USER MOD reduce.3.24.130724 H: found=0, std=0, add=801, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 798 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 67 GLN : amide:sc= -2.37 K(o=-5,f=-12!) USER MOD Set 1.2: A 72 HIS :FLIP no HD1:sc= -2.63 F(o=-6.4!,f=-5) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 48:sc= 0.754 USER MOD Single : A 3 SER OG : rot 180:sc= -0.178 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 44:sc= 0.106 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -160:sc= -0.264 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.637 K(o=-0.64,f=-2.5!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -1.66 K(o=-1.7,f=-3.1!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= -0.102 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 GLN : amide:sc= -0.0947 X(o=-0.095,f=0) USER MOD Single : A 63 TYR OH : rot 180:sc= -0.513 USER MOD Single : A 68 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0497) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 HIS : no HE2:sc= -0.846 X(o=-0.85,f=-0.67) USER MOD Single : A 80 LYS NZ :NH3+ 142:sc= -1.03 (180deg=-2.48!) USER MOD Single : A 81 HIS : no HE2:sc= -1.75 X(o=-1.8,f=-1.7) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0.05) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot -121:sc= 0.945 USER MOD Single : A 92 CYS SG : rot 180:sc= -1.47 USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 SER OG : rot -170:sc=-0.00301 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= -0.148 X(o=-0.15,f=-0.6) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.482 9.779 -4.264 1.00 0.00 N ATOM 2 CA GLY A 1 -17.893 9.792 -4.603 1.00 0.00 C ATOM 3 C GLY A 1 -18.698 8.815 -3.771 1.00 0.00 C ATOM 4 O GLY A 1 -18.554 7.601 -3.914 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.975 10.464 -4.861 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.363 10.037 -3.263 1.00 0.00 H new ATOM 0 H3 GLY A 1 -16.095 8.827 -4.425 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -18.288 10.798 -4.460 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -18.012 9.549 -5.659 1.00 0.00 H new ATOM 8 N SER A 2 -19.548 9.344 -2.897 1.00 0.00 N ATOM 9 CA SER A 2 -20.376 8.510 -2.034 1.00 0.00 C ATOM 10 C SER A 2 -21.855 8.676 -2.374 1.00 0.00 C ATOM 11 O SER A 2 -22.515 9.595 -1.888 1.00 0.00 O ATOM 12 CB SER A 2 -20.136 8.863 -0.565 1.00 0.00 C ATOM 13 OG SER A 2 -20.419 10.229 -0.316 1.00 0.00 O ATOM 0 H SER A 2 -19.681 10.347 -2.768 1.00 0.00 H new ATOM 0 HA SER A 2 -20.097 7.469 -2.200 1.00 0.00 H new ATOM 0 HB2 SER A 2 -20.763 8.237 0.070 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.100 8.649 -0.301 1.00 0.00 H new ATOM 0 HG SER A 2 -21.285 10.461 -0.711 1.00 0.00 H new ATOM 19 N SER A 3 -22.367 7.780 -3.211 1.00 0.00 N ATOM 20 CA SER A 3 -23.766 7.828 -3.619 1.00 0.00 C ATOM 21 C SER A 3 -24.681 7.394 -2.478 1.00 0.00 C ATOM 22 O SER A 3 -25.623 8.099 -2.119 1.00 0.00 O ATOM 23 CB SER A 3 -23.995 6.934 -4.839 1.00 0.00 C ATOM 24 OG SER A 3 -23.708 5.579 -4.539 1.00 0.00 O ATOM 0 H SER A 3 -21.834 7.012 -3.620 1.00 0.00 H new ATOM 0 HA SER A 3 -24.006 8.858 -3.882 1.00 0.00 H new ATOM 0 HB2 SER A 3 -25.029 7.025 -5.172 1.00 0.00 H new ATOM 0 HB3 SER A 3 -23.365 7.269 -5.663 1.00 0.00 H new ATOM 0 HG SER A 3 -23.864 5.028 -5.334 1.00 0.00 H new ATOM 30 N GLY A 4 -24.395 6.225 -1.911 1.00 0.00 N ATOM 31 CA GLY A 4 -25.200 5.715 -0.816 1.00 0.00 C ATOM 32 C GLY A 4 -24.491 5.815 0.520 1.00 0.00 C ATOM 33 O GLY A 4 -23.388 6.353 0.606 1.00 0.00 O ATOM 0 H GLY A 4 -23.621 5.623 -2.190 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -26.137 6.270 -0.769 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -25.455 4.674 -1.011 1.00 0.00 H new ATOM 37 N SER A 5 -25.128 5.297 1.566 1.00 0.00 N ATOM 38 CA SER A 5 -24.554 5.335 2.905 1.00 0.00 C ATOM 39 C SER A 5 -23.189 4.652 2.932 1.00 0.00 C ATOM 40 O SER A 5 -23.098 3.425 2.965 1.00 0.00 O ATOM 41 CB SER A 5 -25.494 4.659 3.906 1.00 0.00 C ATOM 42 OG SER A 5 -26.713 5.373 4.022 1.00 0.00 O ATOM 0 H SER A 5 -26.041 4.846 1.511 1.00 0.00 H new ATOM 0 HA SER A 5 -24.424 6.380 3.187 1.00 0.00 H new ATOM 0 HB2 SER A 5 -25.696 3.637 3.587 1.00 0.00 H new ATOM 0 HB3 SER A 5 -25.010 4.598 4.881 1.00 0.00 H new ATOM 0 HG SER A 5 -27.297 4.921 4.666 1.00 0.00 H new ATOM 48 N SER A 6 -22.132 5.457 2.916 1.00 0.00 N ATOM 49 CA SER A 6 -20.772 4.932 2.934 1.00 0.00 C ATOM 50 C SER A 6 -20.078 5.264 4.252 1.00 0.00 C ATOM 51 O SER A 6 -18.876 5.524 4.286 1.00 0.00 O ATOM 52 CB SER A 6 -19.967 5.502 1.764 1.00 0.00 C ATOM 53 OG SER A 6 -18.868 4.665 1.445 1.00 0.00 O ATOM 0 H SER A 6 -22.191 6.475 2.891 1.00 0.00 H new ATOM 0 HA SER A 6 -20.827 3.848 2.835 1.00 0.00 H new ATOM 0 HB2 SER A 6 -20.612 5.608 0.892 1.00 0.00 H new ATOM 0 HB3 SER A 6 -19.607 6.499 2.018 1.00 0.00 H new ATOM 0 HG SER A 6 -19.160 3.729 1.442 1.00 0.00 H new ATOM 59 N GLY A 7 -20.847 5.253 5.337 1.00 0.00 N ATOM 60 CA GLY A 7 -20.291 5.555 6.643 1.00 0.00 C ATOM 61 C GLY A 7 -19.082 4.700 6.970 1.00 0.00 C ATOM 62 O GLY A 7 -17.980 5.215 7.160 1.00 0.00 O ATOM 0 H GLY A 7 -21.845 5.040 5.335 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -20.009 6.607 6.680 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -21.056 5.403 7.404 1.00 0.00 H new ATOM 66 N THR A 8 -19.288 3.388 7.037 1.00 0.00 N ATOM 67 CA THR A 8 -18.208 2.460 7.346 1.00 0.00 C ATOM 68 C THR A 8 -18.347 1.168 6.548 1.00 0.00 C ATOM 69 O THR A 8 -19.325 0.977 5.826 1.00 0.00 O ATOM 70 CB THR A 8 -18.171 2.121 8.848 1.00 0.00 C ATOM 71 OG1 THR A 8 -19.365 1.424 9.222 1.00 0.00 O ATOM 72 CG2 THR A 8 -18.032 3.383 9.685 1.00 0.00 C ATOM 0 H THR A 8 -20.193 2.945 6.881 1.00 0.00 H new ATOM 0 HA THR A 8 -17.277 2.956 7.070 1.00 0.00 H new ATOM 0 HB THR A 8 -17.306 1.485 9.033 1.00 0.00 H new ATOM 0 HG1 THR A 8 -19.333 1.210 10.178 1.00 0.00 H new ATOM 0 HG21 THR A 8 -18.008 3.118 10.742 1.00 0.00 H new ATOM 0 HG22 THR A 8 -17.108 3.896 9.419 1.00 0.00 H new ATOM 0 HG23 THR A 8 -18.880 4.041 9.495 1.00 0.00 H new ATOM 80 N ALA A 9 -17.363 0.285 6.685 1.00 0.00 N ATOM 81 CA ALA A 9 -17.378 -0.990 5.978 1.00 0.00 C ATOM 82 C ALA A 9 -16.761 -2.095 6.828 1.00 0.00 C ATOM 83 O ALA A 9 -16.130 -1.827 7.850 1.00 0.00 O ATOM 84 CB ALA A 9 -16.642 -0.867 4.652 1.00 0.00 C ATOM 0 H ALA A 9 -16.546 0.429 7.279 1.00 0.00 H new ATOM 0 HA ALA A 9 -18.416 -1.256 5.780 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -16.661 -1.826 4.135 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -17.129 -0.112 4.034 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -15.608 -0.574 4.835 1.00 0.00 H new ATOM 90 N ARG A 10 -16.949 -3.339 6.399 1.00 0.00 N ATOM 91 CA ARG A 10 -16.413 -4.486 7.123 1.00 0.00 C ATOM 92 C ARG A 10 -15.310 -5.168 6.319 1.00 0.00 C ATOM 93 O ARG A 10 -15.303 -5.119 5.088 1.00 0.00 O ATOM 94 CB ARG A 10 -17.527 -5.487 7.432 1.00 0.00 C ATOM 95 CG ARG A 10 -17.305 -6.267 8.718 1.00 0.00 C ATOM 96 CD ARG A 10 -17.520 -5.392 9.943 1.00 0.00 C ATOM 97 NE ARG A 10 -16.831 -5.918 11.119 1.00 0.00 N ATOM 98 CZ ARG A 10 -16.660 -5.227 12.241 1.00 0.00 C ATOM 99 NH1 ARG A 10 -17.126 -3.990 12.339 1.00 0.00 N ATOM 100 NH2 ARG A 10 -16.022 -5.775 13.267 1.00 0.00 N ATOM 0 H ARG A 10 -17.468 -3.578 5.554 1.00 0.00 H new ATOM 0 HA ARG A 10 -15.987 -4.127 8.060 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -18.475 -4.953 7.500 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -17.614 -6.188 6.602 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -17.987 -7.117 8.752 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -16.292 -6.670 8.730 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -17.164 -4.383 9.735 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -18.587 -5.316 10.152 1.00 0.00 H new ATOM 0 HE ARG A 10 -16.461 -6.868 11.076 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -17.617 -3.566 11.552 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -16.993 -3.462 13.201 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -15.663 -6.727 13.195 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -15.891 -5.244 14.128 1.00 0.00 H new ATOM 114 N LEU A 11 -14.379 -5.803 7.022 1.00 0.00 N ATOM 115 CA LEU A 11 -13.270 -6.495 6.375 1.00 0.00 C ATOM 116 C LEU A 11 -13.598 -7.969 6.161 1.00 0.00 C ATOM 117 O LEU A 11 -13.936 -8.684 7.105 1.00 0.00 O ATOM 118 CB LEU A 11 -11.998 -6.361 7.215 1.00 0.00 C ATOM 119 CG LEU A 11 -10.716 -6.901 6.582 1.00 0.00 C ATOM 120 CD1 LEU A 11 -10.342 -6.087 5.354 1.00 0.00 C ATOM 121 CD2 LEU A 11 -9.579 -6.896 7.594 1.00 0.00 C ATOM 0 H LEU A 11 -14.370 -5.853 8.041 1.00 0.00 H new ATOM 0 HA LEU A 11 -13.105 -6.033 5.402 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -11.849 -5.306 7.446 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -12.156 -6.876 8.163 1.00 0.00 H new ATOM 0 HG LEU A 11 -10.894 -7.930 6.269 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -9.427 -6.487 4.917 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -11.148 -6.142 4.622 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -10.183 -5.048 5.641 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -8.674 -7.284 7.126 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -9.402 -5.877 7.937 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -9.846 -7.524 8.444 1.00 0.00 H new ATOM 133 N VAL A 12 -13.495 -8.419 4.914 1.00 0.00 N ATOM 134 CA VAL A 12 -13.777 -9.808 4.577 1.00 0.00 C ATOM 135 C VAL A 12 -12.502 -10.552 4.198 1.00 0.00 C ATOM 136 O VAL A 12 -12.346 -11.734 4.505 1.00 0.00 O ATOM 137 CB VAL A 12 -14.783 -9.910 3.414 1.00 0.00 C ATOM 138 CG1 VAL A 12 -16.201 -10.048 3.945 1.00 0.00 C ATOM 139 CG2 VAL A 12 -14.662 -8.702 2.499 1.00 0.00 C ATOM 0 H VAL A 12 -13.218 -7.841 4.121 1.00 0.00 H new ATOM 0 HA VAL A 12 -14.211 -10.267 5.465 1.00 0.00 H new ATOM 0 HB VAL A 12 -14.551 -10.802 2.832 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -16.897 -10.119 3.109 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -16.275 -10.948 4.556 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -16.449 -9.177 4.551 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -15.379 -8.790 1.683 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -14.867 -7.794 3.066 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -13.652 -8.654 2.091 1.00 0.00 H new ATOM 149 N ALA A 13 -11.592 -9.852 3.529 1.00 0.00 N ATOM 150 CA ALA A 13 -10.328 -10.445 3.110 1.00 0.00 C ATOM 151 C ALA A 13 -9.157 -9.520 3.422 1.00 0.00 C ATOM 152 O ALA A 13 -8.745 -8.719 2.583 1.00 0.00 O ATOM 153 CB ALA A 13 -10.365 -10.771 1.624 1.00 0.00 C ATOM 0 H ALA A 13 -11.707 -8.873 3.265 1.00 0.00 H new ATOM 0 HA ALA A 13 -10.185 -11.369 3.670 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -9.415 -11.213 1.325 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -11.172 -11.477 1.426 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -10.535 -9.857 1.055 1.00 0.00 H new ATOM 159 N GLY A 14 -8.624 -9.634 4.634 1.00 0.00 N ATOM 160 CA GLY A 14 -7.506 -8.801 5.035 1.00 0.00 C ATOM 161 C GLY A 14 -6.312 -8.950 4.113 1.00 0.00 C ATOM 162 O GLY A 14 -6.330 -9.763 3.188 1.00 0.00 O ATOM 0 H GLY A 14 -8.947 -10.289 5.346 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -7.821 -7.758 5.050 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -7.211 -9.060 6.052 1.00 0.00 H new ATOM 166 N LEU A 15 -5.272 -8.162 4.364 1.00 0.00 N ATOM 167 CA LEU A 15 -4.063 -8.209 3.548 1.00 0.00 C ATOM 168 C LEU A 15 -3.213 -9.425 3.902 1.00 0.00 C ATOM 169 O LEU A 15 -3.587 -10.226 4.758 1.00 0.00 O ATOM 170 CB LEU A 15 -3.247 -6.929 3.737 1.00 0.00 C ATOM 171 CG LEU A 15 -3.915 -5.633 3.276 1.00 0.00 C ATOM 172 CD1 LEU A 15 -3.425 -4.456 4.106 1.00 0.00 C ATOM 173 CD2 LEU A 15 -3.649 -5.392 1.798 1.00 0.00 C ATOM 0 H LEU A 15 -5.241 -7.484 5.125 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.363 -8.291 2.503 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.001 -6.831 4.794 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.305 -7.040 3.200 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.991 -5.731 3.420 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.911 -3.542 3.764 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.667 -4.625 5.155 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.345 -4.356 3.994 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.132 -4.465 1.488 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.575 -5.315 1.629 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.049 -6.222 1.216 1.00 0.00 H new ATOM 185 N GLU A 16 -2.068 -9.553 3.240 1.00 0.00 N ATOM 186 CA GLU A 16 -1.164 -10.671 3.487 1.00 0.00 C ATOM 187 C GLU A 16 0.291 -10.240 3.326 1.00 0.00 C ATOM 188 O GLU A 16 0.609 -9.388 2.497 1.00 0.00 O ATOM 189 CB GLU A 16 -1.474 -11.826 2.532 1.00 0.00 C ATOM 190 CG GLU A 16 -2.887 -12.367 2.669 1.00 0.00 C ATOM 191 CD GLU A 16 -3.043 -13.751 2.069 1.00 0.00 C ATOM 192 OE1 GLU A 16 -3.202 -13.848 0.835 1.00 0.00 O ATOM 193 OE2 GLU A 16 -3.006 -14.736 2.835 1.00 0.00 O ATOM 0 H GLU A 16 -1.744 -8.897 2.529 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.314 -11.007 4.513 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.321 -11.489 1.507 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -0.765 -12.635 2.711 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.159 -12.400 3.724 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.582 -11.683 2.182 1.00 0.00 H new ATOM 200 N ASP A 17 1.169 -10.835 4.126 1.00 0.00 N ATOM 201 CA ASP A 17 2.591 -10.515 4.073 1.00 0.00 C ATOM 202 C ASP A 17 3.179 -10.875 2.713 1.00 0.00 C ATOM 203 O ASP A 17 2.811 -11.886 2.114 1.00 0.00 O ATOM 204 CB ASP A 17 3.343 -11.254 5.181 1.00 0.00 C ATOM 205 CG ASP A 17 2.945 -10.782 6.565 1.00 0.00 C ATOM 206 OD1 ASP A 17 1.839 -10.220 6.705 1.00 0.00 O ATOM 207 OD2 ASP A 17 3.741 -10.974 7.509 1.00 0.00 O ATOM 0 H ASP A 17 0.921 -11.541 4.819 1.00 0.00 H new ATOM 0 HA ASP A 17 2.703 -9.441 4.223 1.00 0.00 H new ATOM 0 HB2 ASP A 17 3.151 -12.323 5.096 1.00 0.00 H new ATOM 0 HB3 ASP A 17 4.415 -11.111 5.046 1.00 0.00 H new ATOM 212 N VAL A 18 4.096 -10.042 2.230 1.00 0.00 N ATOM 213 CA VAL A 18 4.735 -10.273 0.941 1.00 0.00 C ATOM 214 C VAL A 18 6.214 -9.905 0.987 1.00 0.00 C ATOM 215 O VAL A 18 6.580 -8.825 1.450 1.00 0.00 O ATOM 216 CB VAL A 18 4.051 -9.465 -0.178 1.00 0.00 C ATOM 217 CG1 VAL A 18 4.746 -9.702 -1.510 1.00 0.00 C ATOM 218 CG2 VAL A 18 2.575 -9.823 -0.267 1.00 0.00 C ATOM 0 H VAL A 18 4.413 -9.201 2.713 1.00 0.00 H new ATOM 0 HA VAL A 18 4.634 -11.336 0.724 1.00 0.00 H new ATOM 0 HB VAL A 18 4.131 -8.405 0.063 1.00 0.00 H new ATOM 0 HG11 VAL A 18 4.249 -9.123 -2.288 1.00 0.00 H new ATOM 0 HG12 VAL A 18 5.788 -9.392 -1.437 1.00 0.00 H new ATOM 0 HG13 VAL A 18 4.700 -10.762 -1.761 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.107 -9.243 -1.063 1.00 0.00 H new ATOM 0 HG22 VAL A 18 2.471 -10.886 -0.484 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.088 -9.597 0.681 1.00 0.00 H new ATOM 228 N GLN A 19 7.059 -10.810 0.504 1.00 0.00 N ATOM 229 CA GLN A 19 8.499 -10.579 0.490 1.00 0.00 C ATOM 230 C GLN A 19 9.058 -10.710 -0.922 1.00 0.00 C ATOM 231 O GLN A 19 8.812 -11.702 -1.609 1.00 0.00 O ATOM 232 CB GLN A 19 9.203 -11.566 1.424 1.00 0.00 C ATOM 233 CG GLN A 19 9.559 -12.885 0.758 1.00 0.00 C ATOM 234 CD GLN A 19 9.759 -14.008 1.757 1.00 0.00 C ATOM 235 OE1 GLN A 19 8.960 -14.942 1.827 1.00 0.00 O ATOM 236 NE2 GLN A 19 10.830 -13.922 2.537 1.00 0.00 N ATOM 0 H GLN A 19 6.772 -11.709 0.118 1.00 0.00 H new ATOM 0 HA GLN A 19 8.682 -9.563 0.840 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.113 -11.105 1.807 1.00 0.00 H new ATOM 0 HB3 GLN A 19 8.560 -11.763 2.282 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.768 -13.161 0.061 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.470 -12.758 0.173 1.00 0.00 H new ATOM 0 HE21 GLN A 19 11.466 -13.130 2.445 1.00 0.00 H new ATOM 0 HE22 GLN A 19 11.017 -14.648 3.229 1.00 0.00 H new ATOM 245 N VAL A 20 9.812 -9.703 -1.351 1.00 0.00 N ATOM 246 CA VAL A 20 10.407 -9.706 -2.682 1.00 0.00 C ATOM 247 C VAL A 20 11.831 -9.162 -2.649 1.00 0.00 C ATOM 248 O VAL A 20 12.217 -8.460 -1.714 1.00 0.00 O ATOM 249 CB VAL A 20 9.573 -8.870 -3.671 1.00 0.00 C ATOM 250 CG1 VAL A 20 8.203 -9.497 -3.878 1.00 0.00 C ATOM 251 CG2 VAL A 20 9.444 -7.436 -3.180 1.00 0.00 C ATOM 0 H VAL A 20 10.025 -8.874 -0.796 1.00 0.00 H new ATOM 0 HA VAL A 20 10.425 -10.743 -3.018 1.00 0.00 H new ATOM 0 HB VAL A 20 10.088 -8.856 -4.632 1.00 0.00 H new ATOM 0 HG11 VAL A 20 7.628 -8.892 -4.580 1.00 0.00 H new ATOM 0 HG12 VAL A 20 8.320 -10.504 -4.278 1.00 0.00 H new ATOM 0 HG13 VAL A 20 7.677 -9.545 -2.925 1.00 0.00 H new ATOM 0 HG21 VAL A 20 8.852 -6.860 -3.891 1.00 0.00 H new ATOM 0 HG22 VAL A 20 8.952 -7.427 -2.207 1.00 0.00 H new ATOM 0 HG23 VAL A 20 10.435 -6.992 -3.090 1.00 0.00 H new ATOM 261 N TYR A 21 12.608 -9.491 -3.675 1.00 0.00 N ATOM 262 CA TYR A 21 13.991 -9.037 -3.762 1.00 0.00 C ATOM 263 C TYR A 21 14.057 -7.567 -4.166 1.00 0.00 C ATOM 264 O TYR A 21 13.064 -6.986 -4.603 1.00 0.00 O ATOM 265 CB TYR A 21 14.766 -9.890 -4.768 1.00 0.00 C ATOM 266 CG TYR A 21 15.287 -11.186 -4.189 1.00 0.00 C ATOM 267 CD1 TYR A 21 14.456 -12.027 -3.460 1.00 0.00 C ATOM 268 CD2 TYR A 21 16.610 -11.568 -4.369 1.00 0.00 C ATOM 269 CE1 TYR A 21 14.927 -13.212 -2.928 1.00 0.00 C ATOM 270 CE2 TYR A 21 17.090 -12.752 -3.843 1.00 0.00 C ATOM 271 CZ TYR A 21 16.245 -13.570 -3.123 1.00 0.00 C ATOM 272 OH TYR A 21 16.719 -14.749 -2.595 1.00 0.00 O ATOM 0 H TYR A 21 12.304 -10.070 -4.458 1.00 0.00 H new ATOM 0 HA TYR A 21 14.446 -9.145 -2.777 1.00 0.00 H new ATOM 0 HB2 TYR A 21 14.119 -10.115 -5.616 1.00 0.00 H new ATOM 0 HB3 TYR A 21 15.605 -9.310 -5.153 1.00 0.00 H new ATOM 0 HD1 TYR A 21 13.424 -11.750 -3.306 1.00 0.00 H new ATOM 0 HD2 TYR A 21 17.275 -10.928 -4.930 1.00 0.00 H new ATOM 0 HE1 TYR A 21 14.267 -13.854 -2.363 1.00 0.00 H new ATOM 0 HE2 TYR A 21 18.121 -13.035 -3.995 1.00 0.00 H new ATOM 0 HH TYR A 21 17.666 -14.853 -2.824 1.00 0.00 H new ATOM 282 N ASP A 22 15.236 -6.973 -4.017 1.00 0.00 N ATOM 283 CA ASP A 22 15.435 -5.571 -4.367 1.00 0.00 C ATOM 284 C ASP A 22 15.110 -5.327 -5.837 1.00 0.00 C ATOM 285 O ASP A 22 15.427 -6.147 -6.698 1.00 0.00 O ATOM 286 CB ASP A 22 16.876 -5.150 -4.074 1.00 0.00 C ATOM 287 CG ASP A 22 17.227 -3.815 -4.701 1.00 0.00 C ATOM 288 OD1 ASP A 22 17.309 -3.748 -5.945 1.00 0.00 O ATOM 289 OD2 ASP A 22 17.423 -2.838 -3.948 1.00 0.00 O ATOM 0 H ASP A 22 16.068 -7.440 -3.656 1.00 0.00 H new ATOM 0 HA ASP A 22 14.758 -4.970 -3.759 1.00 0.00 H new ATOM 0 HB2 ASP A 22 17.022 -5.091 -2.995 1.00 0.00 H new ATOM 0 HB3 ASP A 22 17.558 -5.914 -4.447 1.00 0.00 H new ATOM 294 N GLY A 23 14.473 -4.193 -6.117 1.00 0.00 N ATOM 295 CA GLY A 23 14.114 -3.862 -7.484 1.00 0.00 C ATOM 296 C GLY A 23 12.830 -4.535 -7.925 1.00 0.00 C ATOM 297 O GLY A 23 12.185 -4.092 -8.874 1.00 0.00 O ATOM 0 H GLY A 23 14.200 -3.498 -5.422 1.00 0.00 H new ATOM 0 HA2 GLY A 23 14.004 -2.781 -7.576 1.00 0.00 H new ATOM 0 HA3 GLY A 23 14.924 -4.158 -8.151 1.00 0.00 H new ATOM 301 N GLU A 24 12.458 -5.609 -7.235 1.00 0.00 N ATOM 302 CA GLU A 24 11.243 -6.344 -7.564 1.00 0.00 C ATOM 303 C GLU A 24 10.007 -5.476 -7.350 1.00 0.00 C ATOM 304 O GLU A 24 10.114 -4.291 -7.036 1.00 0.00 O ATOM 305 CB GLU A 24 11.142 -7.613 -6.714 1.00 0.00 C ATOM 306 CG GLU A 24 12.295 -8.580 -6.925 1.00 0.00 C ATOM 307 CD GLU A 24 12.485 -8.951 -8.383 1.00 0.00 C ATOM 308 OE1 GLU A 24 11.484 -8.960 -9.129 1.00 0.00 O ATOM 309 OE2 GLU A 24 13.637 -9.232 -8.777 1.00 0.00 O ATOM 0 H GLU A 24 12.980 -5.989 -6.446 1.00 0.00 H new ATOM 0 HA GLU A 24 11.292 -6.623 -8.617 1.00 0.00 H new ATOM 0 HB2 GLU A 24 11.102 -7.333 -5.661 1.00 0.00 H new ATOM 0 HB3 GLU A 24 10.206 -8.121 -6.945 1.00 0.00 H new ATOM 0 HG2 GLU A 24 13.214 -8.133 -6.545 1.00 0.00 H new ATOM 0 HG3 GLU A 24 12.117 -9.485 -6.344 1.00 0.00 H new ATOM 316 N ASP A 25 8.833 -6.075 -7.524 1.00 0.00 N ATOM 317 CA ASP A 25 7.576 -5.357 -7.350 1.00 0.00 C ATOM 318 C ASP A 25 6.670 -6.081 -6.358 1.00 0.00 C ATOM 319 O ASP A 25 6.456 -7.288 -6.464 1.00 0.00 O ATOM 320 CB ASP A 25 6.862 -5.203 -8.693 1.00 0.00 C ATOM 321 CG ASP A 25 7.808 -4.809 -9.810 1.00 0.00 C ATOM 322 OD1 ASP A 25 8.922 -4.335 -9.504 1.00 0.00 O ATOM 323 OD2 ASP A 25 7.434 -4.972 -10.991 1.00 0.00 O ATOM 0 H ASP A 25 8.726 -7.055 -7.785 1.00 0.00 H new ATOM 0 HA ASP A 25 7.803 -4.368 -6.953 1.00 0.00 H new ATOM 0 HB2 ASP A 25 6.372 -6.142 -8.950 1.00 0.00 H new ATOM 0 HB3 ASP A 25 6.080 -4.450 -8.601 1.00 0.00 H new ATOM 328 N ALA A 26 6.142 -5.334 -5.394 1.00 0.00 N ATOM 329 CA ALA A 26 5.259 -5.904 -4.384 1.00 0.00 C ATOM 330 C ALA A 26 3.794 -5.671 -4.739 1.00 0.00 C ATOM 331 O ALA A 26 3.458 -4.706 -5.426 1.00 0.00 O ATOM 332 CB ALA A 26 5.572 -5.316 -3.016 1.00 0.00 C ATOM 0 H ALA A 26 6.310 -4.333 -5.291 1.00 0.00 H new ATOM 0 HA ALA A 26 5.431 -6.980 -4.353 1.00 0.00 H new ATOM 0 HB1 ALA A 26 4.905 -5.751 -2.272 1.00 0.00 H new ATOM 0 HB2 ALA A 26 6.606 -5.540 -2.752 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.430 -4.236 -3.043 1.00 0.00 H new ATOM 338 N VAL A 27 2.926 -6.560 -4.268 1.00 0.00 N ATOM 339 CA VAL A 27 1.497 -6.450 -4.537 1.00 0.00 C ATOM 340 C VAL A 27 0.679 -6.731 -3.281 1.00 0.00 C ATOM 341 O VAL A 27 0.971 -7.663 -2.532 1.00 0.00 O ATOM 342 CB VAL A 27 1.059 -7.421 -5.649 1.00 0.00 C ATOM 343 CG1 VAL A 27 -0.428 -7.271 -5.934 1.00 0.00 C ATOM 344 CG2 VAL A 27 1.878 -7.190 -6.911 1.00 0.00 C ATOM 0 H VAL A 27 3.187 -7.365 -3.698 1.00 0.00 H new ATOM 0 HA VAL A 27 1.314 -5.427 -4.866 1.00 0.00 H new ATOM 0 HB VAL A 27 1.238 -8.441 -5.308 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.719 -7.965 -6.722 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.996 -7.490 -5.030 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.636 -6.250 -6.254 1.00 0.00 H new ATOM 0 HG21 VAL A 27 1.555 -7.885 -7.686 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.732 -6.167 -7.257 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.934 -7.353 -6.694 1.00 0.00 H new ATOM 354 N PHE A 28 -0.348 -5.918 -3.057 1.00 0.00 N ATOM 355 CA PHE A 28 -1.209 -6.078 -1.891 1.00 0.00 C ATOM 356 C PHE A 28 -2.654 -5.723 -2.230 1.00 0.00 C ATOM 357 O PHE A 28 -2.913 -4.818 -3.024 1.00 0.00 O ATOM 358 CB PHE A 28 -0.713 -5.200 -0.740 1.00 0.00 C ATOM 359 CG PHE A 28 0.715 -5.465 -0.357 1.00 0.00 C ATOM 360 CD1 PHE A 28 1.037 -6.515 0.487 1.00 0.00 C ATOM 361 CD2 PHE A 28 1.736 -4.662 -0.841 1.00 0.00 C ATOM 362 CE1 PHE A 28 2.350 -6.762 0.841 1.00 0.00 C ATOM 363 CE2 PHE A 28 3.051 -4.904 -0.491 1.00 0.00 C ATOM 364 CZ PHE A 28 3.358 -5.954 0.352 1.00 0.00 C ATOM 0 H PHE A 28 -0.604 -5.142 -3.667 1.00 0.00 H new ATOM 0 HA PHE A 28 -1.172 -7.123 -1.583 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -0.817 -4.152 -1.022 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -1.350 -5.361 0.130 1.00 0.00 H new ATOM 0 HD1 PHE A 28 0.252 -7.149 0.873 1.00 0.00 H new ATOM 0 HD2 PHE A 28 1.501 -3.838 -1.499 1.00 0.00 H new ATOM 0 HE1 PHE A 28 2.587 -7.585 1.499 1.00 0.00 H new ATOM 0 HE2 PHE A 28 3.838 -4.273 -0.876 1.00 0.00 H new ATOM 0 HZ PHE A 28 4.385 -6.143 0.629 1.00 0.00 H new ATOM 374 N SER A 29 -3.592 -6.443 -1.623 1.00 0.00 N ATOM 375 CA SER A 29 -5.011 -6.208 -1.863 1.00 0.00 C ATOM 376 C SER A 29 -5.855 -6.766 -0.721 1.00 0.00 C ATOM 377 O SER A 29 -5.378 -7.566 0.086 1.00 0.00 O ATOM 378 CB SER A 29 -5.438 -6.845 -3.186 1.00 0.00 C ATOM 379 OG SER A 29 -5.162 -8.235 -3.196 1.00 0.00 O ATOM 0 H SER A 29 -3.395 -7.194 -0.961 1.00 0.00 H new ATOM 0 HA SER A 29 -5.172 -5.131 -1.918 1.00 0.00 H new ATOM 0 HB2 SER A 29 -6.504 -6.682 -3.344 1.00 0.00 H new ATOM 0 HB3 SER A 29 -4.915 -6.361 -4.011 1.00 0.00 H new ATOM 0 HG SER A 29 -5.446 -8.619 -4.052 1.00 0.00 H new ATOM 385 N LEU A 30 -7.111 -6.339 -0.658 1.00 0.00 N ATOM 386 CA LEU A 30 -8.023 -6.796 0.385 1.00 0.00 C ATOM 387 C LEU A 30 -9.475 -6.638 -0.055 1.00 0.00 C ATOM 388 O LEU A 30 -9.780 -5.858 -0.957 1.00 0.00 O ATOM 389 CB LEU A 30 -7.782 -6.015 1.678 1.00 0.00 C ATOM 390 CG LEU A 30 -7.978 -4.501 1.594 1.00 0.00 C ATOM 391 CD1 LEU A 30 -9.415 -4.129 1.926 1.00 0.00 C ATOM 392 CD2 LEU A 30 -7.010 -3.786 2.525 1.00 0.00 C ATOM 0 H LEU A 30 -7.521 -5.677 -1.317 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.830 -7.854 0.565 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -8.451 -6.406 2.445 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -6.764 -6.211 2.013 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.770 -4.183 0.572 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -9.535 -3.048 1.861 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -10.089 -4.612 1.218 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -9.652 -4.460 2.937 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -7.163 -2.709 2.452 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -7.186 -4.109 3.551 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.986 -4.027 2.240 1.00 0.00 H new ATOM 404 N ASP A 31 -10.367 -7.382 0.590 1.00 0.00 N ATOM 405 CA ASP A 31 -11.788 -7.323 0.268 1.00 0.00 C ATOM 406 C ASP A 31 -12.572 -6.652 1.392 1.00 0.00 C ATOM 407 O ASP A 31 -12.112 -6.589 2.533 1.00 0.00 O ATOM 408 CB ASP A 31 -12.335 -8.729 0.016 1.00 0.00 C ATOM 409 CG ASP A 31 -11.704 -9.387 -1.195 1.00 0.00 C ATOM 410 OD1 ASP A 31 -11.645 -8.737 -2.260 1.00 0.00 O ATOM 411 OD2 ASP A 31 -11.269 -10.552 -1.078 1.00 0.00 O ATOM 0 H ASP A 31 -10.131 -8.033 1.339 1.00 0.00 H new ATOM 0 HA ASP A 31 -11.906 -6.729 -0.638 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -12.158 -9.348 0.896 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -13.415 -8.676 -0.124 1.00 0.00 H new ATOM 416 N LEU A 32 -13.758 -6.152 1.062 1.00 0.00 N ATOM 417 CA LEU A 32 -14.606 -5.484 2.043 1.00 0.00 C ATOM 418 C LEU A 32 -16.039 -6.002 1.966 1.00 0.00 C ATOM 419 O LEU A 32 -16.355 -6.863 1.145 1.00 0.00 O ATOM 420 CB LEU A 32 -14.586 -3.971 1.819 1.00 0.00 C ATOM 421 CG LEU A 32 -13.213 -3.302 1.878 1.00 0.00 C ATOM 422 CD1 LEU A 32 -13.350 -1.791 1.781 1.00 0.00 C ATOM 423 CD2 LEU A 32 -12.484 -3.693 3.156 1.00 0.00 C ATOM 0 H LEU A 32 -14.154 -6.197 0.123 1.00 0.00 H new ATOM 0 HA LEU A 32 -14.212 -5.703 3.036 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -15.028 -3.762 0.845 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -15.228 -3.505 2.567 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.625 -3.647 1.028 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -12.362 -1.333 1.825 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -13.830 -1.529 0.838 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -13.956 -1.427 2.610 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.508 -3.208 3.181 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -13.069 -3.377 4.020 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.352 -4.775 3.183 1.00 0.00 H new ATOM 435 N SER A 33 -16.903 -5.470 2.825 1.00 0.00 N ATOM 436 CA SER A 33 -18.302 -5.879 2.855 1.00 0.00 C ATOM 437 C SER A 33 -19.175 -4.888 2.092 1.00 0.00 C ATOM 438 O SER A 33 -20.300 -5.203 1.704 1.00 0.00 O ATOM 439 CB SER A 33 -18.789 -5.998 4.300 1.00 0.00 C ATOM 440 OG SER A 33 -18.636 -7.321 4.783 1.00 0.00 O ATOM 0 H SER A 33 -16.658 -4.755 3.510 1.00 0.00 H new ATOM 0 HA SER A 33 -18.381 -6.852 2.371 1.00 0.00 H new ATOM 0 HB2 SER A 33 -18.230 -5.309 4.933 1.00 0.00 H new ATOM 0 HB3 SER A 33 -19.837 -5.705 4.359 1.00 0.00 H new ATOM 0 HG SER A 33 -19.222 -7.457 5.557 1.00 0.00 H new ATOM 446 N THR A 34 -18.647 -3.686 1.879 1.00 0.00 N ATOM 447 CA THR A 34 -19.377 -2.647 1.164 1.00 0.00 C ATOM 448 C THR A 34 -18.428 -1.584 0.620 1.00 0.00 C ATOM 449 O THR A 34 -17.258 -1.531 0.999 1.00 0.00 O ATOM 450 CB THR A 34 -20.423 -1.970 2.069 1.00 0.00 C ATOM 451 OG1 THR A 34 -21.393 -1.284 1.270 1.00 0.00 O ATOM 452 CG2 THR A 34 -19.759 -0.989 3.024 1.00 0.00 C ATOM 0 H THR A 34 -17.717 -3.409 2.192 1.00 0.00 H new ATOM 0 HA THR A 34 -19.888 -3.134 0.334 1.00 0.00 H new ATOM 0 HB THR A 34 -20.919 -2.744 2.655 1.00 0.00 H new ATOM 0 HG1 THR A 34 -22.055 -0.858 1.853 1.00 0.00 H new ATOM 0 HG21 THR A 34 -20.518 -0.523 3.653 1.00 0.00 H new ATOM 0 HG22 THR A 34 -19.043 -1.520 3.652 1.00 0.00 H new ATOM 0 HG23 THR A 34 -19.240 -0.220 2.452 1.00 0.00 H new ATOM 460 N ILE A 35 -18.941 -0.740 -0.269 1.00 0.00 N ATOM 461 CA ILE A 35 -18.139 0.322 -0.863 1.00 0.00 C ATOM 462 C ILE A 35 -17.676 1.318 0.195 1.00 0.00 C ATOM 463 O ILE A 35 -18.425 1.661 1.110 1.00 0.00 O ATOM 464 CB ILE A 35 -18.922 1.076 -1.954 1.00 0.00 C ATOM 465 CG1 ILE A 35 -19.330 0.117 -3.074 1.00 0.00 C ATOM 466 CG2 ILE A 35 -18.089 2.223 -2.507 1.00 0.00 C ATOM 467 CD1 ILE A 35 -20.678 -0.533 -2.852 1.00 0.00 C ATOM 0 H ILE A 35 -19.908 -0.771 -0.593 1.00 0.00 H new ATOM 0 HA ILE A 35 -17.269 -0.155 -1.315 1.00 0.00 H new ATOM 0 HB ILE A 35 -19.827 1.492 -1.510 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -19.349 0.661 -4.018 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -18.572 -0.661 -3.170 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -18.656 2.746 -3.277 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -17.845 2.916 -1.702 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -17.169 1.829 -2.939 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -20.902 -1.199 -3.685 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -20.658 -1.105 -1.925 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -21.447 0.237 -2.786 1.00 0.00 H new ATOM 479 N ILE A 36 -16.437 1.781 0.062 1.00 0.00 N ATOM 480 CA ILE A 36 -15.876 2.741 1.005 1.00 0.00 C ATOM 481 C ILE A 36 -14.552 3.301 0.496 1.00 0.00 C ATOM 482 O ILE A 36 -13.880 2.679 -0.326 1.00 0.00 O ATOM 483 CB ILE A 36 -15.653 2.105 2.390 1.00 0.00 C ATOM 484 CG1 ILE A 36 -15.491 3.192 3.454 1.00 0.00 C ATOM 485 CG2 ILE A 36 -14.434 1.194 2.364 1.00 0.00 C ATOM 486 CD1 ILE A 36 -15.463 2.654 4.868 1.00 0.00 C ATOM 0 H ILE A 36 -15.803 1.507 -0.689 1.00 0.00 H new ATOM 0 HA ILE A 36 -16.599 3.551 1.099 1.00 0.00 H new ATOM 0 HB ILE A 36 -16.526 1.503 2.643 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -14.568 3.740 3.264 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -16.310 3.905 3.361 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -14.289 0.752 3.350 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -14.587 0.403 1.630 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -13.552 1.774 2.093 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -15.346 3.480 5.569 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -16.396 2.130 5.077 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -14.627 1.963 4.978 1.00 0.00 H new ATOM 498 N GLN A 37 -14.184 4.478 0.992 1.00 0.00 N ATOM 499 CA GLN A 37 -12.939 5.121 0.588 1.00 0.00 C ATOM 500 C GLN A 37 -12.023 5.336 1.789 1.00 0.00 C ATOM 501 O GLN A 37 -12.325 6.129 2.678 1.00 0.00 O ATOM 502 CB GLN A 37 -13.229 6.459 -0.092 1.00 0.00 C ATOM 503 CG GLN A 37 -12.007 7.092 -0.737 1.00 0.00 C ATOM 504 CD GLN A 37 -11.249 7.997 0.214 1.00 0.00 C ATOM 505 OE1 GLN A 37 -11.813 8.516 1.178 1.00 0.00 O ATOM 506 NE2 GLN A 37 -9.962 8.192 -0.052 1.00 0.00 N ATOM 0 H GLN A 37 -14.730 5.005 1.674 1.00 0.00 H new ATOM 0 HA GLN A 37 -12.433 4.464 -0.119 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -13.996 6.312 -0.853 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -13.639 7.150 0.645 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -11.341 6.306 -1.094 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -12.318 7.667 -1.609 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -9.535 7.742 -0.862 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -9.401 8.791 0.553 1.00 0.00 H new ATOM 515 N GLY A 38 -10.901 4.621 1.806 1.00 0.00 N ATOM 516 CA GLY A 38 -9.958 4.748 2.902 1.00 0.00 C ATOM 517 C GLY A 38 -8.641 5.358 2.466 1.00 0.00 C ATOM 518 O GLY A 38 -8.583 6.088 1.476 1.00 0.00 O ATOM 0 H GLY A 38 -10.629 3.957 1.081 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.398 5.364 3.686 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.774 3.765 3.335 1.00 0.00 H new ATOM 522 N THR A 39 -7.578 5.059 3.207 1.00 0.00 N ATOM 523 CA THR A 39 -6.256 5.585 2.894 1.00 0.00 C ATOM 524 C THR A 39 -5.184 4.514 3.060 1.00 0.00 C ATOM 525 O THR A 39 -5.230 3.717 3.997 1.00 0.00 O ATOM 526 CB THR A 39 -5.904 6.790 3.787 1.00 0.00 C ATOM 527 OG1 THR A 39 -6.793 7.879 3.513 1.00 0.00 O ATOM 528 CG2 THR A 39 -4.467 7.232 3.557 1.00 0.00 C ATOM 0 H THR A 39 -7.608 4.455 4.028 1.00 0.00 H new ATOM 0 HA THR A 39 -6.284 5.909 1.854 1.00 0.00 H new ATOM 0 HB THR A 39 -6.012 6.486 4.828 1.00 0.00 H new ATOM 0 HG1 THR A 39 -6.564 8.640 4.086 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.241 8.084 4.198 1.00 0.00 H new ATOM 0 HG22 THR A 39 -3.791 6.410 3.794 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.337 7.519 2.513 1.00 0.00 H new ATOM 536 N TRP A 40 -4.221 4.500 2.146 1.00 0.00 N ATOM 537 CA TRP A 40 -3.137 3.526 2.193 1.00 0.00 C ATOM 538 C TRP A 40 -1.964 4.055 3.010 1.00 0.00 C ATOM 539 O TRP A 40 -1.770 5.266 3.123 1.00 0.00 O ATOM 540 CB TRP A 40 -2.673 3.180 0.777 1.00 0.00 C ATOM 541 CG TRP A 40 -3.546 2.169 0.096 1.00 0.00 C ATOM 542 CD1 TRP A 40 -4.577 2.423 -0.762 1.00 0.00 C ATOM 543 CD2 TRP A 40 -3.464 0.745 0.219 1.00 0.00 C ATOM 544 NE1 TRP A 40 -5.142 1.242 -1.180 1.00 0.00 N ATOM 545 CE2 TRP A 40 -4.477 0.198 -0.593 1.00 0.00 C ATOM 546 CE3 TRP A 40 -2.633 -0.121 0.934 1.00 0.00 C ATOM 547 CZ2 TRP A 40 -4.679 -1.175 -0.707 1.00 0.00 C ATOM 548 CZ3 TRP A 40 -2.835 -1.484 0.820 1.00 0.00 C ATOM 549 CH2 TRP A 40 -3.851 -2.000 0.004 1.00 0.00 C ATOM 0 H TRP A 40 -4.169 5.152 1.363 1.00 0.00 H new ATOM 0 HA TRP A 40 -3.514 2.624 2.675 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -2.648 4.090 0.178 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -1.653 2.799 0.820 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -4.901 3.407 -1.067 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -5.929 1.157 -1.823 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -1.847 0.267 1.565 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -5.462 -1.575 -1.335 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -2.199 -2.163 1.369 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -3.983 -3.070 -0.065 1.00 0.00 H new ATOM 560 N PHE A 41 -1.183 3.142 3.578 1.00 0.00 N ATOM 561 CA PHE A 41 -0.029 3.518 4.386 1.00 0.00 C ATOM 562 C PHE A 41 1.212 2.742 3.955 1.00 0.00 C ATOM 563 O PHE A 41 1.121 1.594 3.518 1.00 0.00 O ATOM 564 CB PHE A 41 -0.313 3.265 5.868 1.00 0.00 C ATOM 565 CG PHE A 41 -0.973 4.425 6.558 1.00 0.00 C ATOM 566 CD1 PHE A 41 -2.301 4.733 6.308 1.00 0.00 C ATOM 567 CD2 PHE A 41 -0.266 5.207 7.457 1.00 0.00 C ATOM 568 CE1 PHE A 41 -2.910 5.800 6.941 1.00 0.00 C ATOM 569 CE2 PHE A 41 -0.870 6.275 8.094 1.00 0.00 C ATOM 570 CZ PHE A 41 -2.194 6.571 7.836 1.00 0.00 C ATOM 0 H PHE A 41 -1.329 2.136 3.493 1.00 0.00 H new ATOM 0 HA PHE A 41 0.158 4.581 4.235 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -0.950 2.386 5.963 1.00 0.00 H new ATOM 0 HB3 PHE A 41 0.624 3.036 6.375 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -2.866 4.132 5.611 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.770 4.979 7.663 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -3.945 6.031 6.736 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -0.307 6.877 8.792 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.669 7.404 8.333 1.00 0.00 H new ATOM 580 N LEU A 42 2.372 3.377 4.081 1.00 0.00 N ATOM 581 CA LEU A 42 3.634 2.748 3.705 1.00 0.00 C ATOM 582 C LEU A 42 4.750 3.149 4.664 1.00 0.00 C ATOM 583 O LEU A 42 5.190 4.298 4.675 1.00 0.00 O ATOM 584 CB LEU A 42 4.012 3.135 2.274 1.00 0.00 C ATOM 585 CG LEU A 42 5.431 2.774 1.834 1.00 0.00 C ATOM 586 CD1 LEU A 42 5.601 1.265 1.766 1.00 0.00 C ATOM 587 CD2 LEU A 42 5.751 3.410 0.489 1.00 0.00 C ATOM 0 H LEU A 42 2.465 4.327 4.441 1.00 0.00 H new ATOM 0 HA LEU A 42 3.504 1.667 3.761 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.309 2.657 1.592 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.882 4.212 2.164 1.00 0.00 H new ATOM 0 HG LEU A 42 6.130 3.165 2.573 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.617 1.027 1.451 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.415 0.833 2.749 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.893 0.851 1.049 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.765 3.142 0.192 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.046 3.050 -0.261 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.671 4.494 0.571 1.00 0.00 H new ATOM 599 N ASN A 43 5.204 2.193 5.467 1.00 0.00 N ATOM 600 CA ASN A 43 6.271 2.445 6.430 1.00 0.00 C ATOM 601 C ASN A 43 5.826 3.457 7.481 1.00 0.00 C ATOM 602 O ASN A 43 6.603 4.312 7.904 1.00 0.00 O ATOM 603 CB ASN A 43 7.522 2.955 5.713 1.00 0.00 C ATOM 604 CG ASN A 43 8.450 1.830 5.298 1.00 0.00 C ATOM 605 OD1 ASN A 43 8.733 0.923 6.081 1.00 0.00 O ATOM 606 ND2 ASN A 43 8.929 1.884 4.060 1.00 0.00 N ATOM 0 H ASN A 43 4.850 1.236 5.471 1.00 0.00 H new ATOM 0 HA ASN A 43 6.505 1.506 6.931 1.00 0.00 H new ATOM 0 HB2 ASN A 43 7.226 3.522 4.831 1.00 0.00 H new ATOM 0 HB3 ASN A 43 8.058 3.642 6.368 1.00 0.00 H new ATOM 0 HD21 ASN A 43 9.558 1.155 3.724 1.00 0.00 H new ATOM 0 HD22 ASN A 43 8.667 2.655 3.445 1.00 0.00 H new ATOM 613 N GLY A 44 4.568 3.353 7.901 1.00 0.00 N ATOM 614 CA GLY A 44 4.041 4.264 8.900 1.00 0.00 C ATOM 615 C GLY A 44 3.816 5.659 8.351 1.00 0.00 C ATOM 616 O GLY A 44 3.864 6.639 9.093 1.00 0.00 O ATOM 0 H GLY A 44 3.905 2.654 7.567 1.00 0.00 H new ATOM 0 HA2 GLY A 44 3.099 3.872 9.284 1.00 0.00 H new ATOM 0 HA3 GLY A 44 4.732 4.315 9.741 1.00 0.00 H new ATOM 620 N GLU A 45 3.571 5.748 7.048 1.00 0.00 N ATOM 621 CA GLU A 45 3.341 7.034 6.401 1.00 0.00 C ATOM 622 C GLU A 45 2.007 7.039 5.660 1.00 0.00 C ATOM 623 O GLU A 45 1.575 6.015 5.131 1.00 0.00 O ATOM 624 CB GLU A 45 4.478 7.352 5.428 1.00 0.00 C ATOM 625 CG GLU A 45 4.026 8.102 4.186 1.00 0.00 C ATOM 626 CD GLU A 45 5.169 8.806 3.481 1.00 0.00 C ATOM 627 OE1 GLU A 45 5.649 9.831 4.009 1.00 0.00 O ATOM 628 OE2 GLU A 45 5.582 8.333 2.402 1.00 0.00 O ATOM 0 H GLU A 45 3.527 4.946 6.420 1.00 0.00 H new ATOM 0 HA GLU A 45 3.310 7.801 7.175 1.00 0.00 H new ATOM 0 HB2 GLU A 45 5.232 7.945 5.945 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.957 6.421 5.125 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.554 7.403 3.496 1.00 0.00 H new ATOM 0 HG3 GLU A 45 3.269 8.835 4.464 1.00 0.00 H new ATOM 635 N GLU A 46 1.359 8.200 5.627 1.00 0.00 N ATOM 636 CA GLU A 46 0.074 8.338 4.952 1.00 0.00 C ATOM 637 C GLU A 46 0.264 8.781 3.504 1.00 0.00 C ATOM 638 O GLU A 46 0.650 9.920 3.237 1.00 0.00 O ATOM 639 CB GLU A 46 -0.810 9.343 5.693 1.00 0.00 C ATOM 640 CG GLU A 46 -2.206 9.474 5.106 1.00 0.00 C ATOM 641 CD GLU A 46 -2.292 10.547 4.038 1.00 0.00 C ATOM 642 OE1 GLU A 46 -1.618 11.588 4.188 1.00 0.00 O ATOM 643 OE2 GLU A 46 -3.032 10.346 3.053 1.00 0.00 O ATOM 0 H GLU A 46 1.703 9.057 6.059 1.00 0.00 H new ATOM 0 HA GLU A 46 -0.415 7.364 4.954 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.891 9.042 6.738 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -0.326 10.320 5.679 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -2.508 8.517 4.680 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -2.912 9.704 5.904 1.00 0.00 H new ATOM 650 N LEU A 47 -0.009 7.873 2.574 1.00 0.00 N ATOM 651 CA LEU A 47 0.132 8.168 1.152 1.00 0.00 C ATOM 652 C LEU A 47 -1.080 8.935 0.632 1.00 0.00 C ATOM 653 O LEU A 47 -2.119 8.994 1.289 1.00 0.00 O ATOM 654 CB LEU A 47 0.311 6.874 0.357 1.00 0.00 C ATOM 655 CG LEU A 47 1.487 5.989 0.771 1.00 0.00 C ATOM 656 CD1 LEU A 47 1.205 4.533 0.433 1.00 0.00 C ATOM 657 CD2 LEU A 47 2.769 6.456 0.098 1.00 0.00 C ATOM 0 H LEU A 47 -0.329 6.926 2.779 1.00 0.00 H new ATOM 0 HA LEU A 47 1.017 8.792 1.022 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.605 6.289 0.442 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.429 7.131 -0.696 1.00 0.00 H new ATOM 0 HG LEU A 47 1.616 6.071 1.850 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.053 3.919 0.735 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.311 4.203 0.962 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.048 4.433 -0.641 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.595 5.815 0.404 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.651 6.404 -0.984 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.980 7.484 0.391 1.00 0.00 H new ATOM 669 N LYS A 48 -0.940 9.519 -0.553 1.00 0.00 N ATOM 670 CA LYS A 48 -2.024 10.279 -1.164 1.00 0.00 C ATOM 671 C LYS A 48 -2.503 9.607 -2.447 1.00 0.00 C ATOM 672 O LYS A 48 -1.727 8.957 -3.146 1.00 0.00 O ATOM 673 CB LYS A 48 -1.566 11.708 -1.465 1.00 0.00 C ATOM 674 CG LYS A 48 -1.208 12.506 -0.223 1.00 0.00 C ATOM 675 CD LYS A 48 -2.441 13.117 0.422 1.00 0.00 C ATOM 676 CE LYS A 48 -2.774 14.471 -0.184 1.00 0.00 C ATOM 677 NZ LYS A 48 -3.958 15.095 0.468 1.00 0.00 N ATOM 0 H LYS A 48 -0.086 9.481 -1.110 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.855 10.311 -0.459 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.700 11.671 -2.125 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.357 12.228 -2.005 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.704 11.858 0.494 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.505 13.296 -0.487 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -3.289 12.443 0.298 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -2.275 13.228 1.494 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.914 15.134 -0.086 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -2.966 14.354 -1.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.152 16.016 0.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.785 14.475 0.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.765 15.230 1.481 1.00 0.00 H new ATOM 691 N SER A 49 -3.787 9.770 -2.751 1.00 0.00 N ATOM 692 CA SER A 49 -4.370 9.177 -3.949 1.00 0.00 C ATOM 693 C SER A 49 -3.905 9.914 -5.201 1.00 0.00 C ATOM 694 O SER A 49 -3.510 9.295 -6.188 1.00 0.00 O ATOM 695 CB SER A 49 -5.898 9.204 -3.865 1.00 0.00 C ATOM 696 OG SER A 49 -6.386 10.535 -3.886 1.00 0.00 O ATOM 0 H SER A 49 -4.443 10.308 -2.184 1.00 0.00 H new ATOM 0 HA SER A 49 -4.035 8.142 -4.012 1.00 0.00 H new ATOM 0 HB2 SER A 49 -6.321 8.645 -4.699 1.00 0.00 H new ATOM 0 HB3 SER A 49 -6.224 8.708 -2.951 1.00 0.00 H new ATOM 0 HG SER A 49 -7.365 10.526 -3.833 1.00 0.00 H new ATOM 702 N ASN A 50 -3.956 11.241 -5.152 1.00 0.00 N ATOM 703 CA ASN A 50 -3.541 12.064 -6.283 1.00 0.00 C ATOM 704 C ASN A 50 -2.026 12.244 -6.297 1.00 0.00 C ATOM 705 O ASN A 50 -1.338 11.725 -7.175 1.00 0.00 O ATOM 706 CB ASN A 50 -4.228 13.430 -6.226 1.00 0.00 C ATOM 707 CG ASN A 50 -5.735 13.324 -6.351 1.00 0.00 C ATOM 708 OD1 ASN A 50 -6.465 13.525 -5.380 1.00 0.00 O ATOM 709 ND2 ASN A 50 -6.209 13.008 -7.551 1.00 0.00 N ATOM 0 H ASN A 50 -4.280 11.769 -4.342 1.00 0.00 H new ATOM 0 HA ASN A 50 -3.837 11.554 -7.200 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -3.978 13.921 -5.285 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -3.843 14.061 -7.027 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -7.215 12.923 -7.696 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -5.567 12.850 -8.328 1.00 0.00 H new ATOM 716 N GLU A 51 -1.514 12.983 -5.317 1.00 0.00 N ATOM 717 CA GLU A 51 -0.081 13.232 -5.218 1.00 0.00 C ATOM 718 C GLU A 51 0.351 13.348 -3.759 1.00 0.00 C ATOM 719 O GLU A 51 -0.307 13.989 -2.939 1.00 0.00 O ATOM 720 CB GLU A 51 0.291 14.509 -5.974 1.00 0.00 C ATOM 721 CG GLU A 51 0.093 14.406 -7.477 1.00 0.00 C ATOM 722 CD GLU A 51 0.944 13.319 -8.104 1.00 0.00 C ATOM 723 OE1 GLU A 51 2.164 13.293 -7.842 1.00 0.00 O ATOM 724 OE2 GLU A 51 0.388 12.492 -8.858 1.00 0.00 O ATOM 0 H GLU A 51 -2.070 13.419 -4.581 1.00 0.00 H new ATOM 0 HA GLU A 51 0.440 12.387 -5.668 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.309 15.335 -5.593 1.00 0.00 H new ATOM 0 HB3 GLU A 51 1.334 14.752 -5.769 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -0.958 14.207 -7.689 1.00 0.00 H new ATOM 0 HG3 GLU A 51 0.335 15.363 -7.938 1.00 0.00 H new ATOM 731 N PRO A 52 1.484 12.712 -3.426 1.00 0.00 N ATOM 732 CA PRO A 52 2.030 12.728 -2.065 1.00 0.00 C ATOM 733 C PRO A 52 2.569 14.099 -1.673 1.00 0.00 C ATOM 734 O PRO A 52 2.408 15.073 -2.408 1.00 0.00 O ATOM 735 CB PRO A 52 3.167 11.704 -2.128 1.00 0.00 C ATOM 736 CG PRO A 52 3.574 11.676 -3.560 1.00 0.00 C ATOM 737 CD PRO A 52 2.320 11.929 -4.351 1.00 0.00 C ATOM 0 HA PRO A 52 1.271 12.497 -1.318 1.00 0.00 H new ATOM 0 HB2 PRO A 52 3.998 11.996 -1.486 1.00 0.00 H new ATOM 0 HB3 PRO A 52 2.834 10.722 -1.792 1.00 0.00 H new ATOM 0 HG2 PRO A 52 4.326 12.437 -3.767 1.00 0.00 H new ATOM 0 HG3 PRO A 52 4.014 10.714 -3.822 1.00 0.00 H new ATOM 0 HD2 PRO A 52 2.528 12.480 -5.268 1.00 0.00 H new ATOM 0 HD3 PRO A 52 1.834 10.998 -4.642 1.00 0.00 H new ATOM 745 N GLU A 53 3.210 14.168 -0.510 1.00 0.00 N ATOM 746 CA GLU A 53 3.772 15.422 -0.021 1.00 0.00 C ATOM 747 C GLU A 53 4.591 15.193 1.246 1.00 0.00 C ATOM 748 O GLU A 53 4.618 14.090 1.790 1.00 0.00 O ATOM 749 CB GLU A 53 2.657 16.433 0.255 1.00 0.00 C ATOM 750 CG GLU A 53 1.737 16.029 1.395 1.00 0.00 C ATOM 751 CD GLU A 53 0.499 16.899 1.482 1.00 0.00 C ATOM 752 OE1 GLU A 53 0.546 17.930 2.186 1.00 0.00 O ATOM 753 OE2 GLU A 53 -0.518 16.550 0.846 1.00 0.00 O ATOM 0 H GLU A 53 3.353 13.371 0.110 1.00 0.00 H new ATOM 0 HA GLU A 53 4.431 15.821 -0.792 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.104 17.400 0.485 1.00 0.00 H new ATOM 0 HB3 GLU A 53 2.064 16.563 -0.650 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.437 14.989 1.264 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.284 16.087 2.336 1.00 0.00 H new ATOM 760 N GLY A 54 5.259 16.245 1.709 1.00 0.00 N ATOM 761 CA GLY A 54 6.070 16.139 2.908 1.00 0.00 C ATOM 762 C GLY A 54 7.550 16.027 2.598 1.00 0.00 C ATOM 763 O GLY A 54 8.085 16.802 1.806 1.00 0.00 O ATOM 0 H GLY A 54 5.253 17.168 1.276 1.00 0.00 H new ATOM 0 HA2 GLY A 54 5.899 17.012 3.537 1.00 0.00 H new ATOM 0 HA3 GLY A 54 5.755 15.267 3.480 1.00 0.00 H new ATOM 767 N GLN A 55 8.213 15.060 3.225 1.00 0.00 N ATOM 768 CA GLN A 55 9.640 14.852 3.013 1.00 0.00 C ATOM 769 C GLN A 55 9.891 14.076 1.724 1.00 0.00 C ATOM 770 O GLN A 55 10.920 14.253 1.072 1.00 0.00 O ATOM 771 CB GLN A 55 10.249 14.103 4.200 1.00 0.00 C ATOM 772 CG GLN A 55 9.355 13.003 4.749 1.00 0.00 C ATOM 773 CD GLN A 55 10.078 12.096 5.725 1.00 0.00 C ATOM 774 OE1 GLN A 55 9.666 11.949 6.876 1.00 0.00 O ATOM 775 NE2 GLN A 55 11.162 11.480 5.269 1.00 0.00 N ATOM 0 H GLN A 55 7.785 14.409 3.883 1.00 0.00 H new ATOM 0 HA GLN A 55 10.115 15.829 2.926 1.00 0.00 H new ATOM 0 HB2 GLN A 55 11.201 13.668 3.895 1.00 0.00 H new ATOM 0 HB3 GLN A 55 10.465 14.815 4.996 1.00 0.00 H new ATOM 0 HG2 GLN A 55 8.495 13.453 5.246 1.00 0.00 H new ATOM 0 HG3 GLN A 55 8.970 12.407 3.922 1.00 0.00 H new ATOM 0 HE21 GLN A 55 11.468 11.631 4.308 1.00 0.00 H new ATOM 0 HE22 GLN A 55 11.689 10.856 5.880 1.00 0.00 H new ATOM 784 N VAL A 56 8.945 13.216 1.362 1.00 0.00 N ATOM 785 CA VAL A 56 9.063 12.414 0.151 1.00 0.00 C ATOM 786 C VAL A 56 8.594 13.194 -1.073 1.00 0.00 C ATOM 787 O VAL A 56 7.689 14.022 -0.983 1.00 0.00 O ATOM 788 CB VAL A 56 8.249 11.111 0.258 1.00 0.00 C ATOM 789 CG1 VAL A 56 8.072 10.477 -1.113 1.00 0.00 C ATOM 790 CG2 VAL A 56 8.920 10.142 1.220 1.00 0.00 C ATOM 0 H VAL A 56 8.087 13.057 1.891 1.00 0.00 H new ATOM 0 HA VAL A 56 10.118 12.166 0.038 1.00 0.00 H new ATOM 0 HB VAL A 56 7.261 11.352 0.650 1.00 0.00 H new ATOM 0 HG11 VAL A 56 7.494 9.558 -1.017 1.00 0.00 H new ATOM 0 HG12 VAL A 56 7.545 11.170 -1.769 1.00 0.00 H new ATOM 0 HG13 VAL A 56 9.050 10.249 -1.537 1.00 0.00 H new ATOM 0 HG21 VAL A 56 8.332 9.227 1.284 1.00 0.00 H new ATOM 0 HG22 VAL A 56 9.921 9.906 0.859 1.00 0.00 H new ATOM 0 HG23 VAL A 56 8.989 10.599 2.207 1.00 0.00 H new ATOM 800 N GLU A 57 9.216 12.921 -2.215 1.00 0.00 N ATOM 801 CA GLU A 57 8.862 13.598 -3.457 1.00 0.00 C ATOM 802 C GLU A 57 7.977 12.711 -4.328 1.00 0.00 C ATOM 803 O GLU A 57 8.033 11.482 -4.265 1.00 0.00 O ATOM 804 CB GLU A 57 10.124 13.991 -4.228 1.00 0.00 C ATOM 805 CG GLU A 57 11.021 12.813 -4.569 1.00 0.00 C ATOM 806 CD GLU A 57 11.930 12.421 -3.421 1.00 0.00 C ATOM 807 OE1 GLU A 57 12.405 13.326 -2.703 1.00 0.00 O ATOM 808 OE2 GLU A 57 12.168 11.208 -3.240 1.00 0.00 O ATOM 0 H GLU A 57 9.967 12.237 -2.306 1.00 0.00 H new ATOM 0 HA GLU A 57 8.305 14.499 -3.202 1.00 0.00 H new ATOM 0 HB2 GLU A 57 9.834 14.495 -5.150 1.00 0.00 H new ATOM 0 HB3 GLU A 57 10.692 14.710 -3.637 1.00 0.00 H new ATOM 0 HG2 GLU A 57 10.403 11.959 -4.846 1.00 0.00 H new ATOM 0 HG3 GLU A 57 11.628 13.063 -5.439 1.00 0.00 H new ATOM 815 N PRO A 58 7.139 13.346 -5.160 1.00 0.00 N ATOM 816 CA PRO A 58 6.226 12.634 -6.060 1.00 0.00 C ATOM 817 C PRO A 58 6.963 11.921 -7.188 1.00 0.00 C ATOM 818 O PRO A 58 6.344 11.309 -8.058 1.00 0.00 O ATOM 819 CB PRO A 58 5.340 13.749 -6.620 1.00 0.00 C ATOM 820 CG PRO A 58 6.171 14.981 -6.518 1.00 0.00 C ATOM 821 CD PRO A 58 7.019 14.808 -5.288 1.00 0.00 C ATOM 0 HA PRO A 58 5.672 11.850 -5.543 1.00 0.00 H new ATOM 0 HB2 PRO A 58 5.056 13.548 -7.653 1.00 0.00 H new ATOM 0 HB3 PRO A 58 4.417 13.846 -6.048 1.00 0.00 H new ATOM 0 HG2 PRO A 58 6.792 15.108 -7.405 1.00 0.00 H new ATOM 0 HG3 PRO A 58 5.544 15.869 -6.438 1.00 0.00 H new ATOM 0 HD2 PRO A 58 7.994 15.283 -5.402 1.00 0.00 H new ATOM 0 HD3 PRO A 58 6.549 15.251 -4.410 1.00 0.00 H new ATOM 829 N GLY A 59 8.290 12.004 -7.168 1.00 0.00 N ATOM 830 CA GLY A 59 9.089 11.361 -8.195 1.00 0.00 C ATOM 831 C GLY A 59 10.224 10.539 -7.617 1.00 0.00 C ATOM 832 O GLY A 59 11.385 10.734 -7.974 1.00 0.00 O ATOM 0 H GLY A 59 8.826 12.505 -6.459 1.00 0.00 H new ATOM 0 HA2 GLY A 59 8.449 10.717 -8.799 1.00 0.00 H new ATOM 0 HA3 GLY A 59 9.497 12.120 -8.862 1.00 0.00 H new ATOM 836 N ALA A 60 9.888 9.618 -6.719 1.00 0.00 N ATOM 837 CA ALA A 60 10.888 8.764 -6.091 1.00 0.00 C ATOM 838 C ALA A 60 10.637 7.295 -6.415 1.00 0.00 C ATOM 839 O ALA A 60 11.575 6.528 -6.635 1.00 0.00 O ATOM 840 CB ALA A 60 10.895 8.980 -4.585 1.00 0.00 C ATOM 0 H ALA A 60 8.931 9.445 -6.411 1.00 0.00 H new ATOM 0 HA ALA A 60 11.865 9.036 -6.491 1.00 0.00 H new ATOM 0 HB1 ALA A 60 11.647 8.336 -4.129 1.00 0.00 H new ATOM 0 HB2 ALA A 60 11.130 10.022 -4.368 1.00 0.00 H new ATOM 0 HB3 ALA A 60 9.913 8.737 -4.178 1.00 0.00 H new ATOM 846 N LEU A 61 9.366 6.909 -6.443 1.00 0.00 N ATOM 847 CA LEU A 61 8.991 5.531 -6.740 1.00 0.00 C ATOM 848 C LEU A 61 7.674 5.478 -7.506 1.00 0.00 C ATOM 849 O LEU A 61 6.920 6.451 -7.532 1.00 0.00 O ATOM 850 CB LEU A 61 8.875 4.723 -5.446 1.00 0.00 C ATOM 851 CG LEU A 61 7.538 4.822 -4.711 1.00 0.00 C ATOM 852 CD1 LEU A 61 7.309 3.589 -3.852 1.00 0.00 C ATOM 853 CD2 LEU A 61 7.489 6.083 -3.861 1.00 0.00 C ATOM 0 H LEU A 61 8.578 7.531 -6.264 1.00 0.00 H new ATOM 0 HA LEU A 61 9.771 5.095 -7.365 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.063 3.675 -5.678 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.665 5.046 -4.768 1.00 0.00 H new ATOM 0 HG LEU A 61 6.741 4.876 -5.452 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.353 3.677 -3.336 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.300 2.701 -4.485 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.110 3.503 -3.118 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.530 6.137 -3.345 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.295 6.059 -3.128 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.607 6.958 -4.501 1.00 0.00 H new ATOM 865 N ARG A 62 7.402 4.335 -8.127 1.00 0.00 N ATOM 866 CA ARG A 62 6.175 4.155 -8.893 1.00 0.00 C ATOM 867 C ARG A 62 5.235 3.178 -8.192 1.00 0.00 C ATOM 868 O ARG A 62 5.632 2.071 -7.828 1.00 0.00 O ATOM 869 CB ARG A 62 6.496 3.648 -10.301 1.00 0.00 C ATOM 870 CG ARG A 62 7.138 4.698 -11.193 1.00 0.00 C ATOM 871 CD ARG A 62 6.091 5.552 -11.891 1.00 0.00 C ATOM 872 NE ARG A 62 5.504 4.869 -13.040 1.00 0.00 N ATOM 873 CZ ARG A 62 4.728 5.470 -13.934 1.00 0.00 C ATOM 874 NH1 ARG A 62 4.446 6.760 -13.813 1.00 0.00 N ATOM 875 NH2 ARG A 62 4.231 4.781 -14.954 1.00 0.00 N ATOM 0 H ARG A 62 8.015 3.520 -8.115 1.00 0.00 H new ATOM 0 HA ARG A 62 5.678 5.122 -8.967 1.00 0.00 H new ATOM 0 HB2 ARG A 62 7.163 2.790 -10.226 1.00 0.00 H new ATOM 0 HB3 ARG A 62 5.577 3.297 -10.770 1.00 0.00 H new ATOM 0 HG2 ARG A 62 7.790 5.336 -10.595 1.00 0.00 H new ATOM 0 HG3 ARG A 62 7.766 4.209 -11.938 1.00 0.00 H new ATOM 0 HD2 ARG A 62 5.304 5.811 -11.183 1.00 0.00 H new ATOM 0 HD3 ARG A 62 6.546 6.487 -12.219 1.00 0.00 H new ATOM 0 HE ARG A 62 5.701 3.876 -13.163 1.00 0.00 H new ATOM 0 HH11 ARG A 62 4.826 7.294 -13.031 1.00 0.00 H new ATOM 0 HH12 ARG A 62 3.849 7.218 -14.502 1.00 0.00 H new ATOM 0 HH21 ARG A 62 4.445 3.789 -15.052 1.00 0.00 H new ATOM 0 HH22 ARG A 62 3.635 5.244 -15.640 1.00 0.00 H new ATOM 889 N TYR A 63 3.988 3.596 -8.007 1.00 0.00 N ATOM 890 CA TYR A 63 2.992 2.759 -7.347 1.00 0.00 C ATOM 891 C TYR A 63 1.644 2.855 -8.056 1.00 0.00 C ATOM 892 O TYR A 63 1.383 3.808 -8.791 1.00 0.00 O ATOM 893 CB TYR A 63 2.840 3.171 -5.881 1.00 0.00 C ATOM 894 CG TYR A 63 2.604 4.652 -5.689 1.00 0.00 C ATOM 895 CD1 TYR A 63 3.623 5.571 -5.907 1.00 0.00 C ATOM 896 CD2 TYR A 63 1.363 5.131 -5.290 1.00 0.00 C ATOM 897 CE1 TYR A 63 3.412 6.926 -5.732 1.00 0.00 C ATOM 898 CE2 TYR A 63 1.143 6.484 -5.114 1.00 0.00 C ATOM 899 CZ TYR A 63 2.170 7.377 -5.336 1.00 0.00 C ATOM 900 OH TYR A 63 1.955 8.724 -5.160 1.00 0.00 O ATOM 0 H TYR A 63 3.642 4.508 -8.304 1.00 0.00 H new ATOM 0 HA TYR A 63 3.334 1.725 -7.394 1.00 0.00 H new ATOM 0 HB2 TYR A 63 2.009 2.619 -5.442 1.00 0.00 H new ATOM 0 HB3 TYR A 63 3.738 2.881 -5.336 1.00 0.00 H new ATOM 0 HD1 TYR A 63 4.596 5.221 -6.218 1.00 0.00 H new ATOM 0 HD2 TYR A 63 0.556 4.435 -5.114 1.00 0.00 H new ATOM 0 HE1 TYR A 63 4.215 7.627 -5.904 1.00 0.00 H new ATOM 0 HE2 TYR A 63 0.172 6.840 -4.804 1.00 0.00 H new ATOM 0 HH TYR A 63 1.027 8.874 -4.881 1.00 0.00 H new ATOM 910 N ARG A 64 0.792 1.861 -7.828 1.00 0.00 N ATOM 911 CA ARG A 64 -0.529 1.832 -8.445 1.00 0.00 C ATOM 912 C ARG A 64 -1.602 1.489 -7.415 1.00 0.00 C ATOM 913 O ARG A 64 -1.435 0.569 -6.613 1.00 0.00 O ATOM 914 CB ARG A 64 -0.560 0.815 -9.587 1.00 0.00 C ATOM 915 CG ARG A 64 -1.692 1.043 -10.575 1.00 0.00 C ATOM 916 CD ARG A 64 -2.948 0.290 -10.167 1.00 0.00 C ATOM 917 NE ARG A 64 -4.006 0.409 -11.167 1.00 0.00 N ATOM 918 CZ ARG A 64 -4.792 1.473 -11.282 1.00 0.00 C ATOM 919 NH1 ARG A 64 -4.640 2.506 -10.464 1.00 0.00 N ATOM 920 NH2 ARG A 64 -5.733 1.507 -12.217 1.00 0.00 N ATOM 0 H ARG A 64 0.992 1.066 -7.221 1.00 0.00 H new ATOM 0 HA ARG A 64 -0.737 2.824 -8.846 1.00 0.00 H new ATOM 0 HB2 ARG A 64 0.390 0.852 -10.121 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -0.651 -0.187 -9.168 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -1.911 2.109 -10.640 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -1.380 0.721 -11.568 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -2.707 -0.762 -10.017 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -3.307 0.674 -9.212 1.00 0.00 H new ATOM 0 HE ARG A 64 -4.149 -0.368 -11.812 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -3.918 2.484 -9.744 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -5.245 3.322 -10.555 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -5.853 0.715 -12.849 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -6.336 2.325 -12.304 1.00 0.00 H new ATOM 934 N ILE A 65 -2.701 2.234 -7.443 1.00 0.00 N ATOM 935 CA ILE A 65 -3.801 2.008 -6.513 1.00 0.00 C ATOM 936 C ILE A 65 -5.117 1.806 -7.256 1.00 0.00 C ATOM 937 O ILE A 65 -5.533 2.657 -8.042 1.00 0.00 O ATOM 938 CB ILE A 65 -3.955 3.182 -5.528 1.00 0.00 C ATOM 939 CG1 ILE A 65 -2.728 3.278 -4.619 1.00 0.00 C ATOM 940 CG2 ILE A 65 -5.222 3.017 -4.702 1.00 0.00 C ATOM 941 CD1 ILE A 65 -2.697 4.534 -3.776 1.00 0.00 C ATOM 0 H ILE A 65 -2.854 3.000 -8.099 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.561 1.104 -5.954 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.034 4.108 -6.098 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -2.704 2.409 -3.962 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -1.828 3.239 -5.232 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.317 3.854 -4.011 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -6.087 2.993 -5.364 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.170 2.085 -4.139 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -1.800 4.535 -3.157 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.690 5.409 -4.426 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -3.579 4.565 -3.137 1.00 0.00 H new ATOM 953 N GLU A 66 -5.768 0.676 -7.000 1.00 0.00 N ATOM 954 CA GLU A 66 -7.038 0.364 -7.645 1.00 0.00 C ATOM 955 C GLU A 66 -8.175 0.346 -6.627 1.00 0.00 C ATOM 956 O GLU A 66 -8.295 -0.585 -5.832 1.00 0.00 O ATOM 957 CB GLU A 66 -6.955 -0.988 -8.356 1.00 0.00 C ATOM 958 CG GLU A 66 -6.068 -0.974 -9.589 1.00 0.00 C ATOM 959 CD GLU A 66 -6.813 -0.550 -10.840 1.00 0.00 C ATOM 960 OE1 GLU A 66 -7.818 0.180 -10.713 1.00 0.00 O ATOM 961 OE2 GLU A 66 -6.391 -0.949 -11.946 1.00 0.00 O ATOM 0 H GLU A 66 -5.437 -0.038 -6.351 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.244 1.142 -8.380 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.578 -1.734 -7.656 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -7.959 -1.299 -8.645 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -5.231 -0.296 -9.422 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -5.648 -1.968 -9.741 1.00 0.00 H new ATOM 968 N GLN A 67 -9.005 1.384 -6.659 1.00 0.00 N ATOM 969 CA GLN A 67 -10.131 1.489 -5.739 1.00 0.00 C ATOM 970 C GLN A 67 -11.447 1.194 -6.452 1.00 0.00 C ATOM 971 O GLN A 67 -11.831 1.900 -7.385 1.00 0.00 O ATOM 972 CB GLN A 67 -10.178 2.884 -5.113 1.00 0.00 C ATOM 973 CG GLN A 67 -11.425 3.136 -4.281 1.00 0.00 C ATOM 974 CD GLN A 67 -11.879 1.906 -3.521 1.00 0.00 C ATOM 975 OE1 GLN A 67 -11.060 1.108 -3.062 1.00 0.00 O ATOM 976 NE2 GLN A 67 -13.190 1.744 -3.384 1.00 0.00 N ATOM 0 H GLN A 67 -8.919 2.163 -7.311 1.00 0.00 H new ATOM 0 HA GLN A 67 -9.993 0.749 -4.950 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -9.298 3.021 -4.484 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -10.123 3.631 -5.905 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -11.229 3.943 -3.575 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -12.230 3.473 -4.934 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -13.833 2.430 -3.780 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -13.554 0.934 -2.883 1.00 0.00 H new ATOM 985 N LYS A 68 -12.134 0.147 -6.008 1.00 0.00 N ATOM 986 CA LYS A 68 -13.407 -0.241 -6.603 1.00 0.00 C ATOM 987 C LYS A 68 -14.353 -0.800 -5.546 1.00 0.00 C ATOM 988 O LYS A 68 -14.187 -1.928 -5.083 1.00 0.00 O ATOM 989 CB LYS A 68 -13.183 -1.281 -7.703 1.00 0.00 C ATOM 990 CG LYS A 68 -12.953 -0.674 -9.076 1.00 0.00 C ATOM 991 CD LYS A 68 -14.220 -0.038 -9.624 1.00 0.00 C ATOM 992 CE LYS A 68 -13.956 0.690 -10.934 1.00 0.00 C ATOM 993 NZ LYS A 68 -13.541 -0.247 -12.014 1.00 0.00 N ATOM 0 H LYS A 68 -11.830 -0.448 -5.238 1.00 0.00 H new ATOM 0 HA LYS A 68 -13.862 0.648 -7.039 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -12.324 -1.898 -7.439 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -14.048 -1.942 -7.748 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -12.165 0.077 -9.016 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -12.606 -1.446 -9.763 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -14.977 -0.807 -9.780 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -14.623 0.662 -8.892 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -14.856 1.223 -11.241 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -13.178 1.438 -10.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -13.453 0.273 -12.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -12.625 -0.674 -11.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -14.255 -0.996 -12.118 1.00 0.00 H new ATOM 1007 N GLY A 69 -15.349 -0.003 -5.168 1.00 0.00 N ATOM 1008 CA GLY A 69 -16.308 -0.437 -4.169 1.00 0.00 C ATOM 1009 C GLY A 69 -15.645 -1.107 -2.981 1.00 0.00 C ATOM 1010 O GLY A 69 -15.011 -0.445 -2.159 1.00 0.00 O ATOM 0 H GLY A 69 -15.508 0.935 -5.536 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -16.882 0.423 -3.824 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -17.015 -1.130 -4.625 1.00 0.00 H new ATOM 1014 N LEU A 70 -15.793 -2.424 -2.889 1.00 0.00 N ATOM 1015 CA LEU A 70 -15.205 -3.185 -1.792 1.00 0.00 C ATOM 1016 C LEU A 70 -14.000 -3.988 -2.272 1.00 0.00 C ATOM 1017 O LEU A 70 -13.843 -5.157 -1.920 1.00 0.00 O ATOM 1018 CB LEU A 70 -16.247 -4.123 -1.180 1.00 0.00 C ATOM 1019 CG LEU A 70 -17.333 -4.630 -2.129 1.00 0.00 C ATOM 1020 CD1 LEU A 70 -17.803 -6.015 -1.711 1.00 0.00 C ATOM 1021 CD2 LEU A 70 -18.503 -3.658 -2.170 1.00 0.00 C ATOM 0 H LEU A 70 -16.315 -2.987 -3.561 1.00 0.00 H new ATOM 0 HA LEU A 70 -14.869 -2.480 -1.032 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -15.729 -4.985 -0.760 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -16.730 -3.606 -0.351 1.00 0.00 H new ATOM 0 HG LEU A 70 -16.909 -4.699 -3.131 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -18.576 -6.360 -2.398 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -16.961 -6.707 -1.735 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -18.209 -5.972 -0.700 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -19.266 -4.036 -2.851 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -18.926 -3.556 -1.171 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -18.156 -2.685 -2.518 1.00 0.00 H new ATOM 1033 N GLN A 71 -13.152 -3.352 -3.073 1.00 0.00 N ATOM 1034 CA GLN A 71 -11.960 -4.008 -3.599 1.00 0.00 C ATOM 1035 C GLN A 71 -10.800 -3.024 -3.705 1.00 0.00 C ATOM 1036 O GLN A 71 -10.775 -2.171 -4.593 1.00 0.00 O ATOM 1037 CB GLN A 71 -12.253 -4.621 -4.969 1.00 0.00 C ATOM 1038 CG GLN A 71 -11.353 -5.797 -5.314 1.00 0.00 C ATOM 1039 CD GLN A 71 -11.827 -6.555 -6.538 1.00 0.00 C ATOM 1040 OE1 GLN A 71 -11.328 -6.345 -7.645 1.00 0.00 O ATOM 1041 NE2 GLN A 71 -12.795 -7.444 -6.347 1.00 0.00 N ATOM 0 H GLN A 71 -13.268 -2.384 -3.372 1.00 0.00 H new ATOM 0 HA GLN A 71 -11.676 -4.802 -2.908 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -13.292 -4.949 -4.996 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -12.141 -3.852 -5.733 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -10.339 -5.436 -5.485 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -11.309 -6.478 -4.464 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -13.180 -7.586 -5.413 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -13.154 -7.985 -7.134 1.00 0.00 H new ATOM 1050 N HIS A 72 -9.840 -3.149 -2.795 1.00 0.00 N ATOM 1051 CA HIS A 72 -8.675 -2.270 -2.787 1.00 0.00 C ATOM 1052 C HIS A 72 -7.421 -3.027 -3.213 1.00 0.00 C ATOM 1053 O HIS A 72 -7.359 -4.252 -3.112 1.00 0.00 O ATOM 1054 CB HIS A 72 -8.474 -1.668 -1.396 1.00 0.00 C ATOM 1055 CG HIS A 72 -9.624 -0.827 -0.935 1.00 0.00 C ATOM 1056 ND1 HIS A 72 -10.917 -1.149 -0.695 1.00 0.00 N flip ATOM 1057 CD2 HIS A 72 -9.511 0.521 -0.668 1.00 0.00 C flip ATOM 1058 CE1 HIS A 72 -11.554 -0.002 -0.291 1.00 0.00 C flip ATOM 1059 NE2 HIS A 72 -10.684 0.991 -0.283 1.00 0.00 N flip ATOM 0 H HIS A 72 -9.845 -3.850 -2.054 1.00 0.00 H new ATOM 0 HA HIS A 72 -8.852 -1.465 -3.501 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -8.314 -2.474 -0.680 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -7.569 -1.061 -1.399 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -8.605 1.102 -0.759 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -12.597 0.075 -0.023 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -10.884 1.957 -0.024 1.00 0.00 H new ATOM 1067 N ARG A 73 -6.424 -2.289 -3.691 1.00 0.00 N ATOM 1068 CA ARG A 73 -5.172 -2.890 -4.134 1.00 0.00 C ATOM 1069 C ARG A 73 -4.075 -1.837 -4.252 1.00 0.00 C ATOM 1070 O ARG A 73 -4.341 -0.681 -4.583 1.00 0.00 O ATOM 1071 CB ARG A 73 -5.368 -3.591 -5.480 1.00 0.00 C ATOM 1072 CG ARG A 73 -4.194 -4.468 -5.886 1.00 0.00 C ATOM 1073 CD ARG A 73 -4.598 -5.485 -6.942 1.00 0.00 C ATOM 1074 NE ARG A 73 -5.533 -6.477 -6.417 1.00 0.00 N ATOM 1075 CZ ARG A 73 -5.803 -7.627 -7.025 1.00 0.00 C ATOM 1076 NH1 ARG A 73 -5.212 -7.928 -8.172 1.00 0.00 N ATOM 1077 NH2 ARG A 73 -6.666 -8.478 -6.484 1.00 0.00 N ATOM 0 H ARG A 73 -6.459 -1.274 -3.781 1.00 0.00 H new ATOM 0 HA ARG A 73 -4.867 -3.625 -3.389 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -6.269 -4.203 -5.434 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -5.533 -2.839 -6.251 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -3.388 -3.843 -6.270 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -3.805 -4.987 -5.010 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -5.054 -4.969 -7.787 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -3.708 -5.989 -7.319 1.00 0.00 H new ATOM 0 HE ARG A 73 -6.004 -6.276 -5.535 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -4.548 -7.276 -8.590 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -5.421 -8.812 -8.637 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -7.122 -8.249 -5.601 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -6.873 -9.361 -6.951 1.00 0.00 H new ATOM 1091 N LEU A 74 -2.840 -2.244 -3.977 1.00 0.00 N ATOM 1092 CA LEU A 74 -1.701 -1.335 -4.051 1.00 0.00 C ATOM 1093 C LEU A 74 -0.429 -2.087 -4.429 1.00 0.00 C ATOM 1094 O LEU A 74 0.096 -2.873 -3.640 1.00 0.00 O ATOM 1095 CB LEU A 74 -1.506 -0.620 -2.713 1.00 0.00 C ATOM 1096 CG LEU A 74 -0.211 0.178 -2.561 1.00 0.00 C ATOM 1097 CD1 LEU A 74 -0.356 1.556 -3.187 1.00 0.00 C ATOM 1098 CD2 LEU A 74 0.174 0.295 -1.093 1.00 0.00 C ATOM 0 H LEU A 74 -2.602 -3.197 -3.701 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.907 -0.595 -4.824 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.346 0.057 -2.560 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -1.546 -1.364 -1.917 1.00 0.00 H new ATOM 0 HG LEU A 74 0.584 -0.354 -3.084 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.576 2.109 -3.069 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.584 1.452 -4.248 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.164 2.097 -2.694 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.098 0.866 -1.004 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.621 0.804 -0.548 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.321 -0.701 -0.675 1.00 0.00 H new ATOM 1110 N ILE A 75 0.062 -1.838 -5.638 1.00 0.00 N ATOM 1111 CA ILE A 75 1.275 -2.489 -6.119 1.00 0.00 C ATOM 1112 C ILE A 75 2.448 -1.515 -6.146 1.00 0.00 C ATOM 1113 O ILE A 75 2.332 -0.401 -6.658 1.00 0.00 O ATOM 1114 CB ILE A 75 1.077 -3.077 -7.528 1.00 0.00 C ATOM 1115 CG1 ILE A 75 -0.050 -4.111 -7.520 1.00 0.00 C ATOM 1116 CG2 ILE A 75 2.372 -3.701 -8.028 1.00 0.00 C ATOM 1117 CD1 ILE A 75 -1.414 -3.520 -7.803 1.00 0.00 C ATOM 0 H ILE A 75 -0.361 -1.190 -6.303 1.00 0.00 H new ATOM 0 HA ILE A 75 1.495 -3.299 -5.424 1.00 0.00 H new ATOM 0 HB ILE A 75 0.799 -2.270 -8.206 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.166 -4.878 -8.264 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.072 -4.606 -6.549 1.00 0.00 H new ATOM 0 HG21 ILE A 75 2.216 -4.112 -9.025 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.151 -2.940 -8.067 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.677 -4.498 -7.350 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.164 -4.310 -7.782 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -1.651 -2.773 -7.045 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.410 -3.050 -8.786 1.00 0.00 H new ATOM 1129 N LEU A 76 3.577 -1.943 -5.593 1.00 0.00 N ATOM 1130 CA LEU A 76 4.774 -1.109 -5.555 1.00 0.00 C ATOM 1131 C LEU A 76 5.862 -1.677 -6.460 1.00 0.00 C ATOM 1132 O LEU A 76 6.592 -2.591 -6.074 1.00 0.00 O ATOM 1133 CB LEU A 76 5.295 -0.996 -4.121 1.00 0.00 C ATOM 1134 CG LEU A 76 4.271 -0.577 -3.066 1.00 0.00 C ATOM 1135 CD1 LEU A 76 4.706 -1.043 -1.685 1.00 0.00 C ATOM 1136 CD2 LEU A 76 4.074 0.932 -3.084 1.00 0.00 C ATOM 0 H LEU A 76 3.689 -2.862 -5.165 1.00 0.00 H new ATOM 0 HA LEU A 76 4.507 -0.116 -5.918 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.713 -1.960 -3.830 1.00 0.00 H new ATOM 0 HB3 LEU A 76 6.114 -0.277 -4.109 1.00 0.00 H new ATOM 0 HG LEU A 76 3.319 -1.051 -3.303 1.00 0.00 H new ATOM 0 HD11 LEU A 76 3.965 -0.736 -0.947 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.795 -2.129 -1.679 1.00 0.00 H new ATOM 0 HD13 LEU A 76 5.670 -0.598 -1.438 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.342 1.212 -2.327 1.00 0.00 H new ATOM 0 HD22 LEU A 76 5.023 1.425 -2.872 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.716 1.241 -4.066 1.00 0.00 H new ATOM 1148 N HIS A 77 5.967 -1.129 -7.667 1.00 0.00 N ATOM 1149 CA HIS A 77 6.968 -1.580 -8.627 1.00 0.00 C ATOM 1150 C HIS A 77 8.330 -0.962 -8.321 1.00 0.00 C ATOM 1151 O HIS A 77 8.444 0.247 -8.126 1.00 0.00 O ATOM 1152 CB HIS A 77 6.540 -1.220 -10.050 1.00 0.00 C ATOM 1153 CG HIS A 77 5.054 -1.185 -10.237 1.00 0.00 C ATOM 1154 ND1 HIS A 77 4.325 -2.273 -10.670 1.00 0.00 N ATOM 1155 CD2 HIS A 77 4.161 -0.187 -10.046 1.00 0.00 C ATOM 1156 CE1 HIS A 77 3.047 -1.944 -10.739 1.00 0.00 C ATOM 1157 NE2 HIS A 77 2.921 -0.684 -10.365 1.00 0.00 N ATOM 0 H HIS A 77 5.371 -0.372 -8.003 1.00 0.00 H new ATOM 0 HA HIS A 77 7.053 -2.664 -8.545 1.00 0.00 H new ATOM 0 HB2 HIS A 77 6.954 -0.246 -10.310 1.00 0.00 H new ATOM 0 HB3 HIS A 77 6.968 -1.943 -10.744 1.00 0.00 H new ATOM 0 HD1 HIS A 77 4.712 -3.188 -10.901 1.00 0.00 H new ATOM 0 HD2 HIS A 77 4.382 0.814 -9.706 1.00 0.00 H new ATOM 0 HE1 HIS A 77 2.243 -2.595 -11.049 1.00 0.00 H new ATOM 1166 N ALA A 78 9.359 -1.802 -8.281 1.00 0.00 N ATOM 1167 CA ALA A 78 10.712 -1.339 -8.001 1.00 0.00 C ATOM 1168 C ALA A 78 10.886 -1.014 -6.521 1.00 0.00 C ATOM 1169 O ALA A 78 11.332 0.076 -6.162 1.00 0.00 O ATOM 1170 CB ALA A 78 11.040 -0.121 -8.852 1.00 0.00 C ATOM 0 H ALA A 78 9.281 -2.807 -8.439 1.00 0.00 H new ATOM 0 HA ALA A 78 11.404 -2.143 -8.254 1.00 0.00 H new ATOM 0 HB1 ALA A 78 12.054 0.214 -8.632 1.00 0.00 H new ATOM 0 HB2 ALA A 78 10.965 -0.384 -9.907 1.00 0.00 H new ATOM 0 HB3 ALA A 78 10.336 0.680 -8.627 1.00 0.00 H new ATOM 1176 N VAL A 79 10.530 -1.967 -5.665 1.00 0.00 N ATOM 1177 CA VAL A 79 10.647 -1.782 -4.224 1.00 0.00 C ATOM 1178 C VAL A 79 12.108 -1.765 -3.788 1.00 0.00 C ATOM 1179 O VAL A 79 12.871 -2.681 -4.096 1.00 0.00 O ATOM 1180 CB VAL A 79 9.907 -2.892 -3.454 1.00 0.00 C ATOM 1181 CG1 VAL A 79 8.413 -2.830 -3.731 1.00 0.00 C ATOM 1182 CG2 VAL A 79 10.468 -4.258 -3.819 1.00 0.00 C ATOM 0 H VAL A 79 10.158 -2.875 -5.945 1.00 0.00 H new ATOM 0 HA VAL A 79 10.190 -0.820 -3.991 1.00 0.00 H new ATOM 0 HB VAL A 79 10.061 -2.734 -2.387 1.00 0.00 H new ATOM 0 HG11 VAL A 79 7.907 -3.622 -3.178 1.00 0.00 H new ATOM 0 HG12 VAL A 79 8.024 -1.862 -3.415 1.00 0.00 H new ATOM 0 HG13 VAL A 79 8.235 -2.962 -4.798 1.00 0.00 H new ATOM 0 HG21 VAL A 79 9.934 -5.030 -3.266 1.00 0.00 H new ATOM 0 HG22 VAL A 79 10.346 -4.427 -4.889 1.00 0.00 H new ATOM 0 HG23 VAL A 79 11.527 -4.296 -3.564 1.00 0.00 H new ATOM 1192 N LYS A 80 12.493 -0.715 -3.070 1.00 0.00 N ATOM 1193 CA LYS A 80 13.863 -0.577 -2.589 1.00 0.00 C ATOM 1194 C LYS A 80 14.087 -1.418 -1.337 1.00 0.00 C ATOM 1195 O LYS A 80 13.154 -1.682 -0.579 1.00 0.00 O ATOM 1196 CB LYS A 80 14.175 0.891 -2.293 1.00 0.00 C ATOM 1197 CG LYS A 80 14.184 1.773 -3.531 1.00 0.00 C ATOM 1198 CD LYS A 80 12.781 2.220 -3.906 1.00 0.00 C ATOM 1199 CE LYS A 80 12.805 3.246 -5.029 1.00 0.00 C ATOM 1200 NZ LYS A 80 11.534 3.249 -5.805 1.00 0.00 N ATOM 0 H LYS A 80 11.875 0.053 -2.808 1.00 0.00 H new ATOM 0 HA LYS A 80 14.534 -0.935 -3.370 1.00 0.00 H new ATOM 0 HB2 LYS A 80 13.437 1.276 -1.589 1.00 0.00 H new ATOM 0 HB3 LYS A 80 15.147 0.956 -1.804 1.00 0.00 H new ATOM 0 HG2 LYS A 80 14.810 2.647 -3.352 1.00 0.00 H new ATOM 0 HG3 LYS A 80 14.628 1.228 -4.364 1.00 0.00 H new ATOM 0 HD2 LYS A 80 12.193 1.356 -4.214 1.00 0.00 H new ATOM 0 HD3 LYS A 80 12.288 2.646 -3.032 1.00 0.00 H new ATOM 0 HE2 LYS A 80 12.978 4.238 -4.611 1.00 0.00 H new ATOM 0 HE3 LYS A 80 13.639 3.033 -5.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 11.288 4.226 -6.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 11.653 2.681 -6.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 10.772 2.842 -5.225 1.00 0.00 H new ATOM 1214 N HIS A 81 15.332 -1.835 -1.125 1.00 0.00 N ATOM 1215 CA HIS A 81 15.679 -2.644 0.038 1.00 0.00 C ATOM 1216 C HIS A 81 15.732 -1.788 1.300 1.00 0.00 C ATOM 1217 O HIS A 81 15.258 -2.198 2.359 1.00 0.00 O ATOM 1218 CB HIS A 81 17.024 -3.337 -0.180 1.00 0.00 C ATOM 1219 CG HIS A 81 17.676 -3.793 1.089 1.00 0.00 C ATOM 1220 ND1 HIS A 81 17.298 -4.937 1.760 1.00 0.00 N ATOM 1221 CD2 HIS A 81 18.687 -3.254 1.809 1.00 0.00 C ATOM 1222 CE1 HIS A 81 18.047 -5.081 2.839 1.00 0.00 C ATOM 1223 NE2 HIS A 81 18.898 -4.072 2.892 1.00 0.00 N ATOM 0 H HIS A 81 16.116 -1.626 -1.743 1.00 0.00 H new ATOM 0 HA HIS A 81 14.905 -3.401 0.167 1.00 0.00 H new ATOM 0 HB2 HIS A 81 16.878 -4.197 -0.833 1.00 0.00 H new ATOM 0 HB3 HIS A 81 17.696 -2.653 -0.699 1.00 0.00 H new ATOM 0 HD1 HIS A 81 16.556 -5.573 1.469 1.00 0.00 H new ATOM 0 HD2 HIS A 81 19.228 -2.349 1.575 1.00 0.00 H new ATOM 0 HE1 HIS A 81 17.976 -5.886 3.555 1.00 0.00 H new ATOM 1232 N GLN A 82 16.313 -0.599 1.178 1.00 0.00 N ATOM 1233 CA GLN A 82 16.429 0.313 2.309 1.00 0.00 C ATOM 1234 C GLN A 82 15.123 0.377 3.094 1.00 0.00 C ATOM 1235 O GLN A 82 15.116 0.699 4.282 1.00 0.00 O ATOM 1236 CB GLN A 82 16.817 1.712 1.826 1.00 0.00 C ATOM 1237 CG GLN A 82 15.865 2.282 0.787 1.00 0.00 C ATOM 1238 CD GLN A 82 15.901 3.796 0.731 1.00 0.00 C ATOM 1239 OE1 GLN A 82 14.939 4.466 1.109 1.00 0.00 O ATOM 1240 NE2 GLN A 82 17.013 4.345 0.257 1.00 0.00 N ATOM 0 H GLN A 82 16.710 -0.245 0.308 1.00 0.00 H new ATOM 0 HA GLN A 82 17.210 -0.065 2.969 1.00 0.00 H new ATOM 0 HB2 GLN A 82 16.853 2.386 2.682 1.00 0.00 H new ATOM 0 HB3 GLN A 82 17.822 1.677 1.405 1.00 0.00 H new ATOM 0 HG2 GLN A 82 16.120 1.880 -0.193 1.00 0.00 H new ATOM 0 HG3 GLN A 82 14.850 1.955 1.011 1.00 0.00 H new ATOM 0 HE21 GLN A 82 17.786 3.752 -0.045 1.00 0.00 H new ATOM 0 HE22 GLN A 82 17.094 5.360 0.195 1.00 0.00 H new ATOM 1249 N ASP A 83 14.020 0.069 2.421 1.00 0.00 N ATOM 1250 CA ASP A 83 12.707 0.091 3.056 1.00 0.00 C ATOM 1251 C ASP A 83 12.281 -1.314 3.472 1.00 0.00 C ATOM 1252 O ASP A 83 11.092 -1.631 3.496 1.00 0.00 O ATOM 1253 CB ASP A 83 11.668 0.691 2.107 1.00 0.00 C ATOM 1254 CG ASP A 83 11.573 2.199 2.232 1.00 0.00 C ATOM 1255 OD1 ASP A 83 12.566 2.823 2.661 1.00 0.00 O ATOM 1256 OD2 ASP A 83 10.505 2.755 1.901 1.00 0.00 O ATOM 0 H ASP A 83 14.009 -0.199 1.437 1.00 0.00 H new ATOM 0 HA ASP A 83 12.773 0.711 3.950 1.00 0.00 H new ATOM 0 HB2 ASP A 83 11.924 0.430 1.080 1.00 0.00 H new ATOM 0 HB3 ASP A 83 10.693 0.250 2.314 1.00 0.00 H new ATOM 1261 N SER A 84 13.261 -2.151 3.798 1.00 0.00 N ATOM 1262 CA SER A 84 12.988 -3.524 4.209 1.00 0.00 C ATOM 1263 C SER A 84 11.912 -3.564 5.290 1.00 0.00 C ATOM 1264 O SER A 84 11.709 -2.591 6.016 1.00 0.00 O ATOM 1265 CB SER A 84 14.267 -4.188 4.722 1.00 0.00 C ATOM 1266 OG SER A 84 14.749 -3.537 5.885 1.00 0.00 O ATOM 0 H SER A 84 14.250 -1.903 3.786 1.00 0.00 H new ATOM 0 HA SER A 84 12.625 -4.072 3.340 1.00 0.00 H new ATOM 0 HB2 SER A 84 14.072 -5.237 4.943 1.00 0.00 H new ATOM 0 HB3 SER A 84 15.031 -4.163 3.945 1.00 0.00 H new ATOM 0 HG SER A 84 15.566 -3.981 6.194 1.00 0.00 H new ATOM 1272 N GLY A 85 11.224 -4.697 5.389 1.00 0.00 N ATOM 1273 CA GLY A 85 10.176 -4.844 6.383 1.00 0.00 C ATOM 1274 C GLY A 85 9.262 -3.637 6.445 1.00 0.00 C ATOM 1275 O GLY A 85 8.972 -3.124 7.525 1.00 0.00 O ATOM 0 H GLY A 85 11.373 -5.516 4.799 1.00 0.00 H new ATOM 0 HA2 GLY A 85 9.586 -5.732 6.155 1.00 0.00 H new ATOM 0 HA3 GLY A 85 10.628 -5.004 7.362 1.00 0.00 H new ATOM 1279 N ALA A 86 8.807 -3.181 5.282 1.00 0.00 N ATOM 1280 CA ALA A 86 7.920 -2.026 5.208 1.00 0.00 C ATOM 1281 C ALA A 86 6.551 -2.348 5.796 1.00 0.00 C ATOM 1282 O ALA A 86 6.249 -3.503 6.099 1.00 0.00 O ATOM 1283 CB ALA A 86 7.781 -1.559 3.767 1.00 0.00 C ATOM 0 H ALA A 86 9.038 -3.594 4.378 1.00 0.00 H new ATOM 0 HA ALA A 86 8.360 -1.222 5.798 1.00 0.00 H new ATOM 0 HB1 ALA A 86 7.116 -0.696 3.727 1.00 0.00 H new ATOM 0 HB2 ALA A 86 8.761 -1.281 3.379 1.00 0.00 H new ATOM 0 HB3 ALA A 86 7.366 -2.365 3.162 1.00 0.00 H new ATOM 1289 N LEU A 87 5.725 -1.320 5.957 1.00 0.00 N ATOM 1290 CA LEU A 87 4.386 -1.493 6.510 1.00 0.00 C ATOM 1291 C LEU A 87 3.323 -1.038 5.516 1.00 0.00 C ATOM 1292 O LEU A 87 3.129 0.159 5.303 1.00 0.00 O ATOM 1293 CB LEU A 87 4.248 -0.710 7.817 1.00 0.00 C ATOM 1294 CG LEU A 87 3.296 -1.302 8.857 1.00 0.00 C ATOM 1295 CD1 LEU A 87 1.948 -1.618 8.228 1.00 0.00 C ATOM 1296 CD2 LEU A 87 3.900 -2.551 9.482 1.00 0.00 C ATOM 0 H LEU A 87 5.959 -0.358 5.712 1.00 0.00 H new ATOM 0 HA LEU A 87 4.237 -2.554 6.712 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.236 -0.619 8.268 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.912 0.299 7.579 1.00 0.00 H new ATOM 0 HG LEU A 87 3.143 -0.563 9.644 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.284 -2.038 8.983 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.510 -0.704 7.828 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.083 -2.339 7.422 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.209 -2.959 10.220 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.083 -3.294 8.706 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.841 -2.296 9.969 1.00 0.00 H new ATOM 1308 N VAL A 88 2.635 -2.000 4.910 1.00 0.00 N ATOM 1309 CA VAL A 88 1.589 -1.699 3.940 1.00 0.00 C ATOM 1310 C VAL A 88 0.211 -2.045 4.493 1.00 0.00 C ATOM 1311 O VAL A 88 -0.139 -3.216 4.630 1.00 0.00 O ATOM 1312 CB VAL A 88 1.808 -2.464 2.622 1.00 0.00 C ATOM 1313 CG1 VAL A 88 0.811 -2.008 1.568 1.00 0.00 C ATOM 1314 CG2 VAL A 88 3.236 -2.282 2.132 1.00 0.00 C ATOM 0 H VAL A 88 2.783 -2.996 5.074 1.00 0.00 H new ATOM 0 HA VAL A 88 1.640 -0.628 3.742 1.00 0.00 H new ATOM 0 HB VAL A 88 1.644 -3.526 2.806 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.981 -2.560 0.643 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -0.203 -2.196 1.921 1.00 0.00 H new ATOM 0 HG13 VAL A 88 0.939 -0.942 1.383 1.00 0.00 H new ATOM 0 HG21 VAL A 88 3.373 -2.829 1.199 1.00 0.00 H new ATOM 0 HG22 VAL A 88 3.430 -1.223 1.963 1.00 0.00 H new ATOM 0 HG23 VAL A 88 3.929 -2.663 2.882 1.00 0.00 H new ATOM 1324 N GLY A 89 -0.569 -1.015 4.810 1.00 0.00 N ATOM 1325 CA GLY A 89 -1.901 -1.231 5.344 1.00 0.00 C ATOM 1326 C GLY A 89 -2.903 -0.216 4.832 1.00 0.00 C ATOM 1327 O GLY A 89 -2.531 0.889 4.435 1.00 0.00 O ATOM 0 H GLY A 89 -0.302 -0.036 4.706 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.237 -2.234 5.079 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -1.865 -1.184 6.432 1.00 0.00 H new ATOM 1331 N PHE A 90 -4.178 -0.590 4.837 1.00 0.00 N ATOM 1332 CA PHE A 90 -5.237 0.296 4.367 1.00 0.00 C ATOM 1333 C PHE A 90 -6.165 0.690 5.512 1.00 0.00 C ATOM 1334 O PHE A 90 -6.967 -0.118 5.982 1.00 0.00 O ATOM 1335 CB PHE A 90 -6.040 -0.381 3.254 1.00 0.00 C ATOM 1336 CG PHE A 90 -7.395 0.229 3.037 1.00 0.00 C ATOM 1337 CD1 PHE A 90 -7.530 1.423 2.348 1.00 0.00 C ATOM 1338 CD2 PHE A 90 -8.535 -0.393 3.522 1.00 0.00 C ATOM 1339 CE1 PHE A 90 -8.775 1.987 2.147 1.00 0.00 C ATOM 1340 CE2 PHE A 90 -9.784 0.166 3.324 1.00 0.00 C ATOM 1341 CZ PHE A 90 -9.904 1.357 2.635 1.00 0.00 C ATOM 0 H PHE A 90 -4.503 -1.501 5.161 1.00 0.00 H new ATOM 0 HA PHE A 90 -4.772 1.200 3.973 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -5.473 -0.328 2.324 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -6.160 -1.437 3.494 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -6.651 1.919 1.963 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -8.447 -1.325 4.061 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -8.866 2.919 1.609 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -10.665 -0.328 3.708 1.00 0.00 H new ATOM 0 HZ PHE A 90 -10.879 1.795 2.478 1.00 0.00 H new ATOM 1351 N SER A 91 -6.050 1.937 5.957 1.00 0.00 N ATOM 1352 CA SER A 91 -6.875 2.438 7.049 1.00 0.00 C ATOM 1353 C SER A 91 -8.187 3.011 6.521 1.00 0.00 C ATOM 1354 O SER A 91 -8.192 3.847 5.617 1.00 0.00 O ATOM 1355 CB SER A 91 -6.118 3.509 7.838 1.00 0.00 C ATOM 1356 OG SER A 91 -5.665 4.546 6.985 1.00 0.00 O ATOM 0 H SER A 91 -5.393 2.619 5.578 1.00 0.00 H new ATOM 0 HA SER A 91 -7.104 1.603 7.711 1.00 0.00 H new ATOM 0 HB2 SER A 91 -6.768 3.925 8.608 1.00 0.00 H new ATOM 0 HB3 SER A 91 -5.268 3.056 8.348 1.00 0.00 H new ATOM 0 HG SER A 91 -4.689 4.614 7.043 1.00 0.00 H new ATOM 1362 N CYS A 92 -9.296 2.556 7.092 1.00 0.00 N ATOM 1363 CA CYS A 92 -10.615 3.021 6.679 1.00 0.00 C ATOM 1364 C CYS A 92 -11.558 3.113 7.874 1.00 0.00 C ATOM 1365 O CYS A 92 -11.374 2.448 8.894 1.00 0.00 O ATOM 1366 CB CYS A 92 -11.202 2.084 5.622 1.00 0.00 C ATOM 1367 SG CYS A 92 -12.218 0.751 6.300 1.00 0.00 S ATOM 0 H CYS A 92 -9.308 1.865 7.843 1.00 0.00 H new ATOM 0 HA CYS A 92 -10.503 4.017 6.250 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -11.805 2.669 4.928 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -10.386 1.647 5.046 1.00 0.00 H new ATOM 0 HG CYS A 92 -12.671 0.014 5.330 1.00 0.00 H new ATOM 1373 N PRO A 93 -12.592 3.958 7.749 1.00 0.00 N ATOM 1374 CA PRO A 93 -13.584 4.159 8.810 1.00 0.00 C ATOM 1375 C PRO A 93 -14.478 2.939 9.005 1.00 0.00 C ATOM 1376 O PRO A 93 -15.615 2.909 8.537 1.00 0.00 O ATOM 1377 CB PRO A 93 -14.405 5.349 8.308 1.00 0.00 C ATOM 1378 CG PRO A 93 -14.255 5.314 6.826 1.00 0.00 C ATOM 1379 CD PRO A 93 -12.873 4.783 6.562 1.00 0.00 C ATOM 0 HA PRO A 93 -13.116 4.326 9.780 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -15.451 5.261 8.602 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -14.036 6.287 8.721 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -15.012 4.674 6.372 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -14.379 6.309 6.398 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -12.837 4.194 5.646 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -12.147 5.589 6.452 1.00 0.00 H new ATOM 1387 N GLY A 94 -13.956 1.933 9.701 1.00 0.00 N ATOM 1388 CA GLY A 94 -14.721 0.724 9.946 1.00 0.00 C ATOM 1389 C GLY A 94 -13.850 -0.516 9.982 1.00 0.00 C ATOM 1390 O GLY A 94 -14.268 -1.563 10.477 1.00 0.00 O ATOM 0 H GLY A 94 -13.017 1.934 10.099 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -15.252 0.819 10.893 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -15.476 0.611 9.168 1.00 0.00 H new ATOM 1394 N VAL A 95 -12.635 -0.400 9.456 1.00 0.00 N ATOM 1395 CA VAL A 95 -11.703 -1.520 9.430 1.00 0.00 C ATOM 1396 C VAL A 95 -10.272 -1.050 9.666 1.00 0.00 C ATOM 1397 O VAL A 95 -9.908 0.068 9.304 1.00 0.00 O ATOM 1398 CB VAL A 95 -11.769 -2.274 8.089 1.00 0.00 C ATOM 1399 CG1 VAL A 95 -10.657 -3.309 8.002 1.00 0.00 C ATOM 1400 CG2 VAL A 95 -13.131 -2.928 7.913 1.00 0.00 C ATOM 0 H VAL A 95 -12.273 0.459 9.042 1.00 0.00 H new ATOM 0 HA VAL A 95 -11.998 -2.195 10.233 1.00 0.00 H new ATOM 0 HB VAL A 95 -11.628 -1.556 7.281 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -10.720 -3.831 7.047 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -9.690 -2.812 8.080 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -10.763 -4.026 8.816 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -13.160 -3.457 6.960 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -13.303 -3.634 8.725 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -13.907 -2.162 7.927 1.00 0.00 H new ATOM 1410 N GLN A 96 -9.464 -1.913 10.275 1.00 0.00 N ATOM 1411 CA GLN A 96 -8.072 -1.586 10.559 1.00 0.00 C ATOM 1412 C GLN A 96 -7.183 -2.817 10.416 1.00 0.00 C ATOM 1413 O GLN A 96 -7.242 -3.735 11.234 1.00 0.00 O ATOM 1414 CB GLN A 96 -7.940 -1.007 11.969 1.00 0.00 C ATOM 1415 CG GLN A 96 -6.500 -0.870 12.438 1.00 0.00 C ATOM 1416 CD GLN A 96 -6.374 -0.897 13.948 1.00 0.00 C ATOM 1417 OE1 GLN A 96 -6.897 -0.025 14.642 1.00 0.00 O ATOM 1418 NE2 GLN A 96 -5.676 -1.901 14.467 1.00 0.00 N ATOM 0 H GLN A 96 -9.750 -2.843 10.581 1.00 0.00 H new ATOM 0 HA GLN A 96 -7.745 -0.839 9.835 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -8.417 -0.027 11.997 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -8.482 -1.645 12.667 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -5.905 -1.678 12.013 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -6.086 0.064 12.059 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -5.259 -2.602 13.855 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -5.557 -1.970 15.478 1.00 0.00 H new ATOM 1427 N ASP A 97 -6.361 -2.828 9.373 1.00 0.00 N ATOM 1428 CA ASP A 97 -5.458 -3.947 9.124 1.00 0.00 C ATOM 1429 C ASP A 97 -4.242 -3.495 8.322 1.00 0.00 C ATOM 1430 O ASP A 97 -4.279 -2.467 7.645 1.00 0.00 O ATOM 1431 CB ASP A 97 -6.190 -5.063 8.377 1.00 0.00 C ATOM 1432 CG ASP A 97 -5.559 -6.423 8.606 1.00 0.00 C ATOM 1433 OD1 ASP A 97 -5.079 -6.673 9.731 1.00 0.00 O ATOM 1434 OD2 ASP A 97 -5.545 -7.237 7.659 1.00 0.00 O ATOM 0 H ASP A 97 -6.301 -2.076 8.687 1.00 0.00 H new ATOM 0 HA ASP A 97 -5.116 -4.327 10.086 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -7.231 -5.090 8.699 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -6.192 -4.842 7.310 1.00 0.00 H new ATOM 1439 N SER A 98 -3.164 -4.268 8.405 1.00 0.00 N ATOM 1440 CA SER A 98 -1.934 -3.945 7.691 1.00 0.00 C ATOM 1441 C SER A 98 -1.098 -5.199 7.454 1.00 0.00 C ATOM 1442 O SER A 98 -1.358 -6.251 8.037 1.00 0.00 O ATOM 1443 CB SER A 98 -1.119 -2.917 8.477 1.00 0.00 C ATOM 1444 OG SER A 98 -0.722 -3.434 9.735 1.00 0.00 O ATOM 0 H SER A 98 -3.117 -5.123 8.960 1.00 0.00 H new ATOM 0 HA SER A 98 -2.205 -3.522 6.724 1.00 0.00 H new ATOM 0 HB2 SER A 98 -0.237 -2.632 7.903 1.00 0.00 H new ATOM 0 HB3 SER A 98 -1.711 -2.013 8.622 1.00 0.00 H new ATOM 0 HG SER A 98 -0.342 -2.713 10.280 1.00 0.00 H new ATOM 1450 N ALA A 99 -0.094 -5.079 6.592 1.00 0.00 N ATOM 1451 CA ALA A 99 0.782 -6.201 6.277 1.00 0.00 C ATOM 1452 C ALA A 99 2.249 -5.805 6.408 1.00 0.00 C ATOM 1453 O ALA A 99 2.570 -4.637 6.621 1.00 0.00 O ATOM 1454 CB ALA A 99 0.495 -6.717 4.875 1.00 0.00 C ATOM 0 H ALA A 99 0.133 -4.215 6.099 1.00 0.00 H new ATOM 0 HA ALA A 99 0.583 -6.998 6.993 1.00 0.00 H new ATOM 0 HB1 ALA A 99 1.156 -7.555 4.653 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -0.542 -7.047 4.814 1.00 0.00 H new ATOM 0 HB3 ALA A 99 0.665 -5.919 4.152 1.00 0.00 H new ATOM 1460 N ALA A 100 3.135 -6.787 6.280 1.00 0.00 N ATOM 1461 CA ALA A 100 4.568 -6.541 6.382 1.00 0.00 C ATOM 1462 C ALA A 100 5.275 -6.861 5.070 1.00 0.00 C ATOM 1463 O ALA A 100 5.165 -7.972 4.548 1.00 0.00 O ATOM 1464 CB ALA A 100 5.164 -7.359 7.519 1.00 0.00 C ATOM 0 H ALA A 100 2.886 -7.760 6.105 1.00 0.00 H new ATOM 0 HA ALA A 100 4.716 -5.482 6.594 1.00 0.00 H new ATOM 0 HB1 ALA A 100 6.235 -7.166 7.584 1.00 0.00 H new ATOM 0 HB2 ALA A 100 4.687 -7.078 8.458 1.00 0.00 H new ATOM 0 HB3 ALA A 100 4.998 -8.420 7.330 1.00 0.00 H new ATOM 1470 N LEU A 101 6.001 -5.883 4.541 1.00 0.00 N ATOM 1471 CA LEU A 101 6.727 -6.060 3.287 1.00 0.00 C ATOM 1472 C LEU A 101 8.215 -6.271 3.545 1.00 0.00 C ATOM 1473 O LEU A 101 8.940 -5.330 3.871 1.00 0.00 O ATOM 1474 CB LEU A 101 6.521 -4.846 2.380 1.00 0.00 C ATOM 1475 CG LEU A 101 7.534 -4.675 1.248 1.00 0.00 C ATOM 1476 CD1 LEU A 101 7.336 -5.748 0.188 1.00 0.00 C ATOM 1477 CD2 LEU A 101 7.419 -3.288 0.633 1.00 0.00 C ATOM 0 H LEU A 101 6.103 -4.959 4.960 1.00 0.00 H new ATOM 0 HA LEU A 101 6.334 -6.947 2.790 1.00 0.00 H new ATOM 0 HB2 LEU A 101 5.525 -4.909 1.943 1.00 0.00 H new ATOM 0 HB3 LEU A 101 6.542 -3.948 2.998 1.00 0.00 H new ATOM 0 HG LEU A 101 8.536 -4.784 1.664 1.00 0.00 H new ATOM 0 HD11 LEU A 101 8.066 -5.610 -0.610 1.00 0.00 H new ATOM 0 HD12 LEU A 101 7.470 -6.732 0.637 1.00 0.00 H new ATOM 0 HD13 LEU A 101 6.330 -5.671 -0.224 1.00 0.00 H new ATOM 0 HD21 LEU A 101 8.148 -3.185 -0.171 1.00 0.00 H new ATOM 0 HD22 LEU A 101 6.415 -3.150 0.232 1.00 0.00 H new ATOM 0 HD23 LEU A 101 7.612 -2.534 1.396 1.00 0.00 H new ATOM 1489 N THR A 102 8.667 -7.512 3.396 1.00 0.00 N ATOM 1490 CA THR A 102 10.069 -7.847 3.611 1.00 0.00 C ATOM 1491 C THR A 102 10.856 -7.781 2.308 1.00 0.00 C ATOM 1492 O THR A 102 10.436 -8.332 1.290 1.00 0.00 O ATOM 1493 CB THR A 102 10.223 -9.253 4.221 1.00 0.00 C ATOM 1494 OG1 THR A 102 9.638 -9.287 5.527 1.00 0.00 O ATOM 1495 CG2 THR A 102 11.690 -9.647 4.306 1.00 0.00 C ATOM 0 H THR A 102 8.081 -8.303 3.127 1.00 0.00 H new ATOM 0 HA THR A 102 10.467 -7.111 4.309 1.00 0.00 H new ATOM 0 HB THR A 102 9.709 -9.964 3.575 1.00 0.00 H new ATOM 0 HG1 THR A 102 9.739 -10.185 5.907 1.00 0.00 H new ATOM 0 HG21 THR A 102 11.775 -10.643 4.740 1.00 0.00 H new ATOM 0 HG22 THR A 102 12.125 -9.648 3.307 1.00 0.00 H new ATOM 0 HG23 THR A 102 12.223 -8.932 4.933 1.00 0.00 H new ATOM 1503 N ILE A 103 11.999 -7.105 2.346 1.00 0.00 N ATOM 1504 CA ILE A 103 12.846 -6.970 1.167 1.00 0.00 C ATOM 1505 C ILE A 103 14.273 -7.422 1.460 1.00 0.00 C ATOM 1506 O ILE A 103 14.962 -6.831 2.291 1.00 0.00 O ATOM 1507 CB ILE A 103 12.874 -5.516 0.658 1.00 0.00 C ATOM 1508 CG1 ILE A 103 11.459 -5.044 0.320 1.00 0.00 C ATOM 1509 CG2 ILE A 103 13.782 -5.398 -0.557 1.00 0.00 C ATOM 1510 CD1 ILE A 103 11.313 -3.538 0.298 1.00 0.00 C ATOM 0 H ILE A 103 12.360 -6.642 3.180 1.00 0.00 H new ATOM 0 HA ILE A 103 12.417 -7.609 0.395 1.00 0.00 H new ATOM 0 HB ILE A 103 13.271 -4.878 1.447 1.00 0.00 H new ATOM 0 HG12 ILE A 103 11.175 -5.443 -0.654 1.00 0.00 H new ATOM 0 HG13 ILE A 103 10.763 -5.458 1.049 1.00 0.00 H new ATOM 0 HG21 ILE A 103 13.792 -4.365 -0.905 1.00 0.00 H new ATOM 0 HG22 ILE A 103 14.794 -5.699 -0.286 1.00 0.00 H new ATOM 0 HG23 ILE A 103 13.412 -6.045 -1.352 1.00 0.00 H new ATOM 0 HD11 ILE A 103 10.284 -3.276 0.051 1.00 0.00 H new ATOM 0 HD12 ILE A 103 11.566 -3.134 1.278 1.00 0.00 H new ATOM 0 HD13 ILE A 103 11.984 -3.118 -0.452 1.00 0.00 H new ATOM 1522 N GLN A 104 14.708 -8.471 0.771 1.00 0.00 N ATOM 1523 CA GLN A 104 16.054 -9.001 0.957 1.00 0.00 C ATOM 1524 C GLN A 104 17.005 -8.456 -0.103 1.00 0.00 C ATOM 1525 O GLN A 104 16.581 -8.079 -1.195 1.00 0.00 O ATOM 1526 CB GLN A 104 16.034 -10.530 0.903 1.00 0.00 C ATOM 1527 CG GLN A 104 15.258 -11.168 2.044 1.00 0.00 C ATOM 1528 CD GLN A 104 15.891 -10.912 3.397 1.00 0.00 C ATOM 1529 OE1 GLN A 104 17.114 -10.848 3.521 1.00 0.00 O ATOM 1530 NE2 GLN A 104 15.059 -10.762 4.421 1.00 0.00 N ATOM 0 H GLN A 104 14.149 -8.971 0.079 1.00 0.00 H new ATOM 0 HA GLN A 104 16.411 -8.683 1.937 1.00 0.00 H new ATOM 0 HB2 GLN A 104 15.597 -10.846 -0.044 1.00 0.00 H new ATOM 0 HB3 GLN A 104 17.059 -10.900 0.920 1.00 0.00 H new ATOM 0 HG2 GLN A 104 14.239 -10.782 2.045 1.00 0.00 H new ATOM 0 HG3 GLN A 104 15.191 -12.243 1.876 1.00 0.00 H new ATOM 0 HE21 GLN A 104 14.052 -10.823 4.273 1.00 0.00 H new ATOM 0 HE22 GLN A 104 15.427 -10.586 5.356 1.00 0.00 H new ATOM 1539 N GLU A 105 18.292 -8.417 0.227 1.00 0.00 N ATOM 1540 CA GLU A 105 19.303 -7.916 -0.697 1.00 0.00 C ATOM 1541 C GLU A 105 19.659 -8.973 -1.739 1.00 0.00 C ATOM 1542 O GLU A 105 19.908 -10.131 -1.404 1.00 0.00 O ATOM 1543 CB GLU A 105 20.559 -7.493 0.066 1.00 0.00 C ATOM 1544 CG GLU A 105 20.309 -6.403 1.095 1.00 0.00 C ATOM 1545 CD GLU A 105 21.560 -6.028 1.864 1.00 0.00 C ATOM 1546 OE1 GLU A 105 22.439 -6.900 2.027 1.00 0.00 O ATOM 1547 OE2 GLU A 105 21.661 -4.863 2.303 1.00 0.00 O ATOM 0 H GLU A 105 18.659 -8.726 1.127 1.00 0.00 H new ATOM 0 HA GLU A 105 18.890 -7.048 -1.211 1.00 0.00 H new ATOM 0 HB2 GLU A 105 20.980 -8.365 0.567 1.00 0.00 H new ATOM 0 HB3 GLU A 105 21.306 -7.144 -0.647 1.00 0.00 H new ATOM 0 HG2 GLU A 105 19.917 -5.518 0.593 1.00 0.00 H new ATOM 0 HG3 GLU A 105 19.544 -6.738 1.795 1.00 0.00 H new ATOM 1554 N SER A 106 19.680 -8.565 -3.004 1.00 0.00 N ATOM 1555 CA SER A 106 20.002 -9.477 -4.096 1.00 0.00 C ATOM 1556 C SER A 106 21.376 -10.107 -3.891 1.00 0.00 C ATOM 1557 O SER A 106 21.530 -11.326 -3.968 1.00 0.00 O ATOM 1558 CB SER A 106 19.961 -8.737 -5.434 1.00 0.00 C ATOM 1559 OG SER A 106 18.632 -8.615 -5.909 1.00 0.00 O ATOM 0 H SER A 106 19.478 -7.609 -3.298 1.00 0.00 H new ATOM 0 HA SER A 106 19.256 -10.272 -4.105 1.00 0.00 H new ATOM 0 HB2 SER A 106 20.402 -7.747 -5.319 1.00 0.00 H new ATOM 0 HB3 SER A 106 20.565 -9.271 -6.167 1.00 0.00 H new ATOM 0 HG SER A 106 18.633 -8.137 -6.764 1.00 0.00 H new ATOM 1565 N SER A 107 22.372 -9.266 -3.630 1.00 0.00 N ATOM 1566 CA SER A 107 23.735 -9.739 -3.418 1.00 0.00 C ATOM 1567 C SER A 107 24.074 -9.772 -1.931 1.00 0.00 C ATOM 1568 O SER A 107 23.446 -9.086 -1.124 1.00 0.00 O ATOM 1569 CB SER A 107 24.729 -8.843 -4.159 1.00 0.00 C ATOM 1570 OG SER A 107 24.680 -9.073 -5.556 1.00 0.00 O ATOM 0 H SER A 107 22.261 -8.254 -3.560 1.00 0.00 H new ATOM 0 HA SER A 107 23.807 -10.753 -3.812 1.00 0.00 H new ATOM 0 HB2 SER A 107 24.505 -7.797 -3.952 1.00 0.00 H new ATOM 0 HB3 SER A 107 25.738 -9.032 -3.791 1.00 0.00 H new ATOM 0 HG SER A 107 25.323 -8.487 -6.007 1.00 0.00 H new ATOM 1576 N GLY A 108 25.072 -10.575 -1.574 1.00 0.00 N ATOM 1577 CA GLY A 108 25.477 -10.684 -0.185 1.00 0.00 C ATOM 1578 C GLY A 108 26.984 -10.680 -0.019 1.00 0.00 C ATOM 1579 O GLY A 108 27.737 -10.605 -0.990 1.00 0.00 O ATOM 0 H GLY A 108 25.607 -11.152 -2.223 1.00 0.00 H new ATOM 0 HA2 GLY A 108 25.050 -9.856 0.381 1.00 0.00 H new ATOM 0 HA3 GLY A 108 25.070 -11.603 0.238 1.00 0.00 H new ATOM 1583 N PRO A 109 27.444 -10.759 1.238 1.00 0.00 N ATOM 1584 CA PRO A 109 28.875 -10.765 1.558 1.00 0.00 C ATOM 1585 C PRO A 109 29.561 -12.055 1.121 1.00 0.00 C ATOM 1586 O PRO A 109 29.369 -13.108 1.727 1.00 0.00 O ATOM 1587 CB PRO A 109 28.898 -10.638 3.083 1.00 0.00 C ATOM 1588 CG PRO A 109 27.588 -11.191 3.529 1.00 0.00 C ATOM 1589 CD PRO A 109 26.604 -10.851 2.444 1.00 0.00 C ATOM 0 HA PRO A 109 29.411 -9.969 1.042 1.00 0.00 H new ATOM 0 HB2 PRO A 109 29.730 -11.195 3.514 1.00 0.00 H new ATOM 0 HB3 PRO A 109 29.015 -9.599 3.392 1.00 0.00 H new ATOM 0 HG2 PRO A 109 27.649 -12.269 3.676 1.00 0.00 H new ATOM 0 HG3 PRO A 109 27.285 -10.756 4.481 1.00 0.00 H new ATOM 0 HD2 PRO A 109 25.837 -11.619 2.342 1.00 0.00 H new ATOM 0 HD3 PRO A 109 26.090 -9.912 2.648 1.00 0.00 H new ATOM 1597 N SER A 110 30.364 -11.964 0.065 1.00 0.00 N ATOM 1598 CA SER A 110 31.076 -13.125 -0.456 1.00 0.00 C ATOM 1599 C SER A 110 32.556 -12.809 -0.656 1.00 0.00 C ATOM 1600 O SER A 110 33.423 -13.424 -0.037 1.00 0.00 O ATOM 1601 CB SER A 110 30.456 -13.579 -1.779 1.00 0.00 C ATOM 1602 OG SER A 110 29.083 -13.889 -1.618 1.00 0.00 O ATOM 0 H SER A 110 30.537 -11.098 -0.446 1.00 0.00 H new ATOM 0 HA SER A 110 30.989 -13.931 0.273 1.00 0.00 H new ATOM 0 HB2 SER A 110 30.570 -12.794 -2.526 1.00 0.00 H new ATOM 0 HB3 SER A 110 30.988 -14.454 -2.153 1.00 0.00 H new ATOM 0 HG SER A 110 28.709 -14.175 -2.478 1.00 0.00 H new ATOM 1608 N SER A 111 32.835 -11.844 -1.527 1.00 0.00 N ATOM 1609 CA SER A 111 34.209 -11.448 -1.814 1.00 0.00 C ATOM 1610 C SER A 111 34.544 -10.122 -1.138 1.00 0.00 C ATOM 1611 O SER A 111 33.661 -9.306 -0.874 1.00 0.00 O ATOM 1612 CB SER A 111 34.425 -11.333 -3.324 1.00 0.00 C ATOM 1613 OG SER A 111 34.849 -12.567 -3.874 1.00 0.00 O ATOM 0 H SER A 111 32.128 -11.322 -2.046 1.00 0.00 H new ATOM 0 HA SER A 111 34.873 -12.216 -1.417 1.00 0.00 H new ATOM 0 HB2 SER A 111 33.499 -11.017 -3.804 1.00 0.00 H new ATOM 0 HB3 SER A 111 35.170 -10.564 -3.530 1.00 0.00 H new ATOM 0 HG SER A 111 34.978 -12.467 -4.840 1.00 0.00 H new ATOM 1619 N GLY A 112 35.828 -9.913 -0.860 1.00 0.00 N ATOM 1620 CA GLY A 112 36.258 -8.685 -0.218 1.00 0.00 C ATOM 1621 C GLY A 112 37.044 -8.941 1.053 1.00 0.00 C ATOM 1622 O GLY A 112 38.258 -9.135 1.011 1.00 0.00 O ATOM 0 H GLY A 112 36.578 -10.573 -1.068 1.00 0.00 H new ATOM 0 HA2 GLY A 112 36.872 -8.111 -0.912 1.00 0.00 H new ATOM 0 HA3 GLY A 112 35.385 -8.075 0.015 1.00 0.00 H new TER 1626 GLY A 112