 -20.563 1.00 0.00 N ATOM 818 CA SER A 55 11.648 12.649 -22.010 1.00 0.00 C ATOM 819 C SER A 55 11.686 14.107 -22.459 1.00 0.00 C ATOM 820 O SER A 55 10.905 14.935 -21.981 1.00 0.00 O ATOM 821 CB SER A 55 10.394 11.947 -22.540 1.00 0.00 C ATOM 822 OG SER A 55 10.384 11.888 -23.955 1.00 0.00 O ATOM 0 H SER A 55 10.743 12.562 -20.132 1.00 0.00 H new ATOM 0 HA SER A 55 12.525 12.142 -22.413 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.343 10.937 -22.134 1.00 0.00 H new ATOM 0 HB3 SER A 55 9.507 12.476 -22.192 1.00 0.00 H new ATOM 0 HG SER A 55 9.571 11.432 -24.258 1.00 0.00 H new ATOM 828 N SER A 56 12.605 14.415 -23.361 1.00 0.00 N ATOM 829 CA SER A 56 12.774 15.771 -23.854 1.00 0.00 C ATOM 830 C SER A 56 11.816 16.036 -25.012 1.00 0.00 C ATOM 831 O SER A 56 11.842 15.332 -26.025 1.00 0.00 O ATOM 832 CB SER A 56 14.222 15.972 -24.293 1.00 0.00 C ATOM 833 OG SER A 56 15.115 15.645 -23.240 1.00 0.00 O ATOM 0 H SER A 56 13.249 13.737 -23.769 1.00 0.00 H new ATOM 0 HA SER A 56 12.544 16.479 -23.058 1.00 0.00 H new ATOM 0 HB2 SER A 56 14.433 15.349 -25.162 1.00 0.00 H new ATOM 0 HB3 SER A 56 14.375 17.007 -24.598 1.00 0.00 H new ATOM 0 HG SER A 56 14.798 16.049 -22.405 1.00 0.00 H new ATOM 839 N VAL A 57 10.963 17.043 -24.858 1.00 0.00 N ATOM 840 CA VAL A 57 9.915 17.303 -25.838 1.00 0.00 C ATOM 841 C VAL A 57 9.876 18.763 -26.289 1.00 0.00 C ATOM 842 O VAL A 57 8.908 19.189 -26.923 1.00 0.00 O ATOM 843 CB VAL A 57 8.528 16.911 -25.286 1.00 0.00 C ATOM 844 CG1 VAL A 57 8.414 15.402 -25.142 1.00 0.00 C ATOM 845 CG2 VAL A 57 8.266 17.596 -23.951 1.00 0.00 C ATOM 0 H VAL A 57 10.976 17.689 -24.069 1.00 0.00 H new ATOM 0 HA VAL A 57 10.157 16.687 -26.704 1.00 0.00 H new ATOM 0 HB VAL A 57 7.773 17.246 -25.997 1.00 0.00 H new ATOM 0 HG11 VAL A 57 7.429 15.147 -24.751 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.551 14.932 -26.116 1.00 0.00 H new ATOM 0 HG13 VAL A 57 9.180 15.043 -24.455 1.00 0.00 H new ATOM 0 HG21 VAL A 57 7.283 17.306 -23.580 1.00 0.00 H new ATOM 0 HG22 VAL A 57 9.028 17.296 -23.232 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.299 18.677 -24.084 1.00 0.00 H new ATOM 855 N ARG A 58 10.917 19.528 -25.976 1.00 0.00 N ATOM 856 CA ARG A 58 10.993 20.921 -26.413 1.00 0.00 C ATOM 857 C ARG A 58 12.387 21.503 -26.177 1.00 0.00 C ATOM 858 O ARG A 58 13.189 21.611 -27.107 1.00 0.00 O ATOM 859 CB ARG A 58 9.939 21.785 -25.704 1.00 0.00 C ATOM 860 CG ARG A 58 9.992 23.244 -26.123 1.00 0.00 C ATOM 861 CD ARG A 58 9.041 24.112 -25.317 1.00 0.00 C ATOM 862 NE ARG A 58 9.471 25.510 -25.319 1.00 0.00 N ATOM 863 CZ ARG A 58 8.681 26.548 -25.047 1.00 0.00 C ATOM 864 NH1 ARG A 58 7.382 26.371 -24.832 1.00 0.00 N ATOM 865 NH2 ARG A 58 9.193 27.773 -25.022 1.00 0.00 N ATOM 0 H ARG A 58 11.715 19.212 -25.425 1.00 0.00 H new ATOM 0 HA ARG A 58 10.790 20.932 -27.484 1.00 0.00 H new ATOM 0 HB2 ARG A 58 8.947 21.387 -25.917 1.00 0.00 H new ATOM 0 HB3 ARG A 58 10.085 21.716 -24.626 1.00 0.00 H new ATOM 0 HG2 ARG A 58 11.009 23.617 -26.004 1.00 0.00 H new ATOM 0 HG3 ARG A 58 9.745 23.325 -27.182 1.00 0.00 H new ATOM 0 HD2 ARG A 58 8.036 24.037 -25.732 1.00 0.00 H new ATOM 0 HD3 ARG A 58 8.990 23.746 -24.292 1.00 0.00 H new ATOM 0 HE ARG A 58 10.446 25.704 -25.545 1.00 0.00 H new ATOM 0 HH11 ARG A 58 6.981 25.434 -24.874 1.00 0.00 H new ATOM 0 HH12 ARG A 58 6.786 27.172 -24.624 1.00 0.00 H new ATOM 0 HH21 ARG A 58 10.185 27.915 -25.210 1.00 0.00 H new ATOM 0 HH22 ARG A 58 8.594 28.572 -24.814 1.00 0.00 H new ATOM 879 N ASP A 59 12.672 21.864 -24.929 1.00 0.00 N ATOM 880 CA ASP A 59 13.940 22.499 -24.572 1.00 0.00 C ATOM 881 C ASP A 59 14.202 22.381 -23.073 1.00 0.00 C ATOM 882 O ASP A 59 15.148 21.722 -22.646 1.00 0.00 O ATOM 883 CB ASP A 59 13.972 23.979 -25.013 1.00 0.00 C ATOM 884 CG ASP A 59 12.661 24.730 -24.795 1.00 0.00 C ATOM 885 OD1 ASP A 59 11.952 24.457 -23.808 1.00 0.00 O ATOM 886 OD2 ASP A 59 12.337 25.611 -25.622 1.00 0.00 O ATOM 0 H ASP A 59 12.038 21.727 -24.142 1.00 0.00 H new ATOM 0 HA ASP A 59 14.733 21.974 -25.104 1.00 0.00 H new ATOM 0 HB2 ASP A 59 14.765 24.491 -24.468 1.00 0.00 H new ATOM 0 HB3 ASP A 59 14.231 24.025 -26.071 1.00 0.00 H new ATOM 891 N ASP A 60 13.372 23.038 -22.285 1.00 0.00 N ATOM 892 CA ASP A 60 13.422 22.927 -20.835 1.00 0.00 C ATOM 893 C ASP A 60 12.249 22.081 -20.370 1.00 0.00 C ATOM 894 O ASP A 60 12.281 21.468 -19.305 1.00 0.00 O ATOM 895 CB ASP A 60 13.365 24.316 -20.190 1.00 0.00 C ATOM 896 CG ASP A 60 13.588 24.279 -18.690 1.00 0.00 C ATOM 897 OD1 ASP A 60 14.761 24.346 -18.261 1.00 0.00 O ATOM 898 OD2 ASP A 60 12.599 24.197 -17.936 1.00 0.00 O ATOM 0 H ASP A 60 12.644 23.664 -22.629 1.00 0.00 H new ATOM 0 HA ASP A 60 14.358 22.455 -20.536 1.00 0.00 H new ATOM 0 HB2 ASP A 60 14.119 24.955 -20.649 1.00 0.00 H new ATOM 0 HB3 ASP A 60 12.395 24.768 -20.397 1.00 0.00 H new ATOM 903 N VAL A 61 11.216 22.048 -21.203 1.00 0.00 N ATOM 904 CA VAL A 61 10.019 21.271 -20.922 1.00 0.00 C ATOM 905 C VAL A 61 10.295 19.776 -21.064 1.00 0.00 C ATOM 906 O VAL A 61 10.539 19.276 -22.165 1.00 0.00 O ATOM 907 CB VAL A 61 8.859 21.665 -21.864 1.00 0.00 C ATOM 908 CG1 VAL A 61 7.591 20.901 -21.511 1.00 0.00 C ATOM 909 CG2 VAL A 61 8.613 23.166 -21.815 1.00 0.00 C ATOM 0 H VAL A 61 11.186 22.556 -22.087 1.00 0.00 H new ATOM 0 HA VAL A 61 9.729 21.489 -19.894 1.00 0.00 H new ATOM 0 HB VAL A 61 9.143 21.398 -22.882 1.00 0.00 H new ATOM 0 HG11 VAL A 61 6.789 21.195 -22.188 1.00 0.00 H new ATOM 0 HG12 VAL A 61 7.773 19.831 -21.607 1.00 0.00 H new ATOM 0 HG13 VAL A 61 7.302 21.129 -20.485 1.00 0.00 H new ATOM 0 HG21 VAL A 61 7.793 23.422 -22.485 1.00 0.00 H new ATOM 0 HG22 VAL A 61 8.355 23.459 -20.797 1.00 0.00 H new ATOM 0 HG23 VAL A 61 9.515 23.693 -22.127 1.00 0.00 H new ATOM 919 N MET A 62 10.267 19.079 -19.942 1.00 0.00 N ATOM 920 CA MET A 62 10.464 17.638 -19.919 1.00 0.00 C ATOM 921 C MET A 62 9.183 16.959 -19.461 1.00 0.00 C ATOM 922 O MET A 62 8.313 17.601 -18.873 1.00 0.00 O ATOM 923 CB MET A 62 11.607 17.267 -18.967 1.00 0.00 C ATOM 924 CG MET A 62 12.942 17.902 -19.322 1.00 0.00 C ATOM 925 SD MET A 62 13.611 17.309 -20.887 1.00 0.00 S ATOM 926 CE MET A 62 15.104 18.295 -20.999 1.00 0.00 C ATOM 0 H MET A 62 10.108 19.493 -19.023 1.00 0.00 H new ATOM 0 HA MET A 62 10.722 17.303 -20.924 1.00 0.00 H new ATOM 0 HB2 MET A 62 11.333 17.564 -17.955 1.00 0.00 H new ATOM 0 HB3 MET A 62 11.723 16.183 -18.961 1.00 0.00 H new ATOM 0 HG2 MET A 62 12.821 18.984 -19.372 1.00 0.00 H new ATOM 0 HG3 MET A 62 13.658 17.697 -18.526 1.00 0.00 H new ATOM 0 HE1 MET A 62 15.636 18.046 -21.917 1.00 0.00 H new ATOM 0 HE2 MET A 62 14.842 19.353 -21.007 1.00 0.00 H new ATOM 0 HE3 MET A 62 15.743 18.086 -20.141 1.00 0.00 H new ATOM 936 N ARG A 63 9.057 15.674 -19.737 1.00 0.00 N ATOM 937 CA ARG A 63 7.919 14.908 -19.252 1.00 0.00 C ATOM 938 C ARG A 63 8.356 13.516 -18.825 1.00 0.00 C ATOM 939 O ARG A 63 9.234 12.916 -19.445 1.00 0.00 O ATOM 940 CB ARG A 63 6.811 14.826 -20.310 1.00 0.00 C ATOM 941 CG ARG A 63 7.276 14.344 -21.675 1.00 0.00 C ATOM 942 CD ARG A 63 6.103 14.176 -22.630 1.00 0.00 C ATOM 943 NE ARG A 63 5.282 15.385 -22.708 1.00 0.00 N ATOM 944 CZ ARG A 63 3.958 15.380 -22.873 1.00 0.00 C ATOM 945 NH1 ARG A 63 3.307 14.236 -23.033 1.00 0.00 N ATOM 946 NH2 ARG A 63 3.288 16.524 -22.891 1.00 0.00 N ATOM 0 H ARG A 63 9.725 15.139 -20.292 1.00 0.00 H new ATOM 0 HA ARG A 63 7.512 15.426 -18.383 1.00 0.00 H new ATOM 0 HB2 ARG A 63 6.030 14.156 -19.949 1.00 0.00 H new ATOM 0 HB3 ARG A 63 6.359 15.812 -20.421 1.00 0.00 H new ATOM 0 HG2 ARG A 63 7.988 15.056 -22.092 1.00 0.00 H new ATOM 0 HG3 ARG A 63 7.800 13.394 -21.569 1.00 0.00 H new ATOM 0 HD2 ARG A 63 6.477 13.927 -23.623 1.00 0.00 H new ATOM 0 HD3 ARG A 63 5.486 13.339 -22.303 1.00 0.00 H new ATOM 0 HE ARG A 63 5.751 16.287 -22.631 1.00 0.00 H new ATOM 0 HH11 ARG A 63 3.818 13.353 -23.030 1.00 0.00 H new ATOM 0 HH12 ARG A 63 2.295 14.238 -23.159 1.00 0.00 H new ATOM 0 HH21 ARG A 63 3.785 17.408 -22.779 1.00 0.00 H new ATOM 0 HH22 ARG A 63 2.276 16.520 -23.017 1.00 0.00 H new ATOM 960 N LEU A 64 7.752 13.020 -17.756 1.00 0.00 N ATOM 961 CA LEU A 64 8.089 11.709 -17.222 1.00 0.00 C ATOM 962 C LEU A 64 7.672 10.631 -18.217 1.00 0.00 C ATOM 963 O LEU A 64 6.488 10.472 -18.519 1.00 0.00 O ATOM 964 CB LEU A 64 7.393 11.502 -15.867 1.00 0.00 C ATOM 965 CG LEU A 64 8.049 10.493 -14.908 1.00 0.00 C ATOM 966 CD1 LEU A 64 7.972 9.073 -15.449 1.00 0.00 C ATOM 967 CD2 LEU A 64 9.495 10.880 -14.637 1.00 0.00 C ATOM 0 H LEU A 64 7.022 13.509 -17.238 1.00 0.00 H new ATOM 0 HA LEU A 64 9.166 11.642 -17.067 1.00 0.00 H new ATOM 0 HB2 LEU A 64 7.336 12.466 -15.362 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.369 11.179 -16.055 1.00 0.00 H new ATOM 0 HG LEU A 64 7.494 10.520 -13.970 1.00 0.00 H new ATOM 0 HD11 LEU A 64 8.445 8.389 -14.745 1.00 0.00 H new ATOM 0 HD12 LEU A 64 6.928 8.791 -15.583 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.488 9.021 -16.408 1.00 0.00 H new ATOM 0 HD21 LEU A 64 9.944 10.156 -13.957 1.00 0.00 H new ATOM 0 HD22 LEU A 64 10.051 10.890 -15.575 1.00 0.00 H new ATOM 0 HD23 LEU A 64 9.528 11.871 -14.185 1.00 0.00 H new ATOM 979 N GLY A 65 8.650 9.912 -18.740 1.00 0.00 N ATOM 980 CA GLY A 65 8.367 8.867 -19.695 1.00 0.00 C ATOM 981 C GLY A 65 8.048 7.561 -19.013 1.00 0.00 C ATOM 982 O GLY A 65 8.926 6.941 -18.440 1.00 0.00 O ATOM 0 H GLY A 65 9.638 10.035 -18.519 1.00 0.00 H new ATOM 0 HA2 GLY A 65 7.527 9.165 -20.322 1.00 0.00 H new ATOM 0 HA3 GLY A 65 9.225 8.734 -20.354 1.00 0.00 H new ATOM 986 N ARG A 66 6.799 7.126 -19.095 1.00 0.00 N ATOM 987 CA ARG A 66 6.362 5.915 -18.401 1.00 0.00 C ATOM 988 C ARG A 66 7.116 4.674 -18.888 1.00 0.00 C ATOM 989 O ARG A 66 7.095 3.631 -18.236 1.00 0.00 O ATOM 990 CB ARG A 66 4.852 5.708 -18.560 1.00 0.00 C ATOM 991 CG ARG A 66 4.378 5.636 -20.003 1.00 0.00 C ATOM 992 CD ARG A 66 2.941 5.145 -20.081 1.00 0.00 C ATOM 993 NE ARG A 66 2.815 3.783 -19.563 1.00 0.00 N ATOM 994 CZ ARG A 66 1.809 3.356 -18.798 1.00 0.00 C ATOM 995 NH1 ARG A 66 0.796 4.165 -18.503 1.00 0.00 N ATOM 996 NH2 ARG A 66 1.813 2.110 -18.340 1.00 0.00 N ATOM 0 H ARG A 66 6.068 7.590 -19.634 1.00 0.00 H new ATOM 0 HA ARG A 66 6.591 6.053 -17.344 1.00 0.00 H new ATOM 0 HB2 ARG A 66 4.568 4.787 -18.050 1.00 0.00 H new ATOM 0 HB3 ARG A 66 4.331 6.524 -18.059 1.00 0.00 H new ATOM 0 HG2 ARG A 66 4.455 6.621 -20.464 1.00 0.00 H new ATOM 0 HG3 ARG A 66 5.026 4.967 -20.569 1.00 0.00 H new ATOM 0 HD2 ARG A 66 2.295 5.814 -19.512 1.00 0.00 H new ATOM 0 HD3 ARG A 66 2.600 5.176 -21.116 1.00 0.00 H new ATOM 0 HE ARG A 66 3.546 3.114 -19.803 1.00 0.00 H new ATOM 0 HH11 ARG A 66 0.784 5.120 -18.862 1.00 0.00 H new ATOM 0 HH12 ARG A 66 0.030 3.831 -17.917 1.00 0.00 H new ATOM 0 HH21 ARG A 66 2.583 1.483 -18.573 1.00 0.00 H new ATOM 0 HH22 ARG A 66 1.046 1.779 -17.755 1.00 0.00 H new ATOM 1010 N GLU A 67 7.789 4.794 -20.027 1.00 0.00 N ATOM 1011 CA GLU A 67 8.522 3.673 -20.604 1.00 0.00 C ATOM 1012 C GLU A 67 9.725 3.271 -19.747 1.00 0.00 C ATOM 1013 O GLU A 67 10.165 2.121 -19.799 1.00 0.00 O ATOM 1014 CB GLU A 67 8.965 3.996 -22.033 1.00 0.00 C ATOM 1015 CG GLU A 67 9.803 5.256 -22.163 1.00 0.00 C ATOM 1016 CD GLU A 67 10.109 5.583 -23.610 1.00 0.00 C ATOM 1017 OE1 GLU A 67 9.250 6.198 -24.273 1.00 0.00 O ATOM 1018 OE2 GLU A 67 11.202 5.216 -24.095 1.00 0.00 O ATOM 0 H GLU A 67 7.842 5.656 -20.569 1.00 0.00 H new ATOM 0 HA GLU A 67 7.842 2.822 -20.630 1.00 0.00 H new ATOM 0 HB2 GLU A 67 9.536 3.153 -22.422 1.00 0.00 H new ATOM 0 HB3 GLU A 67 8.079 4.098 -22.660 1.00 0.00 H new ATOM 0 HG2 GLU A 67 9.275 6.092 -21.706 1.00 0.00 H new ATOM 0 HG3 GLU A 67 10.736 5.130 -21.614 1.00 0.00 H new ATOM 1025 N GLN A 68 10.251 4.203 -18.949 1.00 0.00 N ATOM 1026 CA GLN A 68 11.377 3.884 -18.073 1.00 0.00 C ATOM 1027 C GLN A 68 10.962 2.847 -17.036 1.00 0.00 C ATOM 1028 O GLN A 68 11.766 2.015 -16.625 1.00 0.00 O ATOM 1029 CB GLN A 68 11.974 5.146 -17.408 1.00 0.00 C ATOM 1030 CG GLN A 68 10.973 6.084 -16.749 1.00 0.00 C ATOM 1031 CD GLN A 68 10.522 5.653 -15.367 1.00 0.00 C ATOM 1032 OE1 GLN A 68 9.402 5.936 -14.958 1.00 0.00 O ATOM 1033 NE2 GLN A 68 11.393 4.985 -14.632 1.00 0.00 N ATOM 0 H GLN A 68 9.922 5.167 -18.892 1.00 0.00 H new ATOM 0 HA GLN A 68 12.168 3.457 -18.689 1.00 0.00 H new ATOM 0 HB2 GLN A 68 12.697 4.830 -16.656 1.00 0.00 H new ATOM 0 HB3 GLN A 68 12.525 5.706 -18.164 1.00 0.00 H new ATOM 0 HG2 GLN A 68 11.417 7.077 -16.679 1.00 0.00 H new ATOM 0 HG3 GLN A 68 10.097 6.171 -17.392 1.00 0.00 H new ATOM 0 HE21 GLN A 68 12.316 4.768 -15.007 1.00 0.00 H new ATOM 0 HE22 GLN A 68 11.142 4.686 -13.689 1.00 0.00 H new ATOM 1042 N LEU A 69 9.692 2.883 -16.649 1.00 0.00 N ATOM 1043 CA LEU A 69 9.152 1.940 -15.678 1.00 0.00 C ATOM 1044 C LEU A 69 9.245 0.514 -16.201 1.00 0.00 C ATOM 1045 O LEU A 69 9.635 -0.399 -15.476 1.00 0.00 O ATOM 1046 CB LEU A 69 7.688 2.270 -15.377 1.00 0.00 C ATOM 1047 CG LEU A 69 7.437 3.649 -14.771 1.00 0.00 C ATOM 1048 CD1 LEU A 69 5.978 4.040 -14.939 1.00 0.00 C ATOM 1049 CD2 LEU A 69 7.823 3.660 -13.300 1.00 0.00 C ATOM 0 H LEU A 69 9.013 3.561 -16.996 1.00 0.00 H new ATOM 0 HA LEU A 69 9.741 2.024 -14.765 1.00 0.00 H new ATOM 0 HB2 LEU A 69 7.118 2.190 -16.302 1.00 0.00 H new ATOM 0 HB3 LEU A 69 7.296 1.516 -14.695 1.00 0.00 H new ATOM 0 HG LEU A 69 8.055 4.378 -15.296 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.813 5.025 -14.503 1.00 0.00 H new ATOM 0 HD12 LEU A 69 5.728 4.066 -16.000 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.345 3.309 -14.435 1.00 0.00 H new ATOM 0 HD21 LEU A 69 7.638 4.650 -12.883 1.00 0.00 H new ATOM 0 HD22 LEU A 69 7.227 2.922 -12.762 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.880 3.416 -13.199 1.00 0.00 H new ATOM 1061 N GLN A 70 8.904 0.336 -17.473 1.00 0.00 N ATOM 1062 CA GLN A 70 8.872 -0.989 -18.078 1.00 0.00 C ATOM 1063 C GLN A 70 10.264 -1.597 -18.153 1.00 0.00 C ATOM 1064 O GLN A 70 10.427 -2.811 -18.053 1.00 0.00 O ATOM 1065 CB GLN A 70 8.246 -0.937 -19.469 1.00 0.00 C ATOM 1066 CG GLN A 70 6.783 -0.531 -19.460 1.00 0.00 C ATOM 1067 CD GLN A 70 6.110 -0.778 -20.792 1.00 0.00 C ATOM 1068 OE1 GLN A 70 6.093 0.090 -21.666 1.00 0.00 O ATOM 1069 NE2 GLN A 70 5.553 -1.968 -20.955 1.00 0.00 N ATOM 0 H GLN A 70 8.646 1.094 -18.105 1.00 0.00 H new ATOM 0 HA GLN A 70 8.256 -1.624 -17.441 1.00 0.00 H new ATOM 0 HB2 GLN A 70 8.806 -0.233 -20.085 1.00 0.00 H new ATOM 0 HB3 GLN A 70 8.340 -1.916 -19.938 1.00 0.00 H new ATOM 0 HG2 GLN A 70 6.259 -1.086 -18.682 1.00 0.00 H new ATOM 0 HG3 GLN A 70 6.703 0.526 -19.206 1.00 0.00 H new ATOM 0 HE21 GLN A 70 5.591 -2.656 -20.203 1.00 0.00 H new ATOM 0 HE22 GLN A 70 5.085 -2.196 -21.832 1.00 0.00 H new ATOM 1078 N ILE A 71 11.261 -0.755 -18.344 1.00 0.00 N ATOM 1079 CA ILE A 71 12.638 -1.215 -18.370 1.00 0.00 C ATOM 1080 C ILE A 71 13.131 -1.524 -16.957 1.00 0.00 C ATOM 1081 O ILE A 71 13.740 -2.565 -16.714 1.00 0.00 O ATOM 1082 CB ILE A 71 13.564 -0.179 -19.040 1.00 0.00 C ATOM 1083 CG1 ILE A 71 13.096 0.084 -20.476 1.00 0.00 C ATOM 1084 CG2 ILE A 71 15.009 -0.661 -19.026 1.00 0.00 C ATOM 1085 CD1 ILE A 71 13.927 1.110 -21.216 1.00 0.00 C ATOM 0 H ILE A 71 11.145 0.249 -18.483 1.00 0.00 H new ATOM 0 HA ILE A 71 12.668 -2.130 -18.962 1.00 0.00 H new ATOM 0 HB ILE A 71 13.515 0.753 -18.477 1.00 0.00 H new ATOM 0 HG12 ILE A 71 13.116 -0.854 -21.031 1.00 0.00 H new ATOM 0 HG13 ILE A 71 12.059 0.419 -20.454 1.00 0.00 H new ATOM 0 HG21 ILE A 71 15.646 0.084 -19.503 1.00 0.00 H new ATOM 0 HG22 ILE A 71 15.333 -0.809 -17.996 1.00 0.00 H new ATOM 0 HG23 ILE A 71 15.084 -1.603 -19.569 1.00 0.00 H new ATOM 0 HD11 ILE A 71 13.532 1.240 -22.224 1.00 0.00 H new ATOM 0 HD12 ILE A 71 13.887 2.061 -20.686 1.00 0.00 H new ATOM 0 HD13 ILE A 71 14.961 0.769 -21.272 1.00 0.00 H new ATOM 1097 N LEU A 72 12.837 -0.625 -16.024 1.00 0.00 N ATOM 1098 CA LEU A 72 13.318 -0.764 -14.653 1.00 0.00 C ATOM 1099 C LEU A 72 12.661 -1.936 -13.927 1.00 0.00 C ATOM 1100 O LEU A 72 13.275 -2.540 -13.051 1.00 0.00 O ATOM 1101 CB LEU A 72 13.083 0.528 -13.868 1.00 0.00 C ATOM 1102 CG LEU A 72 13.734 1.776 -14.465 1.00 0.00 C ATOM 1103 CD1 LEU A 72 13.539 2.969 -13.549 1.00 0.00 C ATOM 1104 CD2 LEU A 72 15.214 1.542 -14.728 1.00 0.00 C ATOM 0 H LEU A 72 12.269 0.206 -16.191 1.00 0.00 H new ATOM 0 HA LEU A 72 14.388 -0.966 -14.711 1.00 0.00 H new ATOM 0 HB2 LEU A 72 12.009 0.698 -13.792 1.00 0.00 H new ATOM 0 HB3 LEU A 72 13.457 0.392 -12.853 1.00 0.00 H new ATOM 0 HG LEU A 72 13.249 1.989 -15.418 1.00 0.00 H new ATOM 0 HD11 LEU A 72 14.009 3.848 -13.991 1.00 0.00 H new ATOM 0 HD12 LEU A 72 12.473 3.156 -13.417 1.00 0.00 H new ATOM 0 HD13 LEU A 72 13.994 2.762 -12.580 1.00 0.00 H new ATOM 0 HD21 LEU A 72 15.655 2.444 -15.153 1.00 0.00 H new ATOM 0 HD22 LEU A 72 15.716 1.299 -13.792 1.00 0.00 H new ATOM 0 HD23 LEU A 72 15.333 0.716 -15.429 1.00 0.00 H new ATOM 1116 N LEU A 73 11.420 -2.262 -14.289 1.00 0.00 N ATOM 1117 CA LEU A 73 10.702 -3.356 -13.633 1.00 0.00 C ATOM 1118 C LEU A 73 11.407 -4.693 -13.864 1.00 0.00 C ATOM 1119 O LEU A 73 11.254 -5.630 -13.078 1.00 0.00 O ATOM 1120 CB LEU A 73 9.221 -3.406 -14.067 1.00 0.00 C ATOM 1121 CG LEU A 73 8.923 -3.666 -15.553 1.00 0.00 C ATOM 1122 CD1 LEU A 73 9.063 -5.140 -15.903 1.00 0.00 C ATOM 1123 CD2 LEU A 73 7.522 -3.182 -15.900 1.00 0.00 C ATOM 0 H LEU A 73 10.895 -1.790 -15.025 1.00 0.00 H new ATOM 0 HA LEU A 73 10.711 -3.162 -12.560 1.00 0.00 H new ATOM 0 HB2 LEU A 73 8.726 -4.183 -13.484 1.00 0.00 H new ATOM 0 HB3 LEU A 73 8.758 -2.458 -13.792 1.00 0.00 H new ATOM 0 HG LEU A 73 9.655 -3.110 -16.139 1.00 0.00 H new ATOM 0 HD11 LEU A 73 8.845 -5.285 -16.961 1.00 0.00 H new ATOM 0 HD12 LEU A 73 10.081 -5.468 -15.694 1.00 0.00 H new ATOM 0 HD13 LEU A 73 8.363 -5.724 -15.305 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.322 -3.371 -16.955 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.792 -3.715 -15.291 1.00 0.00 H new ATOM 0 HD23 LEU A 73 7.447 -2.113 -15.703 1.00 0.00 H new ATOM 1135 N GLU A 74 12.175 -4.773 -14.951 1.00 0.00 N ATOM 1136 CA GLU A 74 12.956 -5.967 -15.267 1.00 0.00 C ATOM 1137 C GLU A 74 14.024 -6.219 -14.204 1.00 0.00 C ATOM 1138 O GLU A 74 14.528 -7.336 -14.063 1.00 0.00 O ATOM 1139 CB GLU A 74 13.618 -5.814 -16.637 1.00 0.00 C ATOM 1140 CG GLU A 74 12.642 -5.867 -17.801 1.00 0.00 C ATOM 1141 CD GLU A 74 12.065 -7.251 -18.007 1.00 0.00 C ATOM 1142 OE1 GLU A 74 12.763 -8.106 -18.599 1.00 0.00 O ATOM 1143 OE2 GLU A 74 10.918 -7.496 -17.584 1.00 0.00 O ATOM 0 H GLU A 74 12.272 -4.019 -15.631 1.00 0.00 H new ATOM 0 HA GLU A 74 12.278 -6.820 -15.285 1.00 0.00 H new ATOM 0 HB2 GLU A 74 14.153 -4.865 -16.667 1.00 0.00 H new ATOM 0 HB3 GLU A 74 14.360 -6.603 -16.761 1.00 0.00 H new ATOM 0 HG2 GLU A 74 11.831 -5.161 -17.624 1.00 0.00 H new ATOM 0 HG3 GLU A 74 13.149 -5.548 -18.712 1.00 0.00 H new ATOM 1150 N GLN A 75 14.366 -5.177 -13.462 1.00 0.00 N ATOM 1151 CA GLN A 75 15.357 -5.276 -12.404 1.00 0.00 C ATOM 1152 C GLN A 75 14.674 -5.269 -11.041 1.00 0.00 C ATOM 1153 O GLN A 75 14.125 -4.256 -10.613 1.00 0.00 O ATOM 1154 CB GLN A 75 16.355 -4.123 -12.507 1.00 0.00 C ATOM 1155 CG GLN A 75 17.235 -4.180 -13.748 1.00 0.00 C ATOM 1156 CD GLN A 75 18.193 -5.355 -13.727 1.00 0.00 C ATOM 1157 OE1 GLN A 75 19.312 -5.248 -13.226 1.00 0.00 O ATOM 1158 NE2 GLN A 75 17.769 -6.480 -14.279 1.00 0.00 N ATOM 0 H GLN A 75 13.967 -4.245 -13.576 1.00 0.00 H new ATOM 0 HA GLN A 75 15.899 -6.215 -12.516 1.00 0.00 H new ATOM 0 HB2 GLN A 75 15.808 -3.180 -12.504 1.00 0.00 H new ATOM 0 HB3 GLN A 75 16.991 -4.125 -11.622 1.00 0.00 H new ATOM 0 HG2 GLN A 75 16.604 -4.246 -14.634 1.00 0.00 H new ATOM 0 HG3 GLN A 75 17.803 -3.253 -13.829 1.00 0.00 H new ATOM 0 HE21 GLN A 75 16.834 -6.529 -14.684 1.00 0.00 H new ATOM 0 HE22 GLN A 75 18.377 -7.299 -14.300 1.00 0.00 H new ATOM 1167 N ASN A 76 14.714 -6.406 -10.363 1.00 0.00 N ATOM 1168 CA ASN A 76 14.025 -6.565 -9.084 1.00 0.00 C ATOM 1169 C ASN A 76 14.909 -6.112 -7.930 1.00 0.00 C ATOM 1170 O ASN A 76 14.530 -6.215 -6.764 1.00 0.00 O ATOM 1171 CB ASN A 76 13.614 -8.026 -8.875 1.00 0.00 C ATOM 1172 CG ASN A 76 12.760 -8.562 -10.007 1.00 0.00 C ATOM 1173 OD1 ASN A 76 13.275 -9.121 -10.979 1.00 0.00 O ATOM 1174 ND2 ASN A 76 11.451 -8.400 -9.895 1.00 0.00 N ATOM 0 H ASN A 76 15.217 -7.237 -10.675 1.00 0.00 H new ATOM 0 HA ASN A 76 13.132 -5.941 -9.106 1.00 0.00 H new ATOM 0 HB2 ASN A 76 14.509 -8.641 -8.778 1.00 0.00 H new ATOM 0 HB3 ASN A 76 13.064 -8.114 -7.938 1.00 0.00 H new ATOM 0 HD21 ASN A 76 10.830 -8.743 -10.628 1.00 0.00 H new ATOM 0 HD22 ASN A 76 11.063 -7.932 -9.076 1.00 0.00 H new ATOM 1181 N ILE A 77 16.092 -5.619 -8.259 1.00 0.00 N ATOM 1182 CA ILE A 77 17.040 -5.163 -7.251 1.00 0.00 C ATOM 1183 C ILE A 77 17.003 -3.646 -7.091 1.00 0.00 C ATOM 1184 O ILE A 77 17.910 -2.944 -7.523 1.00 0.00 O ATOM 1185 CB ILE A 77 18.484 -5.631 -7.563 1.00 0.00 C ATOM 1186 CG1 ILE A 77 18.722 -5.784 -9.077 1.00 0.00 C ATOM 1187 CG2 ILE A 77 18.772 -6.941 -6.849 1.00 0.00 C ATOM 1188 CD1 ILE A 77 18.770 -4.478 -9.847 1.00 0.00 C ATOM 0 H ILE A 77 16.421 -5.523 -9.220 1.00 0.00 H new ATOM 0 HA ILE A 77 16.733 -5.616 -6.309 1.00 0.00 H new ATOM 0 HB ILE A 77 19.168 -4.864 -7.200 1.00 0.00 H new ATOM 0 HG12 ILE A 77 19.661 -6.316 -9.231 1.00 0.00 H new ATOM 0 HG13 ILE A 77 17.931 -6.407 -9.494 1.00 0.00 H new ATOM 0 HG21 ILE A 77 19.789 -7.262 -7.074 1.00 0.00 H new ATOM 0 HG22 ILE A 77 18.666 -6.800 -5.773 1.00 0.00 H new ATOM 0 HG23 ILE A 77 18.068 -7.702 -7.187 1.00 0.00 H new ATOM 0 HD11 ILE A 77 18.941 -4.685 -10.903 1.00 0.00 H new ATOM 0 HD12 ILE A 77 17.823 -3.951 -9.729 1.00 0.00 H new ATOM 0 HD13 ILE A 77 19.580 -3.858 -9.462 1.00 0.00 H new ATOM 1200 N ASN A 78 15.958 -3.151 -6.439 1.00 0.00 N ATOM 1201 CA ASN A 78 15.723 -1.711 -6.315 1.00 0.00 C ATOM 1202 C ASN A 78 16.916 -0.995 -5.689 1.00 0.00 C ATOM 1203 O ASN A 78 17.232 0.133 -6.062 1.00 0.00 O ATOM 1204 CB ASN A 78 14.465 -1.438 -5.485 1.00 0.00 C ATOM 1205 CG ASN A 78 13.214 -2.027 -6.109 1.00 0.00 C ATOM 1206 OD1 ASN A 78 12.833 -3.159 -5.812 1.00 0.00 O ATOM 1207 ND2 ASN A 78 12.569 -1.267 -6.981 1.00 0.00 N ATOM 0 H ASN A 78 15.252 -3.729 -5.983 1.00 0.00 H new ATOM 0 HA ASN A 78 15.582 -1.321 -7.323 1.00 0.00 H new ATOM 0 HB2 ASN A 78 14.597 -1.852 -4.485 1.00 0.00 H new ATOM 0 HB3 ASN A 78 14.337 -0.362 -5.370 1.00 0.00 H new ATOM 0 HD21 ASN A 78 11.724 -1.615 -7.433 1.00 0.00 H new ATOM 0 HD22 ASN A 78 12.918 -0.334 -7.200 1.00 0.00 H new ATOM 1214 N GLU A 79 17.584 -1.662 -4.755 1.00 0.00 N ATOM 1215 CA GLU A 79 18.739 -1.081 -4.077 1.00 0.00 C ATOM 1216 C GLU A 79 19.898 -0.848 -5.049 1.00 0.00 C ATOM 1217 O GLU A 79 20.515 0.218 -5.047 1.00 0.00 O ATOM 1218 CB GLU A 79 19.192 -1.987 -2.932 1.00 0.00 C ATOM 1219 CG GLU A 79 20.407 -1.456 -2.190 1.00 0.00 C ATOM 1220 CD GLU A 79 20.881 -2.388 -1.100 1.00 0.00 C ATOM 1221 OE1 GLU A 79 21.497 -3.426 -1.426 1.00 0.00 O ATOM 1222 OE2 GLU A 79 20.639 -2.093 0.086 1.00 0.00 O ATOM 0 H GLU A 79 17.346 -2.606 -4.449 1.00 0.00 H new ATOM 0 HA GLU A 79 18.437 -0.115 -3.673 1.00 0.00 H new ATOM 0 HB2 GLU A 79 18.369 -2.109 -2.227 1.00 0.00 H new ATOM 0 HB3 GLU A 79 19.421 -2.976 -3.329 1.00 0.00 H new ATOM 0 HG2 GLU A 79 21.218 -1.293 -2.900 1.00 0.00 H new ATOM 0 HG3 GLU A 79 20.165 -0.487 -1.753 1.00 0.00 H new ATOM 1229 N ARG A 80 20.186 -1.842 -5.883 1.00 0.00 N ATOM 1230 CA ARG A 80 21.301 -1.747 -6.823 1.00 0.00 C ATOM 1231 C ARG A 80 20.878 -0.972 -8.058 1.00 0.00 C ATOM 1232 O ARG A 80 21.703 -0.424 -8.784 1.00 0.00 O ATOM 1233 CB ARG A 80 21.784 -3.139 -7.224 1.00 0.00 C ATOM 1234 CG ARG A 80 23.294 -3.218 -7.394 1.00 0.00 C ATOM 1235 CD ARG A 80 23.771 -4.633 -7.688 1.00 0.00 C ATOM 1236 NE ARG A 80 23.484 -5.053 -9.060 1.00 0.00 N ATOM 1237 CZ ARG A 80 24.320 -5.785 -9.799 1.00 0.00 C ATOM 1238 NH1 ARG A 80 25.494 -6.161 -9.306 1.00 0.00 N ATOM 1239 NH2 ARG A 80 23.979 -6.139 -11.031 1.00 0.00 N ATOM 0 H ARG A 80 19.667 -2.719 -5.929 1.00 0.00 H new ATOM 0 HA ARG A 80 22.120 -1.220 -6.334 1.00 0.00 H new ATOM 0 HB2 ARG A 80 21.471 -3.858 -6.467 1.00 0.00 H new ATOM 0 HB3 ARG A 80 21.303 -3.429 -8.158 1.00 0.00 H new ATOM 0 HG2 ARG A 80 23.601 -2.558 -8.206 1.00 0.00 H new ATOM 0 HG3 ARG A 80 23.779 -2.855 -6.488 1.00 0.00 H new ATOM 0 HD2 ARG A 80 24.845 -4.694 -7.511 1.00 0.00 H new ATOM 0 HD3 ARG A 80 23.294 -5.324 -6.994 1.00 0.00 H new ATOM 0 HE ARG A 80 22.596 -4.771 -9.474 1.00 0.00 H new ATOM 0 HH11 ARG A 80 25.760 -5.890 -8.359 1.00 0.00 H new ATOM 0 HH12 ARG A 80 26.130 -6.720 -9.874 1.00 0.00 H new ATOM 0 HH21 ARG A 80 23.078 -5.852 -11.413 1.00 0.00 H new ATOM 0 HH22 ARG A 80 24.618 -6.698 -11.596 1.00 0.00 H new ATOM 1253 N LEU A 81 19.578 -0.958 -8.288 1.00 0.00 N ATOM 1254 CA LEU A 81 18.991 -0.199 -9.380 1.00 0.00 C ATOM 1255 C LEU A 81 18.987 1.293 -9.041 1.00 0.00 C ATOM 1256 O LEU A 81 18.984 2.137 -9.933 1.00 0.00 O ATOM 1257 CB LEU A 81 17.566 -0.698 -9.642 1.00 0.00 C ATOM 1258 CG LEU A 81 16.927 -0.226 -10.947 1.00 0.00 C ATOM 1259 CD1 LEU A 81 17.734 -0.706 -12.141 1.00 0.00 C ATOM 1260 CD2 LEU A 81 15.492 -0.722 -11.038 1.00 0.00 C ATOM 0 H LEU A 81 18.899 -1.471 -7.725 1.00 0.00 H new ATOM 0 HA LEU A 81 19.586 -0.342 -10.282 1.00 0.00 H new ATOM 0 HB2 LEU A 81 17.576 -1.788 -9.638 1.00 0.00 H new ATOM 0 HB3 LEU A 81 16.932 -0.382 -8.814 1.00 0.00 H new ATOM 0 HG LEU A 81 16.920 0.864 -10.957 1.00 0.00 H new ATOM 0 HD11 LEU A 81 17.263 -0.360 -13.061 1.00 0.00 H new ATOM 0 HD12 LEU A 81 18.747 -0.308 -12.080 1.00 0.00 H new ATOM 0 HD13 LEU A 81 17.772 -1.795 -12.140 1.00 0.00 H new ATOM 0 HD21 LEU A 81 15.047 -0.379 -11.972 1.00 0.00 H new ATOM 0 HD22 LEU A 81 15.481 -1.812 -11.009 1.00 0.00 H new ATOM 0 HD23 LEU A 81 14.918 -0.331 -10.198 1.00 0.00 H new ATOM 1272 N ASN A 82 18.996 1.594 -7.736 1.00 0.00 N ATOM 1273 CA ASN A 82 19.042 2.973 -7.225 1.00 0.00 C ATOM 1274 C ASN A 82 17.732 3.710 -7.483 1.00 0.00 C ATOM 1275 O ASN A 82 17.693 4.941 -7.495 1.00 0.00 O ATOM 1276 CB ASN A 82 20.211 3.762 -7.833 1.00 0.00 C ATOM 1277 CG ASN A 82 21.569 3.251 -7.389 1.00 0.00 C ATOM 1278 OD1 ASN A 82 22.100 3.673 -6.362 1.00 0.00 O ATOM 1279 ND2 ASN A 82 22.144 2.343 -8.160 1.00 0.00 N ATOM 0 H ASN A 82 18.972 0.887 -7.001 1.00 0.00 H new ATOM 0 HA ASN A 82 19.194 2.902 -6.148 1.00 0.00 H new ATOM 0 HB2 ASN A 82 20.149 3.712 -8.920 1.00 0.00 H new ATOM 0 HB3 ASN A 82 20.116 4.812 -7.556 1.00 0.00 H new ATOM 0 HD21 ASN A 82 23.059 1.968 -7.911 1.00 0.00 H new ATOM 0 HD22 ASN A 82 21.672 2.018 -9.004 1.00 0.00 H new ATOM 1286 N ILE A 83 16.656 2.953 -7.645 1.00 0.00 N ATOM 1287 CA ILE A 83 15.348 3.531 -7.924 1.00 0.00 C ATOM 1288 C ILE A 83 14.626 3.909 -6.630 1.00 0.00 C ATOM 1289 O ILE A 83 14.679 3.180 -5.639 1.00 0.00 O ATOM 1290 CB ILE A 83 14.488 2.569 -8.791 1.00 0.00 C ATOM 1291 CG1 ILE A 83 14.607 2.947 -10.269 1.00 0.00 C ATOM 1292 CG2 ILE A 83 13.024 2.565 -8.370 1.00 0.00 C ATOM 1293 CD1 ILE A 83 16.025 2.958 -10.796 1.00 0.00 C ATOM 0 H ILE A 83 16.663 1.935 -7.588 1.00 0.00 H new ATOM 0 HA ILE A 83 15.500 4.446 -8.496 1.00 0.00 H new ATOM 0 HB ILE A 83 14.873 1.561 -8.637 1.00 0.00 H new ATOM 0 HG12 ILE A 83 14.018 2.246 -10.860 1.00 0.00 H new ATOM 0 HG13 ILE A 83 14.169 3.934 -10.416 1.00 0.00 H new ATOM 0 HG21 ILE A 83 12.465 1.878 -9.005 1.00 0.00 H new ATOM 0 HG22 ILE A 83 12.945 2.245 -7.331 1.00 0.00 H new ATOM 0 HG23 ILE A 83 12.613 3.569 -8.472 1.00 0.00 H new ATOM 0 HD11 ILE A 83 16.019 3.236 -11.850 1.00 0.00 H new ATOM 0 HD12 ILE A 83 16.617 3.680 -10.234 1.00 0.00 H new ATOM 0 HD13 ILE A 83 16.462 1.966 -10.685 1.00 0.00 H new ATOM 1305 N GLY A 84 13.968 5.067 -6.654 1.00 0.00 N ATOM 1306 CA GLY A 84 13.288 5.580 -5.480 1.00 0.00 C ATOM 1307 C GLY A 84 12.031 4.808 -5.137 1.00 0.00 C ATOM 1308 O GLY A 84 11.429 4.172 -5.998 1.00 0.00 O ATOM 0 H GLY A 84 13.895 5.664 -7.478 1.00 0.00 H new ATOM 0 HA2 GLY A 84 13.970 5.549 -4.630 1.00 0.00 H new ATOM 0 HA3 GLY A 84 13.031 6.626 -5.644 1.00 0.00 H new ATOM 1312 N GLU A 85 11.619 4.893 -3.881 1.00 0.00 N ATOM 1313 CA GLU A 85 10.440 4.186 -3.397 1.00 0.00 C ATOM 1314 C GLU A 85 9.142 4.696 -4.043 1.00 0.00 C ATOM 1315 O GLU A 85 8.324 3.887 -4.483 1.00 0.00 O ATOM 1316 CB GLU A 85 10.352 4.278 -1.875 1.00 0.00 C ATOM 1317 CG GLU A 85 11.451 3.513 -1.158 1.00 0.00 C ATOM 1318 CD GLU A 85 11.297 3.553 0.346 1.00 0.00 C ATOM 1319 OE1 GLU A 85 10.350 2.928 0.867 1.00 0.00 O ATOM 1320 OE2 GLU A 85 12.123 4.204 1.016 1.00 0.00 O ATOM 0 H GLU A 85 12.090 5.452 -3.170 1.00 0.00 H new ATOM 0 HA GLU A 85 10.551 3.141 -3.688 1.00 0.00 H new ATOM 0 HB2 GLU A 85 10.397 5.326 -1.579 1.00 0.00 H new ATOM 0 HB3 GLU A 85 9.384 3.897 -1.551 1.00 0.00 H new ATOM 0 HG2 GLU A 85 11.446 2.476 -1.493 1.00 0.00 H new ATOM 0 HG3 GLU A 85 12.419 3.932 -1.432 1.00 0.00 H new ATOM 1327 N PRO A 86 8.915 6.034 -4.118 1.00 0.00 N ATOM 1328 CA PRO A 86 7.730 6.588 -4.795 1.00 0.00 C ATOM 1329 C PRO A 86 7.658 6.169 -6.263 1.00 0.00 C ATOM 1330 O PRO A 86 6.588 6.175 -6.874 1.00 0.00 O ATOM 1331 CB PRO A 86 7.918 8.105 -4.682 1.00 0.00 C ATOM 1332 CG PRO A 86 8.831 8.290 -3.523 1.00 0.00 C ATOM 1333 CD PRO A 86 9.750 7.104 -3.533 1.00 0.00 C ATOM 0 HA PRO A 86 6.804 6.231 -4.345 1.00 0.00 H new ATOM 0 HB2 PRO A 86 8.348 8.519 -5.594 1.00 0.00 H new ATOM 0 HB3 PRO A 86 6.966 8.611 -4.520 1.00 0.00 H new ATOM 0 HG2 PRO A 86 9.392 9.220 -3.612 1.00 0.00 H new ATOM 0 HG3 PRO A 86 8.271 8.343 -2.589 1.00 0.00 H new ATOM 0 HD2 PRO A 86 10.642 7.291 -4.131 1.00 0.00 H new ATOM 0 HD3 PRO A 86 10.087 6.848 -2.529 1.00 0.00 H new ATOM 1341 N LEU A 87 8.804 5.787 -6.812 1.00 0.00 N ATOM 1342 CA LEU A 87 8.888 5.331 -8.192 1.00 0.00 C ATOM 1343 C LEU A 87 8.167 3.994 -8.352 1.00 0.00 C ATOM 1344 O LEU A 87 7.536 3.736 -9.376 1.00 0.00 O ATOM 1345 CB LEU A 87 10.356 5.211 -8.626 1.00 0.00 C ATOM 1346 CG LEU A 87 11.057 6.523 -9.013 1.00 0.00 C ATOM 1347 CD1 LEU A 87 10.420 7.122 -10.257 1.00 0.00 C ATOM 1348 CD2 LEU A 87 11.029 7.528 -7.870 1.00 0.00 C ATOM 0 H LEU A 87 9.696 5.785 -6.316 1.00 0.00 H new ATOM 0 HA LEU A 87 8.400 6.064 -8.834 1.00 0.00 H new ATOM 0 HB2 LEU A 87 10.917 4.749 -7.814 1.00 0.00 H new ATOM 0 HB3 LEU A 87 10.408 4.531 -9.476 1.00 0.00 H new ATOM 0 HG LEU A 87 12.100 6.289 -9.228 1.00 0.00 H new ATOM 0 HD11 LEU A 87 10.929 8.050 -10.516 1.00 0.00 H new ATOM 0 HD12 LEU A 87 10.506 6.418 -11.085 1.00 0.00 H new ATOM 0 HD13 LEU A 87 9.367 7.328 -10.064 1.00 0.00 H new ATOM 0 HD21 LEU A 87 11.533 8.444 -8.178 1.00 0.00 H new ATOM 0 HD22 LEU A 87 9.995 7.753 -7.609 1.00 0.00 H new ATOM 0 HD23 LEU A 87 11.539 7.107 -7.003 1.00 0.00 H new ATOM 1360 N LEU A 88 8.246 3.155 -7.320 1.00 0.00 N ATOM 1361 CA LEU A 88 7.516 1.891 -7.310 1.00 0.00 C ATOM 1362 C LEU A 88 6.021 2.157 -7.219 1.00 0.00 C ATOM 1363 O LEU A 88 5.214 1.423 -7.783 1.00 0.00 O ATOM 1364 CB LEU A 88 7.941 0.995 -6.137 1.00 0.00 C ATOM 1365 CG LEU A 88 9.287 0.277 -6.283 1.00 0.00 C ATOM 1366 CD1 LEU A 88 10.444 1.254 -6.182 1.00 0.00 C ATOM 1367 CD2 LEU A 88 9.417 -0.812 -5.229 1.00 0.00 C ATOM 0 H LEU A 88 8.805 3.328 -6.485 1.00 0.00 H new ATOM 0 HA LEU A 88 7.750 1.371 -8.239 1.00 0.00 H new ATOM 0 HB2 LEU A 88 7.975 1.606 -5.235 1.00 0.00 H new ATOM 0 HB3 LEU A 88 7.167 0.243 -5.983 1.00 0.00 H new ATOM 0 HG LEU A 88 9.322 -0.181 -7.271 1.00 0.00 H new ATOM 0 HD11 LEU A 88 11.386 0.715 -6.289 1.00 0.00 H new ATOM 0 HD12 LEU A 88 10.361 2.000 -6.973 1.00 0.00 H new ATOM 0 HD13 LEU A 88 10.418 1.750 -5.212 1.00 0.00 H new ATOM 0 HD21 LEU A 88 10.377 -1.315 -5.342 1.00 0.00 H new ATOM 0 HD22 LEU A 88 9.356 -0.366 -4.236 1.00 0.00 H new ATOM 0 HD23 LEU A 88 8.611 -1.536 -5.352 1.00 0.00 H new ATOM 1379 N VAL A 89 5.663 3.221 -6.508 1.00 0.00 N ATOM 1380 CA VAL A 89 4.266 3.598 -6.332 1.00 0.00 C ATOM 1381 C VAL A 89 3.643 3.992 -7.668 1.00 0.00 C ATOM 1382 O VAL A 89 2.513 3.608 -7.974 1.00 0.00 O ATOM 1383 CB VAL A 89 4.118 4.765 -5.330 1.00 0.00 C ATOM 1384 CG1 VAL A 89 2.654 5.133 -5.136 1.00 0.00 C ATOM 1385 CG2 VAL A 89 4.761 4.411 -3.997 1.00 0.00 C ATOM 0 H VAL A 89 6.326 3.841 -6.042 1.00 0.00 H new ATOM 0 HA VAL A 89 3.743 2.729 -5.932 1.00 0.00 H new ATOM 0 HB VAL A 89 4.634 5.632 -5.743 1.00 0.00 H new ATOM 0 HG11 VAL A 89 2.577 5.957 -4.426 1.00 0.00 H new ATOM 0 HG12 VAL A 89 2.225 5.436 -6.091 1.00 0.00 H new ATOM 0 HG13 VAL A 89 2.110 4.270 -4.751 1.00 0.00 H new ATOM 0 HG21 VAL A 89 4.646 5.245 -3.305 1.00 0.00 H new ATOM 0 HG22 VAL A 89 4.277 3.527 -3.583 1.00 0.00 H new ATOM 0 HG23 VAL A 89 5.821 4.207 -4.147 1.00 0.00 H new ATOM 1395 N TYR A 90 4.400 4.734 -8.468 1.00 0.00 N ATOM 1396 CA TYR A 90 3.930 5.181 -9.775 1.00 0.00 C ATOM 1397 C TYR A 90 3.719 3.988 -10.705 1.00 0.00 C ATOM 1398 O TYR A 90 2.833 3.993 -11.560 1.00 0.00 O ATOM 1399 CB TYR A 90 4.935 6.151 -10.394 1.00 0.00 C ATOM 1400 CG TYR A 90 4.379 6.919 -11.572 1.00 0.00 C ATOM 1401 CD1 TYR A 90 3.328 7.811 -11.406 1.00 0.00 C ATOM 1402 CD2 TYR A 90 4.897 6.747 -12.847 1.00 0.00 C ATOM 1403 CE1 TYR A 90 2.811 8.512 -12.478 1.00 0.00 C ATOM 1404 CE2 TYR A 90 4.386 7.443 -13.926 1.00 0.00 C ATOM 1405 CZ TYR A 90 3.343 8.325 -13.736 1.00 0.00 C ATOM 1406 OH TYR A 90 2.830 9.020 -14.807 1.00 0.00 O ATOM 0 H TYR A 90 5.345 5.040 -8.234 1.00 0.00 H new ATOM 0 HA TYR A 90 2.977 5.693 -9.641 1.00 0.00 H new ATOM 0 HB2 TYR A 90 5.264 6.857 -9.632 1.00 0.00 H new ATOM 0 HB3 TYR A 90 5.816 5.595 -10.715 1.00 0.00 H new ATOM 0 HD1 TYR A 90 2.908 7.959 -10.422 1.00 0.00 H new ATOM 0 HD2 TYR A 90 5.714 6.057 -12.999 1.00 0.00 H new ATOM 0 HE1 TYR A 90 1.994 9.203 -12.331 1.00 0.00 H new ATOM 0 HE2 TYR A 90 4.801 7.297 -14.912 1.00 0.00 H new ATOM 0 HH TYR A 90 3.318 8.774 -15.621 1.00 0.00 H new ATOM 1416 N LEU A 91 4.542 2.964 -10.520 1.00 0.00 N ATOM 1417 CA LEU A 91 4.461 1.751 -11.320 1.00 0.00 C ATOM 1418 C LEU A 91 3.197 0.961 -10.980 1.00 0.00 C ATOM 1419 O LEU A 91 2.672 0.219 -11.814 1.00 0.00 O ATOM 1420 CB LEU A 91 5.726 0.907 -11.096 1.00 0.00 C ATOM 1421 CG LEU A 91 5.786 -0.436 -11.833 1.00 0.00 C ATOM 1422 CD1 LEU A 91 7.208 -0.728 -12.282 1.00 0.00 C ATOM 1423 CD2 LEU A 91 5.287 -1.561 -10.936 1.00 0.00 C ATOM 0 H LEU A 91 5.280 2.951 -9.816 1.00 0.00 H new ATOM 0 HA LEU A 91 4.401 2.018 -12.375 1.00 0.00 H new ATOM 0 HB2 LEU A 91 6.590 1.500 -11.395 1.00 0.00 H new ATOM 0 HB3 LEU A 91 5.825 0.716 -10.027 1.00 0.00 H new ATOM 0 HG LEU A 91 5.142 -0.374 -12.710 1.00 0.00 H new ATOM 0 HD11 LEU A 91 7.236 -1.685 -12.804 1.00 0.00 H new ATOM 0 HD12 LEU A 91 7.547 0.061 -12.953 1.00 0.00 H new ATOM 0 HD13 LEU A 91 7.863 -0.770 -11.412 1.00 0.00 H new ATOM 0 HD21 LEU A 91 5.337 -2.506 -11.476 1.00 0.00 H new ATOM 0 HD22 LEU A 91 5.911 -1.619 -10.044 1.00 0.00 H new ATOM 0 HD23 LEU A 91 4.255 -1.364 -10.645 1.00 0.00 H new ATOM 1435 N ARG A 92 2.703 1.141 -9.756 1.00 0.00 N ATOM 1436 CA ARG A 92 1.518 0.426 -9.291 1.00 0.00 C ATOM 1437 C ARG A 92 0.273 0.909 -10.027 1.00 0.00 C ATOM 1438 O ARG A 92 -0.535 0.107 -10.493 1.00 0.00 O ATOM 1439 CB ARG A 92 1.323 0.617 -7.782 1.00 0.00 C ATOM 1440 CG ARG A 92 2.549 0.273 -6.954 1.00 0.00 C ATOM 1441 CD ARG A 92 2.290 0.454 -5.466 1.00 0.00 C ATOM 1442 NE ARG A 92 3.533 0.461 -4.692 1.00 0.00 N ATOM 1443 CZ ARG A 92 3.662 -0.069 -3.474 1.00 0.00 C ATOM 1444 NH1 ARG A 92 2.652 -0.728 -2.914 1.00 0.00 N ATOM 1445 NH2 ARG A 92 4.811 0.047 -2.818 1.00 0.00 N ATOM 0 H ARG A 92 3.107 1.777 -9.068 1.00 0.00 H new ATOM 0 HA ARG A 92 1.668 -0.633 -9.499 1.00 0.00 H new ATOM 0 HB2 ARG A 92 1.046 1.654 -7.590 1.00 0.00 H new ATOM 0 HB3 ARG A 92 0.489 -0.002 -7.452 1.00 0.00 H new ATOM 0 HG2 ARG A 92 2.843 -0.758 -7.150 1.00 0.00 H new ATOM 0 HG3 ARG A 92 3.383 0.905 -7.258 1.00 0.00 H new ATOM 0 HD2 ARG A 92 1.755 1.389 -5.302 1.00 0.00 H new ATOM 0 HD3 ARG A 92 1.645 -0.349 -5.110 1.00 0.00 H new ATOM 0 HE ARG A 92 4.353 0.899 -5.111 1.00 0.00 H new ATOM 0 HH11 ARG A 92 1.770 -0.832 -3.416 1.00 0.00 H new ATOM 0 HH12 ARG A 92 2.759 -1.130 -1.983 1.00 0.00 H new ATOM 0 HH21 ARG A 92 5.594 0.541 -3.245 1.00 0.00 H new ATOM 0 HH22 ARG A 92 4.910 -0.358 -1.887 1.00 0.00 H new ATOM 1459 N ARG A 93 0.127 2.224 -10.127 1.00 0.00 N ATOM 1460 CA ARG A 93 -1.028 2.821 -10.781 1.00 0.00 C ATOM 1461 C ARG A 93 -0.727 4.267 -11.151 1.00 0.00 C ATOM 1462 O ARG A 93 0.149 4.892 -10.559 1.00 0.00 O ATOM 1463 CB ARG A 93 -2.259 2.754 -9.868 1.00 0.00 C ATOM 1464 CG ARG A 93 -2.104 3.538 -8.576 1.00 0.00 C ATOM 1465 CD ARG A 93 -3.312 3.373 -7.668 1.00 0.00 C ATOM 1466 NE ARG A 93 -4.561 3.759 -8.327 1.00 0.00 N ATOM 1467 CZ ARG A 93 -5.126 4.960 -8.214 1.00 0.00 C ATOM 1468 NH1 ARG A 93 -4.534 5.917 -7.511 1.00 0.00 N ATOM 1469 NH2 ARG A 93 -6.288 5.201 -8.807 1.00 0.00 N ATOM 0 H ARG A 93 0.798 2.899 -9.761 1.00 0.00 H new ATOM 0 HA ARG A 93 -1.242 2.259 -11.690 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -3.124 3.133 -10.411 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -2.466 1.711 -9.627 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -1.208 3.204 -8.053 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -1.964 4.594 -8.806 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -3.381 2.334 -7.344 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -3.175 3.978 -6.772 1.00 0.00 H new ATOM 0 HE ARG A 93 -5.028 3.064 -8.910 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -3.641 5.735 -7.053 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -4.972 6.834 -7.428 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -6.746 4.468 -9.348 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -6.723 6.120 -8.722 1.00 0.00 H new ATOM 1483 N GLN A 94 -1.447 4.791 -12.128 1.00 0.00 N ATOM 1484 CA GLN A 94 -1.242 6.162 -12.573 1.00 0.00 C ATOM 1485 C GLN A 94 -2.230 7.099 -11.884 1.00 0.00 C ATOM 1486 O GLN A 94 -3.228 6.655 -11.311 1.00 0.00 O ATOM 1487 CB GLN A 94 -1.394 6.271 -14.100 1.00 0.00 C ATOM 1488 CG GLN A 94 -2.834 6.192 -14.606 1.00 0.00 C ATOM 1489 CD GLN A 94 -3.495 4.846 -14.365 1.00 0.00 C ATOM 1490 OE1 GLN A 94 -2.838 3.804 -14.357 1.00 0.00 O ATOM 1491 NE2 GLN A 94 -4.801 4.861 -14.158 1.00 0.00 N ATOM 0 H GLN A 94 -2.180 4.289 -12.630 1.00 0.00 H new ATOM 0 HA GLN A 94 -0.227 6.456 -12.304 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -0.959 7.215 -14.428 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -0.815 5.474 -14.567 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -3.424 6.968 -14.119 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -2.846 6.406 -15.675 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -5.310 5.745 -14.173 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -5.300 3.989 -13.984 1.00 0.00 H new ATOM 1500 N ASP A 95 -1.946 8.390 -11.940 1.00 0.00 N ATOM 1501 CA ASP A 95 -2.853 9.397 -11.406 1.00 0.00 C ATOM 1502 C ASP A 95 -2.799 10.637 -12.278 1.00 0.00 C ATOM 1503 O ASP A 95 -3.809 11.073 -12.826 1.00 0.00 O ATOM 1504 CB ASP A 95 -2.491 9.761 -9.966 1.00 0.00 C ATOM 1505 CG ASP A 95 -3.604 10.516 -9.266 1.00 0.00 C ATOM 1506 OD1 ASP A 95 -3.850 11.689 -9.608 1.00 0.00 O ATOM 1507 OD2 ASP A 95 -4.254 9.927 -8.378 1.00 0.00 O ATOM 0 H ASP A 95 -1.092 8.768 -12.351 1.00 0.00 H new ATOM 0 HA ASP A 95 -3.863 8.986 -11.407 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -2.266 8.851 -9.409 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -1.586 10.368 -9.964 1.00 0.00 H new ATOM 1512 N LEU A 96 -1.608 11.202 -12.403 1.00 0.00 N ATOM 1513 CA LEU A 96 -1.387 12.323 -13.299 1.00 0.00 C ATOM 1514 C LEU A 96 -1.221 11.805 -14.723 1.00 0.00 C ATOM 1515 O LEU A 96 -0.334 10.995 -14.989 1.00 0.00 O ATOM 1516 CB LEU A 96 -0.146 13.113 -12.875 1.00 0.00 C ATOM 1517 CG LEU A 96 -0.201 13.711 -11.466 1.00 0.00 C ATOM 1518 CD1 LEU A 96 1.115 14.393 -11.127 1.00 0.00 C ATOM 1519 CD2 LEU A 96 -1.355 14.695 -11.346 1.00 0.00 C ATOM 0 H LEU A 96 -0.778 10.900 -11.893 1.00 0.00 H new ATOM 0 HA LEU A 96 -2.247 12.991 -13.254 1.00 0.00 H new ATOM 0 HB2 LEU A 96 0.722 12.457 -12.940 1.00 0.00 H new ATOM 0 HB3 LEU A 96 0.012 13.921 -13.589 1.00 0.00 H new ATOM 0 HG LEU A 96 -0.365 12.901 -10.756 1.00 0.00 H new ATOM 0 HD11 LEU A 96 1.059 14.813 -10.123 1.00 0.00 H new ATOM 0 HD12 LEU A 96 1.924 13.664 -11.171 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.306 15.192 -11.844 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -1.377 15.109 -10.338 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -1.222 15.502 -12.067 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.294 14.180 -11.548 1.00 0.00 H new ATOM 1531 N PRO A 97 -2.085 12.249 -15.647 1.00 0.00 N ATOM 1532 CA PRO A 97 -2.058 11.794 -17.043 1.00 0.00 C ATOM 1533 C PRO A 97 -0.719 12.070 -17.716 1.00 0.00 C ATOM 1534 O PRO A 97 -0.171 11.209 -18.407 1.00 0.00 O ATOM 1535 CB PRO A 97 -3.173 12.604 -17.711 1.00 0.00 C ATOM 1536 CG PRO A 97 -4.060 13.032 -16.593 1.00 0.00 C ATOM 1537 CD PRO A 97 -3.162 13.221 -15.407 1.00 0.00 C ATOM 0 HA PRO A 97 -2.198 10.716 -17.120 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -2.770 13.464 -18.247 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -3.717 12.002 -18.438 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -4.581 13.957 -16.840 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -4.823 12.281 -16.390 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -2.780 14.240 -15.349 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -3.683 13.022 -14.471 1.00 0.00 H new ATOM 1545 N GLU A 98 -0.199 13.275 -17.519 1.00 0.00 N ATOM 1546 CA GLU A 98 1.105 13.644 -18.050 1.00 0.00 C ATOM 1547 C GLU A 98 1.900 14.420 -17.007 1.00 0.00 C ATOM 1548 O GLU A 98 1.558 15.558 -16.680 1.00 0.00 O ATOM 1549 CB GLU A 98 0.962 14.498 -19.314 1.00 0.00 C ATOM 1550 CG GLU A 98 0.125 13.859 -20.408 1.00 0.00 C ATOM 1551 CD GLU A 98 0.133 14.669 -21.685 1.00 0.00 C ATOM 1552 OE1 GLU A 98 -0.402 15.797 -21.687 1.00 0.00 O ATOM 1553 OE2 GLU A 98 0.677 14.181 -22.698 1.00 0.00 O ATOM 0 H GLU A 98 -0.663 14.015 -16.993 1.00 0.00 H new ATOM 0 HA GLU A 98 1.633 12.725 -18.304 1.00 0.00 H new ATOM 0 HB2 GLU A 98 0.516 15.455 -19.043 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.955 14.710 -19.710 1.00 0.00 H new ATOM 0 HG2 GLU A 98 0.503 12.858 -20.613 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -0.901 13.747 -20.058 1.00 0.00 H new ATOM 1560 N ILE A 99 2.943 13.803 -16.469 1.00 0.00 N ATOM 1561 CA ILE A 99 3.819 14.489 -15.530 1.00 0.00 C ATOM 1562 C ILE A 99 4.853 15.310 -16.289 1.00 0.00 C ATOM 1563 O ILE A 99 5.782 14.763 -16.886 1.00 0.00 O ATOM 1564 CB ILE A 99 4.539 13.509 -14.579 1.00 0.00 C ATOM 1565 CG1 ILE A 99 3.517 12.710 -13.765 1.00 0.00 C ATOM 1566 CG2 ILE A 99 5.487 14.263 -13.653 1.00 0.00 C ATOM 1567 CD1 ILE A 99 4.143 11.750 -12.776 1.00 0.00 C ATOM 0 H ILE A 99 3.202 12.836 -16.665 1.00 0.00 H new ATOM 0 HA ILE A 99 3.193 15.142 -14.922 1.00 0.00 H new ATOM 0 HB ILE A 99 5.126 12.813 -15.178 1.00 0.00 H new ATOM 0 HG12 ILE A 99 2.873 13.404 -13.226 1.00 0.00 H new ATOM 0 HG13 ILE A 99 2.880 12.149 -14.449 1.00 0.00 H new ATOM 0 HG21 ILE A 99 5.986 13.557 -12.990 1.00 0.00 H new ATOM 0 HG22 ILE A 99 6.232 14.791 -14.247 1.00 0.00 H new ATOM 0 HG23 ILE A 99 4.921 14.981 -13.059 1.00 0.00 H new ATOM 0 HD11 ILE A 99 3.358 11.220 -12.237 1.00 0.00 H new ATOM 0 HD12 ILE A 99 4.765 11.032 -13.310 1.00 0.00 H new ATOM 0 HD13 ILE A 99 4.758 12.306 -12.068 1.00 0.00 H new ATOM 1579 N THR A 100 4.670 16.618 -16.283 1.00 0.00 N ATOM 1580 CA THR A 100 5.563 17.517 -16.985 1.00 0.00 C ATOM 1581 C THR A 100 6.399 18.336 -16.012 1.00 0.00 C ATOM 1582 O THR A 100 5.923 18.735 -14.947 1.00 0.00 O ATOM 1583 CB THR A 100 4.775 18.466 -17.903 1.00 0.00 C ATOM 1584 OG1 THR A 100 3.632 18.977 -17.203 1.00 0.00 O ATOM 1585 CG2 THR A 100 4.334 17.748 -19.167 1.00 0.00 C ATOM 0 H THR A 100 3.904 17.083 -15.795 1.00 0.00 H new ATOM 0 HA THR A 100 6.229 16.902 -17.591 1.00 0.00 H new ATOM 0 HB THR A 100 5.424 19.294 -18.189 1.00 0.00 H new ATOM 0 HG1 THR A 100 3.133 19.583 -17.790 1.00 0.00 H new ATOM 0 HG21 THR A 100 3.778 18.438 -19.802 1.00 0.00 H new ATOM 0 HG22 THR A 100 5.210 17.386 -19.704 1.00 0.00 H new ATOM 0 HG23 THR A 100 3.696 16.904 -18.903 1.00 0.00 H new ATOM 1593 N ALA A 101 7.641 18.575 -16.386 1.00 0.00 N ATOM 1594 CA ALA A 101 8.545 19.382 -15.587 1.00 0.00 C ATOM 1595 C ALA A 101 9.153 20.473 -16.454 1.00 0.00 C ATOM 1596 O ALA A 101 9.819 20.185 -17.448 1.00 0.00 O ATOM 1597 CB ALA A 101 9.636 18.517 -14.970 1.00 0.00 C ATOM 0 H ALA A 101 8.051 18.217 -17.249 1.00 0.00 H new ATOM 0 HA ALA A 101 7.984 19.844 -14.774 1.00 0.00 H new ATOM 0 HB1 ALA A 101 10.303 19.141 -14.375 1.00 0.00 H new ATOM 0 HB2 ALA A 101 9.182 17.760 -14.331 1.00 0.00 H new ATOM 0 HB3 ALA A 101 10.205 18.030 -15.762 1.00 0.00 H new ATOM 1603 N GLN A 102 8.926 21.719 -16.081 1.00 0.00 N ATOM 1604 CA GLN A 102 9.366 22.845 -16.887 1.00 0.00 C ATOM 1605 C GLN A 102 9.566 24.083 -16.022 1.00 0.00 C ATOM 1606 O GLN A 102 8.617 24.622 -15.451 1.00 0.00 O ATOM 1607 CB GLN A 102 8.357 23.117 -18.012 1.00 0.00 C ATOM 1608 CG GLN A 102 6.908 23.182 -17.548 1.00 0.00 C ATOM 1609 CD GLN A 102 5.932 23.281 -18.703 1.00 0.00 C ATOM 1610 OE1 GLN A 102 5.464 22.272 -19.226 1.00 0.00 O ATOM 1611 NE2 GLN A 102 5.609 24.497 -19.105 1.00 0.00 N ATOM 0 H GLN A 102 8.439 21.978 -15.223 1.00 0.00 H new ATOM 0 HA GLN A 102 10.326 22.596 -17.339 1.00 0.00 H new ATOM 0 HB2 GLN A 102 8.614 24.059 -18.496 1.00 0.00 H new ATOM 0 HB3 GLN A 102 8.451 22.335 -18.766 1.00 0.00 H new ATOM 0 HG2 GLN A 102 6.679 22.295 -16.958 1.00 0.00 H new ATOM 0 HG3 GLN A 102 6.778 24.043 -16.892 1.00 0.00 H new ATOM 0 HE21 GLN A 102 6.018 25.311 -18.646 1.00 0.00 H new ATOM 0 HE22 GLN A 102 4.951 24.622 -19.874 1.00 0.00 H new