USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 630 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 20 ASN :FLIP amide:sc= 1.53 F(o=1.2,f=2.9) USER MOD Set 1.2: B 20 ASN :FLIP amide:sc= 1.35 F(o=1.2,f=2.9) USER MOD Single : A 0 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot -141:sc= 0.89 USER MOD Single : A 4 SER OG : rot 180:sc= 0.218 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot -97:sc= 1.26 USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 19 GLN : amide:sc= -0.0621 K(o=-0.062,f=-0.66) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 HIS : no HD1:sc= -1.25 K(o=-1.2,f=-2.2!) USER MOD Single : A 25 ASN : amide:sc= 0.984 K(o=0.98,f=-3.7!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 0 GLY N :NH3+ -130:sc= 0.108 (180deg=0) USER MOD Single : B 3 SER OG : rot 180:sc= 0.0803 USER MOD Single : B 4 SER OG : rot 180:sc= 0 USER MOD Single : B 5 SER OG : rot 180:sc= 0.137 USER MOD Single : B 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 SER OG : rot 180:sc= 0 USER MOD Single : B 17 GLN :FLIP amide:sc= -1.17 F(o=-6!,f=-1.2) USER MOD Single : B 19 GLN : amide:sc=-0.00446 X(o=-0.0045,f=-0.021) USER MOD Single : B 21 TYR OH : rot 180:sc= 0 USER MOD Single : B 22 HIS : no HE2:sc= 1.11 K(o=1.1,f=-4.4!) USER MOD Single : B 25 ASN : amide:sc= -3.4! C(o=-3.4!,f=-5.2!) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 LYS NZ :NH3+ -173:sc= 1.31 (180deg=1.24) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 0 -30.539 14.821 -4.723 1.00 0.00 N ATOM 2 CA GLY A 0 -30.168 16.219 -4.404 1.00 0.00 C ATOM 3 C GLY A 0 -28.868 16.287 -3.638 1.00 0.00 C ATOM 4 O GLY A 0 -27.809 15.942 -4.166 1.00 0.00 O ATOM 0 H1 GLY A 0 -31.436 14.811 -5.249 1.00 0.00 H new ATOM 0 H2 GLY A 0 -29.793 14.388 -5.303 1.00 0.00 H new ATOM 0 H3 GLY A 0 -30.649 14.281 -3.841 1.00 0.00 H new ATOM 0 HA2 GLY A 0 -30.078 16.792 -5.327 1.00 0.00 H new ATOM 0 HA3 GLY A 0 -30.962 16.682 -3.817 1.00 0.00 H new ATOM 7 N ALA A 1 -28.935 16.737 -2.396 1.00 0.00 N ATOM 8 CA ALA A 1 -27.770 16.751 -1.536 1.00 0.00 C ATOM 9 C ALA A 1 -27.895 15.665 -0.481 1.00 0.00 C ATOM 10 O ALA A 1 -28.594 15.828 0.522 1.00 0.00 O ATOM 11 CB ALA A 1 -27.592 18.117 -0.892 1.00 0.00 C ATOM 0 H ALA A 1 -29.786 17.097 -1.963 1.00 0.00 H new ATOM 0 HA ALA A 1 -26.884 16.551 -2.139 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -26.711 18.105 -0.250 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -27.465 18.871 -1.668 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -28.472 18.355 -0.295 1.00 0.00 H new ATOM 17 N GLY A 2 -27.243 14.542 -0.726 1.00 0.00 N ATOM 18 CA GLY A 2 -27.311 13.428 0.188 1.00 0.00 C ATOM 19 C GLY A 2 -26.000 12.686 0.254 1.00 0.00 C ATOM 20 O GLY A 2 -25.968 11.476 0.479 1.00 0.00 O ATOM 0 H GLY A 2 -26.663 14.383 -1.550 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -27.577 13.787 1.182 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -28.101 12.746 -0.126 1.00 0.00 H new ATOM 24 N SER A 3 -24.910 13.416 0.051 1.00 0.00 N ATOM 25 CA SER A 3 -23.582 12.829 0.073 1.00 0.00 C ATOM 26 C SER A 3 -23.088 12.683 1.515 1.00 0.00 C ATOM 27 O SER A 3 -22.106 13.300 1.920 1.00 0.00 O ATOM 28 CB SER A 3 -22.610 13.685 -0.754 1.00 0.00 C ATOM 29 OG SER A 3 -21.373 13.022 -0.949 1.00 0.00 O ATOM 0 H SER A 3 -24.923 14.420 -0.131 1.00 0.00 H new ATOM 0 HA SER A 3 -23.629 11.835 -0.373 1.00 0.00 H new ATOM 0 HB2 SER A 3 -23.058 13.915 -1.721 1.00 0.00 H new ATOM 0 HB3 SER A 3 -22.439 14.635 -0.248 1.00 0.00 H new ATOM 0 HG SER A 3 -20.641 13.670 -0.883 1.00 0.00 H new ATOM 35 N SER A 4 -23.819 11.906 2.297 1.00 0.00 N ATOM 36 CA SER A 4 -23.417 11.584 3.653 1.00 0.00 C ATOM 37 C SER A 4 -22.508 10.357 3.657 1.00 0.00 C ATOM 38 O SER A 4 -21.294 10.464 3.830 1.00 0.00 O ATOM 39 CB SER A 4 -24.658 11.344 4.507 1.00 0.00 C ATOM 40 OG SER A 4 -25.608 10.565 3.799 1.00 0.00 O ATOM 0 H SER A 4 -24.702 11.484 2.011 1.00 0.00 H new ATOM 0 HA SER A 4 -22.857 12.419 4.074 1.00 0.00 H new ATOM 0 HB2 SER A 4 -24.378 10.836 5.430 1.00 0.00 H new ATOM 0 HB3 SER A 4 -25.101 12.299 4.790 1.00 0.00 H new ATOM 0 HG SER A 4 -26.397 10.419 4.362 1.00 0.00 H new ATOM 46 N SER A 5 -23.109 9.198 3.428 1.00 0.00 N ATOM 47 CA SER A 5 -22.377 7.940 3.395 1.00 0.00 C ATOM 48 C SER A 5 -21.528 7.864 2.130 1.00 0.00 C ATOM 49 O SER A 5 -20.428 7.308 2.137 1.00 0.00 O ATOM 50 CB SER A 5 -23.358 6.761 3.470 1.00 0.00 C ATOM 51 OG SER A 5 -22.677 5.522 3.582 1.00 0.00 O ATOM 0 H SER A 5 -24.111 9.103 3.261 1.00 0.00 H new ATOM 0 HA SER A 5 -21.712 7.887 4.257 1.00 0.00 H new ATOM 0 HB2 SER A 5 -24.020 6.892 4.326 1.00 0.00 H new ATOM 0 HB3 SER A 5 -23.986 6.752 2.579 1.00 0.00 H new ATOM 0 HG SER A 5 -23.330 4.793 3.629 1.00 0.00 H new ATOM 57 N LEU A 6 -22.041 8.449 1.048 1.00 0.00 N ATOM 58 CA LEU A 6 -21.317 8.510 -0.215 1.00 0.00 C ATOM 59 C LEU A 6 -19.978 9.213 -0.004 1.00 0.00 C ATOM 60 O LEU A 6 -18.929 8.699 -0.386 1.00 0.00 O ATOM 61 CB LEU A 6 -22.161 9.255 -1.263 1.00 0.00 C ATOM 62 CG LEU A 6 -21.802 9.003 -2.737 1.00 0.00 C ATOM 63 CD1 LEU A 6 -22.879 9.579 -3.644 1.00 0.00 C ATOM 64 CD2 LEU A 6 -20.453 9.609 -3.098 1.00 0.00 C ATOM 0 H LEU A 6 -22.961 8.889 1.024 1.00 0.00 H new ATOM 0 HA LEU A 6 -21.128 7.499 -0.577 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -23.206 8.984 -1.115 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -22.079 10.325 -1.070 1.00 0.00 H new ATOM 0 HG LEU A 6 -21.739 7.924 -2.880 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -22.615 9.395 -4.685 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -23.834 9.103 -3.423 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -22.961 10.653 -3.475 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -20.234 9.410 -4.147 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -20.481 10.686 -2.931 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -19.676 9.165 -2.475 1.00 0.00 H new ATOM 76 N GLU A 7 -20.029 10.381 0.629 1.00 0.00 N ATOM 77 CA GLU A 7 -18.834 11.170 0.888 1.00 0.00 C ATOM 78 C GLU A 7 -17.922 10.439 1.863 1.00 0.00 C ATOM 79 O GLU A 7 -16.701 10.460 1.717 1.00 0.00 O ATOM 80 CB GLU A 7 -19.214 12.532 1.469 1.00 0.00 C ATOM 81 CG GLU A 7 -18.205 13.626 1.174 1.00 0.00 C ATOM 82 CD GLU A 7 -18.141 13.958 -0.301 1.00 0.00 C ATOM 83 OE1 GLU A 7 -19.123 14.520 -0.830 1.00 0.00 O ATOM 84 OE2 GLU A 7 -17.120 13.644 -0.942 1.00 0.00 O ATOM 0 H GLU A 7 -20.892 10.802 0.973 1.00 0.00 H new ATOM 0 HA GLU A 7 -18.307 11.317 -0.055 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -20.184 12.829 1.071 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -19.328 12.437 2.549 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -18.468 14.522 1.736 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -17.219 13.312 1.518 1.00 0.00 H new ATOM 91 N ALA A 8 -18.530 9.790 2.852 1.00 0.00 N ATOM 92 CA ALA A 8 -17.784 9.038 3.852 1.00 0.00 C ATOM 93 C ALA A 8 -16.931 7.958 3.198 1.00 0.00 C ATOM 94 O ALA A 8 -15.716 7.920 3.388 1.00 0.00 O ATOM 95 CB ALA A 8 -18.733 8.423 4.871 1.00 0.00 C ATOM 0 H ALA A 8 -19.542 9.771 2.981 1.00 0.00 H new ATOM 0 HA ALA A 8 -17.118 9.729 4.369 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -18.160 7.865 5.611 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -19.295 9.214 5.368 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -19.425 7.750 4.364 1.00 0.00 H new ATOM 101 N VAL A 9 -17.568 7.094 2.413 1.00 0.00 N ATOM 102 CA VAL A 9 -16.859 6.026 1.714 1.00 0.00 C ATOM 103 C VAL A 9 -15.824 6.609 0.756 1.00 0.00 C ATOM 104 O VAL A 9 -14.674 6.163 0.721 1.00 0.00 O ATOM 105 CB VAL A 9 -17.830 5.119 0.923 1.00 0.00 C ATOM 106 CG1 VAL A 9 -17.071 4.034 0.170 1.00 0.00 C ATOM 107 CG2 VAL A 9 -18.857 4.497 1.855 1.00 0.00 C ATOM 0 H VAL A 9 -18.574 7.112 2.245 1.00 0.00 H new ATOM 0 HA VAL A 9 -16.360 5.422 2.471 1.00 0.00 H new ATOM 0 HB VAL A 9 -18.352 5.738 0.193 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -17.777 3.410 -0.378 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -16.375 4.496 -0.530 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -16.517 3.419 0.879 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -19.532 3.862 1.281 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -18.348 3.897 2.609 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -19.429 5.285 2.344 1.00 0.00 H new ATOM 117 N ARG A 10 -16.246 7.621 0.004 1.00 0.00 N ATOM 118 CA ARG A 10 -15.378 8.322 -0.945 1.00 0.00 C ATOM 119 C ARG A 10 -14.107 8.814 -0.257 1.00 0.00 C ATOM 120 O ARG A 10 -12.993 8.533 -0.707 1.00 0.00 O ATOM 121 CB ARG A 10 -16.143 9.509 -1.540 1.00 0.00 C ATOM 122 CG ARG A 10 -15.371 10.317 -2.573 1.00 0.00 C ATOM 123 CD ARG A 10 -16.164 11.548 -2.975 1.00 0.00 C ATOM 124 NE ARG A 10 -15.541 12.301 -4.061 1.00 0.00 N ATOM 125 CZ ARG A 10 -15.832 13.574 -4.335 1.00 0.00 C ATOM 126 NH1 ARG A 10 -16.595 14.277 -3.504 1.00 0.00 N ATOM 127 NH2 ARG A 10 -15.326 14.156 -5.412 1.00 0.00 N ATOM 0 H ARG A 10 -17.200 7.981 0.033 1.00 0.00 H new ATOM 0 HA ARG A 10 -15.089 7.632 -1.738 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -17.059 9.138 -2.001 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -16.441 10.174 -0.729 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -14.405 10.615 -2.165 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -15.170 9.702 -3.450 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -17.166 11.244 -3.279 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -16.278 12.199 -2.108 1.00 0.00 H new ATOM 0 HE ARG A 10 -14.847 11.829 -4.640 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -16.959 13.843 -2.655 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -16.817 15.250 -3.715 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -14.712 13.631 -6.035 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -15.550 15.129 -5.619 1.00 0.00 H new ATOM 141 N ARG A 11 -14.288 9.527 0.850 1.00 0.00 N ATOM 142 CA ARG A 11 -13.176 10.101 1.593 1.00 0.00 C ATOM 143 C ARG A 11 -12.266 9.006 2.135 1.00 0.00 C ATOM 144 O ARG A 11 -11.042 9.115 2.061 1.00 0.00 O ATOM 145 CB ARG A 11 -13.701 10.968 2.740 1.00 0.00 C ATOM 146 CG ARG A 11 -13.021 12.324 2.845 1.00 0.00 C ATOM 147 CD ARG A 11 -11.575 12.210 3.306 1.00 0.00 C ATOM 148 NE ARG A 11 -11.470 11.754 4.690 1.00 0.00 N ATOM 149 CZ ARG A 11 -11.279 12.564 5.731 1.00 0.00 C ATOM 150 NH1 ARG A 11 -11.216 13.879 5.557 1.00 0.00 N ATOM 151 NH2 ARG A 11 -11.178 12.050 6.950 1.00 0.00 N ATOM 0 H ARG A 11 -15.204 9.721 1.254 1.00 0.00 H new ATOM 0 HA ARG A 11 -12.594 10.725 0.914 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -14.772 11.118 2.608 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -13.568 10.431 3.679 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -13.053 12.820 1.875 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -13.574 12.953 3.543 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -11.042 11.516 2.656 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -11.087 13.179 3.207 1.00 0.00 H new ATOM 0 HE ARG A 11 -11.548 10.753 4.871 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -11.314 14.275 4.622 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -11.070 14.493 6.358 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -11.247 11.041 7.085 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -11.032 12.663 7.752 1.00 0.00 H new ATOM 165 N LYS A 12 -12.871 7.948 2.670 1.00 0.00 N ATOM 166 CA LYS A 12 -12.118 6.831 3.237 1.00 0.00 C ATOM 167 C LYS A 12 -11.188 6.204 2.207 1.00 0.00 C ATOM 168 O LYS A 12 -9.969 6.210 2.376 1.00 0.00 O ATOM 169 CB LYS A 12 -13.063 5.754 3.781 1.00 0.00 C ATOM 170 CG LYS A 12 -13.854 6.176 5.011 1.00 0.00 C ATOM 171 CD LYS A 12 -14.822 5.088 5.457 1.00 0.00 C ATOM 172 CE LYS A 12 -14.092 3.812 5.840 1.00 0.00 C ATOM 173 NZ LYS A 12 -15.032 2.738 6.257 1.00 0.00 N ATOM 0 H LYS A 12 -13.884 7.840 2.723 1.00 0.00 H new ATOM 0 HA LYS A 12 -11.518 7.234 4.053 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -13.762 5.470 2.994 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -12.480 4.866 4.026 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -13.166 6.407 5.824 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -14.408 7.089 4.792 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -15.404 5.444 6.307 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -15.528 4.877 4.654 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -13.498 3.466 4.994 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -13.397 4.022 6.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -14.494 1.885 6.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -15.581 3.058 7.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -15.679 2.519 5.473 1.00 0.00 H new ATOM 187 N ILE A 13 -11.758 5.684 1.128 1.00 0.00 N ATOM 188 CA ILE A 13 -10.983 4.926 0.159 1.00 0.00 C ATOM 189 C ILE A 13 -9.991 5.808 -0.592 1.00 0.00 C ATOM 190 O ILE A 13 -8.896 5.361 -0.929 1.00 0.00 O ATOM 191 CB ILE A 13 -11.887 4.147 -0.838 1.00 0.00 C ATOM 192 CG1 ILE A 13 -12.871 5.074 -1.569 1.00 0.00 C ATOM 193 CG2 ILE A 13 -12.646 3.049 -0.108 1.00 0.00 C ATOM 194 CD1 ILE A 13 -12.336 5.656 -2.862 1.00 0.00 C ATOM 0 H ILE A 13 -12.749 5.773 0.904 1.00 0.00 H new ATOM 0 HA ILE A 13 -10.415 4.193 0.731 1.00 0.00 H new ATOM 0 HB ILE A 13 -11.237 3.701 -1.590 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -13.784 4.518 -1.785 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -13.145 5.892 -0.902 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -13.276 2.510 -0.816 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -11.937 2.357 0.347 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -13.270 3.492 0.668 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -13.093 6.298 -3.313 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -11.441 6.242 -2.654 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -12.089 4.848 -3.550 1.00 0.00 H new ATOM 206 N ARG A 14 -10.347 7.065 -0.829 1.00 0.00 N ATOM 207 CA ARG A 14 -9.489 7.943 -1.614 1.00 0.00 C ATOM 208 C ARG A 14 -8.291 8.410 -0.791 1.00 0.00 C ATOM 209 O ARG A 14 -7.180 8.518 -1.311 1.00 0.00 O ATOM 210 CB ARG A 14 -10.277 9.140 -2.153 1.00 0.00 C ATOM 211 CG ARG A 14 -9.645 9.786 -3.382 1.00 0.00 C ATOM 212 CD ARG A 14 -9.408 8.761 -4.481 1.00 0.00 C ATOM 213 NE ARG A 14 -9.025 9.376 -5.755 1.00 0.00 N ATOM 214 CZ ARG A 14 -7.907 9.092 -6.425 1.00 0.00 C ATOM 215 NH1 ARG A 14 -7.012 8.257 -5.913 1.00 0.00 N ATOM 216 NH2 ARG A 14 -7.696 9.642 -7.615 1.00 0.00 N ATOM 0 H ARG A 14 -11.210 7.494 -0.495 1.00 0.00 H new ATOM 0 HA ARG A 14 -9.115 7.374 -2.465 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -11.287 8.816 -2.403 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -10.368 9.889 -1.366 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -10.294 10.579 -3.754 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -8.699 10.252 -3.105 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -8.626 8.071 -4.166 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -10.314 8.172 -4.624 1.00 0.00 H new ATOM 0 HE ARG A 14 -9.657 10.069 -6.157 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -7.177 7.828 -5.002 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -6.159 8.044 -6.430 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -8.387 10.278 -8.013 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -6.843 9.428 -8.132 1.00 0.00 H new ATOM 230 N SER A 15 -8.511 8.662 0.497 1.00 0.00 N ATOM 231 CA SER A 15 -7.426 9.071 1.381 1.00 0.00 C ATOM 232 C SER A 15 -6.461 7.910 1.598 1.00 0.00 C ATOM 233 O SER A 15 -5.244 8.100 1.632 1.00 0.00 O ATOM 234 CB SER A 15 -7.969 9.583 2.722 1.00 0.00 C ATOM 235 OG SER A 15 -8.800 8.622 3.350 1.00 0.00 O ATOM 0 H SER A 15 -9.423 8.591 0.948 1.00 0.00 H new ATOM 0 HA SER A 15 -6.887 9.891 0.906 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.137 9.831 3.381 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.533 10.502 2.560 1.00 0.00 H new ATOM 0 HG SER A 15 -9.739 8.826 3.158 1.00 0.00 H new ATOM 241 N LEU A 16 -7.011 6.705 1.728 1.00 0.00 N ATOM 242 CA LEU A 16 -6.194 5.507 1.881 1.00 0.00 C ATOM 243 C LEU A 16 -5.327 5.298 0.646 1.00 0.00 C ATOM 244 O LEU A 16 -4.132 5.040 0.757 1.00 0.00 O ATOM 245 CB LEU A 16 -7.070 4.272 2.120 1.00 0.00 C ATOM 246 CG LEU A 16 -7.860 4.277 3.433 1.00 0.00 C ATOM 247 CD1 LEU A 16 -8.727 3.033 3.538 1.00 0.00 C ATOM 248 CD2 LEU A 16 -6.914 4.368 4.622 1.00 0.00 C ATOM 0 H LEU A 16 -8.017 6.534 1.730 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.551 5.646 2.750 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -7.773 4.179 1.292 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -6.435 3.386 2.100 1.00 0.00 H new ATOM 0 HG LEU A 16 -8.510 5.152 3.441 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -9.281 3.054 4.477 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -9.428 3.007 2.704 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -8.095 2.145 3.509 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -7.491 4.370 5.547 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -6.240 3.511 4.617 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -6.333 5.287 4.555 1.00 0.00 H new ATOM 260 N GLN A 17 -5.936 5.436 -0.530 1.00 0.00 N ATOM 261 CA GLN A 17 -5.215 5.310 -1.795 1.00 0.00 C ATOM 262 C GLN A 17 -4.057 6.301 -1.868 1.00 0.00 C ATOM 263 O GLN A 17 -2.941 5.930 -2.217 1.00 0.00 O ATOM 264 CB GLN A 17 -6.164 5.535 -2.975 1.00 0.00 C ATOM 265 CG GLN A 17 -7.135 4.392 -3.204 1.00 0.00 C ATOM 266 CD GLN A 17 -8.183 4.717 -4.249 1.00 0.00 C ATOM 267 OE1 GLN A 17 -7.946 5.508 -5.160 1.00 0.00 O ATOM 268 NE2 GLN A 17 -9.349 4.105 -4.127 1.00 0.00 N ATOM 0 H GLN A 17 -6.931 5.636 -0.633 1.00 0.00 H new ATOM 0 HA GLN A 17 -4.809 4.300 -1.849 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -6.729 6.452 -2.806 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -5.575 5.686 -3.880 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -6.581 3.506 -3.514 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -7.629 4.146 -2.264 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -9.506 3.455 -3.356 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -10.091 4.283 -4.804 1.00 0.00 H new ATOM 277 N GLU A 18 -4.333 7.557 -1.531 1.00 0.00 N ATOM 278 CA GLU A 18 -3.306 8.596 -1.519 1.00 0.00 C ATOM 279 C GLU A 18 -2.185 8.251 -0.546 1.00 0.00 C ATOM 280 O GLU A 18 -1.016 8.218 -0.930 1.00 0.00 O ATOM 281 CB GLU A 18 -3.917 9.949 -1.152 1.00 0.00 C ATOM 282 CG GLU A 18 -4.583 10.652 -2.321 1.00 0.00 C ATOM 283 CD GLU A 18 -3.582 11.334 -3.233 1.00 0.00 C ATOM 284 OE1 GLU A 18 -2.561 10.710 -3.594 1.00 0.00 O ATOM 285 OE2 GLU A 18 -3.810 12.508 -3.594 1.00 0.00 O ATOM 0 H GLU A 18 -5.262 7.882 -1.262 1.00 0.00 H new ATOM 0 HA GLU A 18 -2.883 8.657 -2.522 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.652 9.804 -0.360 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.136 10.593 -0.748 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -5.159 9.928 -2.896 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -5.288 11.392 -1.942 1.00 0.00 H new ATOM 292 N GLN A 19 -2.547 7.985 0.704 1.00 0.00 N ATOM 293 CA GLN A 19 -1.568 7.647 1.731 1.00 0.00 C ATOM 294 C GLN A 19 -0.723 6.455 1.287 1.00 0.00 C ATOM 295 O GLN A 19 0.505 6.498 1.345 1.00 0.00 O ATOM 296 CB GLN A 19 -2.275 7.324 3.055 1.00 0.00 C ATOM 297 CG GLN A 19 -1.320 7.073 4.213 1.00 0.00 C ATOM 298 CD GLN A 19 -0.544 8.315 4.608 1.00 0.00 C ATOM 299 OE1 GLN A 19 0.529 8.593 4.071 1.00 0.00 O ATOM 300 NE2 GLN A 19 -1.075 9.062 5.563 1.00 0.00 N ATOM 0 H GLN A 19 -3.513 7.997 1.031 1.00 0.00 H new ATOM 0 HA GLN A 19 -0.914 8.506 1.881 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -2.937 8.150 3.314 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -2.903 6.444 2.916 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -1.884 6.713 5.073 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -0.620 6.284 3.938 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -1.966 8.796 5.982 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -0.593 9.903 5.880 1.00 0.00 H new ATOM 309 N ASN A 20 -1.394 5.413 0.811 1.00 0.00 N ATOM 310 CA ASN A 20 -0.726 4.195 0.366 1.00 0.00 C ATOM 311 C ASN A 20 0.204 4.469 -0.804 1.00 0.00 C ATOM 312 O ASN A 20 1.360 4.067 -0.775 1.00 0.00 O ATOM 313 CB ASN A 20 -1.756 3.133 -0.025 1.00 0.00 C ATOM 314 CG ASN A 20 -2.318 2.387 1.172 1.00 0.00 C ATOM 315 OD1 ASN A 20 -2.281 3.015 2.340 1.00 0.00 O flip ATOM 316 ND2 ASN A 20 -2.779 1.256 1.047 1.00 0.00 N flip ATOM 0 H ASN A 20 -2.410 5.387 0.723 1.00 0.00 H new ATOM 0 HA ASN A 20 -0.127 3.824 1.198 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -2.573 3.609 -0.567 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -1.294 2.420 -0.707 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -2.789 0.808 0.131 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -3.152 0.765 1.859 1.00 0.00 H new ATOM 323 N TYR A 21 -0.296 5.165 -1.816 1.00 0.00 N ATOM 324 CA TYR A 21 0.495 5.477 -3.004 1.00 0.00 C ATOM 325 C TYR A 21 1.780 6.217 -2.633 1.00 0.00 C ATOM 326 O TYR A 21 2.856 5.908 -3.145 1.00 0.00 O ATOM 327 CB TYR A 21 -0.332 6.315 -3.983 1.00 0.00 C ATOM 328 CG TYR A 21 0.410 6.705 -5.249 1.00 0.00 C ATOM 329 CD1 TYR A 21 0.503 5.824 -6.320 1.00 0.00 C ATOM 330 CD2 TYR A 21 1.016 7.949 -5.370 1.00 0.00 C ATOM 331 CE1 TYR A 21 1.178 6.175 -7.476 1.00 0.00 C ATOM 332 CE2 TYR A 21 1.690 8.307 -6.522 1.00 0.00 C ATOM 333 CZ TYR A 21 1.769 7.418 -7.571 1.00 0.00 C ATOM 334 OH TYR A 21 2.446 7.772 -8.718 1.00 0.00 O ATOM 0 H TYR A 21 -1.249 5.527 -1.840 1.00 0.00 H new ATOM 0 HA TYR A 21 0.772 4.538 -3.482 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.226 5.756 -4.257 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -0.665 7.221 -3.477 1.00 0.00 H new ATOM 0 HD1 TYR A 21 0.041 4.850 -6.249 1.00 0.00 H new ATOM 0 HD2 TYR A 21 0.959 8.649 -4.549 1.00 0.00 H new ATOM 0 HE1 TYR A 21 1.242 5.479 -8.300 1.00 0.00 H new ATOM 0 HE2 TYR A 21 2.153 9.280 -6.599 1.00 0.00 H new ATOM 0 HH TYR A 21 2.801 8.680 -8.621 1.00 0.00 H new ATOM 344 N HIS A 22 1.665 7.183 -1.727 1.00 0.00 N ATOM 345 CA HIS A 22 2.811 7.994 -1.333 1.00 0.00 C ATOM 346 C HIS A 22 3.803 7.156 -0.534 1.00 0.00 C ATOM 347 O HIS A 22 5.013 7.241 -0.748 1.00 0.00 O ATOM 348 CB HIS A 22 2.378 9.207 -0.498 1.00 0.00 C ATOM 349 CG HIS A 22 1.342 10.077 -1.150 1.00 0.00 C ATOM 350 ND1 HIS A 22 0.635 11.033 -0.462 1.00 0.00 N ATOM 351 CD2 HIS A 22 0.870 10.106 -2.420 1.00 0.00 C ATOM 352 CE1 HIS A 22 -0.229 11.608 -1.274 1.00 0.00 C ATOM 353 NE2 HIS A 22 -0.114 11.065 -2.472 1.00 0.00 N ATOM 0 H HIS A 22 0.794 7.422 -1.254 1.00 0.00 H new ATOM 0 HA HIS A 22 3.288 8.354 -2.244 1.00 0.00 H new ATOM 0 HB2 HIS A 22 1.988 8.854 0.457 1.00 0.00 H new ATOM 0 HB3 HIS A 22 3.257 9.813 -0.279 1.00 0.00 H new ATOM 0 HD2 HIS A 22 1.205 9.489 -3.241 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -0.918 12.394 -1.004 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -0.662 11.314 -3.296 1.00 0.00 H new ATOM 362 N LEU A 23 3.281 6.341 0.380 1.00 0.00 N ATOM 363 CA LEU A 23 4.121 5.483 1.209 1.00 0.00 C ATOM 364 C LEU A 23 4.741 4.364 0.382 1.00 0.00 C ATOM 365 O LEU A 23 5.885 3.981 0.607 1.00 0.00 O ATOM 366 CB LEU A 23 3.313 4.892 2.369 1.00 0.00 C ATOM 367 CG LEU A 23 2.797 5.910 3.390 1.00 0.00 C ATOM 368 CD1 LEU A 23 1.962 5.217 4.454 1.00 0.00 C ATOM 369 CD2 LEU A 23 3.956 6.662 4.028 1.00 0.00 C ATOM 0 H LEU A 23 2.281 6.257 0.564 1.00 0.00 H new ATOM 0 HA LEU A 23 4.924 6.097 1.617 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.461 4.350 1.958 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.934 4.163 2.889 1.00 0.00 H new ATOM 0 HG LEU A 23 2.166 6.630 2.870 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.603 5.954 5.172 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.111 4.723 3.984 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.572 4.476 4.970 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.570 7.381 4.751 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.613 5.955 4.535 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.517 7.189 3.256 1.00 0.00 H new ATOM 381 N GLU A 24 3.980 3.846 -0.577 1.00 0.00 N ATOM 382 CA GLU A 24 4.473 2.810 -1.476 1.00 0.00 C ATOM 383 C GLU A 24 5.666 3.341 -2.263 1.00 0.00 C ATOM 384 O GLU A 24 6.661 2.643 -2.461 1.00 0.00 O ATOM 385 CB GLU A 24 3.359 2.369 -2.431 1.00 0.00 C ATOM 386 CG GLU A 24 3.629 1.042 -3.123 1.00 0.00 C ATOM 387 CD GLU A 24 2.590 0.703 -4.175 1.00 0.00 C ATOM 388 OE1 GLU A 24 1.407 0.509 -3.821 1.00 0.00 O ATOM 389 OE2 GLU A 24 2.950 0.641 -5.370 1.00 0.00 O ATOM 0 H GLU A 24 3.016 4.129 -0.751 1.00 0.00 H new ATOM 0 HA GLU A 24 4.790 1.947 -0.891 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.425 2.293 -1.874 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.217 3.140 -3.188 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.614 1.075 -3.589 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.656 0.248 -2.377 1.00 0.00 H new ATOM 396 N ASN A 25 5.559 4.592 -2.699 1.00 0.00 N ATOM 397 CA ASN A 25 6.662 5.266 -3.372 1.00 0.00 C ATOM 398 C ASN A 25 7.854 5.412 -2.436 1.00 0.00 C ATOM 399 O ASN A 25 8.994 5.171 -2.828 1.00 0.00 O ATOM 400 CB ASN A 25 6.226 6.648 -3.877 1.00 0.00 C ATOM 401 CG ASN A 25 7.391 7.484 -4.386 1.00 0.00 C ATOM 402 OD1 ASN A 25 8.004 8.246 -3.632 1.00 0.00 O ATOM 403 ND2 ASN A 25 7.706 7.355 -5.666 1.00 0.00 N ATOM 0 H ASN A 25 4.718 5.160 -2.598 1.00 0.00 H new ATOM 0 HA ASN A 25 6.957 4.656 -4.226 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.497 6.524 -4.678 1.00 0.00 H new ATOM 0 HB3 ASN A 25 5.726 7.183 -3.070 1.00 0.00 H new ATOM 0 HD21 ASN A 25 8.477 7.895 -6.058 1.00 0.00 H new ATOM 0 HD22 ASN A 25 7.177 6.716 -6.259 1.00 0.00 H new ATOM 410 N GLU A 26 7.584 5.790 -1.191 1.00 0.00 N ATOM 411 CA GLU A 26 8.644 6.038 -0.219 1.00 0.00 C ATOM 412 C GLU A 26 9.360 4.746 0.175 1.00 0.00 C ATOM 413 O GLU A 26 10.589 4.711 0.234 1.00 0.00 O ATOM 414 CB GLU A 26 8.079 6.728 1.022 1.00 0.00 C ATOM 415 CG GLU A 26 9.150 7.159 2.011 1.00 0.00 C ATOM 416 CD GLU A 26 8.600 8.021 3.124 1.00 0.00 C ATOM 417 OE1 GLU A 26 8.306 9.207 2.868 1.00 0.00 O ATOM 418 OE2 GLU A 26 8.481 7.529 4.263 1.00 0.00 O ATOM 0 H GLU A 26 6.640 5.931 -0.831 1.00 0.00 H new ATOM 0 HA GLU A 26 9.376 6.695 -0.690 1.00 0.00 H new ATOM 0 HB2 GLU A 26 7.506 7.603 0.714 1.00 0.00 H new ATOM 0 HB3 GLU A 26 7.385 6.052 1.521 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.620 6.274 2.440 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.928 7.709 1.482 1.00 0.00 H new ATOM 425 N VAL A 27 8.601 3.686 0.437 1.00 0.00 N ATOM 426 CA VAL A 27 9.196 2.411 0.823 1.00 0.00 C ATOM 427 C VAL A 27 9.995 1.818 -0.341 1.00 0.00 C ATOM 428 O VAL A 27 11.054 1.217 -0.140 1.00 0.00 O ATOM 429 CB VAL A 27 8.137 1.396 1.337 1.00 0.00 C ATOM 430 CG1 VAL A 27 7.169 0.986 0.239 1.00 0.00 C ATOM 431 CG2 VAL A 27 8.813 0.171 1.941 1.00 0.00 C ATOM 0 H VAL A 27 7.582 3.684 0.390 1.00 0.00 H new ATOM 0 HA VAL A 27 9.874 2.610 1.653 1.00 0.00 H new ATOM 0 HB VAL A 27 7.559 1.894 2.115 1.00 0.00 H new ATOM 0 HG11 VAL A 27 6.445 0.276 0.639 1.00 0.00 H new ATOM 0 HG12 VAL A 27 6.646 1.867 -0.133 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.721 0.520 -0.577 1.00 0.00 H new ATOM 0 HG21 VAL A 27 8.054 -0.526 2.294 1.00 0.00 H new ATOM 0 HG22 VAL A 27 9.428 -0.315 1.184 1.00 0.00 H new ATOM 0 HG23 VAL A 27 9.441 0.477 2.777 1.00 0.00 H new ATOM 441 N ALA A 28 9.497 2.014 -1.563 1.00 0.00 N ATOM 442 CA ALA A 28 10.222 1.594 -2.753 1.00 0.00 C ATOM 443 C ALA A 28 11.470 2.449 -2.936 1.00 0.00 C ATOM 444 O ALA A 28 12.527 1.952 -3.306 1.00 0.00 O ATOM 445 CB ALA A 28 9.329 1.675 -3.983 1.00 0.00 C ATOM 0 H ALA A 28 8.598 2.459 -1.749 1.00 0.00 H new ATOM 0 HA ALA A 28 10.528 0.556 -2.626 1.00 0.00 H new ATOM 0 HB1 ALA A 28 9.890 1.357 -4.862 1.00 0.00 H new ATOM 0 HB2 ALA A 28 8.465 1.024 -3.849 1.00 0.00 H new ATOM 0 HB3 ALA A 28 8.991 2.702 -4.121 1.00 0.00 H new ATOM 451 N ARG A 29 11.330 3.737 -2.651 1.00 0.00 N ATOM 452 CA ARG A 29 12.445 4.678 -2.707 1.00 0.00 C ATOM 453 C ARG A 29 13.550 4.249 -1.746 1.00 0.00 C ATOM 454 O ARG A 29 14.731 4.247 -2.096 1.00 0.00 O ATOM 455 CB ARG A 29 11.955 6.075 -2.329 1.00 0.00 C ATOM 456 CG ARG A 29 13.006 7.163 -2.452 1.00 0.00 C ATOM 457 CD ARG A 29 12.552 8.437 -1.757 1.00 0.00 C ATOM 458 NE ARG A 29 11.191 8.820 -2.139 1.00 0.00 N ATOM 459 CZ ARG A 29 10.479 9.763 -1.521 1.00 0.00 C ATOM 460 NH1 ARG A 29 11.012 10.453 -0.520 1.00 0.00 N ATOM 461 NH2 ARG A 29 9.237 10.024 -1.905 1.00 0.00 N ATOM 0 H ARG A 29 10.444 4.160 -2.375 1.00 0.00 H new ATOM 0 HA ARG A 29 12.844 4.691 -3.721 1.00 0.00 H new ATOM 0 HB2 ARG A 29 11.107 6.333 -2.963 1.00 0.00 H new ATOM 0 HB3 ARG A 29 11.591 6.053 -1.302 1.00 0.00 H new ATOM 0 HG2 ARG A 29 13.944 6.820 -2.015 1.00 0.00 H new ATOM 0 HG3 ARG A 29 13.202 7.368 -3.505 1.00 0.00 H new ATOM 0 HD2 ARG A 29 12.599 8.296 -0.677 1.00 0.00 H new ATOM 0 HD3 ARG A 29 13.238 9.247 -2.003 1.00 0.00 H new ATOM 0 HE ARG A 29 10.761 8.335 -2.927 1.00 0.00 H new ATOM 0 HH11 ARG A 29 11.969 10.262 -0.222 1.00 0.00 H new ATOM 0 HH12 ARG A 29 10.465 11.174 -0.049 1.00 0.00 H new ATOM 0 HH21 ARG A 29 8.822 9.502 -2.677 1.00 0.00 H new ATOM 0 HH22 ARG A 29 8.697 10.746 -1.429 1.00 0.00 H new ATOM 475 N LEU A 30 13.149 3.884 -0.531 1.00 0.00 N ATOM 476 CA LEU A 30 14.088 3.464 0.500 1.00 0.00 C ATOM 477 C LEU A 30 14.835 2.202 0.073 1.00 0.00 C ATOM 478 O LEU A 30 16.061 2.137 0.168 1.00 0.00 O ATOM 479 CB LEU A 30 13.354 3.222 1.825 1.00 0.00 C ATOM 480 CG LEU A 30 14.248 2.838 3.003 1.00 0.00 C ATOM 481 CD1 LEU A 30 15.233 3.953 3.321 1.00 0.00 C ATOM 482 CD2 LEU A 30 13.403 2.505 4.222 1.00 0.00 C ATOM 0 H LEU A 30 12.172 3.872 -0.237 1.00 0.00 H new ATOM 0 HA LEU A 30 14.816 4.263 0.642 1.00 0.00 H new ATOM 0 HB2 LEU A 30 12.803 4.125 2.087 1.00 0.00 H new ATOM 0 HB3 LEU A 30 12.618 2.432 1.675 1.00 0.00 H new ATOM 0 HG LEU A 30 14.819 1.952 2.725 1.00 0.00 H new ATOM 0 HD11 LEU A 30 15.859 3.657 4.163 1.00 0.00 H new ATOM 0 HD12 LEU A 30 15.862 4.142 2.451 1.00 0.00 H new ATOM 0 HD13 LEU A 30 14.686 4.860 3.577 1.00 0.00 H new ATOM 0 HD21 LEU A 30 14.054 2.233 5.053 1.00 0.00 H new ATOM 0 HD22 LEU A 30 12.805 3.373 4.498 1.00 0.00 H new ATOM 0 HD23 LEU A 30 12.743 1.669 3.990 1.00 0.00 H new ATOM 494 N LYS A 31 14.099 1.208 -0.417 1.00 0.00 N ATOM 495 CA LYS A 31 14.713 -0.053 -0.810 1.00 0.00 C ATOM 496 C LYS A 31 15.469 0.096 -2.128 1.00 0.00 C ATOM 497 O LYS A 31 16.324 -0.725 -2.457 1.00 0.00 O ATOM 498 CB LYS A 31 13.683 -1.186 -0.875 1.00 0.00 C ATOM 499 CG LYS A 31 12.707 -1.124 -2.040 1.00 0.00 C ATOM 500 CD LYS A 31 11.689 -2.247 -1.929 1.00 0.00 C ATOM 501 CE LYS A 31 10.868 -2.419 -3.194 1.00 0.00 C ATOM 502 NZ LYS A 31 9.861 -3.502 -3.035 1.00 0.00 N ATOM 0 H LYS A 31 13.089 1.251 -0.550 1.00 0.00 H new ATOM 0 HA LYS A 31 15.437 -0.324 -0.041 1.00 0.00 H new ATOM 0 HB2 LYS A 31 14.217 -2.135 -0.922 1.00 0.00 H new ATOM 0 HB3 LYS A 31 13.112 -1.187 0.054 1.00 0.00 H new ATOM 0 HG2 LYS A 31 12.198 -0.160 -2.047 1.00 0.00 H new ATOM 0 HG3 LYS A 31 13.248 -1.205 -2.983 1.00 0.00 H new ATOM 0 HD2 LYS A 31 12.206 -3.180 -1.706 1.00 0.00 H new ATOM 0 HD3 LYS A 31 11.021 -2.045 -1.092 1.00 0.00 H new ATOM 0 HE2 LYS A 31 10.365 -1.483 -3.435 1.00 0.00 H new ATOM 0 HE3 LYS A 31 11.527 -2.651 -4.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 9.313 -3.599 -3.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 10.345 -4.399 -2.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 9.219 -3.267 -2.251 1.00 0.00 H new ATOM 516 N LYS A 32 15.147 1.138 -2.879 1.00 0.00 N ATOM 517 CA LYS A 32 15.937 1.515 -4.044 1.00 0.00 C ATOM 518 C LYS A 32 17.291 2.051 -3.590 1.00 0.00 C ATOM 519 O LYS A 32 18.334 1.656 -4.109 1.00 0.00 O ATOM 520 CB LYS A 32 15.192 2.574 -4.868 1.00 0.00 C ATOM 521 CG LYS A 32 16.038 3.245 -5.944 1.00 0.00 C ATOM 522 CD LYS A 32 16.420 2.286 -7.062 1.00 0.00 C ATOM 523 CE LYS A 32 17.354 2.952 -8.063 1.00 0.00 C ATOM 524 NZ LYS A 32 17.686 2.061 -9.208 1.00 0.00 N ATOM 0 H LYS A 32 14.342 1.740 -2.703 1.00 0.00 H new ATOM 0 HA LYS A 32 16.094 0.638 -4.672 1.00 0.00 H new ATOM 0 HB2 LYS A 32 14.328 2.107 -5.341 1.00 0.00 H new ATOM 0 HB3 LYS A 32 14.811 3.340 -4.193 1.00 0.00 H new ATOM 0 HG2 LYS A 32 15.487 4.087 -6.363 1.00 0.00 H new ATOM 0 HG3 LYS A 32 16.943 3.650 -5.491 1.00 0.00 H new ATOM 0 HD2 LYS A 32 16.904 1.405 -6.640 1.00 0.00 H new ATOM 0 HD3 LYS A 32 15.521 1.942 -7.573 1.00 0.00 H new ATOM 0 HE2 LYS A 32 16.890 3.864 -8.438 1.00 0.00 H new ATOM 0 HE3 LYS A 32 18.273 3.247 -7.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 18.324 2.559 -9.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 18.154 1.202 -8.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 16.813 1.799 -9.709 1.00 0.00 H new ATOM 538 N LEU A 33 17.259 2.932 -2.596 1.00 0.00 N ATOM 539 CA LEU A 33 18.468 3.556 -2.071 1.00 0.00 C ATOM 540 C LEU A 33 19.373 2.526 -1.396 1.00 0.00 C ATOM 541 O LEU A 33 20.585 2.517 -1.611 1.00 0.00 O ATOM 542 CB LEU A 33 18.100 4.663 -1.077 1.00 0.00 C ATOM 543 CG LEU A 33 19.283 5.447 -0.497 1.00 0.00 C ATOM 544 CD1 LEU A 33 20.024 6.189 -1.599 1.00 0.00 C ATOM 545 CD2 LEU A 33 18.800 6.417 0.572 1.00 0.00 C ATOM 0 H LEU A 33 16.400 3.232 -2.134 1.00 0.00 H new ATOM 0 HA LEU A 33 19.015 3.991 -2.908 1.00 0.00 H new ATOM 0 HB2 LEU A 33 17.429 5.365 -1.573 1.00 0.00 H new ATOM 0 HB3 LEU A 33 17.543 4.217 -0.253 1.00 0.00 H new ATOM 0 HG LEU A 33 19.975 4.742 -0.037 1.00 0.00 H new ATOM 0 HD11 LEU A 33 20.860 6.740 -1.168 1.00 0.00 H new ATOM 0 HD12 LEU A 33 20.399 5.474 -2.331 1.00 0.00 H new ATOM 0 HD13 LEU A 33 19.344 6.886 -2.089 1.00 0.00 H new ATOM 0 HD21 LEU A 33 19.650 6.967 0.975 1.00 0.00 H new ATOM 0 HD22 LEU A 33 18.090 7.118 0.133 1.00 0.00 H new ATOM 0 HD23 LEU A 33 18.314 5.862 1.374 1.00 0.00 H new ATOM 557 N VAL A 34 18.782 1.654 -0.587 1.00 0.00 N ATOM 558 CA VAL A 34 19.549 0.625 0.105 1.00 0.00 C ATOM 559 C VAL A 34 19.842 -0.548 -0.835 1.00 0.00 C ATOM 560 O VAL A 34 20.772 -1.325 -0.611 1.00 0.00 O ATOM 561 CB VAL A 34 18.818 0.126 1.377 1.00 0.00 C ATOM 562 CG1 VAL A 34 17.589 -0.696 1.022 1.00 0.00 C ATOM 563 CG2 VAL A 34 19.758 -0.669 2.268 1.00 0.00 C ATOM 0 H VAL A 34 17.780 1.639 -0.395 1.00 0.00 H new ATOM 0 HA VAL A 34 20.492 1.072 0.418 1.00 0.00 H new ATOM 0 HB VAL A 34 18.484 1.004 1.931 1.00 0.00 H new ATOM 0 HG11 VAL A 34 17.099 -1.031 1.936 1.00 0.00 H new ATOM 0 HG12 VAL A 34 16.897 -0.085 0.443 1.00 0.00 H new ATOM 0 HG13 VAL A 34 17.889 -1.562 0.433 1.00 0.00 H new ATOM 0 HG21 VAL A 34 19.220 -1.008 3.154 1.00 0.00 H new ATOM 0 HG22 VAL A 34 20.135 -1.533 1.720 1.00 0.00 H new ATOM 0 HG23 VAL A 34 20.594 -0.038 2.570 1.00 0.00 H new ATOM 573 N GLY A 35 19.049 -0.662 -1.894 1.00 0.00 N ATOM 574 CA GLY A 35 19.272 -1.697 -2.882 1.00 0.00 C ATOM 575 C GLY A 35 20.475 -1.398 -3.748 1.00 0.00 C ATOM 576 O GLY A 35 21.281 -2.285 -4.027 1.00 0.00 O ATOM 0 H GLY A 35 18.253 -0.053 -2.085 1.00 0.00 H new ATOM 0 HA2 GLY A 35 19.415 -2.654 -2.380 1.00 0.00 H new ATOM 0 HA3 GLY A 35 18.387 -1.796 -3.511 1.00 0.00 H new ATOM 580 N GLU A 36 20.590 -0.150 -4.171 1.00 0.00 N ATOM 581 CA GLU A 36 21.741 0.295 -4.938 1.00 0.00 C ATOM 582 C GLU A 36 22.962 0.393 -4.037 1.00 0.00 C ATOM 583 O GLU A 36 23.011 1.219 -3.124 1.00 0.00 O ATOM 584 CB GLU A 36 21.465 1.650 -5.592 1.00 0.00 C ATOM 585 CG GLU A 36 20.452 1.586 -6.717 1.00 0.00 C ATOM 586 CD GLU A 36 20.931 0.741 -7.876 1.00 0.00 C ATOM 587 OE1 GLU A 36 21.609 1.284 -8.769 1.00 0.00 O ATOM 588 OE2 GLU A 36 20.612 -0.465 -7.910 1.00 0.00 O ATOM 0 H GLU A 36 19.896 0.576 -3.995 1.00 0.00 H new ATOM 0 HA GLU A 36 21.933 -0.435 -5.724 1.00 0.00 H new ATOM 0 HB2 GLU A 36 21.108 2.345 -4.832 1.00 0.00 H new ATOM 0 HB3 GLU A 36 22.400 2.054 -5.979 1.00 0.00 H new ATOM 0 HG2 GLU A 36 19.515 1.178 -6.336 1.00 0.00 H new ATOM 0 HG3 GLU A 36 20.240 2.595 -7.070 1.00 0.00 H new ATOM 595 N ARG A 37 23.935 -0.459 -4.287 1.00 0.00 N ATOM 596 CA ARG A 37 25.152 -0.478 -3.504 1.00 0.00 C ATOM 597 C ARG A 37 26.352 -0.307 -4.424 1.00 0.00 C ATOM 598 O ARG A 37 26.911 -1.326 -4.874 1.00 0.00 O ATOM 599 CB ARG A 37 25.242 -1.791 -2.725 1.00 0.00 C ATOM 600 CG ARG A 37 26.444 -1.888 -1.805 1.00 0.00 C ATOM 601 CD ARG A 37 26.501 -3.248 -1.138 1.00 0.00 C ATOM 602 NE ARG A 37 27.685 -3.412 -0.302 1.00 0.00 N ATOM 603 CZ ARG A 37 28.140 -4.596 0.100 1.00 0.00 C ATOM 604 NH1 ARG A 37 27.512 -5.708 -0.262 1.00 0.00 N ATOM 605 NH2 ARG A 37 29.218 -4.675 0.865 1.00 0.00 N ATOM 606 OXT ARG A 37 26.712 0.851 -4.719 1.00 0.00 O ATOM 0 H ARG A 37 23.905 -1.153 -5.034 1.00 0.00 H new ATOM 0 HA ARG A 37 25.145 0.345 -2.790 1.00 0.00 H new ATOM 0 HB2 ARG A 37 24.335 -1.912 -2.133 1.00 0.00 H new ATOM 0 HB3 ARG A 37 25.273 -2.619 -3.433 1.00 0.00 H new ATOM 0 HG2 ARG A 37 27.358 -1.718 -2.374 1.00 0.00 H new ATOM 0 HG3 ARG A 37 26.391 -1.107 -1.046 1.00 0.00 H new ATOM 0 HD2 ARG A 37 25.608 -3.388 -0.529 1.00 0.00 H new ATOM 0 HD3 ARG A 37 26.490 -4.025 -1.903 1.00 0.00 H new ATOM 0 HE ARG A 37 28.191 -2.575 -0.010 1.00 0.00 H new ATOM 0 HH11 ARG A 37 26.680 -5.656 -0.849 1.00 0.00 H new ATOM 0 HH12 ARG A 37 27.862 -6.615 0.047 1.00 0.00 H new ATOM 0 HH21 ARG A 37 29.705 -3.825 1.150 1.00 0.00 H new ATOM 0 HH22 ARG A 37 29.562 -5.586 1.170 1.00 0.00 H new TER 620 ARG A 37 ATOM 621 N GLY B 0 -26.134 -15.040 0.006 1.00 0.00 N ATOM 622 CA GLY B 0 -26.334 -13.620 -0.367 1.00 0.00 C ATOM 623 C GLY B 0 -25.998 -13.370 -1.821 1.00 0.00 C ATOM 624 O GLY B 0 -25.704 -14.310 -2.561 1.00 0.00 O ATOM 0 H1 GLY B 0 -26.983 -15.394 0.492 1.00 0.00 H new ATOM 0 H2 GLY B 0 -25.965 -15.604 -0.852 1.00 0.00 H new ATOM 0 H3 GLY B 0 -25.313 -15.120 0.640 1.00 0.00 H new ATOM 0 HA2 GLY B 0 -27.370 -13.337 -0.179 1.00 0.00 H new ATOM 0 HA3 GLY B 0 -25.711 -12.987 0.264 1.00 0.00 H new ATOM 627 N ALA B 1 -26.050 -12.112 -2.238 1.00 0.00 N ATOM 628 CA ALA B 1 -25.696 -11.749 -3.602 1.00 0.00 C ATOM 629 C ALA B 1 -24.189 -11.556 -3.720 1.00 0.00 C ATOM 630 O ALA B 1 -23.662 -10.484 -3.428 1.00 0.00 O ATOM 631 CB ALA B 1 -26.437 -10.491 -4.027 1.00 0.00 C ATOM 0 H ALA B 1 -26.334 -11.327 -1.651 1.00 0.00 H new ATOM 0 HA ALA B 1 -25.993 -12.558 -4.269 1.00 0.00 H new ATOM 0 HB1 ALA B 1 -26.161 -10.234 -5.049 1.00 0.00 H new ATOM 0 HB2 ALA B 1 -27.512 -10.667 -3.975 1.00 0.00 H new ATOM 0 HB3 ALA B 1 -26.171 -9.670 -3.362 1.00 0.00 H new ATOM 637 N GLY B 2 -23.501 -12.606 -4.132 1.00 0.00 N ATOM 638 CA GLY B 2 -22.058 -12.562 -4.198 1.00 0.00 C ATOM 639 C GLY B 2 -21.538 -12.805 -5.593 1.00 0.00 C ATOM 640 O GLY B 2 -20.894 -13.819 -5.857 1.00 0.00 O ATOM 0 H GLY B 2 -23.917 -13.491 -4.423 1.00 0.00 H new ATOM 0 HA2 GLY B 2 -21.711 -11.590 -3.848 1.00 0.00 H new ATOM 0 HA3 GLY B 2 -21.643 -13.311 -3.523 1.00 0.00 H new ATOM 644 N SER B 3 -21.825 -11.880 -6.492 1.00 0.00 N ATOM 645 CA SER B 3 -21.356 -11.990 -7.862 1.00 0.00 C ATOM 646 C SER B 3 -20.616 -10.726 -8.302 1.00 0.00 C ATOM 647 O SER B 3 -19.388 -10.694 -8.332 1.00 0.00 O ATOM 648 CB SER B 3 -22.535 -12.285 -8.794 1.00 0.00 C ATOM 649 OG SER B 3 -23.669 -11.496 -8.451 1.00 0.00 O ATOM 0 H SER B 3 -22.379 -11.046 -6.299 1.00 0.00 H new ATOM 0 HA SER B 3 -20.647 -12.816 -7.917 1.00 0.00 H new ATOM 0 HB2 SER B 3 -22.246 -12.083 -9.826 1.00 0.00 H new ATOM 0 HB3 SER B 3 -22.793 -13.342 -8.736 1.00 0.00 H new ATOM 0 HG SER B 3 -24.407 -11.702 -9.062 1.00 0.00 H new ATOM 655 N SER B 4 -21.366 -9.682 -8.615 1.00 0.00 N ATOM 656 CA SER B 4 -20.799 -8.469 -9.150 1.00 0.00 C ATOM 657 C SER B 4 -20.325 -7.557 -8.032 1.00 0.00 C ATOM 658 O SER B 4 -19.234 -7.029 -8.098 1.00 0.00 O ATOM 659 CB SER B 4 -21.835 -7.757 -10.019 1.00 0.00 C ATOM 660 OG SER B 4 -22.387 -8.644 -10.982 1.00 0.00 O ATOM 0 H SER B 4 -22.380 -9.658 -8.504 1.00 0.00 H new ATOM 0 HA SER B 4 -19.935 -8.725 -9.763 1.00 0.00 H new ATOM 0 HB2 SER B 4 -22.630 -7.357 -9.390 1.00 0.00 H new ATOM 0 HB3 SER B 4 -21.371 -6.909 -10.524 1.00 0.00 H new ATOM 0 HG SER B 4 -23.048 -8.167 -11.525 1.00 0.00 H new ATOM 666 N SER B 5 -21.137 -7.405 -6.998 1.00 0.00 N ATOM 667 CA SER B 5 -20.859 -6.452 -5.942 1.00 0.00 C ATOM 668 C SER B 5 -19.937 -7.034 -4.876 1.00 0.00 C ATOM 669 O SER B 5 -18.750 -6.736 -4.866 1.00 0.00 O ATOM 670 CB SER B 5 -22.177 -5.989 -5.327 1.00 0.00 C ATOM 671 OG SER B 5 -23.050 -7.092 -5.124 1.00 0.00 O ATOM 0 H SER B 5 -21.999 -7.935 -6.870 1.00 0.00 H new ATOM 0 HA SER B 5 -20.337 -5.599 -6.375 1.00 0.00 H new ATOM 0 HB2 SER B 5 -21.986 -5.490 -4.377 1.00 0.00 H new ATOM 0 HB3 SER B 5 -22.652 -5.258 -5.981 1.00 0.00 H new ATOM 0 HG SER B 5 -23.889 -6.777 -4.728 1.00 0.00 H new ATOM 677 N LEU B 6 -20.496 -7.903 -4.034 1.00 0.00 N ATOM 678 CA LEU B 6 -19.839 -8.405 -2.833 1.00 0.00 C ATOM 679 C LEU B 6 -18.414 -8.869 -3.089 1.00 0.00 C ATOM 680 O LEU B 6 -17.474 -8.239 -2.633 1.00 0.00 O ATOM 681 CB LEU B 6 -20.654 -9.558 -2.242 1.00 0.00 C ATOM 682 CG LEU B 6 -20.085 -10.181 -0.961 1.00 0.00 C ATOM 683 CD1 LEU B 6 -20.085 -9.168 0.173 1.00 0.00 C ATOM 684 CD2 LEU B 6 -20.874 -11.425 -0.571 1.00 0.00 C ATOM 0 H LEU B 6 -21.433 -8.282 -4.172 1.00 0.00 H new ATOM 0 HA LEU B 6 -19.786 -7.575 -2.129 1.00 0.00 H new ATOM 0 HB2 LEU B 6 -21.662 -9.198 -2.034 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -20.744 -10.340 -2.996 1.00 0.00 H new ATOM 0 HG LEU B 6 -19.054 -10.478 -1.154 1.00 0.00 H new ATOM 0 HD11 LEU B 6 -19.678 -9.629 1.073 1.00 0.00 H new ATOM 0 HD12 LEU B 6 -19.472 -8.311 -0.105 1.00 0.00 H new ATOM 0 HD13 LEU B 6 -21.106 -8.837 0.365 1.00 0.00 H new ATOM 0 HD21 LEU B 6 -20.454 -11.851 0.340 1.00 0.00 H new ATOM 0 HD22 LEU B 6 -21.916 -11.156 -0.399 1.00 0.00 H new ATOM 0 HD23 LEU B 6 -20.817 -12.159 -1.375 1.00 0.00 H new ATOM 696 N GLU B 7 -18.269 -9.948 -3.851 1.00 0.00 N ATOM 697 CA GLU B 7 -17.001 -10.627 -3.987 1.00 0.00 C ATOM 698 C GLU B 7 -15.956 -9.722 -4.606 1.00 0.00 C ATOM 699 O GLU B 7 -14.812 -9.752 -4.193 1.00 0.00 O ATOM 700 CB GLU B 7 -17.163 -11.894 -4.823 1.00 0.00 C ATOM 701 CG GLU B 7 -16.000 -12.858 -4.680 1.00 0.00 C ATOM 702 CD GLU B 7 -15.846 -13.365 -3.260 1.00 0.00 C ATOM 703 OE1 GLU B 7 -16.572 -14.304 -2.879 1.00 0.00 O ATOM 704 OE2 GLU B 7 -14.995 -12.832 -2.515 1.00 0.00 O ATOM 0 H GLU B 7 -19.028 -10.369 -4.386 1.00 0.00 H new ATOM 0 HA GLU B 7 -16.661 -10.902 -2.989 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -18.083 -12.399 -4.530 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -17.271 -11.618 -5.872 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -16.147 -13.704 -5.352 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -15.080 -12.362 -4.988 1.00 0.00 H new ATOM 711 N ALA B 8 -16.367 -8.904 -5.569 1.00 0.00 N ATOM 712 CA ALA B 8 -15.454 -8.028 -6.272 1.00 0.00 C ATOM 713 C ALA B 8 -14.776 -7.082 -5.301 1.00 0.00 C ATOM 714 O ALA B 8 -13.560 -7.071 -5.210 1.00 0.00 O ATOM 715 CB ALA B 8 -16.184 -7.246 -7.354 1.00 0.00 C ATOM 0 H ALA B 8 -17.336 -8.834 -5.878 1.00 0.00 H new ATOM 0 HA ALA B 8 -14.690 -8.642 -6.750 1.00 0.00 H new ATOM 0 HB1 ALA B 8 -15.479 -6.594 -7.870 1.00 0.00 H new ATOM 0 HB2 ALA B 8 -16.626 -7.940 -8.069 1.00 0.00 H new ATOM 0 HB3 ALA B 8 -16.970 -6.643 -6.900 1.00 0.00 H new ATOM 721 N VAL B 9 -15.574 -6.334 -4.546 1.00 0.00 N ATOM 722 CA VAL B 9 -15.059 -5.340 -3.633 1.00 0.00 C ATOM 723 C VAL B 9 -14.281 -6.008 -2.516 1.00 0.00 C ATOM 724 O VAL B 9 -13.231 -5.528 -2.135 1.00 0.00 O ATOM 725 CB VAL B 9 -16.196 -4.482 -3.030 1.00 0.00 C ATOM 726 CG1 VAL B 9 -15.638 -3.398 -2.118 1.00 0.00 C ATOM 727 CG2 VAL B 9 -17.047 -3.868 -4.133 1.00 0.00 C ATOM 0 H VAL B 9 -16.591 -6.405 -4.555 1.00 0.00 H new ATOM 0 HA VAL B 9 -14.397 -4.684 -4.198 1.00 0.00 H new ATOM 0 HB VAL B 9 -16.829 -5.135 -2.429 1.00 0.00 H new ATOM 0 HG11 VAL B 9 -16.459 -2.810 -1.708 1.00 0.00 H new ATOM 0 HG12 VAL B 9 -15.080 -3.860 -1.304 1.00 0.00 H new ATOM 0 HG13 VAL B 9 -14.975 -2.748 -2.689 1.00 0.00 H new ATOM 0 HG21 VAL B 9 -17.841 -3.268 -3.689 1.00 0.00 H new ATOM 0 HG22 VAL B 9 -16.423 -3.234 -4.764 1.00 0.00 H new ATOM 0 HG23 VAL B 9 -17.487 -4.661 -4.738 1.00 0.00 H new ATOM 737 N ARG B 10 -14.786 -7.149 -2.052 1.00 0.00 N ATOM 738 CA ARG B 10 -14.230 -7.853 -0.914 1.00 0.00 C ATOM 739 C ARG B 10 -12.739 -8.105 -1.076 1.00 0.00 C ATOM 740 O ARG B 10 -11.978 -7.767 -0.192 1.00 0.00 O ATOM 741 CB ARG B 10 -14.980 -9.170 -0.680 1.00 0.00 C ATOM 742 CG ARG B 10 -14.410 -10.001 0.461 1.00 0.00 C ATOM 743 CD ARG B 10 -15.458 -10.904 1.086 1.00 0.00 C ATOM 744 NE ARG B 10 -15.992 -11.898 0.157 1.00 0.00 N ATOM 745 CZ ARG B 10 -17.051 -12.662 0.436 1.00 0.00 C ATOM 746 NH1 ARG B 10 -17.714 -12.489 1.577 1.00 0.00 N ATOM 747 NH2 ARG B 10 -17.460 -13.584 -0.426 1.00 0.00 N ATOM 0 H ARG B 10 -15.599 -7.609 -2.463 1.00 0.00 H new ATOM 0 HA ARG B 10 -14.357 -7.215 -0.039 1.00 0.00 H new ATOM 0 HB2 ARG B 10 -16.027 -8.950 -0.471 1.00 0.00 H new ATOM 0 HB3 ARG B 10 -14.955 -9.760 -1.596 1.00 0.00 H new ATOM 0 HG2 ARG B 10 -13.584 -10.607 0.090 1.00 0.00 H new ATOM 0 HG3 ARG B 10 -14.002 -9.338 1.224 1.00 0.00 H new ATOM 0 HD2 ARG B 10 -15.022 -11.416 1.944 1.00 0.00 H new ATOM 0 HD3 ARG B 10 -16.277 -10.292 1.463 1.00 0.00 H new ATOM 0 HE ARG B 10 -15.534 -12.014 -0.747 1.00 0.00 H new ATOM 0 HH11 ARG B 10 -17.413 -11.773 2.238 1.00 0.00 H new ATOM 0 HH12 ARG B 10 -18.523 -13.072 1.790 1.00 0.00 H new ATOM 0 HH21 ARG B 10 -16.965 -13.713 -1.308 1.00 0.00 H new ATOM 0 HH22 ARG B 10 -18.270 -14.164 -0.206 1.00 0.00 H new ATOM 761 N ARG B 11 -12.319 -8.653 -2.209 1.00 0.00 N ATOM 762 CA ARG B 11 -10.927 -8.996 -2.394 1.00 0.00 C ATOM 763 C ARG B 11 -10.095 -7.743 -2.556 1.00 0.00 C ATOM 764 O ARG B 11 -8.982 -7.682 -2.071 1.00 0.00 O ATOM 765 CB ARG B 11 -10.726 -9.909 -3.607 1.00 0.00 C ATOM 766 CG ARG B 11 -9.311 -10.455 -3.704 1.00 0.00 C ATOM 767 CD ARG B 11 -9.080 -11.245 -4.982 1.00 0.00 C ATOM 768 NE ARG B 11 -7.755 -11.869 -4.987 1.00 0.00 N ATOM 769 CZ ARG B 11 -6.911 -11.837 -6.018 1.00 0.00 C ATOM 770 NH1 ARG B 11 -7.252 -11.217 -7.142 1.00 0.00 N ATOM 771 NH2 ARG B 11 -5.724 -12.425 -5.923 1.00 0.00 N ATOM 0 H ARG B 11 -12.922 -8.866 -3.004 1.00 0.00 H new ATOM 0 HA ARG B 11 -10.602 -9.537 -1.505 1.00 0.00 H new ATOM 0 HB2 ARG B 11 -11.429 -10.741 -3.551 1.00 0.00 H new ATOM 0 HB3 ARG B 11 -10.960 -9.355 -4.516 1.00 0.00 H new ATOM 0 HG2 ARG B 11 -8.602 -9.629 -3.658 1.00 0.00 H new ATOM 0 HG3 ARG B 11 -9.112 -11.094 -2.844 1.00 0.00 H new ATOM 0 HD2 ARG B 11 -9.847 -12.013 -5.081 1.00 0.00 H new ATOM 0 HD3 ARG B 11 -9.177 -10.584 -5.844 1.00 0.00 H new ATOM 0 HE ARG B 11 -7.458 -12.361 -4.144 1.00 0.00 H new ATOM 0 HH11 ARG B 11 -8.162 -10.763 -7.218 1.00 0.00 H new ATOM 0 HH12 ARG B 11 -6.603 -11.195 -7.929 1.00 0.00 H new ATOM 0 HH21 ARG B 11 -5.458 -12.901 -5.061 1.00 0.00 H new ATOM 0 HH22 ARG B 11 -5.078 -12.401 -6.712 1.00 0.00 H new ATOM 785 N LYS B 12 -10.665 -6.733 -3.200 1.00 0.00 N ATOM 786 CA LYS B 12 -9.937 -5.530 -3.532 1.00 0.00 C ATOM 787 C LYS B 12 -9.550 -4.775 -2.276 1.00 0.00 C ATOM 788 O LYS B 12 -8.432 -4.310 -2.170 1.00 0.00 O ATOM 789 CB LYS B 12 -10.762 -4.644 -4.466 1.00 0.00 C ATOM 790 CG LYS B 12 -11.045 -5.294 -5.810 1.00 0.00 C ATOM 791 CD LYS B 12 -11.908 -4.412 -6.696 1.00 0.00 C ATOM 792 CE LYS B 12 -12.240 -5.110 -8.005 1.00 0.00 C ATOM 793 NZ LYS B 12 -13.068 -4.258 -8.900 1.00 0.00 N ATOM 0 H LYS B 12 -11.639 -6.730 -3.502 1.00 0.00 H new ATOM 0 HA LYS B 12 -9.022 -5.814 -4.052 1.00 0.00 H new ATOM 0 HB2 LYS B 12 -11.707 -4.398 -3.982 1.00 0.00 H new ATOM 0 HB3 LYS B 12 -10.233 -3.705 -4.628 1.00 0.00 H new ATOM 0 HG2 LYS B 12 -10.103 -5.506 -6.316 1.00 0.00 H new ATOM 0 HG3 LYS B 12 -11.545 -6.250 -5.653 1.00 0.00 H new ATOM 0 HD2 LYS B 12 -12.829 -4.156 -6.173 1.00 0.00 H new ATOM 0 HD3 LYS B 12 -11.387 -3.477 -6.901 1.00 0.00 H new ATOM 0 HE2 LYS B 12 -11.316 -5.380 -8.516 1.00 0.00 H new ATOM 0 HE3 LYS B 12 -12.771 -6.038 -7.796 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 -13.270 -4.773 -9.780 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 -13.962 -4.021 -8.424 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 -12.551 -3.383 -9.122 1.00 0.00 H new ATOM 807 N ILE B 13 -10.458 -4.693 -1.308 1.00 0.00 N ATOM 808 CA ILE B 13 -10.188 -3.962 -0.093 1.00 0.00 C ATOM 809 C ILE B 13 -9.166 -4.702 0.746 1.00 0.00 C ATOM 810 O ILE B 13 -8.430 -4.087 1.486 1.00 0.00 O ATOM 811 CB ILE B 13 -11.476 -3.669 0.725 1.00 0.00 C ATOM 812 CG1 ILE B 13 -12.256 -4.948 1.064 1.00 0.00 C ATOM 813 CG2 ILE B 13 -12.369 -2.696 -0.030 1.00 0.00 C ATOM 814 CD1 ILE B 13 -11.820 -5.616 2.355 1.00 0.00 C ATOM 0 H ILE B 13 -11.381 -5.125 -1.349 1.00 0.00 H new ATOM 0 HA ILE B 13 -9.778 -2.994 -0.379 1.00 0.00 H new ATOM 0 HB ILE B 13 -11.163 -3.220 1.668 1.00 0.00 H new ATOM 0 HG12 ILE B 13 -13.317 -4.706 1.133 1.00 0.00 H new ATOM 0 HG13 ILE B 13 -12.143 -5.658 0.244 1.00 0.00 H new ATOM 0 HG21 ILE B 13 -13.268 -2.499 0.554 1.00 0.00 H new ATOM 0 HG22 ILE B 13 -11.832 -1.762 -0.195 1.00 0.00 H new ATOM 0 HG23 ILE B 13 -12.648 -3.129 -0.991 1.00 0.00 H new ATOM 0 HD11 ILE B 13 -12.419 -6.511 2.522 1.00 0.00 H new ATOM 0 HD12 ILE B 13 -10.768 -5.892 2.285 1.00 0.00 H new ATOM 0 HD13 ILE B 13 -11.959 -4.926 3.187 1.00 0.00 H new ATOM 826 N ARG B 14 -9.088 -6.021 0.580 1.00 0.00 N ATOM 827 CA ARG B 14 -8.144 -6.817 1.326 1.00 0.00 C ATOM 828 C ARG B 14 -6.748 -6.561 0.804 1.00 0.00 C ATOM 829 O ARG B 14 -5.806 -6.553 1.570 1.00 0.00 O ATOM 830 CB ARG B 14 -8.469 -8.311 1.244 1.00 0.00 C ATOM 831 CG ARG B 14 -7.495 -9.160 2.044 1.00 0.00 C ATOM 832 CD ARG B 14 -7.768 -10.645 1.910 1.00 0.00 C ATOM 833 NE ARG B 14 -6.712 -11.434 2.544 1.00 0.00 N ATOM 834 CZ ARG B 14 -6.862 -12.693 2.955 1.00 0.00 C ATOM 835 NH1 ARG B 14 -8.032 -13.304 2.832 1.00 0.00 N ATOM 836 NH2 ARG B 14 -5.842 -13.341 3.498 1.00 0.00 N ATOM 0 H ARG B 14 -9.672 -6.551 -0.067 1.00 0.00 H new ATOM 0 HA ARG B 14 -8.209 -6.525 2.374 1.00 0.00 H new ATOM 0 HB2 ARG B 14 -9.481 -8.481 1.611 1.00 0.00 H new ATOM 0 HB3 ARG B 14 -8.451 -8.627 0.201 1.00 0.00 H new ATOM 0 HG2 ARG B 14 -6.478 -8.950 1.712 1.00 0.00 H new ATOM 0 HG3 ARG B 14 -7.551 -8.878 3.095 1.00 0.00 H new ATOM 0 HD2 ARG B 14 -8.729 -10.884 2.366 1.00 0.00 H new ATOM 0 HD3 ARG B 14 -7.841 -10.911 0.855 1.00 0.00 H new ATOM 0 HE ARG B 14 -5.803 -10.992 2.680 1.00 0.00 H new ATOM 0 HH11 ARG B 14 -8.824 -12.811 2.421 1.00 0.00 H new ATOM 0 HH12 ARG B 14 -8.140 -14.268 3.149 1.00 0.00 H new ATOM 0 HH21 ARG B 14 -4.940 -12.876 3.602 1.00 0.00 H new ATOM 0 HH22 ARG B 14 -5.959 -14.304 3.812 1.00 0.00 H new ATOM 850 N SER B 15 -6.637 -6.322 -0.500 1.00 0.00 N ATOM 851 CA SER B 15 -5.364 -6.035 -1.126 1.00 0.00 C ATOM 852 C SER B 15 -4.712 -4.855 -0.428 1.00 0.00 C ATOM 853 O SER B 15 -3.548 -4.909 -0.080 1.00 0.00 O ATOM 854 CB SER B 15 -5.567 -5.735 -2.613 1.00 0.00 C ATOM 855 OG SER B 15 -6.318 -6.762 -3.247 1.00 0.00 O ATOM 0 H SER B 15 -7.428 -6.323 -1.144 1.00 0.00 H new ATOM 0 HA SER B 15 -4.711 -6.903 -1.037 1.00 0.00 H new ATOM 0 HB2 SER B 15 -6.082 -4.781 -2.727 1.00 0.00 H new ATOM 0 HB3 SER B 15 -4.598 -5.635 -3.102 1.00 0.00 H new ATOM 0 HG SER B 15 -6.434 -6.544 -4.195 1.00 0.00 H new ATOM 861 N LEU B 16 -5.505 -3.815 -0.174 1.00 0.00 N ATOM 862 CA LEU B 16 -5.030 -2.628 0.502 1.00 0.00 C ATOM 863 C LEU B 16 -4.564 -2.976 1.902 1.00 0.00 C ATOM 864 O LEU B 16 -3.507 -2.547 2.318 1.00 0.00 O ATOM 865 CB LEU B 16 -6.136 -1.570 0.563 1.00 0.00 C ATOM 866 CG LEU B 16 -6.639 -1.071 -0.793 1.00 0.00 C ATOM 867 CD1 LEU B 16 -7.805 -0.114 -0.606 1.00 0.00 C ATOM 868 CD2 LEU B 16 -5.518 -0.392 -1.567 1.00 0.00 C ATOM 0 H LEU B 16 -6.491 -3.780 -0.434 1.00 0.00 H new ATOM 0 HA LEU B 16 -4.189 -2.221 -0.059 1.00 0.00 H new ATOM 0 HB2 LEU B 16 -6.980 -1.982 1.116 1.00 0.00 H new ATOM 0 HB3 LEU B 16 -5.768 -0.716 1.132 1.00 0.00 H new ATOM 0 HG LEU B 16 -6.981 -1.931 -1.368 1.00 0.00 H new ATOM 0 HD11 LEU B 16 -8.151 0.232 -1.580 1.00 0.00 H new ATOM 0 HD12 LEU B 16 -8.618 -0.627 -0.093 1.00 0.00 H new ATOM 0 HD13 LEU B 16 -7.483 0.740 -0.011 1.00 0.00 H new ATOM 0 HD21 LEU B 16 -5.898 -0.045 -2.528 1.00 0.00 H new ATOM 0 HD22 LEU B 16 -5.145 0.458 -0.996 1.00 0.00 H new ATOM 0 HD23 LEU B 16 -4.708 -1.102 -1.732 1.00 0.00 H new ATOM 880 N GLN B 17 -5.347 -3.790 2.607 1.00 0.00 N ATOM 881 CA GLN B 17 -5.033 -4.174 3.968 1.00 0.00 C ATOM 882 C GLN B 17 -3.675 -4.854 4.028 1.00 0.00 C ATOM 883 O GLN B 17 -2.860 -4.506 4.859 1.00 0.00 O ATOM 884 CB GLN B 17 -6.115 -5.099 4.534 1.00 0.00 C ATOM 885 CG GLN B 17 -7.515 -4.489 4.572 1.00 0.00 C ATOM 886 CD GLN B 17 -7.691 -3.395 5.620 1.00 0.00 C ATOM 887 OE1 GLN B 17 -6.637 -2.643 5.907 1.00 0.00 O flip ATOM 888 NE2 GLN B 17 -8.780 -3.221 6.168 1.00 0.00 N flip ATOM 0 H GLN B 17 -6.211 -4.196 2.247 1.00 0.00 H new ATOM 0 HA GLN B 17 -4.999 -3.271 4.577 1.00 0.00 H new ATOM 0 HB2 GLN B 17 -6.146 -6.010 3.936 1.00 0.00 H new ATOM 0 HB3 GLN B 17 -5.832 -5.391 5.545 1.00 0.00 H new ATOM 0 HG2 GLN B 17 -7.746 -4.077 3.590 1.00 0.00 H new ATOM 0 HG3 GLN B 17 -8.239 -5.281 4.764 1.00 0.00 H new ATOM 0 HE21 GLN B 17 -9.573 -3.815 5.927 1.00 0.00 H new ATOM 0 HE22 GLN B 17 -8.889 -2.483 6.863 1.00 0.00 H new ATOM 897 N GLU B 18 -3.437 -5.790 3.110 1.00 0.00 N ATOM 898 CA GLU B 18 -2.190 -6.532 3.053 1.00 0.00 C ATOM 899 C GLU B 18 -1.024 -5.568 2.917 1.00 0.00 C ATOM 900 O GLU B 18 -0.061 -5.667 3.659 1.00 0.00 O ATOM 901 CB GLU B 18 -2.212 -7.504 1.869 1.00 0.00 C ATOM 902 CG GLU B 18 -1.039 -8.474 1.833 1.00 0.00 C ATOM 903 CD GLU B 18 -1.103 -9.516 2.933 1.00 0.00 C ATOM 904 OE1 GLU B 18 -1.976 -10.410 2.860 1.00 0.00 O ATOM 905 OE2 GLU B 18 -0.272 -9.463 3.862 1.00 0.00 O ATOM 0 H GLU B 18 -4.107 -6.051 2.387 1.00 0.00 H new ATOM 0 HA GLU B 18 -2.072 -7.104 3.974 1.00 0.00 H new ATOM 0 HB2 GLU B 18 -3.140 -8.075 1.900 1.00 0.00 H new ATOM 0 HB3 GLU B 18 -2.222 -6.930 0.943 1.00 0.00 H new ATOM 0 HG2 GLU B 18 -1.018 -8.975 0.865 1.00 0.00 H new ATOM 0 HG3 GLU B 18 -0.108 -7.914 1.923 1.00 0.00 H new ATOM 912 N GLN B 19 -1.153 -4.621 1.987 1.00 0.00 N ATOM 913 CA GLN B 19 -0.129 -3.620 1.740 1.00 0.00 C ATOM 914 C GLN B 19 0.202 -2.879 3.021 1.00 0.00 C ATOM 915 O GLN B 19 1.332 -2.924 3.478 1.00 0.00 O ATOM 916 CB GLN B 19 -0.603 -2.630 0.668 1.00 0.00 C ATOM 917 CG GLN B 19 0.421 -1.558 0.322 1.00 0.00 C ATOM 918 CD GLN B 19 1.660 -2.126 -0.346 1.00 0.00 C ATOM 919 OE1 GLN B 19 2.620 -2.509 0.319 1.00 0.00 O ATOM 920 NE2 GLN B 19 1.647 -2.172 -1.669 1.00 0.00 N ATOM 0 H GLN B 19 -1.973 -4.531 1.387 1.00 0.00 H new ATOM 0 HA GLN B 19 0.770 -4.123 1.383 1.00 0.00 H new ATOM 0 HB2 GLN B 19 -0.856 -3.183 -0.237 1.00 0.00 H new ATOM 0 HB3 GLN B 19 -1.518 -2.147 1.012 1.00 0.00 H new ATOM 0 HG2 GLN B 19 -0.038 -0.822 -0.338 1.00 0.00 H new ATOM 0 HG3 GLN B 19 0.712 -1.032 1.231 1.00 0.00 H new ATOM 0 HE21 GLN B 19 0.829 -1.844 -2.183 1.00 0.00 H new ATOM 0 HE22 GLN B 19 2.455 -2.536 -2.175 1.00 0.00 H new ATOM 929 N ASN B 20 -0.809 -2.242 3.611 1.00 0.00 N ATOM 930 CA ASN B 20 -0.640 -1.436 4.808 1.00 0.00 C ATOM 931 C ASN B 20 0.029 -2.233 5.904 1.00 0.00 C ATOM 932 O ASN B 20 0.923 -1.734 6.556 1.00 0.00 O ATOM 933 CB ASN B 20 -1.992 -0.906 5.304 1.00 0.00 C ATOM 934 CG ASN B 20 -2.526 0.236 4.459 1.00 0.00 C ATOM 935 OD1 ASN B 20 -3.276 -0.093 3.420 1.00 0.00 O flip ATOM 936 ND2 ASN B 20 -2.274 1.406 4.737 1.00 0.00 N flip ATOM 0 H ASN B 20 -1.769 -2.274 3.267 1.00 0.00 H new ATOM 0 HA ASN B 20 -0.003 -0.590 4.550 1.00 0.00 H new ATOM 0 HB2 ASN B 20 -2.717 -1.720 5.305 1.00 0.00 H new ATOM 0 HB3 ASN B 20 -1.888 -0.570 6.336 1.00 0.00 H new ATOM 0 HD21 ASN B 20 -1.692 1.624 5.546 1.00 0.00 H new ATOM 0 HD22 ASN B 20 -2.647 2.159 4.159 1.00 0.00 H new ATOM 943 N TYR B 21 -0.398 -3.481 6.073 1.00 0.00 N ATOM 944 CA TYR B 21 0.135 -4.354 7.100 1.00 0.00 C ATOM 945 C TYR B 21 1.638 -4.500 6.952 1.00 0.00 C ATOM 946 O TYR B 21 2.378 -4.128 7.849 1.00 0.00 O ATOM 947 CB TYR B 21 -0.542 -5.726 7.025 1.00 0.00 C ATOM 948 CG TYR B 21 0.016 -6.750 7.990 1.00 0.00 C ATOM 949 CD1 TYR B 21 -0.099 -6.578 9.364 1.00 0.00 C ATOM 950 CD2 TYR B 21 0.668 -7.883 7.524 1.00 0.00 C ATOM 951 CE1 TYR B 21 0.412 -7.513 10.243 1.00 0.00 C ATOM 952 CE2 TYR B 21 1.180 -8.822 8.397 1.00 0.00 C ATOM 953 CZ TYR B 21 1.054 -8.632 9.755 1.00 0.00 C ATOM 954 OH TYR B 21 1.567 -9.564 10.627 1.00 0.00 O ATOM 0 H TYR B 21 -1.124 -3.910 5.499 1.00 0.00 H new ATOM 0 HA TYR B 21 -0.071 -3.910 8.074 1.00 0.00 H new ATOM 0 HB2 TYR B 21 -1.607 -5.603 7.220 1.00 0.00 H new ATOM 0 HB3 TYR B 21 -0.446 -6.111 6.010 1.00 0.00 H new ATOM 0 HD1 TYR B 21 -0.595 -5.700 9.750 1.00 0.00 H new ATOM 0 HD2 TYR B 21 0.777 -8.033 6.460 1.00 0.00 H new ATOM 0 HE1 TYR B 21 0.309 -7.368 11.308 1.00 0.00 H new ATOM 0 HE2 TYR B 21 1.677 -9.702 8.016 1.00 0.00 H new ATOM 0 HH TYR B 21 1.986 -10.291 10.120 1.00 0.00 H new ATOM 964 N HIS B 22 2.078 -4.996 5.800 1.00 0.00 N ATOM 965 CA HIS B 22 3.478 -5.279 5.582 1.00 0.00 C ATOM 966 C HIS B 22 4.286 -4.012 5.549 1.00 0.00 C ATOM 967 O HIS B 22 5.392 -4.002 6.037 1.00 0.00 O ATOM 968 CB HIS B 22 3.700 -6.067 4.294 1.00 0.00 C ATOM 969 CG HIS B 22 3.630 -7.547 4.488 1.00 0.00 C ATOM 970 ND1 HIS B 22 4.730 -8.319 4.817 1.00 0.00 N ATOM 971 CD2 HIS B 22 2.587 -8.401 4.402 1.00 0.00 C ATOM 972 CE1 HIS B 22 4.359 -9.584 4.919 1.00 0.00 C ATOM 973 NE2 HIS B 22 3.065 -9.656 4.673 1.00 0.00 N ATOM 0 H HIS B 22 1.476 -5.208 5.004 1.00 0.00 H new ATOM 0 HA HIS B 22 3.813 -5.891 6.420 1.00 0.00 H new ATOM 0 HB2 HIS B 22 2.952 -5.768 3.560 1.00 0.00 H new ATOM 0 HB3 HIS B 22 4.675 -5.807 3.881 1.00 0.00 H new ATOM 0 HD1 HIS B 22 5.677 -7.968 4.958 1.00 0.00 H new ATOM 0 HD2 HIS B 22 1.566 -8.142 4.164 1.00 0.00 H new ATOM 0 HE1 HIS B 22 5.004 -10.415 5.162 1.00 0.00 H new ATOM 982 N LEU B 23 3.712 -2.950 4.993 1.00 0.00 N ATOM 983 CA LEU B 23 4.399 -1.682 4.846 1.00 0.00 C ATOM 984 C LEU B 23 5.044 -1.290 6.162 1.00 0.00 C ATOM 985 O LEU B 23 6.248 -1.098 6.217 1.00 0.00 O ATOM 986 CB LEU B 23 3.411 -0.603 4.376 1.00 0.00 C ATOM 987 CG LEU B 23 4.020 0.607 3.655 1.00 0.00 C ATOM 988 CD1 LEU B 23 2.931 1.387 2.932 1.00 0.00 C ATOM 989 CD2 LEU B 23 4.749 1.519 4.632 1.00 0.00 C ATOM 0 H LEU B 23 2.758 -2.949 4.633 1.00 0.00 H new ATOM 0 HA LEU B 23 5.183 -1.779 4.095 1.00 0.00 H new ATOM 0 HB2 LEU B 23 2.686 -1.070 3.709 1.00 0.00 H new ATOM 0 HB3 LEU B 23 2.859 -0.242 5.244 1.00 0.00 H new ATOM 0 HG LEU B 23 4.743 0.238 2.928 1.00 0.00 H new ATOM 0 HD11 LEU B 23 3.374 2.244 2.424 1.00 0.00 H new ATOM 0 HD12 LEU B 23 2.446 0.741 2.200 1.00 0.00 H new ATOM 0 HD13 LEU B 23 2.193 1.735 3.654 1.00 0.00 H new ATOM 0 HD21 LEU B 23 5.170 2.367 4.093 1.00 0.00 H new ATOM 0 HD22 LEU B 23 4.048 1.879 5.385 1.00 0.00 H new ATOM 0 HD23 LEU B 23 5.551 0.964 5.118 1.00 0.00 H new ATOM 1001 N GLU B 24 4.247 -1.245 7.222 1.00 0.00 N ATOM 1002 CA GLU B 24 4.711 -0.810 8.520 1.00 0.00 C ATOM 1003 C GLU B 24 5.782 -1.731 9.074 1.00 0.00 C ATOM 1004 O GLU B 24 6.882 -1.278 9.338 1.00 0.00 O ATOM 1005 CB GLU B 24 3.543 -0.705 9.499 1.00 0.00 C ATOM 1006 CG GLU B 24 2.644 0.492 9.236 1.00 0.00 C ATOM 1007 CD GLU B 24 3.364 1.811 9.440 1.00 0.00 C ATOM 1008 OE1 GLU B 24 3.977 2.323 8.481 1.00 0.00 O ATOM 1009 OE2 GLU B 24 3.319 2.348 10.567 1.00 0.00 O ATOM 0 H GLU B 24 3.262 -1.510 7.199 1.00 0.00 H new ATOM 0 HA GLU B 24 5.157 0.176 8.393 1.00 0.00 H new ATOM 0 HB2 GLU B 24 2.948 -1.617 9.443 1.00 0.00 H new ATOM 0 HB3 GLU B 24 3.934 -0.641 10.515 1.00 0.00 H new ATOM 0 HG2 GLU B 24 2.266 0.442 8.215 1.00 0.00 H new ATOM 0 HG3 GLU B 24 1.780 0.447 9.899 1.00 0.00 H new ATOM 1016 N ASN B 25 5.481 -3.019 9.217 1.00 0.00 N ATOM 1017 CA ASN B 25 6.396 -3.931 9.876 1.00 0.00 C ATOM 1018 C ASN B 25 7.683 -4.054 9.084 1.00 0.00 C ATOM 1019 O ASN B 25 8.751 -4.089 9.663 1.00 0.00 O ATOM 1020 CB ASN B 25 5.769 -5.319 10.111 1.00 0.00 C ATOM 1021 CG ASN B 25 5.590 -6.142 8.846 1.00 0.00 C ATOM 1022 OD1 ASN B 25 4.541 -6.112 8.215 1.00 0.00 O ATOM 1023 ND2 ASN B 25 6.616 -6.894 8.477 1.00 0.00 N ATOM 0 H ASN B 25 4.616 -3.447 8.886 1.00 0.00 H new ATOM 0 HA ASN B 25 6.621 -3.511 10.856 1.00 0.00 H new ATOM 0 HB2 ASN B 25 6.396 -5.876 10.808 1.00 0.00 H new ATOM 0 HB3 ASN B 25 4.798 -5.191 10.589 1.00 0.00 H new ATOM 0 HD21 ASN B 25 6.548 -7.475 7.641 1.00 0.00 H new ATOM 0 HD22 ASN B 25 7.474 -6.892 9.029 1.00 0.00 H new ATOM 1030 N GLU B 26 7.575 -4.073 7.761 1.00 0.00 N ATOM 1031 CA GLU B 26 8.720 -4.277 6.906 1.00 0.00 C ATOM 1032 C GLU B 26 9.669 -3.098 7.013 1.00 0.00 C ATOM 1033 O GLU B 26 10.845 -3.282 7.277 1.00 0.00 O ATOM 1034 CB GLU B 26 8.273 -4.471 5.456 1.00 0.00 C ATOM 1035 CG GLU B 26 8.829 -5.725 4.801 1.00 0.00 C ATOM 1036 CD GLU B 26 8.426 -7.003 5.516 1.00 0.00 C ATOM 1037 OE1 GLU B 26 7.269 -7.454 5.348 1.00 0.00 O ATOM 1038 OE2 GLU B 26 9.270 -7.570 6.246 1.00 0.00 O ATOM 0 H GLU B 26 6.695 -3.948 7.261 1.00 0.00 H new ATOM 0 HA GLU B 26 9.243 -5.177 7.230 1.00 0.00 H new ATOM 0 HB2 GLU B 26 7.184 -4.509 5.424 1.00 0.00 H new ATOM 0 HB3 GLU B 26 8.579 -3.602 4.873 1.00 0.00 H new ATOM 0 HG2 GLU B 26 8.485 -5.770 3.768 1.00 0.00 H new ATOM 0 HG3 GLU B 26 9.917 -5.660 4.772 1.00 0.00 H new ATOM 1045 N VAL B 27 9.145 -1.883 6.849 1.00 0.00 N ATOM 1046 CA VAL B 27 9.974 -0.701 6.869 1.00 0.00 C ATOM 1047 C VAL B 27 10.547 -0.495 8.260 1.00 0.00 C ATOM 1048 O VAL B 27 11.682 -0.090 8.388 1.00 0.00 O ATOM 1049 CB VAL B 27 9.213 0.569 6.401 1.00 0.00 C ATOM 1050 CG1 VAL B 27 8.135 0.985 7.391 1.00 0.00 C ATOM 1051 CG2 VAL B 27 10.183 1.717 6.149 1.00 0.00 C ATOM 0 H VAL B 27 8.152 -1.703 6.702 1.00 0.00 H new ATOM 0 HA VAL B 27 10.786 -0.860 6.159 1.00 0.00 H new ATOM 0 HB VAL B 27 8.715 0.320 5.464 1.00 0.00 H new ATOM 0 HG11 VAL B 27 7.628 1.877 7.024 1.00 0.00 H new ATOM 0 HG12 VAL B 27 7.412 0.177 7.502 1.00 0.00 H new ATOM 0 HG13 VAL B 27 8.592 1.199 8.357 1.00 0.00 H new ATOM 0 HG21 VAL B 27 9.629 2.597 5.822 1.00 0.00 H new ATOM 0 HG22 VAL B 27 10.720 1.948 7.069 1.00 0.00 H new ATOM 0 HG23 VAL B 27 10.895 1.429 5.376 1.00 0.00 H new ATOM 1061 N ALA B 28 9.764 -0.824 9.288 1.00 0.00 N ATOM 1062 CA ALA B 28 10.199 -0.691 10.662 1.00 0.00 C ATOM 1063 C ALA B 28 11.437 -1.526 10.891 1.00 0.00 C ATOM 1064 O ALA B 28 12.441 -1.018 11.364 1.00 0.00 O ATOM 1065 CB ALA B 28 9.096 -1.100 11.626 1.00 0.00 C ATOM 0 H ALA B 28 8.817 -1.188 9.184 1.00 0.00 H new ATOM 0 HA ALA B 28 10.436 0.356 10.850 1.00 0.00 H new ATOM 0 HB1 ALA B 28 9.450 -0.990 12.651 1.00 0.00 H new ATOM 0 HB2 ALA B 28 8.224 -0.464 11.473 1.00 0.00 H new ATOM 0 HB3 ALA B 28 8.822 -2.140 11.446 1.00 0.00 H new ATOM 1071 N ARG B 29 11.362 -2.796 10.510 1.00 0.00 N ATOM 1072 CA ARG B 29 12.470 -3.714 10.664 1.00 0.00 C ATOM 1073 C ARG B 29 13.678 -3.209 9.905 1.00 0.00 C ATOM 1074 O ARG B 29 14.734 -3.043 10.485 1.00 0.00 O ATOM 1075 CB ARG B 29 12.092 -5.112 10.163 1.00 0.00 C ATOM 1076 CG ARG B 29 13.230 -6.110 10.264 1.00 0.00 C ATOM 1077 CD ARG B 29 12.901 -7.412 9.554 1.00 0.00 C ATOM 1078 NE ARG B 29 14.033 -8.336 9.574 1.00 0.00 N ATOM 1079 CZ ARG B 29 14.648 -8.791 8.481 1.00 0.00 C ATOM 1080 NH1 ARG B 29 14.230 -8.417 7.275 1.00 0.00 N ATOM 1081 NH2 ARG B 29 15.676 -9.621 8.595 1.00 0.00 N ATOM 0 H ARG B 29 10.532 -3.211 10.088 1.00 0.00 H new ATOM 0 HA ARG B 29 12.713 -3.777 11.725 1.00 0.00 H new ATOM 0 HB2 ARG B 29 11.242 -5.480 10.738 1.00 0.00 H new ATOM 0 HB3 ARG B 29 11.768 -5.044 9.124 1.00 0.00 H new ATOM 0 HG2 ARG B 29 14.132 -5.678 9.832 1.00 0.00 H new ATOM 0 HG3 ARG B 29 13.445 -6.312 11.313 1.00 0.00 H new ATOM 0 HD2 ARG B 29 12.040 -7.880 10.031 1.00 0.00 H new ATOM 0 HD3 ARG B 29 12.619 -7.203 8.522 1.00 0.00 H new ATOM 0 HE ARG B 29 14.375 -8.653 10.481 1.00 0.00 H new ATOM 0 HH11 ARG B 29 13.438 -7.781 7.184 1.00 0.00 H new ATOM 0 HH12 ARG B 29 14.702 -8.766 6.441 1.00 0.00 H new ATOM 0 HH21 ARG B 29 15.997 -9.912 9.519 1.00 0.00 H new ATOM 0 HH22 ARG B 29 16.146 -9.969 7.759 1.00 0.00 H new ATOM 1095 N LEU B 30 13.487 -2.931 8.618 1.00 0.00 N ATOM 1096 CA LEU B 30 14.570 -2.566 7.725 1.00 0.00 C ATOM 1097 C LEU B 30 15.388 -1.411 8.277 1.00 0.00 C ATOM 1098 O LEU B 30 16.582 -1.556 8.470 1.00 0.00 O ATOM 1099 CB LEU B 30 14.018 -2.209 6.341 1.00 0.00 C ATOM 1100 CG LEU B 30 15.076 -1.891 5.279 1.00 0.00 C ATOM 1101 CD1 LEU B 30 15.977 -3.095 5.040 1.00 0.00 C ATOM 1102 CD2 LEU B 30 14.409 -1.456 3.982 1.00 0.00 C ATOM 0 H LEU B 30 12.572 -2.954 8.169 1.00 0.00 H new ATOM 0 HA LEU B 30 15.231 -3.428 7.637 1.00 0.00 H new ATOM 0 HB2 LEU B 30 13.408 -3.039 5.986 1.00 0.00 H new ATOM 0 HB3 LEU B 30 13.357 -1.348 6.442 1.00 0.00 H new ATOM 0 HG LEU B 30 15.694 -1.071 5.643 1.00 0.00 H new ATOM 0 HD11 LEU B 30 16.721 -2.848 4.283 1.00 0.00 H new ATOM 0 HD12 LEU B 30 16.480 -3.363 5.969 1.00 0.00 H new ATOM 0 HD13 LEU B 30 15.376 -3.937 4.697 1.00 0.00 H new ATOM 0 HD21 LEU B 30 15.173 -1.233 3.237 1.00 0.00 H new ATOM 0 HD22 LEU B 30 13.768 -2.258 3.616 1.00 0.00 H new ATOM 0 HD23 LEU B 30 13.808 -0.565 4.163 1.00 0.00 H new ATOM 1114 N LYS B 31 14.730 -0.291 8.565 1.00 0.00 N ATOM 1115 CA LYS B 31 15.414 0.921 8.960 1.00 0.00 C ATOM 1116 C LYS B 31 16.183 0.714 10.253 1.00 0.00 C ATOM 1117 O LYS B 31 17.298 1.182 10.375 1.00 0.00 O ATOM 1118 CB LYS B 31 14.423 2.089 9.088 1.00 0.00 C ATOM 1119 CG LYS B 31 13.330 1.871 10.122 1.00 0.00 C ATOM 1120 CD LYS B 31 12.251 2.938 10.022 1.00 0.00 C ATOM 1121 CE LYS B 31 11.134 2.686 11.020 1.00 0.00 C ATOM 1122 NZ LYS B 31 9.997 3.627 10.837 1.00 0.00 N ATOM 0 H LYS B 31 13.714 -0.206 8.529 1.00 0.00 H new ATOM 0 HA LYS B 31 16.133 1.173 8.181 1.00 0.00 H new ATOM 0 HB2 LYS B 31 14.976 2.993 9.345 1.00 0.00 H new ATOM 0 HB3 LYS B 31 13.959 2.265 8.117 1.00 0.00 H new ATOM 0 HG2 LYS B 31 12.884 0.886 9.981 1.00 0.00 H new ATOM 0 HG3 LYS B 31 13.765 1.884 11.121 1.00 0.00 H new ATOM 0 HD2 LYS B 31 12.689 3.920 10.203 1.00 0.00 H new ATOM 0 HD3 LYS B 31 11.843 2.952 9.011 1.00 0.00 H new ATOM 0 HE2 LYS B 31 10.777 1.662 10.913 1.00 0.00 H new ATOM 0 HE3 LYS B 31 11.525 2.783 12.033 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 9.258 3.419 11.539 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 10.331 4.604 10.965 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 9.606 3.517 9.880 1.00 0.00 H new ATOM 1136 N LYS B 32 15.607 -0.025 11.194 1.00 0.00 N ATOM 1137 CA LYS B 32 16.265 -0.259 12.472 1.00 0.00 C ATOM 1138 C LYS B 32 17.397 -1.269 12.312 1.00 0.00 C ATOM 1139 O LYS B 32 18.482 -1.081 12.858 1.00 0.00 O ATOM 1140 CB LYS B 32 15.243 -0.737 13.521 1.00 0.00 C ATOM 1141 CG LYS B 32 15.814 -0.920 14.929 1.00 0.00 C ATOM 1142 CD LYS B 32 16.570 -2.234 15.073 1.00 0.00 C ATOM 1143 CE LYS B 32 17.270 -2.348 16.416 1.00 0.00 C ATOM 1144 NZ LYS B 32 18.080 -3.592 16.503 1.00 0.00 N ATOM 0 H LYS B 32 14.694 -0.469 11.097 1.00 0.00 H new ATOM 0 HA LYS B 32 16.696 0.679 12.821 1.00 0.00 H new ATOM 0 HB2 LYS B 32 14.425 -0.018 13.566 1.00 0.00 H new ATOM 0 HB3 LYS B 32 14.818 -1.684 13.190 1.00 0.00 H new ATOM 0 HG2 LYS B 32 16.482 -0.090 15.160 1.00 0.00 H new ATOM 0 HG3 LYS B 32 15.003 -0.887 15.656 1.00 0.00 H new ATOM 0 HD2 LYS B 32 15.875 -3.066 14.955 1.00 0.00 H new ATOM 0 HD3 LYS B 32 17.306 -2.318 14.273 1.00 0.00 H new ATOM 0 HE2 LYS B 32 17.914 -1.482 16.567 1.00 0.00 H new ATOM 0 HE3 LYS B 32 16.529 -2.338 17.216 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 18.448 -3.700 17.470 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 17.485 -4.411 16.266 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 18.874 -3.536 15.834 1.00 0.00 H new ATOM 1158 N LEU B 33 17.137 -2.325 11.553 1.00 0.00 N ATOM 1159 CA LEU B 33 18.074 -3.442 11.425 1.00 0.00 C ATOM 1160 C LEU B 33 19.414 -2.997 10.845 1.00 0.00 C ATOM 1161 O LEU B 33 20.473 -3.385 11.339 1.00 0.00 O ATOM 1162 CB LEU B 33 17.467 -4.537 10.546 1.00 0.00 C ATOM 1163 CG LEU B 33 18.273 -5.835 10.470 1.00 0.00 C ATOM 1164 CD1 LEU B 33 18.322 -6.515 11.830 1.00 0.00 C ATOM 1165 CD2 LEU B 33 17.680 -6.768 9.424 1.00 0.00 C ATOM 0 H LEU B 33 16.280 -2.435 11.012 1.00 0.00 H new ATOM 0 HA LEU B 33 18.258 -3.833 12.426 1.00 0.00 H new ATOM 0 HB2 LEU B 33 16.470 -4.769 10.920 1.00 0.00 H new ATOM 0 HB3 LEU B 33 17.346 -4.144 9.537 1.00 0.00 H new ATOM 0 HG LEU B 33 19.293 -5.591 10.174 1.00 0.00 H new ATOM 0 HD11 LEU B 33 18.900 -7.436 11.755 1.00 0.00 H new ATOM 0 HD12 LEU B 33 18.793 -5.849 12.553 1.00 0.00 H new ATOM 0 HD13 LEU B 33 17.309 -6.748 12.157 1.00 0.00 H new ATOM 0 HD21 LEU B 33 18.265 -7.687 9.382 1.00 0.00 H new ATOM 0 HD22 LEU B 33 16.650 -7.005 9.690 1.00 0.00 H new ATOM 0 HD23 LEU B 33 17.700 -6.281 8.449 1.00 0.00 H new ATOM 1177 N VAL B 34 19.369 -2.183 9.802 1.00 0.00 N ATOM 1178 CA VAL B 34 20.587 -1.762 9.124 1.00 0.00 C ATOM 1179 C VAL B 34 21.367 -0.738 9.954 1.00 0.00 C ATOM 1180 O VAL B 34 22.600 -0.740 9.961 1.00 0.00 O ATOM 1181 CB VAL B 34 20.286 -1.187 7.713 1.00 0.00 C ATOM 1182 CG1 VAL B 34 19.392 0.044 7.792 1.00 0.00 C ATOM 1183 CG2 VAL B 34 21.578 -0.865 6.970 1.00 0.00 C ATOM 0 H VAL B 34 18.509 -1.802 9.408 1.00 0.00 H new ATOM 0 HA VAL B 34 21.205 -2.652 9.006 1.00 0.00 H new ATOM 0 HB VAL B 34 19.749 -1.954 7.154 1.00 0.00 H new ATOM 0 HG11 VAL B 34 19.202 0.420 6.787 1.00 0.00 H new ATOM 0 HG12 VAL B 34 18.447 -0.223 8.265 1.00 0.00 H new ATOM 0 HG13 VAL B 34 19.887 0.816 8.381 1.00 0.00 H new ATOM 0 HG21 VAL B 34 21.341 -0.464 5.985 1.00 0.00 H new ATOM 0 HG22 VAL B 34 22.148 -0.127 7.535 1.00 0.00 H new ATOM 0 HG23 VAL B 34 22.170 -1.773 6.859 1.00 0.00 H new ATOM 1193 N GLY B 35 20.646 0.120 10.663 1.00 0.00 N ATOM 1194 CA GLY B 35 21.288 1.169 11.428 1.00 0.00 C ATOM 1195 C GLY B 35 21.706 0.722 12.814 1.00 0.00 C ATOM 1196 O GLY B 35 22.712 1.201 13.345 1.00 0.00 O ATOM 0 H GLY B 35 19.628 0.108 10.722 1.00 0.00 H new ATOM 0 HA2 GLY B 35 22.166 1.521 10.886 1.00 0.00 H new ATOM 0 HA3 GLY B 35 20.607 2.016 11.516 1.00 0.00 H new ATOM 1200 N GLU B 36 20.936 -0.196 13.400 1.00 0.00 N ATOM 1201 CA GLU B 36 21.142 -0.624 14.786 1.00 0.00 C ATOM 1202 C GLU B 36 21.036 0.566 15.732 1.00 0.00 C ATOM 1203 O GLU B 36 21.827 0.716 16.663 1.00 0.00 O ATOM 1204 CB GLU B 36 22.491 -1.333 14.948 1.00 0.00 C ATOM 1205 CG GLU B 36 22.455 -2.795 14.537 1.00 0.00 C ATOM 1206 CD GLU B 36 21.552 -3.611 15.440 1.00 0.00 C ATOM 1207 OE1 GLU B 36 22.037 -4.113 16.475 1.00 0.00 O ATOM 1208 OE2 GLU B 36 20.351 -3.747 15.130 1.00 0.00 O ATOM 0 H GLU B 36 20.158 -0.661 12.933 1.00 0.00 H new ATOM 0 HA GLU B 36 20.359 -1.337 15.043 1.00 0.00 H new ATOM 0 HB2 GLU B 36 23.241 -0.813 14.351 1.00 0.00 H new ATOM 0 HB3 GLU B 36 22.808 -1.263 15.989 1.00 0.00 H new ATOM 0 HG2 GLU B 36 22.107 -2.875 13.507 1.00 0.00 H new ATOM 0 HG3 GLU B 36 23.464 -3.206 14.565 1.00 0.00 H new ATOM 1215 N ARG B 37 20.029 1.396 15.492 1.00 0.00 N ATOM 1216 CA ARG B 37 19.844 2.614 16.260 1.00 0.00 C ATOM 1217 C ARG B 37 18.906 2.367 17.436 1.00 0.00 C ATOM 1218 O ARG B 37 17.688 2.575 17.279 1.00 0.00 O ATOM 1219 CB ARG B 37 19.288 3.724 15.366 1.00 0.00 C ATOM 1220 CG ARG B 37 19.931 5.073 15.621 1.00 0.00 C ATOM 1221 CD ARG B 37 21.398 5.063 15.226 1.00 0.00 C ATOM 1222 NE ARG B 37 22.060 6.325 15.539 1.00 0.00 N ATOM 1223 CZ ARG B 37 22.524 7.169 14.617 1.00 0.00 C ATOM 1224 NH1 ARG B 37 22.389 6.884 13.327 1.00 0.00 N ATOM 1225 NH2 ARG B 37 23.125 8.291 14.984 1.00 0.00 N ATOM 1226 OXT ARG B 37 19.393 1.955 18.507 1.00 0.00 O ATOM 0 H ARG B 37 19.327 1.244 14.768 1.00 0.00 H new ATOM 0 HA ARG B 37 20.813 2.927 16.649 1.00 0.00 H new ATOM 0 HB2 ARG B 37 19.436 3.449 14.322 1.00 0.00 H new ATOM 0 HB3 ARG B 37 18.213 3.805 15.525 1.00 0.00 H new ATOM 0 HG2 ARG B 37 19.405 5.843 15.057 1.00 0.00 H new ATOM 0 HG3 ARG B 37 19.837 5.331 16.676 1.00 0.00 H new ATOM 0 HD2 ARG B 37 21.907 4.249 15.743 1.00 0.00 H new ATOM 0 HD3 ARG B 37 21.484 4.864 14.158 1.00 0.00 H new ATOM 0 HE ARG B 37 22.175 6.576 16.521 1.00 0.00 H new ATOM 0 HH11 ARG B 37 21.930 6.019 13.041 1.00 0.00 H new ATOM 0 HH12 ARG B 37 22.744 7.530 12.622 1.00 0.00 H new ATOM 0 HH21 ARG B 37 23.234 8.511 15.974 1.00 0.00 H new ATOM 0 HH22 ARG B 37 23.479 8.935 14.277 1.00 0.00 H new TER 1240 ARG B 37