USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 722 hydrogens (34 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 NoAdj-H: B 4 MLY H2 : B 4 MLY N : B 3 THR C :(H bumps) USER MOD NoAdj-H: B 4 MLY H : B 4 MLY N : B 3 THR C :(H bumps) USER MOD NoAdj-H: B 9 MLY H2 : B 9 MLY N : B 8 ARG C :(H bumps) USER MOD NoAdj-H: B 9 MLY H : B 9 MLY N : B 8 ARG C :(H bumps) USER MOD Single : A 8 HIS : no HD1:sc= -0.816 K(o=-0.82,f=-0.009) USER MOD Single : A 9 MET CE :methyl -159:sc= -0.213 (180deg=-0.831) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -178:sc= 0.964 (180deg=0.94) USER MOD Single : A 33 LYS NZ :NH3+ 142:sc= -3.33! (180deg=-6.08!) USER MOD Single : A 35 LYS NZ :NH3+ -165:sc= -0.0462 (180deg=-0.292) USER MOD Single : A 38 TYR OH : rot 180:sc= -0.0901 USER MOD Single : A 41 LYS NZ :NH3+ 165:sc= -0.0605 (180deg=-0.309) USER MOD Single : A 43 LYS NZ :NH3+ -165:sc= -0.0409 (180deg=-0.305) USER MOD Single : A 46 SER OG : rot 180:sc= -0.191 USER MOD Single : A 50 ASN : amide:sc= -4.29! C(o=-4.3!,f=-5.1!) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -3.73! K(o=-3.7!,f=-1) USER MOD Single : A 60 CYS SG : rot 61:sc= -1.03 USER MOD Single : A 69 GLN : amide:sc= -1.16! K(o=-1.2!,f=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 HIS : no HE2:sc= -0.903 K(o=-0.9,f=-3.1!) USER MOD Single : A 77 THR OG1 : rot 4:sc= 0.904 USER MOD Single : A 79 LYS NZ :NH3+ -144:sc= -3.1! (180deg=-5.88!) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : B 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 THR OG1 : rot 180:sc= 0 USER MOD Single : B 5 GLN : amide:sc= -1.65 K(o=-1.7,f=-3.2!) USER MOD Single : B 6 THR OG1 : rot -129:sc= -2.39! USER MOD Single : B 10 SER OG : rot -54:sc= 0.915 USER MOD Single : B 11 THR OG1 : rot -81:sc= 0.0421 USER MOD Single : B 14 LYS NZ :NH3+ 164:sc= -0.0595 (180deg=-0.31) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 8 -31.870 -0.277 19.358 1.00 0.00 N ATOM 2 CA HIS A 8 -33.118 0.082 18.634 1.00 0.00 C ATOM 3 C HIS A 8 -32.886 0.115 17.127 1.00 0.00 C ATOM 4 O HIS A 8 -31.926 0.727 16.655 1.00 0.00 O ATOM 5 CB HIS A 8 -33.583 1.456 19.128 1.00 0.00 C ATOM 6 CG HIS A 8 -34.926 1.876 18.605 1.00 0.00 C ATOM 7 ND1 HIS A 8 -35.473 3.117 18.860 1.00 0.00 N ATOM 8 CD2 HIS A 8 -35.837 1.215 17.848 1.00 0.00 C ATOM 9 CE1 HIS A 8 -36.658 3.200 18.283 1.00 0.00 C ATOM 10 NE2 HIS A 8 -36.903 2.061 17.663 1.00 0.00 N ATOM 0 HA HIS A 8 -33.882 -0.670 18.833 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -33.617 1.446 20.217 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -32.843 2.203 18.839 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -35.742 0.211 17.463 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -37.316 4.056 18.313 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -37.747 1.844 17.133 1.00 0.00 H new ATOM 21 N MET A 9 -33.775 -0.546 16.381 1.00 0.00 N ATOM 22 CA MET A 9 -33.692 -0.606 14.919 1.00 0.00 C ATOM 23 C MET A 9 -32.249 -0.769 14.443 1.00 0.00 C ATOM 24 O MET A 9 -31.798 -0.068 13.537 1.00 0.00 O ATOM 25 CB MET A 9 -34.330 0.638 14.283 1.00 0.00 C ATOM 26 CG MET A 9 -33.681 1.953 14.684 1.00 0.00 C ATOM 27 SD MET A 9 -34.452 3.378 13.892 1.00 0.00 S ATOM 28 CE MET A 9 -34.170 2.998 12.164 1.00 0.00 C ATOM 0 H MET A 9 -34.570 -1.053 16.771 1.00 0.00 H new ATOM 0 HA MET A 9 -34.250 -1.485 14.598 1.00 0.00 H new ATOM 0 HB2 MET A 9 -34.284 0.540 13.198 1.00 0.00 H new ATOM 0 HB3 MET A 9 -35.385 0.670 14.556 1.00 0.00 H new ATOM 0 HG2 MET A 9 -33.740 2.068 15.766 1.00 0.00 H new ATOM 0 HG3 MET A 9 -32.623 1.926 14.424 1.00 0.00 H new ATOM 0 HE1 MET A 9 -34.239 3.912 11.575 1.00 0.00 H new ATOM 0 HE2 MET A 9 -33.178 2.563 12.044 1.00 0.00 H new ATOM 0 HE3 MET A 9 -34.922 2.288 11.820 1.00 0.00 H new ATOM 38 N VAL A 10 -31.532 -1.704 15.061 1.00 0.00 N ATOM 39 CA VAL A 10 -30.142 -1.965 14.702 1.00 0.00 C ATOM 40 C VAL A 10 -30.024 -2.387 13.241 1.00 0.00 C ATOM 41 O VAL A 10 -30.782 -3.234 12.766 1.00 0.00 O ATOM 42 CB VAL A 10 -29.530 -3.062 15.594 1.00 0.00 C ATOM 43 CG1 VAL A 10 -28.060 -3.269 15.260 1.00 0.00 C ATOM 44 CG2 VAL A 10 -29.705 -2.714 17.065 1.00 0.00 C ATOM 0 H VAL A 10 -31.891 -2.293 15.812 1.00 0.00 H new ATOM 0 HA VAL A 10 -29.593 -1.036 14.854 1.00 0.00 H new ATOM 0 HB VAL A 10 -30.057 -3.996 15.399 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -27.647 -4.048 15.901 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -27.963 -3.569 14.217 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -27.515 -2.339 15.422 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -29.267 -3.500 17.680 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -29.207 -1.768 17.277 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -30.767 -2.624 17.294 1.00 0.00 H new ATOM 54 N GLU A 11 -29.069 -1.790 12.532 1.00 0.00 N ATOM 55 CA GLU A 11 -28.852 -2.102 11.122 1.00 0.00 C ATOM 56 C GLU A 11 -28.294 -3.514 10.949 1.00 0.00 C ATOM 57 O GLU A 11 -28.589 -4.409 11.742 1.00 0.00 O ATOM 58 CB GLU A 11 -27.901 -1.076 10.498 1.00 0.00 C ATOM 59 CG GLU A 11 -28.440 0.346 10.525 1.00 0.00 C ATOM 60 CD GLU A 11 -27.488 1.342 9.893 1.00 0.00 C ATOM 61 OE1 GLU A 11 -26.346 1.467 10.385 1.00 0.00 O ATOM 62 OE2 GLU A 11 -27.882 1.996 8.905 1.00 0.00 O ATOM 0 H GLU A 11 -28.433 -1.088 12.911 1.00 0.00 H new ATOM 0 HA GLU A 11 -29.814 -2.055 10.611 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -26.949 -1.105 11.028 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -27.700 -1.360 9.465 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -29.395 0.379 10.001 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -28.633 0.638 11.557 1.00 0.00 H new ATOM 69 N GLU A 12 -27.491 -3.711 9.905 1.00 0.00 N ATOM 70 CA GLU A 12 -26.900 -5.016 9.630 1.00 0.00 C ATOM 71 C GLU A 12 -25.723 -5.294 10.561 1.00 0.00 C ATOM 72 O GLU A 12 -25.654 -6.348 11.192 1.00 0.00 O ATOM 73 CB GLU A 12 -26.442 -5.094 8.172 1.00 0.00 C ATOM 74 CG GLU A 12 -25.865 -6.447 7.787 1.00 0.00 C ATOM 75 CD GLU A 12 -26.874 -7.571 7.926 1.00 0.00 C ATOM 76 OE1 GLU A 12 -27.922 -7.516 7.248 1.00 0.00 O ATOM 77 OE2 GLU A 12 -26.616 -8.505 8.713 1.00 0.00 O ATOM 0 H GLU A 12 -27.236 -2.983 9.237 1.00 0.00 H new ATOM 0 HA GLU A 12 -27.663 -5.774 9.807 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -27.288 -4.871 7.522 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -25.691 -4.324 7.994 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -25.510 -6.407 6.757 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -24.999 -6.661 8.414 1.00 0.00 H new ATOM 84 N VAL A 13 -24.796 -4.340 10.637 1.00 0.00 N ATOM 85 CA VAL A 13 -23.618 -4.479 11.486 1.00 0.00 C ATOM 86 C VAL A 13 -22.827 -5.734 11.116 1.00 0.00 C ATOM 87 O VAL A 13 -22.490 -6.551 11.974 1.00 0.00 O ATOM 88 CB VAL A 13 -23.999 -4.528 12.982 1.00 0.00 C ATOM 89 CG1 VAL A 13 -22.760 -4.429 13.860 1.00 0.00 C ATOM 90 CG2 VAL A 13 -24.986 -3.421 13.318 1.00 0.00 C ATOM 0 H VAL A 13 -24.840 -3.462 10.119 1.00 0.00 H new ATOM 0 HA VAL A 13 -22.995 -3.600 11.318 1.00 0.00 H new ATOM 0 HB VAL A 13 -24.478 -5.487 13.180 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -23.054 -4.466 14.909 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -22.091 -5.262 13.641 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -22.246 -3.489 13.660 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -25.243 -3.471 14.376 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -24.535 -2.453 13.100 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -25.889 -3.544 12.719 1.00 0.00 H new ATOM 100 N LEU A 14 -22.539 -5.882 9.824 1.00 0.00 N ATOM 101 CA LEU A 14 -21.792 -7.034 9.329 1.00 0.00 C ATOM 102 C LEU A 14 -21.465 -6.866 7.846 1.00 0.00 C ATOM 103 O LEU A 14 -21.713 -7.759 7.034 1.00 0.00 O ATOM 104 CB LEU A 14 -22.592 -8.324 9.556 1.00 0.00 C ATOM 105 CG LEU A 14 -21.849 -9.623 9.231 1.00 0.00 C ATOM 106 CD1 LEU A 14 -20.616 -9.771 10.110 1.00 0.00 C ATOM 107 CD2 LEU A 14 -22.773 -10.820 9.400 1.00 0.00 C ATOM 0 H LEU A 14 -22.813 -5.217 9.101 1.00 0.00 H new ATOM 0 HA LEU A 14 -20.855 -7.101 9.882 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -22.908 -8.357 10.599 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -23.497 -8.282 8.950 1.00 0.00 H new ATOM 0 HG LEU A 14 -21.524 -9.582 8.192 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -20.103 -10.700 9.863 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -19.945 -8.929 9.940 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -20.916 -9.790 11.158 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -22.230 -11.735 9.165 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -23.128 -10.863 10.430 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -23.624 -10.721 8.726 1.00 0.00 H new ATOM 119 N GLU A 15 -20.909 -5.709 7.499 1.00 0.00 N ATOM 120 CA GLU A 15 -20.548 -5.412 6.116 1.00 0.00 C ATOM 121 C GLU A 15 -19.329 -4.498 6.057 1.00 0.00 C ATOM 122 O GLU A 15 -19.234 -3.524 6.803 1.00 0.00 O ATOM 123 CB GLU A 15 -21.719 -4.753 5.383 1.00 0.00 C ATOM 124 CG GLU A 15 -22.953 -5.635 5.275 1.00 0.00 C ATOM 125 CD GLU A 15 -24.095 -4.954 4.547 1.00 0.00 C ATOM 126 OE1 GLU A 15 -24.556 -3.895 5.023 1.00 0.00 O ATOM 127 OE2 GLU A 15 -24.529 -5.479 3.500 1.00 0.00 O ATOM 0 H GLU A 15 -20.698 -4.960 8.158 1.00 0.00 H new ATOM 0 HA GLU A 15 -20.305 -6.355 5.626 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -21.987 -3.832 5.901 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -21.396 -4.473 4.380 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -22.692 -6.556 4.753 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -23.282 -5.917 6.275 1.00 0.00 H new ATOM 134 N GLU A 16 -18.398 -4.821 5.164 1.00 0.00 N ATOM 135 CA GLU A 16 -17.182 -4.033 5.003 1.00 0.00 C ATOM 136 C GLU A 16 -16.386 -4.506 3.789 1.00 0.00 C ATOM 137 O GLU A 16 -15.849 -3.694 3.034 1.00 0.00 O ATOM 138 CB GLU A 16 -16.312 -4.110 6.264 1.00 0.00 C ATOM 139 CG GLU A 16 -15.732 -5.491 6.554 1.00 0.00 C ATOM 140 CD GLU A 16 -16.774 -6.508 6.985 1.00 0.00 C ATOM 141 OE1 GLU A 16 -17.586 -6.932 6.136 1.00 0.00 O ATOM 142 OE2 GLU A 16 -16.780 -6.881 8.177 1.00 0.00 O ATOM 0 H GLU A 16 -18.464 -5.625 4.540 1.00 0.00 H new ATOM 0 HA GLU A 16 -17.475 -2.995 4.845 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -15.491 -3.399 6.167 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -16.908 -3.794 7.120 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -15.225 -5.858 5.662 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -14.977 -5.402 7.336 1.00 0.00 H new ATOM 149 N GLU A 17 -16.315 -5.822 3.610 1.00 0.00 N ATOM 150 CA GLU A 17 -15.586 -6.411 2.491 1.00 0.00 C ATOM 151 C GLU A 17 -14.132 -5.941 2.491 1.00 0.00 C ATOM 152 O GLU A 17 -13.581 -5.575 1.451 1.00 0.00 O ATOM 153 CB GLU A 17 -16.269 -6.051 1.165 1.00 0.00 C ATOM 154 CG GLU A 17 -15.714 -6.801 -0.039 1.00 0.00 C ATOM 155 CD GLU A 17 -15.946 -8.300 0.037 1.00 0.00 C ATOM 156 OE1 GLU A 17 -16.587 -8.758 1.007 1.00 0.00 O ATOM 157 OE2 GLU A 17 -15.488 -9.017 -0.878 1.00 0.00 O ATOM 0 H GLU A 17 -16.755 -6.503 4.228 1.00 0.00 H new ATOM 0 HA GLU A 17 -15.594 -7.495 2.603 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -17.336 -6.258 1.249 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -16.165 -4.980 0.993 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -16.176 -6.413 -0.947 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -14.644 -6.608 -0.119 1.00 0.00 H new ATOM 164 N GLU A 18 -13.516 -5.951 3.670 1.00 0.00 N ATOM 165 CA GLU A 18 -12.127 -5.528 3.814 1.00 0.00 C ATOM 166 C GLU A 18 -11.163 -6.637 3.405 1.00 0.00 C ATOM 167 O GLU A 18 -10.196 -6.923 4.111 1.00 0.00 O ATOM 168 CB GLU A 18 -11.851 -5.097 5.249 1.00 0.00 C ATOM 169 CG GLU A 18 -12.656 -3.887 5.689 1.00 0.00 C ATOM 170 CD GLU A 18 -12.351 -3.476 7.116 1.00 0.00 C ATOM 171 OE1 GLU A 18 -12.568 -4.299 8.029 1.00 0.00 O ATOM 172 OE2 GLU A 18 -11.893 -2.332 7.319 1.00 0.00 O ATOM 0 H GLU A 18 -13.958 -6.248 4.540 1.00 0.00 H new ATOM 0 HA GLU A 18 -11.967 -4.679 3.149 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -12.069 -5.930 5.917 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -10.789 -4.874 5.354 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -12.446 -3.052 5.021 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -13.719 -4.109 5.597 1.00 0.00 H new ATOM 179 N GLU A 19 -11.430 -7.258 2.262 1.00 0.00 N ATOM 180 CA GLU A 19 -10.583 -8.333 1.761 1.00 0.00 C ATOM 181 C GLU A 19 -9.149 -7.854 1.574 1.00 0.00 C ATOM 182 O GLU A 19 -8.911 -6.806 0.978 1.00 0.00 O ATOM 183 CB GLU A 19 -11.122 -8.853 0.438 1.00 0.00 C ATOM 184 CG GLU A 19 -10.392 -10.085 -0.064 1.00 0.00 C ATOM 185 CD GLU A 19 -10.462 -11.255 0.900 1.00 0.00 C ATOM 186 OE1 GLU A 19 -9.930 -11.137 2.025 1.00 0.00 O ATOM 187 OE2 GLU A 19 -11.049 -12.294 0.529 1.00 0.00 O ATOM 0 H GLU A 19 -12.226 -7.035 1.665 1.00 0.00 H new ATOM 0 HA GLU A 19 -10.589 -9.137 2.497 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -12.180 -9.087 0.552 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -11.049 -8.065 -0.311 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -10.816 -10.386 -1.022 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -9.347 -9.832 -0.244 1.00 0.00 H new ATOM 194 N GLU A 20 -8.195 -8.627 2.085 1.00 0.00 N ATOM 195 CA GLU A 20 -6.786 -8.274 1.966 1.00 0.00 C ATOM 196 C GLU A 20 -6.234 -8.680 0.604 1.00 0.00 C ATOM 197 O GLU A 20 -6.199 -9.864 0.267 1.00 0.00 O ATOM 198 CB GLU A 20 -5.974 -8.944 3.075 1.00 0.00 C ATOM 199 CG GLU A 20 -6.491 -8.644 4.473 1.00 0.00 C ATOM 200 CD GLU A 20 -5.687 -9.340 5.554 1.00 0.00 C ATOM 201 OE1 GLU A 20 -4.471 -9.074 5.654 1.00 0.00 O ATOM 202 OE2 GLU A 20 -6.275 -10.149 6.302 1.00 0.00 O ATOM 0 H GLU A 20 -8.372 -9.499 2.584 1.00 0.00 H new ATOM 0 HA GLU A 20 -6.702 -7.192 2.065 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.981 -10.023 2.918 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -4.937 -8.618 3.002 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -6.465 -7.568 4.643 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -7.534 -8.953 4.545 1.00 0.00 H new ATOM 209 N TYR A 21 -5.796 -7.694 -0.172 1.00 0.00 N ATOM 210 CA TYR A 21 -5.235 -7.953 -1.494 1.00 0.00 C ATOM 211 C TYR A 21 -3.724 -8.143 -1.411 1.00 0.00 C ATOM 212 O TYR A 21 -3.023 -7.344 -0.787 1.00 0.00 O ATOM 213 CB TYR A 21 -5.573 -6.811 -2.457 1.00 0.00 C ATOM 214 CG TYR A 21 -7.034 -6.760 -2.855 1.00 0.00 C ATOM 215 CD1 TYR A 21 -8.035 -6.663 -1.897 1.00 0.00 C ATOM 216 CD2 TYR A 21 -7.408 -6.808 -4.192 1.00 0.00 C ATOM 217 CE1 TYR A 21 -9.367 -6.616 -2.260 1.00 0.00 C ATOM 218 CE2 TYR A 21 -8.739 -6.760 -4.562 1.00 0.00 C ATOM 219 CZ TYR A 21 -9.714 -6.665 -3.592 1.00 0.00 C ATOM 220 OH TYR A 21 -11.040 -6.618 -3.956 1.00 0.00 O ATOM 0 H TYR A 21 -5.818 -6.709 0.091 1.00 0.00 H new ATOM 0 HA TYR A 21 -5.679 -8.872 -1.876 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -5.299 -5.864 -1.993 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -4.964 -6.914 -3.356 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -7.768 -6.624 -0.851 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -6.647 -6.884 -4.954 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -10.133 -6.541 -1.502 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -9.014 -6.797 -5.606 1.00 0.00 H new ATOM 0 HH TYR A 21 -11.113 -6.662 -4.932 1.00 0.00 H new ATOM 230 N VAL A 22 -3.227 -9.207 -2.035 1.00 0.00 N ATOM 231 CA VAL A 22 -1.798 -9.500 -2.022 1.00 0.00 C ATOM 232 C VAL A 22 -0.996 -8.389 -2.691 1.00 0.00 C ATOM 233 O VAL A 22 -1.220 -8.060 -3.856 1.00 0.00 O ATOM 234 CB VAL A 22 -1.489 -10.832 -2.733 1.00 0.00 C ATOM 235 CG1 VAL A 22 -0.003 -11.148 -2.659 1.00 0.00 C ATOM 236 CG2 VAL A 22 -2.310 -11.961 -2.133 1.00 0.00 C ATOM 0 H VAL A 22 -3.791 -9.879 -2.555 1.00 0.00 H new ATOM 0 HA VAL A 22 -1.506 -9.575 -0.974 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.763 -10.732 -3.783 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.194 -12.092 -3.167 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.563 -10.351 -3.142 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.301 -11.227 -1.615 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.078 -12.893 -2.648 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.071 -12.062 -1.074 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.371 -11.739 -2.245 1.00 0.00 H new ATOM 246 N VAL A 23 -0.050 -7.824 -1.947 1.00 0.00 N ATOM 247 CA VAL A 23 0.800 -6.761 -2.467 1.00 0.00 C ATOM 248 C VAL A 23 2.124 -7.333 -2.964 1.00 0.00 C ATOM 249 O VAL A 23 2.800 -8.068 -2.243 1.00 0.00 O ATOM 250 CB VAL A 23 1.084 -5.688 -1.397 1.00 0.00 C ATOM 251 CG1 VAL A 23 1.956 -4.578 -1.968 1.00 0.00 C ATOM 252 CG2 VAL A 23 -0.217 -5.122 -0.850 1.00 0.00 C ATOM 0 H VAL A 23 0.147 -8.086 -0.981 1.00 0.00 H new ATOM 0 HA VAL A 23 0.265 -6.295 -3.294 1.00 0.00 H new ATOM 0 HB VAL A 23 1.625 -6.157 -0.575 1.00 0.00 H new ATOM 0 HG11 VAL A 23 2.145 -3.831 -1.197 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.903 -4.997 -2.307 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.445 -4.110 -2.809 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.003 -4.366 -0.096 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.787 -4.669 -1.662 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.802 -5.924 -0.400 1.00 0.00 H new ATOM 262 N GLU A 24 2.488 -6.997 -4.196 1.00 0.00 N ATOM 263 CA GLU A 24 3.731 -7.487 -4.780 1.00 0.00 C ATOM 264 C GLU A 24 4.940 -6.800 -4.153 1.00 0.00 C ATOM 265 O GLU A 24 5.895 -7.460 -3.743 1.00 0.00 O ATOM 266 CB GLU A 24 3.735 -7.266 -6.293 1.00 0.00 C ATOM 267 CG GLU A 24 4.994 -7.777 -6.975 1.00 0.00 C ATOM 268 CD GLU A 24 4.981 -7.550 -8.475 1.00 0.00 C ATOM 269 OE1 GLU A 24 3.990 -6.983 -8.984 1.00 0.00 O ATOM 270 OE2 GLU A 24 5.964 -7.939 -9.142 1.00 0.00 O ATOM 0 H GLU A 24 1.943 -6.390 -4.808 1.00 0.00 H new ATOM 0 HA GLU A 24 3.797 -8.556 -4.576 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.868 -7.764 -6.728 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.627 -6.201 -6.497 1.00 0.00 H new ATOM 0 HG2 GLU A 24 5.863 -7.280 -6.544 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.104 -8.843 -6.774 1.00 0.00 H new ATOM 277 N LYS A 25 4.894 -5.471 -4.089 1.00 0.00 N ATOM 278 CA LYS A 25 5.988 -4.690 -3.520 1.00 0.00 C ATOM 279 C LYS A 25 5.668 -3.212 -3.533 1.00 0.00 C ATOM 280 O LYS A 25 5.173 -2.670 -4.521 1.00 0.00 O ATOM 281 CB LYS A 25 7.285 -4.947 -4.293 1.00 0.00 C ATOM 282 CG LYS A 25 8.500 -4.242 -3.709 1.00 0.00 C ATOM 283 CD LYS A 25 8.834 -4.756 -2.315 1.00 0.00 C ATOM 284 CE LYS A 25 9.124 -6.250 -2.322 1.00 0.00 C ATOM 285 NZ LYS A 25 10.247 -6.596 -3.237 1.00 0.00 N ATOM 0 H LYS A 25 4.109 -4.913 -4.425 1.00 0.00 H new ATOM 0 HA LYS A 25 6.119 -5.005 -2.485 1.00 0.00 H new ATOM 0 HB2 LYS A 25 7.476 -6.020 -4.317 1.00 0.00 H new ATOM 0 HB3 LYS A 25 7.151 -4.624 -5.326 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.357 -4.390 -4.366 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.312 -3.169 -3.666 1.00 0.00 H new ATOM 0 HD2 LYS A 25 9.699 -4.219 -1.926 1.00 0.00 H new ATOM 0 HD3 LYS A 25 8.002 -4.550 -1.642 1.00 0.00 H new ATOM 0 HE2 LYS A 25 9.366 -6.577 -1.311 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.228 -6.792 -2.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 10.389 -7.626 -3.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 10.020 -6.277 -4.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 11.116 -6.127 -2.912 1.00 0.00 H new ATOM 299 N VAL A 26 5.963 -2.572 -2.417 1.00 0.00 N ATOM 300 CA VAL A 26 5.729 -1.162 -2.254 1.00 0.00 C ATOM 301 C VAL A 26 6.453 -0.365 -3.336 1.00 0.00 C ATOM 302 O VAL A 26 7.660 -0.514 -3.526 1.00 0.00 O ATOM 303 CB VAL A 26 6.207 -0.720 -0.871 1.00 0.00 C ATOM 304 CG1 VAL A 26 5.969 0.750 -0.692 1.00 0.00 C ATOM 305 CG2 VAL A 26 5.501 -1.516 0.217 1.00 0.00 C ATOM 0 H VAL A 26 6.373 -3.023 -1.599 1.00 0.00 H new ATOM 0 HA VAL A 26 4.660 -0.972 -2.347 1.00 0.00 H new ATOM 0 HB VAL A 26 7.277 -0.912 -0.790 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.312 1.057 0.296 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.518 1.303 -1.455 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.904 0.960 -0.787 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.854 -1.188 1.195 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.425 -1.354 0.146 1.00 0.00 H new ATOM 0 HG23 VAL A 26 5.718 -2.577 0.090 1.00 0.00 H new ATOM 315 N LEU A 27 5.704 0.467 -4.054 1.00 0.00 N ATOM 316 CA LEU A 27 6.272 1.269 -5.132 1.00 0.00 C ATOM 317 C LEU A 27 6.854 2.586 -4.626 1.00 0.00 C ATOM 318 O LEU A 27 8.007 2.905 -4.912 1.00 0.00 O ATOM 319 CB LEU A 27 5.211 1.548 -6.198 1.00 0.00 C ATOM 320 CG LEU A 27 4.603 0.308 -6.858 1.00 0.00 C ATOM 321 CD1 LEU A 27 3.519 0.708 -7.846 1.00 0.00 C ATOM 322 CD2 LEU A 27 5.683 -0.510 -7.554 1.00 0.00 C ATOM 0 H LEU A 27 4.704 0.603 -3.909 1.00 0.00 H new ATOM 0 HA LEU A 27 7.088 0.692 -5.567 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.408 2.128 -5.744 1.00 0.00 H new ATOM 0 HB3 LEU A 27 5.655 2.171 -6.974 1.00 0.00 H new ATOM 0 HG LEU A 27 4.151 -0.309 -6.081 1.00 0.00 H new ATOM 0 HD11 LEU A 27 3.098 -0.186 -8.306 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.733 1.252 -7.323 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.948 1.345 -8.619 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.233 -1.388 -8.018 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.164 0.099 -8.320 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.427 -0.827 -6.823 1.00 0.00 H new ATOM 334 N ASP A 28 6.055 3.361 -3.895 1.00 0.00 N ATOM 335 CA ASP A 28 6.531 4.654 -3.395 1.00 0.00 C ATOM 336 C ASP A 28 5.771 5.106 -2.149 1.00 0.00 C ATOM 337 O ASP A 28 4.579 4.856 -2.010 1.00 0.00 O ATOM 338 CB ASP A 28 6.394 5.713 -4.493 1.00 0.00 C ATOM 339 CG ASP A 28 7.055 7.030 -4.134 1.00 0.00 C ATOM 340 OD1 ASP A 28 7.726 7.098 -3.084 1.00 0.00 O ATOM 341 OD2 ASP A 28 6.912 7.995 -4.916 1.00 0.00 O ATOM 0 H ASP A 28 5.096 3.126 -3.639 1.00 0.00 H new ATOM 0 HA ASP A 28 7.578 4.533 -3.117 1.00 0.00 H new ATOM 0 HB2 ASP A 28 6.834 5.332 -5.414 1.00 0.00 H new ATOM 0 HB3 ASP A 28 5.337 5.886 -4.693 1.00 0.00 H new ATOM 346 N ARG A 29 6.475 5.796 -1.254 1.00 0.00 N ATOM 347 CA ARG A 29 5.873 6.306 -0.026 1.00 0.00 C ATOM 348 C ARG A 29 5.470 7.765 -0.206 1.00 0.00 C ATOM 349 O ARG A 29 6.125 8.512 -0.934 1.00 0.00 O ATOM 350 CB ARG A 29 6.845 6.181 1.148 1.00 0.00 C ATOM 351 CG ARG A 29 6.278 6.703 2.459 1.00 0.00 C ATOM 352 CD ARG A 29 7.310 6.665 3.573 1.00 0.00 C ATOM 353 NE ARG A 29 6.757 7.136 4.840 1.00 0.00 N ATOM 354 CZ ARG A 29 7.459 7.228 5.966 1.00 0.00 C ATOM 355 NH1 ARG A 29 8.741 6.890 5.981 1.00 0.00 N ATOM 356 NH2 ARG A 29 6.879 7.658 7.078 1.00 0.00 N ATOM 0 H ARG A 29 7.466 6.015 -1.358 1.00 0.00 H new ATOM 0 HA ARG A 29 4.986 5.711 0.191 1.00 0.00 H new ATOM 0 HB2 ARG A 29 7.121 5.134 1.271 1.00 0.00 H new ATOM 0 HB3 ARG A 29 7.759 6.726 0.913 1.00 0.00 H new ATOM 0 HG2 ARG A 29 5.928 7.726 2.322 1.00 0.00 H new ATOM 0 HG3 ARG A 29 5.412 6.105 2.745 1.00 0.00 H new ATOM 0 HD2 ARG A 29 7.678 5.646 3.693 1.00 0.00 H new ATOM 0 HD3 ARG A 29 8.165 7.282 3.298 1.00 0.00 H new ATOM 0 HE ARG A 29 5.775 7.410 4.863 1.00 0.00 H new ATOM 0 HH11 ARG A 29 9.191 6.559 5.128 1.00 0.00 H new ATOM 0 HH12 ARG A 29 9.277 6.961 6.846 1.00 0.00 H new ATOM 0 HH21 ARG A 29 5.893 7.919 7.071 1.00 0.00 H new ATOM 0 HH22 ARG A 29 7.419 7.728 7.941 1.00 0.00 H new ATOM 370 N ARG A 30 4.380 8.162 0.442 1.00 0.00 N ATOM 371 CA ARG A 30 3.888 9.529 0.326 1.00 0.00 C ATOM 372 C ARG A 30 3.088 9.941 1.557 1.00 0.00 C ATOM 373 O ARG A 30 2.633 9.098 2.331 1.00 0.00 O ATOM 374 CB ARG A 30 3.025 9.654 -0.927 1.00 0.00 C ATOM 375 CG ARG A 30 2.549 11.061 -1.223 1.00 0.00 C ATOM 376 CD ARG A 30 1.814 11.121 -2.551 1.00 0.00 C ATOM 377 NE ARG A 30 1.185 12.416 -2.757 1.00 0.00 N ATOM 378 CZ ARG A 30 0.505 12.746 -3.852 1.00 0.00 C ATOM 379 NH1 ARG A 30 0.373 11.875 -4.845 1.00 0.00 N ATOM 380 NH2 ARG A 30 -0.044 13.948 -3.954 1.00 0.00 N ATOM 0 H ARG A 30 3.824 7.560 1.049 1.00 0.00 H new ATOM 0 HA ARG A 30 4.746 10.197 0.251 1.00 0.00 H new ATOM 0 HB2 ARG A 30 3.593 9.289 -1.782 1.00 0.00 H new ATOM 0 HB3 ARG A 30 2.156 9.005 -0.821 1.00 0.00 H new ATOM 0 HG2 ARG A 30 1.891 11.401 -0.424 1.00 0.00 H new ATOM 0 HG3 ARG A 30 3.402 11.740 -1.245 1.00 0.00 H new ATOM 0 HD2 ARG A 30 2.513 10.922 -3.364 1.00 0.00 H new ATOM 0 HD3 ARG A 30 1.056 10.338 -2.584 1.00 0.00 H new ATOM 0 HE ARG A 30 1.270 13.113 -2.017 1.00 0.00 H new ATOM 0 HH11 ARG A 30 0.794 10.949 -4.770 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -0.149 12.132 -5.683 1.00 0.00 H new ATOM 0 HH21 ARG A 30 0.055 14.620 -3.193 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -0.565 14.201 -4.793 1.00 0.00 H new ATOM 394 N VAL A 31 2.920 11.249 1.725 1.00 0.00 N ATOM 395 CA VAL A 31 2.174 11.799 2.852 1.00 0.00 C ATOM 396 C VAL A 31 1.464 13.092 2.470 1.00 0.00 C ATOM 397 O VAL A 31 2.020 13.947 1.780 1.00 0.00 O ATOM 398 CB VAL A 31 3.086 12.062 4.073 1.00 0.00 C ATOM 399 CG1 VAL A 31 2.441 13.053 5.034 1.00 0.00 C ATOM 400 CG2 VAL A 31 3.389 10.764 4.799 1.00 0.00 C ATOM 0 H VAL A 31 3.294 11.953 1.089 1.00 0.00 H new ATOM 0 HA VAL A 31 1.432 11.049 3.125 1.00 0.00 H new ATOM 0 HB VAL A 31 4.018 12.492 3.707 1.00 0.00 H new ATOM 0 HG11 VAL A 31 3.103 13.220 5.883 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.266 13.998 4.519 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.491 12.651 5.388 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.032 10.968 5.655 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.458 10.314 5.143 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.895 10.077 4.121 1.00 0.00 H new ATOM 410 N VAL A 32 0.234 13.221 2.945 1.00 0.00 N ATOM 411 CA VAL A 32 -0.582 14.396 2.692 1.00 0.00 C ATOM 412 C VAL A 32 -1.640 14.528 3.779 1.00 0.00 C ATOM 413 O VAL A 32 -2.354 13.570 4.076 1.00 0.00 O ATOM 414 CB VAL A 32 -1.263 14.329 1.307 1.00 0.00 C ATOM 415 CG1 VAL A 32 -2.074 13.051 1.169 1.00 0.00 C ATOM 416 CG2 VAL A 32 -2.138 15.554 1.078 1.00 0.00 C ATOM 0 H VAL A 32 -0.226 12.512 3.517 1.00 0.00 H new ATOM 0 HA VAL A 32 0.072 15.268 2.702 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.485 14.321 0.543 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.545 13.024 0.187 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -1.416 12.189 1.280 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -2.843 13.023 1.941 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.608 15.487 0.097 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -2.909 15.600 1.847 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -1.524 16.454 1.125 1.00 0.00 H new ATOM 426 N LYS A 33 -1.718 15.706 4.388 1.00 0.00 N ATOM 427 CA LYS A 33 -2.674 15.941 5.461 1.00 0.00 C ATOM 428 C LYS A 33 -2.390 14.991 6.628 1.00 0.00 C ATOM 429 O LYS A 33 -3.303 14.493 7.285 1.00 0.00 O ATOM 430 CB LYS A 33 -4.107 15.755 4.940 1.00 0.00 C ATOM 431 CG LYS A 33 -5.192 16.061 5.964 1.00 0.00 C ATOM 432 CD LYS A 33 -6.589 15.943 5.369 1.00 0.00 C ATOM 433 CE LYS A 33 -6.889 17.066 4.383 1.00 0.00 C ATOM 434 NZ LYS A 33 -6.052 16.981 3.155 1.00 0.00 N ATOM 0 H LYS A 33 -1.133 16.509 4.158 1.00 0.00 H new ATOM 0 HA LYS A 33 -2.571 16.966 5.817 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.252 16.398 4.072 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -4.226 14.727 4.598 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.098 15.376 6.807 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.048 17.069 6.354 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -6.688 14.982 4.864 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -7.327 15.959 6.171 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -7.942 17.030 4.105 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.720 18.027 4.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.621 17.252 2.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.240 17.625 3.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.709 16.007 3.036 1.00 0.00 H new ATOM 448 N GLY A 34 -1.104 14.738 6.877 1.00 0.00 N ATOM 449 CA GLY A 34 -0.720 13.848 7.957 1.00 0.00 C ATOM 450 C GLY A 34 -0.870 12.386 7.587 1.00 0.00 C ATOM 451 O GLY A 34 -0.219 11.521 8.172 1.00 0.00 O ATOM 0 H GLY A 34 -0.326 15.134 6.350 1.00 0.00 H new ATOM 0 HA2 GLY A 34 0.316 14.045 8.234 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -1.331 14.062 8.834 1.00 0.00 H new ATOM 455 N LYS A 35 -1.737 12.112 6.618 1.00 0.00 N ATOM 456 CA LYS A 35 -1.982 10.753 6.169 1.00 0.00 C ATOM 457 C LYS A 35 -0.701 10.099 5.676 1.00 0.00 C ATOM 458 O LYS A 35 0.192 10.767 5.151 1.00 0.00 O ATOM 459 CB LYS A 35 -3.029 10.743 5.058 1.00 0.00 C ATOM 460 CG LYS A 35 -4.290 11.515 5.404 1.00 0.00 C ATOM 461 CD LYS A 35 -4.964 10.978 6.658 1.00 0.00 C ATOM 462 CE LYS A 35 -5.459 9.554 6.464 1.00 0.00 C ATOM 463 NZ LYS A 35 -6.458 9.459 5.363 1.00 0.00 N ATOM 0 H LYS A 35 -2.283 12.821 6.128 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.354 10.182 7.019 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.591 11.165 4.154 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.296 9.711 4.831 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -4.043 12.567 5.548 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -4.987 11.463 4.568 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -4.261 11.009 7.491 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -5.802 11.622 6.925 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -4.613 8.902 6.244 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -5.905 9.195 7.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -6.955 8.548 5.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -7.145 10.235 5.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -5.972 9.528 4.446 1.00 0.00 H new ATOM 477 N VAL A 36 -0.620 8.791 5.853 1.00 0.00 N ATOM 478 CA VAL A 36 0.550 8.030 5.431 1.00 0.00 C ATOM 479 C VAL A 36 0.180 7.044 4.329 1.00 0.00 C ATOM 480 O VAL A 36 0.000 5.855 4.590 1.00 0.00 O ATOM 481 CB VAL A 36 1.169 7.246 6.603 1.00 0.00 C ATOM 482 CG1 VAL A 36 2.590 6.826 6.270 1.00 0.00 C ATOM 483 CG2 VAL A 36 1.132 8.058 7.886 1.00 0.00 C ATOM 0 H VAL A 36 -1.352 8.230 6.288 1.00 0.00 H new ATOM 0 HA VAL A 36 1.280 8.749 5.059 1.00 0.00 H new ATOM 0 HB VAL A 36 0.573 6.348 6.762 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.012 6.273 7.109 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.584 6.191 5.384 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.196 7.712 6.078 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.576 7.479 8.696 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.695 8.981 7.749 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.098 8.298 8.135 1.00 0.00 H new ATOM 493 N GLU A 37 0.053 7.535 3.099 1.00 0.00 N ATOM 494 CA GLU A 37 -0.312 6.671 1.986 1.00 0.00 C ATOM 495 C GLU A 37 0.921 6.034 1.355 1.00 0.00 C ATOM 496 O GLU A 37 1.857 6.724 0.949 1.00 0.00 O ATOM 497 CB GLU A 37 -1.091 7.463 0.929 1.00 0.00 C ATOM 498 CG GLU A 37 -0.269 8.538 0.233 1.00 0.00 C ATOM 499 CD GLU A 37 -1.083 9.339 -0.765 1.00 0.00 C ATOM 500 OE1 GLU A 37 -2.071 9.978 -0.347 1.00 0.00 O ATOM 501 OE2 GLU A 37 -0.732 9.327 -1.963 1.00 0.00 O ATOM 0 H GLU A 37 0.196 8.514 2.852 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.946 5.875 2.375 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -1.474 6.770 0.180 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -1.955 7.930 1.403 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.148 9.212 0.981 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.572 8.072 -0.280 1.00 0.00 H new ATOM 508 N TYR A 38 0.894 4.713 1.249 1.00 0.00 N ATOM 509 CA TYR A 38 1.984 3.970 0.633 1.00 0.00 C ATOM 510 C TYR A 38 1.520 3.403 -0.692 1.00 0.00 C ATOM 511 O TYR A 38 0.356 3.037 -0.844 1.00 0.00 O ATOM 512 CB TYR A 38 2.481 2.831 1.524 1.00 0.00 C ATOM 513 CG TYR A 38 3.488 3.250 2.570 1.00 0.00 C ATOM 514 CD1 TYR A 38 3.092 3.909 3.725 1.00 0.00 C ATOM 515 CD2 TYR A 38 4.841 2.979 2.397 1.00 0.00 C ATOM 516 CE1 TYR A 38 4.018 4.287 4.679 1.00 0.00 C ATOM 517 CE2 TYR A 38 5.770 3.355 3.346 1.00 0.00 C ATOM 518 CZ TYR A 38 5.354 4.007 4.485 1.00 0.00 C ATOM 519 OH TYR A 38 6.276 4.381 5.435 1.00 0.00 O ATOM 0 H TYR A 38 0.125 4.132 1.583 1.00 0.00 H new ATOM 0 HA TYR A 38 2.813 4.662 0.485 1.00 0.00 H new ATOM 0 HB2 TYR A 38 1.625 2.376 2.023 1.00 0.00 H new ATOM 0 HB3 TYR A 38 2.928 2.062 0.894 1.00 0.00 H new ATOM 0 HD1 TYR A 38 2.046 4.130 3.881 1.00 0.00 H new ATOM 0 HD2 TYR A 38 5.170 2.466 1.505 1.00 0.00 H new ATOM 0 HE1 TYR A 38 3.696 4.800 5.573 1.00 0.00 H new ATOM 0 HE2 TYR A 38 6.817 3.139 3.196 1.00 0.00 H new ATOM 0 HH TYR A 38 7.172 4.109 5.146 1.00 0.00 H new ATOM 529 N LEU A 39 2.424 3.338 -1.649 1.00 0.00 N ATOM 530 CA LEU A 39 2.086 2.818 -2.957 1.00 0.00 C ATOM 531 C LEU A 39 2.280 1.308 -3.005 1.00 0.00 C ATOM 532 O LEU A 39 3.273 0.784 -2.501 1.00 0.00 O ATOM 533 CB LEU A 39 2.926 3.486 -4.042 1.00 0.00 C ATOM 534 CG LEU A 39 2.150 3.859 -5.302 1.00 0.00 C ATOM 535 CD1 LEU A 39 3.094 4.121 -6.463 1.00 0.00 C ATOM 536 CD2 LEU A 39 1.147 2.778 -5.643 1.00 0.00 C ATOM 0 H LEU A 39 3.394 3.637 -1.546 1.00 0.00 H new ATOM 0 HA LEU A 39 1.036 3.042 -3.143 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.380 4.387 -3.630 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.741 2.816 -4.317 1.00 0.00 H new ATOM 0 HG LEU A 39 1.602 4.781 -5.110 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.517 4.385 -7.349 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.764 4.942 -6.209 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.680 3.224 -6.665 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.602 3.059 -6.544 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.670 1.837 -5.814 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.446 2.658 -4.817 1.00 0.00 H new ATOM 548 N LEU A 40 1.324 0.614 -3.616 1.00 0.00 N ATOM 549 CA LEU A 40 1.388 -0.834 -3.732 1.00 0.00 C ATOM 550 C LEU A 40 1.172 -1.291 -5.169 1.00 0.00 C ATOM 551 O LEU A 40 0.254 -0.830 -5.847 1.00 0.00 O ATOM 552 CB LEU A 40 0.330 -1.493 -2.852 1.00 0.00 C ATOM 553 CG LEU A 40 0.388 -1.166 -1.362 1.00 0.00 C ATOM 554 CD1 LEU A 40 1.817 -1.189 -0.840 1.00 0.00 C ATOM 555 CD2 LEU A 40 -0.290 0.158 -1.056 1.00 0.00 C ATOM 0 H LEU A 40 0.496 1.034 -4.038 1.00 0.00 H new ATOM 0 HA LEU A 40 2.384 -1.133 -3.407 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.653 -1.207 -3.227 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.413 -2.574 -2.968 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.164 -1.946 -0.838 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.820 -0.952 0.224 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.244 -2.180 -0.992 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.413 -0.451 -1.378 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.230 0.359 0.014 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.209 0.957 -1.604 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.336 0.109 -1.358 1.00 0.00 H new ATOM 567 N LYS A 41 2.006 -2.223 -5.613 1.00 0.00 N ATOM 568 CA LYS A 41 1.890 -2.774 -6.954 1.00 0.00 C ATOM 569 C LYS A 41 0.891 -3.930 -6.929 1.00 0.00 C ATOM 570 O LYS A 41 1.261 -5.089 -7.120 1.00 0.00 O ATOM 571 CB LYS A 41 3.258 -3.252 -7.457 1.00 0.00 C ATOM 572 CG LYS A 41 3.394 -3.276 -8.976 1.00 0.00 C ATOM 573 CD LYS A 41 2.452 -4.280 -9.622 1.00 0.00 C ATOM 574 CE LYS A 41 2.607 -4.299 -11.134 1.00 0.00 C ATOM 575 NZ LYS A 41 3.991 -4.661 -11.549 1.00 0.00 N ATOM 0 H LYS A 41 2.771 -2.613 -5.062 1.00 0.00 H new ATOM 0 HA LYS A 41 1.534 -2.003 -7.637 1.00 0.00 H new ATOM 0 HB2 LYS A 41 4.031 -2.603 -7.045 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.444 -4.254 -7.071 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.190 -2.282 -9.373 1.00 0.00 H new ATOM 0 HG3 LYS A 41 4.422 -3.521 -9.243 1.00 0.00 H new ATOM 0 HD2 LYS A 41 2.650 -5.275 -9.223 1.00 0.00 H new ATOM 0 HD3 LYS A 41 1.422 -4.032 -9.364 1.00 0.00 H new ATOM 0 HE2 LYS A 41 1.902 -5.012 -11.562 1.00 0.00 H new ATOM 0 HE3 LYS A 41 2.353 -3.319 -11.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 3.997 -4.910 -12.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 4.624 -3.852 -11.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 4.320 -5.474 -10.990 1.00 0.00 H new ATOM 589 N TRP A 42 -0.372 -3.605 -6.652 1.00 0.00 N ATOM 590 CA TRP A 42 -1.428 -4.610 -6.563 1.00 0.00 C ATOM 591 C TRP A 42 -1.344 -5.601 -7.722 1.00 0.00 C ATOM 592 O TRP A 42 -1.205 -5.209 -8.881 1.00 0.00 O ATOM 593 CB TRP A 42 -2.805 -3.943 -6.542 1.00 0.00 C ATOM 594 CG TRP A 42 -2.912 -2.807 -5.564 1.00 0.00 C ATOM 595 CD1 TRP A 42 -2.907 -1.473 -5.860 1.00 0.00 C ATOM 596 CD2 TRP A 42 -3.024 -2.899 -4.136 1.00 0.00 C ATOM 597 NE1 TRP A 42 -3.021 -0.731 -4.707 1.00 0.00 N ATOM 598 CE2 TRP A 42 -3.092 -1.582 -3.635 1.00 0.00 C ATOM 599 CE3 TRP A 42 -3.079 -3.964 -3.232 1.00 0.00 C ATOM 600 CZ2 TRP A 42 -3.211 -1.307 -2.271 1.00 0.00 C ATOM 601 CZ3 TRP A 42 -3.195 -3.689 -1.882 1.00 0.00 C ATOM 602 CH2 TRP A 42 -3.260 -2.370 -1.413 1.00 0.00 C ATOM 0 H TRP A 42 -0.688 -2.650 -6.485 1.00 0.00 H new ATOM 0 HA TRP A 42 -1.287 -5.159 -5.632 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -3.035 -3.573 -7.541 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -3.558 -4.692 -6.298 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -2.825 -1.061 -6.855 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -3.048 0.287 -4.658 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -3.032 -4.985 -3.582 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -3.262 -0.291 -1.907 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -3.236 -4.505 -1.176 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -3.351 -2.190 -0.352 1.00 0.00 H new ATOM 613 N LYS A 43 -1.414 -6.888 -7.392 1.00 0.00 N ATOM 614 CA LYS A 43 -1.332 -7.950 -8.391 1.00 0.00 C ATOM 615 C LYS A 43 -2.491 -7.894 -9.375 1.00 0.00 C ATOM 616 O LYS A 43 -3.619 -7.565 -9.008 1.00 0.00 O ATOM 617 CB LYS A 43 -1.292 -9.320 -7.708 1.00 0.00 C ATOM 618 CG LYS A 43 -2.514 -9.607 -6.849 1.00 0.00 C ATOM 619 CD LYS A 43 -2.442 -10.987 -6.211 1.00 0.00 C ATOM 620 CE LYS A 43 -2.495 -12.092 -7.255 1.00 0.00 C ATOM 621 NZ LYS A 43 -3.766 -12.063 -8.030 1.00 0.00 N ATOM 0 H LYS A 43 -1.528 -7.222 -6.435 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.411 -7.798 -8.953 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.204 -10.094 -8.470 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.399 -9.381 -7.086 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.597 -8.850 -6.070 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.414 -9.535 -7.460 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.521 -11.074 -5.635 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.268 -11.108 -5.511 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.651 -11.988 -7.937 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.391 -13.060 -6.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.880 -12.960 -8.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.567 -11.932 -7.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.740 -11.276 -8.710 1.00 0.00 H new ATOM 635 N GLY A 44 -2.196 -8.218 -10.632 1.00 0.00 N ATOM 636 CA GLY A 44 -3.210 -8.199 -11.667 1.00 0.00 C ATOM 637 C GLY A 44 -3.508 -6.796 -12.146 1.00 0.00 C ATOM 638 O GLY A 44 -3.686 -6.563 -13.342 1.00 0.00 O ATOM 0 H GLY A 44 -1.267 -8.494 -10.951 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -2.879 -8.806 -12.509 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -4.125 -8.653 -11.286 1.00 0.00 H new ATOM 642 N PHE A 45 -3.565 -5.858 -11.208 1.00 0.00 N ATOM 643 CA PHE A 45 -3.845 -4.468 -11.532 1.00 0.00 C ATOM 644 C PHE A 45 -2.639 -3.799 -12.184 1.00 0.00 C ATOM 645 O PHE A 45 -1.510 -3.926 -11.706 1.00 0.00 O ATOM 646 CB PHE A 45 -4.263 -3.697 -10.276 1.00 0.00 C ATOM 647 CG PHE A 45 -5.595 -4.121 -9.717 1.00 0.00 C ATOM 648 CD1 PHE A 45 -5.844 -5.448 -9.397 1.00 0.00 C ATOM 649 CD2 PHE A 45 -6.599 -3.188 -9.511 1.00 0.00 C ATOM 650 CE1 PHE A 45 -7.067 -5.834 -8.882 1.00 0.00 C ATOM 651 CE2 PHE A 45 -7.824 -3.569 -8.998 1.00 0.00 C ATOM 652 CZ PHE A 45 -8.059 -4.893 -8.683 1.00 0.00 C ATOM 0 H PHE A 45 -3.420 -6.038 -10.214 1.00 0.00 H new ATOM 0 HA PHE A 45 -4.669 -4.452 -12.246 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.499 -3.829 -9.509 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -4.300 -2.633 -10.510 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -5.073 -6.188 -9.552 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -6.422 -2.151 -9.754 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -7.247 -6.870 -8.635 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -8.598 -2.832 -8.843 1.00 0.00 H new ATOM 0 HZ PHE A 45 -9.016 -5.192 -8.282 1.00 0.00 H new ATOM 662 N SER A 46 -2.889 -3.085 -13.277 1.00 0.00 N ATOM 663 CA SER A 46 -1.834 -2.388 -14.004 1.00 0.00 C ATOM 664 C SER A 46 -1.159 -1.344 -13.119 1.00 0.00 C ATOM 665 O SER A 46 -1.672 -0.997 -12.055 1.00 0.00 O ATOM 666 CB SER A 46 -2.406 -1.719 -15.256 1.00 0.00 C ATOM 667 OG SER A 46 -1.397 -1.037 -15.980 1.00 0.00 O ATOM 0 H SER A 46 -3.819 -2.974 -13.681 1.00 0.00 H new ATOM 0 HA SER A 46 -1.086 -3.123 -14.301 1.00 0.00 H new ATOM 0 HB2 SER A 46 -2.869 -2.472 -15.894 1.00 0.00 H new ATOM 0 HB3 SER A 46 -3.190 -1.017 -14.971 1.00 0.00 H new ATOM 0 HG SER A 46 -1.790 -0.620 -16.775 1.00 0.00 H new ATOM 673 N ASP A 47 -0.005 -0.850 -13.563 1.00 0.00 N ATOM 674 CA ASP A 47 0.739 0.153 -12.808 1.00 0.00 C ATOM 675 C ASP A 47 -0.152 1.343 -12.462 1.00 0.00 C ATOM 676 O ASP A 47 -0.170 1.807 -11.323 1.00 0.00 O ATOM 677 CB ASP A 47 1.959 0.624 -13.601 1.00 0.00 C ATOM 678 CG ASP A 47 1.582 1.240 -14.934 1.00 0.00 C ATOM 679 OD1 ASP A 47 0.976 0.533 -15.765 1.00 0.00 O ATOM 680 OD2 ASP A 47 1.893 2.431 -15.145 1.00 0.00 O ATOM 0 H ASP A 47 0.434 -1.128 -14.441 1.00 0.00 H new ATOM 0 HA ASP A 47 1.078 -0.306 -11.880 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.512 1.354 -13.010 1.00 0.00 H new ATOM 0 HB3 ASP A 47 2.627 -0.221 -13.771 1.00 0.00 H new ATOM 685 N GLU A 48 -0.900 1.824 -13.449 1.00 0.00 N ATOM 686 CA GLU A 48 -1.802 2.946 -13.242 1.00 0.00 C ATOM 687 C GLU A 48 -2.920 2.559 -12.280 1.00 0.00 C ATOM 688 O GLU A 48 -3.347 3.362 -11.450 1.00 0.00 O ATOM 689 CB GLU A 48 -2.390 3.400 -14.577 1.00 0.00 C ATOM 690 CG GLU A 48 -1.347 3.903 -15.562 1.00 0.00 C ATOM 691 CD GLU A 48 -1.956 4.359 -16.873 1.00 0.00 C ATOM 692 OE1 GLU A 48 -2.792 5.287 -16.850 1.00 0.00 O ATOM 693 OE2 GLU A 48 -1.595 3.789 -17.925 1.00 0.00 O ATOM 0 H GLU A 48 -0.898 1.453 -14.399 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.238 3.771 -12.806 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.932 2.568 -15.027 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.116 4.192 -14.394 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.798 4.731 -15.113 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.625 3.110 -15.757 1.00 0.00 H new ATOM 700 N ASP A 49 -3.383 1.317 -12.400 1.00 0.00 N ATOM 701 CA ASP A 49 -4.447 0.802 -11.551 1.00 0.00 C ATOM 702 C ASP A 49 -4.089 0.922 -10.074 1.00 0.00 C ATOM 703 O ASP A 49 -4.967 1.116 -9.232 1.00 0.00 O ATOM 704 CB ASP A 49 -4.733 -0.658 -11.897 1.00 0.00 C ATOM 705 CG ASP A 49 -5.305 -0.824 -13.292 1.00 0.00 C ATOM 706 OD1 ASP A 49 -5.473 0.196 -13.993 1.00 0.00 O ATOM 707 OD2 ASP A 49 -5.587 -1.976 -13.685 1.00 0.00 O ATOM 0 H ASP A 49 -3.033 0.646 -13.084 1.00 0.00 H new ATOM 0 HA ASP A 49 -5.339 1.401 -11.733 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -3.812 -1.235 -11.815 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.433 -1.070 -11.170 1.00 0.00 H new ATOM 712 N ASN A 50 -2.798 0.801 -9.765 1.00 0.00 N ATOM 713 CA ASN A 50 -2.331 0.892 -8.384 1.00 0.00 C ATOM 714 C ASN A 50 -2.972 2.074 -7.670 1.00 0.00 C ATOM 715 O ASN A 50 -3.193 3.129 -8.264 1.00 0.00 O ATOM 716 CB ASN A 50 -0.807 1.017 -8.327 1.00 0.00 C ATOM 717 CG ASN A 50 -0.100 -0.216 -8.854 1.00 0.00 C ATOM 718 OD1 ASN A 50 -0.410 -1.340 -8.459 1.00 0.00 O ATOM 719 ND2 ASN A 50 0.872 -0.008 -9.733 1.00 0.00 N ATOM 0 H ASN A 50 -2.060 0.640 -10.451 1.00 0.00 H new ATOM 0 HA ASN A 50 -2.626 -0.027 -7.877 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -0.496 1.886 -8.907 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -0.499 1.195 -7.297 1.00 0.00 H new ATOM 0 HD21 ASN A 50 1.397 -0.798 -10.110 1.00 0.00 H new ATOM 0 HD22 ASN A 50 1.095 0.941 -10.032 1.00 0.00 H new ATOM 726 N THR A 51 -3.270 1.886 -6.390 1.00 0.00 N ATOM 727 CA THR A 51 -3.889 2.930 -5.588 1.00 0.00 C ATOM 728 C THR A 51 -3.224 3.029 -4.223 1.00 0.00 C ATOM 729 O THR A 51 -3.000 2.022 -3.551 1.00 0.00 O ATOM 730 CB THR A 51 -5.398 2.682 -5.400 1.00 0.00 C ATOM 731 OG1 THR A 51 -5.961 3.693 -4.555 1.00 0.00 O ATOM 732 CG2 THR A 51 -5.655 1.308 -4.795 1.00 0.00 C ATOM 0 H THR A 51 -3.092 1.017 -5.886 1.00 0.00 H new ATOM 0 HA THR A 51 -3.754 3.868 -6.127 1.00 0.00 H new ATOM 0 HB THR A 51 -5.872 2.722 -6.381 1.00 0.00 H new ATOM 0 HG1 THR A 51 -6.920 3.528 -4.443 1.00 0.00 H new ATOM 0 HG21 THR A 51 -6.728 1.159 -4.673 1.00 0.00 H new ATOM 0 HG22 THR A 51 -5.255 0.539 -5.456 1.00 0.00 H new ATOM 0 HG23 THR A 51 -5.167 1.241 -3.823 1.00 0.00 H new ATOM 740 N TRP A 52 -2.902 4.251 -3.825 1.00 0.00 N ATOM 741 CA TRP A 52 -2.256 4.493 -2.550 1.00 0.00 C ATOM 742 C TRP A 52 -3.229 4.243 -1.410 1.00 0.00 C ATOM 743 O TRP A 52 -4.362 4.723 -1.429 1.00 0.00 O ATOM 744 CB TRP A 52 -1.717 5.921 -2.498 1.00 0.00 C ATOM 745 CG TRP A 52 -0.900 6.278 -3.703 1.00 0.00 C ATOM 746 CD1 TRP A 52 -1.302 6.268 -5.011 1.00 0.00 C ATOM 747 CD2 TRP A 52 0.470 6.669 -3.713 1.00 0.00 C ATOM 748 NE1 TRP A 52 -0.266 6.637 -5.826 1.00 0.00 N ATOM 749 CE2 TRP A 52 0.833 6.889 -5.055 1.00 0.00 C ATOM 750 CE3 TRP A 52 1.425 6.856 -2.715 1.00 0.00 C ATOM 751 CZ2 TRP A 52 2.112 7.285 -5.422 1.00 0.00 C ATOM 752 CZ3 TRP A 52 2.694 7.247 -3.083 1.00 0.00 C ATOM 753 CH2 TRP A 52 3.027 7.459 -4.425 1.00 0.00 C ATOM 0 H TRP A 52 -3.080 5.093 -4.373 1.00 0.00 H new ATOM 0 HA TRP A 52 -1.419 3.804 -2.441 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -2.552 6.617 -2.412 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -1.107 6.042 -1.603 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -2.293 6.007 -5.351 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -0.308 6.712 -6.842 1.00 0.00 H new ATOM 0 HE3 TRP A 52 1.176 6.698 -1.676 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 2.373 7.449 -6.457 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 3.446 7.392 -2.321 1.00 0.00 H new ATOM 0 HH2 TRP A 52 4.031 7.767 -4.678 1.00 0.00 H new ATOM 764 N GLU A 53 -2.785 3.476 -0.426 1.00 0.00 N ATOM 765 CA GLU A 53 -3.622 3.145 0.714 1.00 0.00 C ATOM 766 C GLU A 53 -2.920 3.483 2.027 1.00 0.00 C ATOM 767 O GLU A 53 -1.730 3.208 2.189 1.00 0.00 O ATOM 768 CB GLU A 53 -3.982 1.661 0.677 1.00 0.00 C ATOM 769 CG GLU A 53 -4.868 1.226 1.827 1.00 0.00 C ATOM 770 CD GLU A 53 -5.253 -0.233 1.755 1.00 0.00 C ATOM 771 OE1 GLU A 53 -5.811 -0.649 0.719 1.00 0.00 O ATOM 772 OE2 GLU A 53 -5.004 -0.959 2.739 1.00 0.00 O ATOM 0 H GLU A 53 -1.849 3.072 -0.395 1.00 0.00 H new ATOM 0 HA GLU A 53 -4.534 3.740 0.656 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.487 1.441 -0.264 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.065 1.072 0.692 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.351 1.414 2.768 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.772 1.835 1.833 1.00 0.00 H new ATOM 779 N PRO A 54 -3.649 4.082 2.988 1.00 0.00 N ATOM 780 CA PRO A 54 -3.087 4.449 4.289 1.00 0.00 C ATOM 781 C PRO A 54 -2.434 3.262 4.982 1.00 0.00 C ATOM 782 O PRO A 54 -2.968 2.153 4.972 1.00 0.00 O ATOM 783 CB PRO A 54 -4.298 4.943 5.093 1.00 0.00 C ATOM 784 CG PRO A 54 -5.495 4.485 4.329 1.00 0.00 C ATOM 785 CD PRO A 54 -5.070 4.443 2.891 1.00 0.00 C ATOM 0 HA PRO A 54 -2.301 5.198 4.193 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -4.294 4.530 6.102 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -4.287 6.028 5.192 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -5.823 3.503 4.669 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -6.333 5.167 4.469 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -5.637 3.707 2.322 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -5.211 5.405 2.398 1.00 0.00 H new ATOM 793 N GLU A 55 -1.271 3.507 5.574 1.00 0.00 N ATOM 794 CA GLU A 55 -0.517 2.470 6.267 1.00 0.00 C ATOM 795 C GLU A 55 -1.391 1.718 7.270 1.00 0.00 C ATOM 796 O GLU A 55 -1.204 0.521 7.488 1.00 0.00 O ATOM 797 CB GLU A 55 0.700 3.098 6.965 1.00 0.00 C ATOM 798 CG GLU A 55 1.603 2.101 7.681 1.00 0.00 C ATOM 799 CD GLU A 55 1.010 1.584 8.978 1.00 0.00 C ATOM 800 OE1 GLU A 55 0.721 2.409 9.870 1.00 0.00 O ATOM 801 OE2 GLU A 55 0.840 0.353 9.104 1.00 0.00 O ATOM 0 H GLU A 55 -0.826 4.425 5.587 1.00 0.00 H new ATOM 0 HA GLU A 55 -0.172 1.743 5.532 1.00 0.00 H new ATOM 0 HB2 GLU A 55 1.290 3.636 6.223 1.00 0.00 H new ATOM 0 HB3 GLU A 55 0.348 3.834 7.688 1.00 0.00 H new ATOM 0 HG2 GLU A 55 1.801 1.259 7.018 1.00 0.00 H new ATOM 0 HG3 GLU A 55 2.562 2.574 7.891 1.00 0.00 H new ATOM 808 N GLU A 56 -2.338 2.425 7.882 1.00 0.00 N ATOM 809 CA GLU A 56 -3.232 1.818 8.867 1.00 0.00 C ATOM 810 C GLU A 56 -3.852 0.525 8.339 1.00 0.00 C ATOM 811 O GLU A 56 -3.784 -0.517 8.993 1.00 0.00 O ATOM 812 CB GLU A 56 -4.337 2.801 9.253 1.00 0.00 C ATOM 813 CG GLU A 56 -3.817 4.101 9.847 1.00 0.00 C ATOM 814 CD GLU A 56 -4.929 5.065 10.212 1.00 0.00 C ATOM 815 OE1 GLU A 56 -6.112 4.716 10.003 1.00 0.00 O ATOM 816 OE2 GLU A 56 -4.619 6.170 10.706 1.00 0.00 O ATOM 0 H GLU A 56 -2.507 3.417 7.714 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.638 1.574 9.748 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.934 3.028 8.370 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.002 2.323 9.973 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.228 3.879 10.737 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.147 4.580 9.133 1.00 0.00 H new ATOM 823 N ASN A 57 -4.456 0.597 7.157 1.00 0.00 N ATOM 824 CA ASN A 57 -5.088 -0.572 6.548 1.00 0.00 C ATOM 825 C ASN A 57 -4.047 -1.531 5.980 1.00 0.00 C ATOM 826 O ASN A 57 -4.251 -2.744 5.966 1.00 0.00 O ATOM 827 CB ASN A 57 -6.053 -0.148 5.439 1.00 0.00 C ATOM 828 CG ASN A 57 -7.162 0.750 5.949 1.00 0.00 C ATOM 829 OD1 ASN A 57 -7.934 0.365 6.827 1.00 0.00 O ATOM 830 ND2 ASN A 57 -7.250 1.954 5.396 1.00 0.00 N ATOM 0 H ASN A 57 -4.522 1.450 6.601 1.00 0.00 H new ATOM 0 HA ASN A 57 -5.645 -1.087 7.331 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -5.498 0.372 4.658 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -6.490 -1.036 4.982 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -7.979 2.601 5.696 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -6.589 2.232 4.671 1.00 0.00 H new ATOM 837 N LEU A 58 -2.941 -0.973 5.494 1.00 0.00 N ATOM 838 CA LEU A 58 -1.871 -1.770 4.902 1.00 0.00 C ATOM 839 C LEU A 58 -1.454 -2.921 5.805 1.00 0.00 C ATOM 840 O LEU A 58 -1.650 -2.883 7.020 1.00 0.00 O ATOM 841 CB LEU A 58 -0.654 -0.899 4.588 1.00 0.00 C ATOM 842 CG LEU A 58 -0.932 0.306 3.691 1.00 0.00 C ATOM 843 CD1 LEU A 58 0.367 0.937 3.232 1.00 0.00 C ATOM 844 CD2 LEU A 58 -1.774 -0.090 2.493 1.00 0.00 C ATOM 0 H LEU A 58 -2.763 0.031 5.499 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.264 -2.189 3.976 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.230 -0.543 5.527 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.104 -1.520 4.111 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.491 1.037 4.275 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.150 1.794 2.594 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.938 1.266 4.100 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.949 0.205 2.671 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.957 0.786 1.871 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.245 -0.844 1.910 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.725 -0.497 2.836 1.00 0.00 H new ATOM 856 N ASP A 59 -0.876 -3.944 5.189 1.00 0.00 N ATOM 857 CA ASP A 59 -0.422 -5.123 5.911 1.00 0.00 C ATOM 858 C ASP A 59 0.880 -5.650 5.313 1.00 0.00 C ATOM 859 O ASP A 59 1.036 -6.853 5.104 1.00 0.00 O ATOM 860 CB ASP A 59 -1.496 -6.208 5.867 1.00 0.00 C ATOM 861 CG ASP A 59 -2.752 -5.815 6.621 1.00 0.00 C ATOM 862 OD1 ASP A 59 -2.658 -5.566 7.840 1.00 0.00 O ATOM 863 OD2 ASP A 59 -3.828 -5.756 5.990 1.00 0.00 O ATOM 0 H ASP A 59 -0.710 -3.979 4.183 1.00 0.00 H new ATOM 0 HA ASP A 59 -0.238 -4.845 6.949 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -1.751 -6.420 4.829 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -1.095 -7.129 6.291 1.00 0.00 H new ATOM 868 N CYS A 60 1.811 -4.739 5.042 1.00 0.00 N ATOM 869 CA CYS A 60 3.102 -5.107 4.468 1.00 0.00 C ATOM 870 C CYS A 60 4.254 -4.439 5.219 1.00 0.00 C ATOM 871 O CYS A 60 5.081 -3.761 4.612 1.00 0.00 O ATOM 872 CB CYS A 60 3.163 -4.713 2.989 1.00 0.00 C ATOM 873 SG CYS A 60 1.976 -5.577 1.937 1.00 0.00 S ATOM 0 H CYS A 60 1.695 -3.740 5.211 1.00 0.00 H new ATOM 0 HA CYS A 60 3.206 -6.188 4.561 1.00 0.00 H new ATOM 0 HB2 CYS A 60 2.992 -3.640 2.904 1.00 0.00 H new ATOM 0 HB3 CYS A 60 4.169 -4.906 2.615 1.00 0.00 H new ATOM 0 HG CYS A 60 0.768 -5.317 2.341 1.00 0.00 H new ATOM 879 N PRO A 61 4.335 -4.623 6.552 1.00 0.00 N ATOM 880 CA PRO A 61 5.406 -4.030 7.360 1.00 0.00 C ATOM 881 C PRO A 61 6.786 -4.470 6.886 1.00 0.00 C ATOM 882 O PRO A 61 7.729 -3.680 6.868 1.00 0.00 O ATOM 883 CB PRO A 61 5.131 -4.549 8.778 1.00 0.00 C ATOM 884 CG PRO A 61 4.225 -5.719 8.597 1.00 0.00 C ATOM 885 CD PRO A 61 3.412 -5.424 7.372 1.00 0.00 C ATOM 0 HA PRO A 61 5.410 -2.942 7.295 1.00 0.00 H new ATOM 0 HB2 PRO A 61 6.055 -4.840 9.277 1.00 0.00 H new ATOM 0 HB3 PRO A 61 4.664 -3.781 9.395 1.00 0.00 H new ATOM 0 HG2 PRO A 61 4.796 -6.640 8.475 1.00 0.00 H new ATOM 0 HG3 PRO A 61 3.584 -5.855 9.468 1.00 0.00 H new ATOM 0 HD2 PRO A 61 3.105 -6.337 6.861 1.00 0.00 H new ATOM 0 HD3 PRO A 61 2.503 -4.873 7.613 1.00 0.00 H new ATOM 893 N ASP A 62 6.893 -5.737 6.500 1.00 0.00 N ATOM 894 CA ASP A 62 8.155 -6.290 6.023 1.00 0.00 C ATOM 895 C ASP A 62 8.606 -5.596 4.740 1.00 0.00 C ATOM 896 O ASP A 62 9.761 -5.189 4.619 1.00 0.00 O ATOM 897 CB ASP A 62 8.012 -7.795 5.784 1.00 0.00 C ATOM 898 CG ASP A 62 9.318 -8.456 5.384 1.00 0.00 C ATOM 899 OD1 ASP A 62 10.350 -7.753 5.326 1.00 0.00 O ATOM 900 OD2 ASP A 62 9.310 -9.679 5.133 1.00 0.00 O ATOM 0 H ASP A 62 6.119 -6.401 6.508 1.00 0.00 H new ATOM 0 HA ASP A 62 8.913 -6.119 6.788 1.00 0.00 H new ATOM 0 HB2 ASP A 62 7.634 -8.267 6.691 1.00 0.00 H new ATOM 0 HB3 ASP A 62 7.271 -7.965 5.003 1.00 0.00 H new ATOM 905 N LEU A 63 7.689 -5.464 3.783 1.00 0.00 N ATOM 906 CA LEU A 63 8.005 -4.818 2.511 1.00 0.00 C ATOM 907 C LEU A 63 8.354 -3.352 2.715 1.00 0.00 C ATOM 908 O LEU A 63 9.330 -2.857 2.153 1.00 0.00 O ATOM 909 CB LEU A 63 6.837 -4.934 1.531 1.00 0.00 C ATOM 910 CG LEU A 63 6.428 -6.358 1.152 1.00 0.00 C ATOM 911 CD1 LEU A 63 5.404 -6.323 0.032 1.00 0.00 C ATOM 912 CD2 LEU A 63 7.639 -7.183 0.740 1.00 0.00 C ATOM 0 H LEU A 63 6.727 -5.794 3.863 1.00 0.00 H new ATOM 0 HA LEU A 63 8.870 -5.332 2.092 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.972 -4.430 1.964 1.00 0.00 H new ATOM 0 HB3 LEU A 63 7.097 -4.396 0.620 1.00 0.00 H new ATOM 0 HG LEU A 63 5.982 -6.832 2.026 1.00 0.00 H new ATOM 0 HD11 LEU A 63 5.118 -7.341 -0.232 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.523 -5.773 0.362 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.835 -5.830 -0.839 1.00 0.00 H new ATOM 0 HD21 LEU A 63 7.320 -8.191 0.476 1.00 0.00 H new ATOM 0 HD22 LEU A 63 8.121 -6.718 -0.120 1.00 0.00 H new ATOM 0 HD23 LEU A 63 8.345 -7.232 1.569 1.00 0.00 H new ATOM 924 N ILE A 64 7.554 -2.660 3.522 1.00 0.00 N ATOM 925 CA ILE A 64 7.790 -1.250 3.798 1.00 0.00 C ATOM 926 C ILE A 64 9.220 -1.041 4.280 1.00 0.00 C ATOM 927 O ILE A 64 9.877 -0.066 3.908 1.00 0.00 O ATOM 928 CB ILE A 64 6.798 -0.703 4.846 1.00 0.00 C ATOM 929 CG1 ILE A 64 5.366 -0.801 4.312 1.00 0.00 C ATOM 930 CG2 ILE A 64 7.140 0.737 5.204 1.00 0.00 C ATOM 931 CD1 ILE A 64 4.305 -0.393 5.315 1.00 0.00 C ATOM 0 H ILE A 64 6.740 -3.053 3.994 1.00 0.00 H new ATOM 0 HA ILE A 64 7.636 -0.701 2.869 1.00 0.00 H new ATOM 0 HB ILE A 64 6.875 -1.305 5.751 1.00 0.00 H new ATOM 0 HG12 ILE A 64 5.275 -0.172 3.427 1.00 0.00 H new ATOM 0 HG13 ILE A 64 5.177 -1.827 3.995 1.00 0.00 H new ATOM 0 HG21 ILE A 64 6.430 1.106 5.944 1.00 0.00 H new ATOM 0 HG22 ILE A 64 8.148 0.780 5.615 1.00 0.00 H new ATOM 0 HG23 ILE A 64 7.087 1.357 4.309 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.319 -0.490 4.861 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.366 -1.038 6.192 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.466 0.643 5.614 1.00 0.00 H new ATOM 943 N ALA A 65 9.703 -1.976 5.090 1.00 0.00 N ATOM 944 CA ALA A 65 11.063 -1.912 5.603 1.00 0.00 C ATOM 945 C ALA A 65 12.065 -2.057 4.463 1.00 0.00 C ATOM 946 O ALA A 65 13.032 -1.302 4.372 1.00 0.00 O ATOM 947 CB ALA A 65 11.286 -2.996 6.648 1.00 0.00 C ATOM 0 H ALA A 65 9.171 -2.787 5.405 1.00 0.00 H new ATOM 0 HA ALA A 65 11.212 -0.941 6.075 1.00 0.00 H new ATOM 0 HB1 ALA A 65 12.308 -2.936 7.023 1.00 0.00 H new ATOM 0 HB2 ALA A 65 10.588 -2.855 7.473 1.00 0.00 H new ATOM 0 HB3 ALA A 65 11.122 -3.975 6.198 1.00 0.00 H new ATOM 953 N GLU A 66 11.815 -3.031 3.590 1.00 0.00 N ATOM 954 CA GLU A 66 12.681 -3.282 2.442 1.00 0.00 C ATOM 955 C GLU A 66 12.761 -2.051 1.544 1.00 0.00 C ATOM 956 O GLU A 66 13.822 -1.720 1.014 1.00 0.00 O ATOM 957 CB GLU A 66 12.162 -4.476 1.636 1.00 0.00 C ATOM 958 CG GLU A 66 13.046 -4.836 0.453 1.00 0.00 C ATOM 959 CD GLU A 66 12.515 -6.017 -0.336 1.00 0.00 C ATOM 960 OE1 GLU A 66 12.377 -7.110 0.252 1.00 0.00 O ATOM 961 OE2 GLU A 66 12.241 -5.850 -1.542 1.00 0.00 O ATOM 0 H GLU A 66 11.016 -3.661 3.657 1.00 0.00 H new ATOM 0 HA GLU A 66 13.680 -3.508 2.815 1.00 0.00 H new ATOM 0 HB2 GLU A 66 12.079 -5.341 2.294 1.00 0.00 H new ATOM 0 HB3 GLU A 66 11.158 -4.252 1.275 1.00 0.00 H new ATOM 0 HG2 GLU A 66 13.132 -3.973 -0.207 1.00 0.00 H new ATOM 0 HG3 GLU A 66 14.050 -5.065 0.811 1.00 0.00 H new ATOM 968 N PHE A 67 11.626 -1.383 1.382 1.00 0.00 N ATOM 969 CA PHE A 67 11.539 -0.187 0.553 1.00 0.00 C ATOM 970 C PHE A 67 12.497 0.896 1.044 1.00 0.00 C ATOM 971 O PHE A 67 13.217 1.507 0.254 1.00 0.00 O ATOM 972 CB PHE A 67 10.099 0.335 0.565 1.00 0.00 C ATOM 973 CG PHE A 67 9.932 1.706 -0.028 1.00 0.00 C ATOM 974 CD1 PHE A 67 10.257 1.959 -1.351 1.00 0.00 C ATOM 975 CD2 PHE A 67 9.449 2.744 0.751 1.00 0.00 C ATOM 976 CE1 PHE A 67 10.102 3.225 -1.885 1.00 0.00 C ATOM 977 CE2 PHE A 67 9.292 4.009 0.225 1.00 0.00 C ATOM 978 CZ PHE A 67 9.618 4.252 -1.095 1.00 0.00 C ATOM 0 H PHE A 67 10.744 -1.653 1.819 1.00 0.00 H new ATOM 0 HA PHE A 67 11.826 -0.447 -0.466 1.00 0.00 H new ATOM 0 HB2 PHE A 67 9.467 -0.364 0.017 1.00 0.00 H new ATOM 0 HB3 PHE A 67 9.739 0.351 1.594 1.00 0.00 H new ATOM 0 HD1 PHE A 67 10.635 1.160 -1.971 1.00 0.00 H new ATOM 0 HD2 PHE A 67 9.192 2.560 1.784 1.00 0.00 H new ATOM 0 HE1 PHE A 67 10.358 3.412 -2.917 1.00 0.00 H new ATOM 0 HE2 PHE A 67 8.914 4.809 0.845 1.00 0.00 H new ATOM 0 HZ PHE A 67 9.495 5.242 -1.509 1.00 0.00 H new ATOM 988 N LEU A 68 12.492 1.134 2.351 1.00 0.00 N ATOM 989 CA LEU A 68 13.348 2.150 2.951 1.00 0.00 C ATOM 990 C LEU A 68 14.822 1.749 2.901 1.00 0.00 C ATOM 991 O LEU A 68 15.691 2.589 2.673 1.00 0.00 O ATOM 992 CB LEU A 68 12.915 2.401 4.393 1.00 0.00 C ATOM 993 CG LEU A 68 11.430 2.727 4.565 1.00 0.00 C ATOM 994 CD1 LEU A 68 11.092 2.934 6.029 1.00 0.00 C ATOM 995 CD2 LEU A 68 11.052 3.955 3.751 1.00 0.00 C ATOM 0 H LEU A 68 11.902 0.635 3.017 1.00 0.00 H new ATOM 0 HA LEU A 68 13.240 3.068 2.373 1.00 0.00 H new ATOM 0 HB2 LEU A 68 13.151 1.519 4.988 1.00 0.00 H new ATOM 0 HB3 LEU A 68 13.503 3.225 4.797 1.00 0.00 H new ATOM 0 HG LEU A 68 10.851 1.880 4.197 1.00 0.00 H new ATOM 0 HD11 LEU A 68 10.031 3.165 6.128 1.00 0.00 H new ATOM 0 HD12 LEU A 68 11.320 2.026 6.587 1.00 0.00 H new ATOM 0 HD13 LEU A 68 11.682 3.761 6.425 1.00 0.00 H new ATOM 0 HD21 LEU A 68 9.992 4.170 3.887 1.00 0.00 H new ATOM 0 HD22 LEU A 68 11.641 4.809 4.086 1.00 0.00 H new ATOM 0 HD23 LEU A 68 11.252 3.768 2.696 1.00 0.00 H new ATOM 1007 N GLN A 69 15.097 0.465 3.120 1.00 0.00 N ATOM 1008 CA GLN A 69 16.469 -0.041 3.105 1.00 0.00 C ATOM 1009 C GLN A 69 17.194 0.358 1.824 1.00 0.00 C ATOM 1010 O GLN A 69 18.381 0.686 1.851 1.00 0.00 O ATOM 1011 CB GLN A 69 16.480 -1.563 3.253 1.00 0.00 C ATOM 1012 CG GLN A 69 15.964 -2.051 4.599 1.00 0.00 C ATOM 1013 CD GLN A 69 15.979 -3.565 4.732 1.00 0.00 C ATOM 1014 OE1 GLN A 69 15.582 -4.108 5.763 1.00 0.00 O ATOM 1015 NE2 GLN A 69 16.438 -4.258 3.694 1.00 0.00 N ATOM 0 H GLN A 69 14.389 -0.244 3.310 1.00 0.00 H new ATOM 0 HA GLN A 69 16.994 0.406 3.949 1.00 0.00 H new ATOM 0 HB2 GLN A 69 15.873 -2.001 2.461 1.00 0.00 H new ATOM 0 HB3 GLN A 69 17.498 -1.926 3.111 1.00 0.00 H new ATOM 0 HG2 GLN A 69 16.572 -1.617 5.393 1.00 0.00 H new ATOM 0 HG3 GLN A 69 14.946 -1.690 4.743 1.00 0.00 H new ATOM 0 HE21 GLN A 69 16.758 -3.771 2.857 1.00 0.00 H new ATOM 0 HE22 GLN A 69 16.470 -5.277 3.735 1.00 0.00 H new ATOM 1024 N SER A 70 16.477 0.326 0.706 1.00 0.00 N ATOM 1025 CA SER A 70 17.057 0.682 -0.584 1.00 0.00 C ATOM 1026 C SER A 70 17.644 2.090 -0.550 1.00 0.00 C ATOM 1027 O SER A 70 18.783 2.308 -0.964 1.00 0.00 O ATOM 1028 CB SER A 70 15.998 0.586 -1.685 1.00 0.00 C ATOM 1029 OG SER A 70 16.538 0.942 -2.946 1.00 0.00 O ATOM 0 H SER A 70 15.494 0.057 0.667 1.00 0.00 H new ATOM 0 HA SER A 70 17.862 -0.021 -0.798 1.00 0.00 H new ATOM 0 HB2 SER A 70 15.605 -0.430 -1.728 1.00 0.00 H new ATOM 0 HB3 SER A 70 15.161 1.242 -1.446 1.00 0.00 H new ATOM 0 HG SER A 70 15.842 0.871 -3.632 1.00 0.00 H new ATOM 1035 N GLN A 71 16.860 3.041 -0.053 1.00 0.00 N ATOM 1036 CA GLN A 71 17.302 4.428 0.035 1.00 0.00 C ATOM 1037 C GLN A 71 18.378 4.597 1.101 1.00 0.00 C ATOM 1038 O GLN A 71 19.487 5.046 0.810 1.00 0.00 O ATOM 1039 CB GLN A 71 16.114 5.342 0.340 1.00 0.00 C ATOM 1040 CG GLN A 71 15.051 5.327 -0.743 1.00 0.00 C ATOM 1041 CD GLN A 71 13.860 6.198 -0.403 1.00 0.00 C ATOM 1042 OE1 GLN A 71 13.996 7.404 -0.196 1.00 0.00 O ATOM 1043 NE2 GLN A 71 12.682 5.589 -0.343 1.00 0.00 N ATOM 0 H GLN A 71 15.915 2.877 0.295 1.00 0.00 H new ATOM 0 HA GLN A 71 17.731 4.707 -0.928 1.00 0.00 H new ATOM 0 HB2 GLN A 71 15.664 5.038 1.285 1.00 0.00 H new ATOM 0 HB3 GLN A 71 16.474 6.362 0.472 1.00 0.00 H new ATOM 0 HG2 GLN A 71 15.489 5.667 -1.681 1.00 0.00 H new ATOM 0 HG3 GLN A 71 14.714 4.303 -0.902 1.00 0.00 H new ATOM 0 HE21 GLN A 71 12.616 4.587 -0.522 1.00 0.00 H new ATOM 0 HE22 GLN A 71 11.843 6.123 -0.118 1.00 0.00 H new ATOM 1052 N LYS A 72 18.043 4.235 2.335 1.00 0.00 N ATOM 1053 CA LYS A 72 18.977 4.348 3.450 1.00 0.00 C ATOM 1054 C LYS A 72 19.554 5.766 3.508 1.00 0.00 C ATOM 1055 O LYS A 72 18.809 6.732 3.669 1.00 0.00 O ATOM 1056 CB LYS A 72 20.092 3.300 3.322 1.00 0.00 C ATOM 1057 CG LYS A 72 21.005 3.187 4.543 1.00 0.00 C ATOM 1058 CD LYS A 72 20.318 2.511 5.726 1.00 0.00 C ATOM 1059 CE LYS A 72 19.365 3.449 6.452 1.00 0.00 C ATOM 1060 NZ LYS A 72 18.693 2.780 7.600 1.00 0.00 N ATOM 0 H LYS A 72 17.129 3.860 2.589 1.00 0.00 H new ATOM 0 HA LYS A 72 18.445 4.157 4.382 1.00 0.00 H new ATOM 0 HB2 LYS A 72 19.638 2.327 3.133 1.00 0.00 H new ATOM 0 HB3 LYS A 72 20.701 3.542 2.451 1.00 0.00 H new ATOM 0 HG2 LYS A 72 21.898 2.622 4.274 1.00 0.00 H new ATOM 0 HG3 LYS A 72 21.335 4.183 4.839 1.00 0.00 H new ATOM 0 HD2 LYS A 72 19.768 1.638 5.374 1.00 0.00 H new ATOM 0 HD3 LYS A 72 21.073 2.151 6.425 1.00 0.00 H new ATOM 0 HE2 LYS A 72 19.915 4.319 6.810 1.00 0.00 H new ATOM 0 HE3 LYS A 72 18.612 3.814 5.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 18.053 3.453 8.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 18.147 1.965 7.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 19.409 2.454 8.280 1.00 0.00 H new ATOM 1074 N THR A 73 20.872 5.892 3.364 1.00 0.00 N ATOM 1075 CA THR A 73 21.516 7.198 3.388 1.00 0.00 C ATOM 1076 C THR A 73 20.988 8.070 2.253 1.00 0.00 C ATOM 1077 O THR A 73 20.789 9.274 2.419 1.00 0.00 O ATOM 1078 CB THR A 73 23.046 7.075 3.264 1.00 0.00 C ATOM 1079 OG1 THR A 73 23.557 6.246 4.314 1.00 0.00 O ATOM 1080 CG2 THR A 73 23.708 8.444 3.329 1.00 0.00 C ATOM 0 H THR A 73 21.510 5.108 3.230 1.00 0.00 H new ATOM 0 HA THR A 73 21.282 7.660 4.347 1.00 0.00 H new ATOM 0 HB THR A 73 23.274 6.623 2.298 1.00 0.00 H new ATOM 0 HG1 THR A 73 24.530 6.171 4.227 1.00 0.00 H new ATOM 0 HG21 THR A 73 24.788 8.330 3.239 1.00 0.00 H new ATOM 0 HG22 THR A 73 23.339 9.065 2.513 1.00 0.00 H new ATOM 0 HG23 THR A 73 23.471 8.918 4.282 1.00 0.00 H new ATOM 1088 N ALA A 74 20.762 7.445 1.100 1.00 0.00 N ATOM 1089 CA ALA A 74 20.253 8.150 -0.072 1.00 0.00 C ATOM 1090 C ALA A 74 19.874 7.170 -1.178 1.00 0.00 C ATOM 1091 O ALA A 74 18.810 7.288 -1.785 1.00 0.00 O ATOM 1092 CB ALA A 74 21.284 9.142 -0.582 1.00 0.00 C ATOM 0 H ALA A 74 20.924 6.449 0.953 1.00 0.00 H new ATOM 0 HA ALA A 74 19.356 8.694 0.225 1.00 0.00 H new ATOM 0 HB1 ALA A 74 20.889 9.660 -1.456 1.00 0.00 H new ATOM 0 HB2 ALA A 74 21.508 9.868 0.199 1.00 0.00 H new ATOM 0 HB3 ALA A 74 22.196 8.611 -0.856 1.00 0.00 H new ATOM 1098 N HIS A 75 20.753 6.202 -1.431 1.00 0.00 N ATOM 1099 CA HIS A 75 20.511 5.199 -2.464 1.00 0.00 C ATOM 1100 C HIS A 75 21.578 4.108 -2.402 1.00 0.00 C ATOM 1101 O HIS A 75 22.153 3.722 -3.421 1.00 0.00 O ATOM 1102 CB HIS A 75 20.505 5.857 -3.848 1.00 0.00 C ATOM 1103 CG HIS A 75 19.817 5.044 -4.903 1.00 0.00 C ATOM 1104 ND1 HIS A 75 20.202 3.766 -5.252 1.00 0.00 N ATOM 1105 CD2 HIS A 75 18.755 5.340 -5.692 1.00 0.00 C ATOM 1106 CE1 HIS A 75 19.409 3.313 -6.206 1.00 0.00 C ATOM 1107 NE2 HIS A 75 18.524 4.249 -6.491 1.00 0.00 N ATOM 0 H HIS A 75 21.638 6.092 -0.935 1.00 0.00 H new ATOM 0 HA HIS A 75 19.536 4.744 -2.288 1.00 0.00 H new ATOM 0 HB2 HIS A 75 20.017 6.829 -3.776 1.00 0.00 H new ATOM 0 HB3 HIS A 75 21.534 6.040 -4.157 1.00 0.00 H new ATOM 0 HD1 HIS A 75 20.979 3.251 -4.837 1.00 0.00 H new ATOM 0 HD2 HIS A 75 18.195 6.263 -5.692 1.00 0.00 H new ATOM 0 HE1 HIS A 75 19.474 2.342 -6.673 1.00 0.00 H new ATOM 1116 N GLU A 76 21.840 3.618 -1.194 1.00 0.00 N ATOM 1117 CA GLU A 76 22.839 2.575 -0.988 1.00 0.00 C ATOM 1118 C GLU A 76 22.436 1.288 -1.699 1.00 0.00 C ATOM 1119 O GLU A 76 21.280 0.874 -1.635 1.00 0.00 O ATOM 1120 CB GLU A 76 23.026 2.308 0.507 1.00 0.00 C ATOM 1121 CG GLU A 76 24.072 1.247 0.815 1.00 0.00 C ATOM 1122 CD GLU A 76 24.211 0.977 2.301 1.00 0.00 C ATOM 1123 OE1 GLU A 76 23.487 1.618 3.092 1.00 0.00 O ATOM 1124 OE2 GLU A 76 25.043 0.124 2.674 1.00 0.00 O ATOM 0 H GLU A 76 21.373 3.927 -0.341 1.00 0.00 H new ATOM 0 HA GLU A 76 23.783 2.922 -1.410 1.00 0.00 H new ATOM 0 HB2 GLU A 76 23.309 3.238 1.000 1.00 0.00 H new ATOM 0 HB3 GLU A 76 22.072 1.999 0.934 1.00 0.00 H new ATOM 0 HG2 GLU A 76 23.806 0.321 0.305 1.00 0.00 H new ATOM 0 HG3 GLU A 76 25.035 1.565 0.416 1.00 0.00 H new ATOM 1131 N THR A 77 23.407 0.666 -2.371 1.00 0.00 N ATOM 1132 CA THR A 77 23.192 -0.583 -3.106 1.00 0.00 C ATOM 1133 C THR A 77 22.123 -0.435 -4.188 1.00 0.00 C ATOM 1134 O THR A 77 21.069 0.160 -3.965 1.00 0.00 O ATOM 1135 CB THR A 77 22.806 -1.750 -2.171 1.00 0.00 C ATOM 1136 OG1 THR A 77 21.513 -1.529 -1.599 1.00 0.00 O ATOM 1137 CG2 THR A 77 23.834 -1.913 -1.061 1.00 0.00 C ATOM 0 H THR A 77 24.365 1.014 -2.421 1.00 0.00 H new ATOM 0 HA THR A 77 24.146 -0.813 -3.580 1.00 0.00 H new ATOM 0 HB THR A 77 22.781 -2.663 -2.766 1.00 0.00 H new ATOM 0 HG1 THR A 77 21.123 -0.713 -1.977 1.00 0.00 H new ATOM 0 HG21 THR A 77 23.543 -2.740 -0.414 1.00 0.00 H new ATOM 0 HG22 THR A 77 24.811 -2.120 -1.498 1.00 0.00 H new ATOM 0 HG23 THR A 77 23.886 -0.995 -0.475 1.00 0.00 H new ATOM 1145 N ASP A 78 22.406 -0.987 -5.365 1.00 0.00 N ATOM 1146 CA ASP A 78 21.476 -0.924 -6.487 1.00 0.00 C ATOM 1147 C ASP A 78 21.964 -1.785 -7.645 1.00 0.00 C ATOM 1148 O ASP A 78 21.203 -2.574 -8.209 1.00 0.00 O ATOM 1149 CB ASP A 78 21.302 0.523 -6.952 1.00 0.00 C ATOM 1150 CG ASP A 78 20.347 0.645 -8.123 1.00 0.00 C ATOM 1151 OD1 ASP A 78 19.175 0.239 -7.978 1.00 0.00 O ATOM 1152 OD2 ASP A 78 20.771 1.147 -9.186 1.00 0.00 O ATOM 0 H ASP A 78 23.274 -1.484 -5.566 1.00 0.00 H new ATOM 0 HA ASP A 78 20.513 -1.309 -6.151 1.00 0.00 H new ATOM 0 HB2 ASP A 78 20.933 1.126 -6.122 1.00 0.00 H new ATOM 0 HB3 ASP A 78 22.273 0.930 -7.235 1.00 0.00 H new ATOM 1157 N LYS A 79 23.239 -1.633 -7.992 1.00 0.00 N ATOM 1158 CA LYS A 79 23.838 -2.397 -9.080 1.00 0.00 C ATOM 1159 C LYS A 79 25.340 -2.129 -9.169 1.00 0.00 C ATOM 1160 O LYS A 79 26.003 -1.949 -8.146 1.00 0.00 O ATOM 1161 CB LYS A 79 23.155 -2.051 -10.410 1.00 0.00 C ATOM 1162 CG LYS A 79 23.196 -0.569 -10.749 1.00 0.00 C ATOM 1163 CD LYS A 79 22.528 -0.267 -12.086 1.00 0.00 C ATOM 1164 CE LYS A 79 21.020 -0.486 -12.042 1.00 0.00 C ATOM 1165 NZ LYS A 79 20.660 -1.923 -11.892 1.00 0.00 N ATOM 0 H LYS A 79 23.879 -0.985 -7.533 1.00 0.00 H new ATOM 0 HA LYS A 79 23.692 -3.458 -8.875 1.00 0.00 H new ATOM 0 HB2 LYS A 79 23.635 -2.612 -11.212 1.00 0.00 H new ATOM 0 HB3 LYS A 79 22.116 -2.377 -10.371 1.00 0.00 H new ATOM 0 HG2 LYS A 79 22.700 -0.003 -9.960 1.00 0.00 H new ATOM 0 HG3 LYS A 79 24.232 -0.233 -10.778 1.00 0.00 H new ATOM 0 HD2 LYS A 79 22.735 0.765 -12.368 1.00 0.00 H new ATOM 0 HD3 LYS A 79 22.963 -0.902 -12.858 1.00 0.00 H new ATOM 0 HE2 LYS A 79 20.597 0.080 -11.212 1.00 0.00 H new ATOM 0 HE3 LYS A 79 20.572 -0.095 -12.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 19.798 -2.124 -12.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 21.439 -2.515 -12.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 20.491 -2.135 -10.888 1.00 0.00 H new ATOM 1179 N SER A 80 25.871 -2.106 -10.390 1.00 0.00 N ATOM 1180 CA SER A 80 27.294 -1.860 -10.607 1.00 0.00 C ATOM 1181 C SER A 80 28.144 -2.887 -9.862 1.00 0.00 C ATOM 1182 O SER A 80 29.325 -2.586 -9.583 1.00 0.00 O ATOM 1183 CB SER A 80 27.668 -0.444 -10.158 1.00 0.00 C ATOM 1184 OG SER A 80 26.940 0.531 -10.884 1.00 0.00 O ATOM 1185 OXT SER A 80 27.624 -3.982 -9.566 1.00 0.00 O ATOM 0 H SER A 80 25.335 -2.255 -11.245 1.00 0.00 H new ATOM 0 HA SER A 80 27.493 -1.956 -11.674 1.00 0.00 H new ATOM 0 HB2 SER A 80 27.468 -0.333 -9.092 1.00 0.00 H new ATOM 0 HB3 SER A 80 28.737 -0.285 -10.300 1.00 0.00 H new ATOM 0 HG SER A 80 27.196 1.426 -10.577 1.00 0.00 H new TER 1191 SER A 80 ATOM 1192 N ALA B 1 7.154 -18.029 1.304 1.00 0.00 N ATOM 1193 CA ALA B 1 8.224 -17.710 2.285 1.00 0.00 C ATOM 1194 C ALA B 1 8.044 -16.300 2.849 1.00 0.00 C ATOM 1195 O ALA B 1 6.925 -15.889 3.159 1.00 0.00 O ATOM 1196 CB ALA B 1 9.592 -17.860 1.632 1.00 0.00 C ATOM 0 H1 ALA B 1 7.297 -18.991 0.935 1.00 0.00 H new ATOM 0 H2 ALA B 1 6.227 -17.972 1.771 1.00 0.00 H new ATOM 0 H3 ALA B 1 7.189 -17.348 0.519 1.00 0.00 H new ATOM 0 HA ALA B 1 8.154 -18.412 3.116 1.00 0.00 H new ATOM 0 HB1 ALA B 1 10.370 -17.624 2.358 1.00 0.00 H new ATOM 0 HB2 ALA B 1 9.719 -18.885 1.284 1.00 0.00 H new ATOM 0 HB3 ALA B 1 9.668 -17.178 0.785 1.00 0.00 H new ATOM 1204 N ARG B 2 9.146 -15.564 2.983 1.00 0.00 N ATOM 1205 CA ARG B 2 9.100 -14.205 3.511 1.00 0.00 C ATOM 1206 C ARG B 2 8.216 -13.308 2.651 1.00 0.00 C ATOM 1207 O ARG B 2 7.435 -12.510 3.171 1.00 0.00 O ATOM 1208 CB ARG B 2 10.511 -13.618 3.593 1.00 0.00 C ATOM 1209 CG ARG B 2 11.436 -14.377 4.529 1.00 0.00 C ATOM 1210 CD ARG B 2 12.811 -13.732 4.594 1.00 0.00 C ATOM 1211 NE ARG B 2 13.488 -13.744 3.298 1.00 0.00 N ATOM 1212 CZ ARG B 2 13.856 -14.855 2.664 1.00 0.00 C ATOM 1213 NH1 ARG B 2 13.629 -16.043 3.209 1.00 0.00 N ATOM 1214 NH2 ARG B 2 14.459 -14.778 1.486 1.00 0.00 N ATOM 0 H ARG B 2 10.080 -15.887 2.733 1.00 0.00 H new ATOM 0 HA ARG B 2 8.671 -14.251 4.512 1.00 0.00 H new ATOM 0 HB2 ARG B 2 10.949 -13.607 2.595 1.00 0.00 H new ATOM 0 HB3 ARG B 2 10.445 -12.582 3.924 1.00 0.00 H new ATOM 0 HG2 ARG B 2 11.000 -14.409 5.527 1.00 0.00 H new ATOM 0 HG3 ARG B 2 11.532 -15.409 4.190 1.00 0.00 H new ATOM 0 HD2 ARG B 2 12.712 -12.703 4.941 1.00 0.00 H new ATOM 0 HD3 ARG B 2 13.423 -14.258 5.327 1.00 0.00 H new ATOM 0 HE ARG B 2 13.690 -12.848 2.854 1.00 0.00 H new ATOM 0 HH11 ARG B 2 13.171 -16.108 4.118 1.00 0.00 H new ATOM 0 HH12 ARG B 2 13.913 -16.891 2.719 1.00 0.00 H new ATOM 0 HH21 ARG B 2 14.641 -13.867 1.065 1.00 0.00 H new ATOM 0 HH22 ARG B 2 14.741 -15.630 1.001 1.00 0.00 H new ATOM 1228 N THR B 3 8.346 -13.437 1.334 1.00 0.00 N ATOM 1229 CA THR B 3 7.561 -12.629 0.408 1.00 0.00 C ATOM 1230 C THR B 3 6.069 -12.923 0.537 1.00 0.00 C ATOM 1231 O THR B 3 5.631 -14.062 0.369 1.00 0.00 O ATOM 1232 CB THR B 3 8.004 -12.854 -1.052 1.00 0.00 C ATOM 1233 OG1 THR B 3 7.166 -12.106 -1.940 1.00 0.00 O ATOM 1234 CG2 THR B 3 7.952 -14.331 -1.420 1.00 0.00 C ATOM 0 H THR B 3 8.986 -14.092 0.885 1.00 0.00 H new ATOM 0 HA THR B 3 7.739 -11.587 0.673 1.00 0.00 H new ATOM 0 HB THR B 3 9.034 -12.511 -1.148 1.00 0.00 H new ATOM 0 HG1 THR B 3 7.455 -12.253 -2.865 1.00 0.00 H new ATOM 0 HG21 THR B 3 8.270 -14.460 -2.455 1.00 0.00 H new ATOM 0 HG22 THR B 3 8.617 -14.893 -0.764 1.00 0.00 H new ATOM 0 HG23 THR B 3 6.932 -14.699 -1.305 1.00 0.00 H new HETATM 1242 N MLY B 4 5.296 -11.878 0.833 1.00 0.00 N HETATM 1243 CA MLY B 4 3.846 -11.993 0.989 1.00 0.00 C HETATM 1244 CB MLY B 4 3.501 -13.095 2.001 1.00 0.00 C HETATM 1245 CG MLY B 4 2.030 -13.488 2.007 1.00 0.00 C HETATM 1246 CD MLY B 4 1.599 -14.075 0.672 1.00 0.00 C HETATM 1247 CE MLY B 4 0.121 -14.429 0.673 1.00 0.00 C HETATM 1248 NZ MLY B 4 -0.210 -15.429 1.726 1.00 0.00 N HETATM 1249 CH1 MLY B 4 -1.177 -14.934 2.518 1.00 0.00 C HETATM 1250 CH2 MLY B 4 -0.648 -16.559 1.144 1.00 0.00 C HETATM 1251 C MLY B 4 3.261 -10.647 1.432 1.00 0.00 C HETATM 1252 O MLY B 4 3.486 -9.629 0.777 1.00 0.00 O HETATM 0 HH23 MLY B 4 -1.538 -16.343 0.554 1.00 0.00 H new HETATM 0 HH22 MLY B 4 0.130 -16.959 0.494 1.00 0.00 H new HETATM 0 HH21 MLY B 4 -0.891 -17.293 1.912 1.00 0.00 H new HETATM 0 HH13 MLY B 4 -0.829 -14.013 2.985 1.00 0.00 H new HETATM 0 HH12 MLY B 4 -2.065 -14.725 1.921 1.00 0.00 H new HETATM 0 HH11 MLY B 4 -1.423 -15.662 3.291 1.00 0.00 H new HETATM 0 HG3 MLY B 4 1.851 -14.215 2.799 1.00 0.00 H new HETATM 0 HG2 MLY B 4 1.421 -12.613 2.234 1.00 0.00 H new HETATM 0 HE3 MLY B 4 -0.468 -13.526 0.832 1.00 0.00 H new HETATM 0 HE2 MLY B 4 -0.158 -14.824 -0.304 1.00 0.00 H new HETATM 0 HD3 MLY B 4 1.803 -13.359 -0.125 1.00 0.00 H new HETATM 0 HD2 MLY B 4 2.188 -14.967 0.458 1.00 0.00 H new HETATM 0 HB3 MLY B 4 4.102 -13.977 1.781 1.00 0.00 H new HETATM 0 HB2 MLY B 4 3.781 -12.759 2.999 1.00 0.00 H new HETATM 0 HA MLY B 4 3.407 -12.265 0.029 1.00 0.00 H new ATOM 1270 N GLN B 5 2.525 -10.642 2.548 1.00 0.00 N ATOM 1271 CA GLN B 5 1.926 -9.419 3.082 1.00 0.00 C ATOM 1272 C GLN B 5 0.886 -8.830 2.128 1.00 0.00 C ATOM 1273 O GLN B 5 1.080 -8.804 0.913 1.00 0.00 O ATOM 1274 CB GLN B 5 3.014 -8.384 3.377 1.00 0.00 C ATOM 1275 CG GLN B 5 4.092 -8.882 4.329 1.00 0.00 C ATOM 1276 CD GLN B 5 3.553 -9.224 5.706 1.00 0.00 C ATOM 1277 OE1 GLN B 5 2.694 -10.093 5.854 1.00 0.00 O ATOM 1278 NE2 GLN B 5 4.060 -8.539 6.725 1.00 0.00 N ATOM 0 H GLN B 5 2.330 -11.477 3.100 1.00 0.00 H new ATOM 0 HA GLN B 5 1.414 -9.681 4.008 1.00 0.00 H new ATOM 0 HB2 GLN B 5 3.481 -8.084 2.439 1.00 0.00 H new ATOM 0 HB3 GLN B 5 2.550 -7.494 3.802 1.00 0.00 H new ATOM 0 HG2 GLN B 5 4.568 -9.765 3.901 1.00 0.00 H new ATOM 0 HG3 GLN B 5 4.864 -8.119 4.426 1.00 0.00 H new ATOM 0 HE21 GLN B 5 4.771 -7.827 6.557 1.00 0.00 H new ATOM 0 HE22 GLN B 5 3.738 -8.725 7.675 1.00 0.00 H new ATOM 1287 N THR B 6 -0.221 -8.355 2.695 1.00 0.00 N ATOM 1288 CA THR B 6 -1.298 -7.761 1.908 1.00 0.00 C ATOM 1289 C THR B 6 -1.528 -6.304 2.312 1.00 0.00 C ATOM 1290 O THR B 6 -0.676 -5.691 2.950 1.00 0.00 O ATOM 1291 CB THR B 6 -2.612 -8.546 2.089 1.00 0.00 C ATOM 1292 OG1 THR B 6 -2.973 -8.578 3.475 1.00 0.00 O ATOM 1293 CG2 THR B 6 -2.472 -9.967 1.566 1.00 0.00 C ATOM 0 H THR B 6 -0.395 -8.370 3.700 1.00 0.00 H new ATOM 0 HA THR B 6 -0.996 -7.803 0.861 1.00 0.00 H new ATOM 0 HB THR B 6 -3.392 -8.042 1.519 1.00 0.00 H new ATOM 0 HG1 THR B 6 -3.157 -9.502 3.744 1.00 0.00 H new ATOM 0 HG21 THR B 6 -3.412 -10.500 1.705 1.00 0.00 H new ATOM 0 HG22 THR B 6 -2.223 -9.941 0.505 1.00 0.00 H new ATOM 0 HG23 THR B 6 -1.680 -10.479 2.112 1.00 0.00 H new ATOM 1301 N ALA B 7 -2.688 -5.760 1.950 1.00 0.00 N ATOM 1302 CA ALA B 7 -3.026 -4.380 2.290 1.00 0.00 C ATOM 1303 C ALA B 7 -4.460 -4.054 1.887 1.00 0.00 C ATOM 1304 O ALA B 7 -4.734 -2.981 1.355 1.00 0.00 O ATOM 1305 CB ALA B 7 -2.047 -3.405 1.643 1.00 0.00 C ATOM 0 H ALA B 7 -3.408 -6.253 1.422 1.00 0.00 H new ATOM 0 HA ALA B 7 -2.947 -4.272 3.372 1.00 0.00 H new ATOM 0 HB1 ALA B 7 -2.320 -2.384 1.911 1.00 0.00 H new ATOM 0 HB2 ALA B 7 -1.037 -3.615 1.996 1.00 0.00 H new ATOM 0 HB3 ALA B 7 -2.084 -3.518 0.559 1.00 0.00 H new ATOM 1311 N ARG B 8 -5.366 -4.991 2.164 1.00 0.00 N ATOM 1312 CA ARG B 8 -6.791 -4.834 1.864 1.00 0.00 C ATOM 1313 C ARG B 8 -7.033 -4.005 0.596 1.00 0.00 C ATOM 1314 O ARG B 8 -6.466 -4.286 -0.460 1.00 0.00 O ATOM 1315 CB ARG B 8 -7.507 -4.196 3.056 1.00 0.00 C ATOM 1316 CG ARG B 8 -7.256 -4.907 4.377 1.00 0.00 C ATOM 1317 CD ARG B 8 -7.931 -4.182 5.531 1.00 0.00 C ATOM 1318 NE ARG B 8 -7.583 -4.755 6.831 1.00 0.00 N ATOM 1319 CZ ARG B 8 -7.893 -5.994 7.205 1.00 0.00 C ATOM 1320 NH1 ARG B 8 -8.555 -6.796 6.383 1.00 0.00 N ATOM 1321 NH2 ARG B 8 -7.540 -6.431 8.407 1.00 0.00 N ATOM 0 H ARG B 8 -5.134 -5.882 2.603 1.00 0.00 H new ATOM 0 HA ARG B 8 -7.197 -5.829 1.680 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -7.187 -3.158 3.147 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -8.579 -4.183 2.859 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -7.629 -5.929 4.319 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -6.183 -4.969 4.561 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -7.645 -3.130 5.513 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -9.012 -4.221 5.398 1.00 0.00 H new ATOM 0 HE ARG B 8 -7.072 -4.169 7.491 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -8.830 -6.465 5.458 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -8.790 -7.745 6.675 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -7.031 -5.817 9.044 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -7.777 -7.380 8.694 1.00 0.00 H new HETATM 1335 N MLY B 9 -7.882 -2.981 0.719 1.00 0.00 N HETATM 1336 CA MLY B 9 -8.215 -2.101 -0.398 1.00 0.00 C HETATM 1337 CB MLY B 9 -9.109 -2.837 -1.407 1.00 0.00 C HETATM 1338 CG MLY B 9 -9.441 -2.024 -2.652 1.00 0.00 C HETATM 1339 CD MLY B 9 -8.210 -1.762 -3.505 1.00 0.00 C HETATM 1340 CE MLY B 9 -7.736 -3.031 -4.202 1.00 0.00 C HETATM 1341 NZ MLY B 9 -6.519 -2.802 -5.034 1.00 0.00 N HETATM 1342 CH1 MLY B 9 -6.105 -3.981 -5.533 1.00 0.00 C HETATM 1343 CH2 MLY B 9 -6.814 -1.973 -6.053 1.00 0.00 C HETATM 1344 C MLY B 9 -8.918 -0.845 0.127 1.00 0.00 C HETATM 1345 O MLY B 9 -9.869 -0.344 -0.472 1.00 0.00 O HETATM 0 HH23 MLY B 9 -7.594 -2.418 -6.670 1.00 0.00 H new HETATM 0 HH22 MLY B 9 -7.165 -1.020 -5.657 1.00 0.00 H new HETATM 0 HH21 MLY B 9 -5.922 -1.808 -6.658 1.00 0.00 H new HETATM 0 HH13 MLY B 9 -5.869 -4.660 -4.714 1.00 0.00 H new HETATM 0 HH12 MLY B 9 -6.895 -4.414 -6.147 1.00 0.00 H new HETATM 0 HH11 MLY B 9 -5.215 -3.826 -6.143 1.00 0.00 H new HETATM 0 HG3 MLY B 9 -10.186 -2.555 -3.244 1.00 0.00 H new HETATM 0 HG2 MLY B 9 -9.887 -1.074 -2.357 1.00 0.00 H new HETATM 0 HE3 MLY B 9 -7.523 -3.795 -3.454 1.00 0.00 H new HETATM 0 HE2 MLY B 9 -8.537 -3.417 -4.833 1.00 0.00 H new HETATM 0 HD3 MLY B 9 -8.437 -0.999 -4.250 1.00 0.00 H new HETATM 0 HD2 MLY B 9 -7.409 -1.368 -2.879 1.00 0.00 H new HETATM 0 HB3 MLY B 9 -8.614 -3.760 -1.710 1.00 0.00 H new HETATM 0 HB2 MLY B 9 -10.038 -3.121 -0.913 1.00 0.00 H new HETATM 0 HA MLY B 9 -7.297 -1.805 -0.907 1.00 0.00 H new ATOM 1363 N SER B 10 -8.434 -0.346 1.264 1.00 0.00 N ATOM 1364 CA SER B 10 -8.999 0.846 1.891 1.00 0.00 C ATOM 1365 C SER B 10 -10.498 0.681 2.135 1.00 0.00 C ATOM 1366 O SER B 10 -11.267 1.633 1.999 1.00 0.00 O ATOM 1367 CB SER B 10 -8.739 2.078 1.020 1.00 0.00 C ATOM 1368 OG SER B 10 -9.236 3.256 1.634 1.00 0.00 O ATOM 0 H SER B 10 -7.648 -0.752 1.771 1.00 0.00 H new ATOM 0 HA SER B 10 -8.511 0.983 2.856 1.00 0.00 H new ATOM 0 HB2 SER B 10 -7.669 2.181 0.843 1.00 0.00 H new ATOM 0 HB3 SER B 10 -9.212 1.945 0.047 1.00 0.00 H new ATOM 0 HG SER B 10 -10.180 3.131 1.865 1.00 0.00 H new ATOM 1374 N THR B 11 -10.902 -0.536 2.502 1.00 0.00 N ATOM 1375 CA THR B 11 -12.304 -0.841 2.774 1.00 0.00 C ATOM 1376 C THR B 11 -13.170 -0.659 1.528 1.00 0.00 C ATOM 1377 O THR B 11 -13.030 0.323 0.798 1.00 0.00 O ATOM 1378 CB THR B 11 -12.866 0.038 3.909 1.00 0.00 C ATOM 1379 OG1 THR B 11 -12.083 -0.133 5.096 1.00 0.00 O ATOM 1380 CG2 THR B 11 -14.317 -0.313 4.202 1.00 0.00 C ATOM 0 H THR B 11 -10.272 -1.330 2.618 1.00 0.00 H new ATOM 0 HA THR B 11 -12.338 -1.886 3.083 1.00 0.00 H new ATOM 0 HB THR B 11 -12.818 1.078 3.587 1.00 0.00 H new ATOM 0 HG1 THR B 11 -12.362 -0.952 5.557 1.00 0.00 H new ATOM 0 HG21 THR B 11 -14.689 0.321 5.006 1.00 0.00 H new ATOM 0 HG22 THR B 11 -14.918 -0.154 3.307 1.00 0.00 H new ATOM 0 HG23 THR B 11 -14.385 -1.358 4.503 1.00 0.00 H new ATOM 1388 N GLY B 12 -14.065 -1.613 1.291 1.00 0.00 N ATOM 1389 CA GLY B 12 -14.939 -1.539 0.133 1.00 0.00 C ATOM 1390 C GLY B 12 -14.191 -1.724 -1.174 1.00 0.00 C ATOM 1391 O GLY B 12 -13.096 -1.191 -1.350 1.00 0.00 O ATOM 0 H GLY B 12 -14.201 -2.435 1.879 1.00 0.00 H new ATOM 0 HA2 GLY B 12 -15.712 -2.303 0.216 1.00 0.00 H new ATOM 0 HA3 GLY B 12 -15.444 -0.573 0.125 1.00 0.00 H new ATOM 1395 N GLY B 13 -14.784 -2.483 -2.090 1.00 0.00 N ATOM 1396 CA GLY B 13 -14.150 -2.725 -3.374 1.00 0.00 C ATOM 1397 C GLY B 13 -15.015 -3.553 -4.305 1.00 0.00 C ATOM 1398 O GLY B 13 -15.695 -4.481 -3.868 1.00 0.00 O ATOM 0 H GLY B 13 -15.690 -2.934 -1.967 1.00 0.00 H new ATOM 0 HA2 GLY B 13 -13.923 -1.770 -3.848 1.00 0.00 H new ATOM 0 HA3 GLY B 13 -13.201 -3.236 -3.216 1.00 0.00 H new ATOM 1402 N LYS B 14 -14.986 -3.216 -5.591 1.00 0.00 N ATOM 1403 CA LYS B 14 -15.771 -3.936 -6.589 1.00 0.00 C ATOM 1404 C LYS B 14 -15.271 -3.631 -7.998 1.00 0.00 C ATOM 1405 O LYS B 14 -14.594 -4.454 -8.614 1.00 0.00 O ATOM 1406 CB LYS B 14 -17.251 -3.559 -6.468 1.00 0.00 C ATOM 1407 CG LYS B 14 -18.152 -4.263 -7.476 1.00 0.00 C ATOM 1408 CD LYS B 14 -18.187 -5.767 -7.250 1.00 0.00 C ATOM 1409 CE LYS B 14 -18.811 -6.116 -5.908 1.00 0.00 C ATOM 1410 NZ LYS B 14 -20.206 -5.609 -5.796 1.00 0.00 N ATOM 0 H LYS B 14 -14.428 -2.449 -5.967 1.00 0.00 H new ATOM 0 HA LYS B 14 -15.657 -5.004 -6.406 1.00 0.00 H new ATOM 0 HB2 LYS B 14 -17.595 -3.795 -5.461 1.00 0.00 H new ATOM 0 HB3 LYS B 14 -17.353 -2.481 -6.595 1.00 0.00 H new ATOM 0 HG2 LYS B 14 -19.163 -3.861 -7.403 1.00 0.00 H new ATOM 0 HG3 LYS B 14 -17.799 -4.056 -8.486 1.00 0.00 H new ATOM 0 HD2 LYS B 14 -18.754 -6.243 -8.050 1.00 0.00 H new ATOM 0 HD3 LYS B 14 -17.174 -6.166 -7.296 1.00 0.00 H new ATOM 0 HE2 LYS B 14 -18.806 -7.198 -5.776 1.00 0.00 H new ATOM 0 HE3 LYS B 14 -18.206 -5.694 -5.106 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 -20.686 -6.085 -5.005 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 -20.190 -4.583 -5.625 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 -20.718 -5.804 -6.680 1.00 0.00 H new ATOM 1424 N ALA B 15 -15.605 -2.441 -8.499 1.00 0.00 N ATOM 1425 CA ALA B 15 -15.189 -2.022 -9.835 1.00 0.00 C ATOM 1426 C ALA B 15 -15.732 -0.634 -10.171 1.00 0.00 C ATOM 1427 O ALA B 15 -16.891 -0.331 -9.890 1.00 0.00 O ATOM 1428 CB ALA B 15 -15.653 -3.027 -10.880 1.00 0.00 C ATOM 0 H ALA B 15 -16.163 -1.750 -7.997 1.00 0.00 H new ATOM 0 HA ALA B 15 -14.100 -1.978 -9.845 1.00 0.00 H new ATOM 0 HB1 ALA B 15 -15.334 -2.697 -11.869 1.00 0.00 H new ATOM 0 HB2 ALA B 15 -15.218 -4.003 -10.665 1.00 0.00 H new ATOM 0 HB3 ALA B 15 -16.740 -3.101 -10.856 1.00 0.00 H new ATOM 1434 N PRO B 16 -14.898 0.231 -10.781 1.00 0.00 N ATOM 1435 CA PRO B 16 -15.301 1.591 -11.159 1.00 0.00 C ATOM 1436 C PRO B 16 -16.396 1.590 -12.227 1.00 0.00 C ATOM 1437 O PRO B 16 -17.337 0.799 -12.162 1.00 0.00 O ATOM 1438 CB PRO B 16 -14.011 2.219 -11.708 1.00 0.00 C ATOM 1439 CG PRO B 16 -12.907 1.329 -11.244 1.00 0.00 C ATOM 1440 CD PRO B 16 -13.501 -0.044 -11.152 1.00 0.00 C ATOM 0 HA PRO B 16 -15.722 2.139 -10.316 1.00 0.00 H new ATOM 0 HB2 PRO B 16 -14.036 2.279 -12.796 1.00 0.00 H new ATOM 0 HB3 PRO B 16 -13.879 3.235 -11.335 1.00 0.00 H new ATOM 0 HG2 PRO B 16 -12.070 1.347 -11.942 1.00 0.00 H new ATOM 0 HG3 PRO B 16 -12.522 1.654 -10.277 1.00 0.00 H new ATOM 0 HD2 PRO B 16 -13.432 -0.579 -12.099 1.00 0.00 H new ATOM 0 HD3 PRO B 16 -12.996 -0.654 -10.403 1.00 0.00 H new ATOM 1448 N GLY B 17 -16.268 2.476 -13.211 1.00 0.00 N ATOM 1449 CA GLY B 17 -17.255 2.550 -14.273 1.00 0.00 C ATOM 1450 C GLY B 17 -16.892 3.568 -15.336 1.00 0.00 C ATOM 1451 O GLY B 17 -16.995 3.290 -16.531 1.00 0.00 O ATOM 0 H GLY B 17 -15.500 3.142 -13.291 1.00 0.00 H new ATOM 0 HA2 GLY B 17 -17.360 1.569 -14.736 1.00 0.00 H new ATOM 0 HA3 GLY B 17 -18.225 2.806 -13.846 1.00 0.00 H new ATOM 1455 N GLY B 18 -16.464 4.749 -14.901 1.00 0.00 N ATOM 1456 CA GLY B 18 -16.091 5.793 -15.837 1.00 0.00 C ATOM 1457 C GLY B 18 -15.653 7.067 -15.142 1.00 0.00 C ATOM 1458 O GLY B 18 -16.231 8.134 -15.440 1.00 0.00 O ATOM 1459 OXT GLY B 18 -14.735 6.999 -14.298 1.00 0.00 O ATOM 0 H GLY B 18 -16.369 5.001 -13.917 1.00 0.00 H new ATOM 0 HA2 GLY B 18 -15.282 5.434 -16.473 1.00 0.00 H new ATOM 0 HA3 GLY B 18 -16.937 6.011 -16.489 1.00 0.00 H new TER 1463 GLY B 18