USER MOD reduce.3.24.130724 H: found=0, std=0, add=868, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 863 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 95 THR OG1 : rot -86:sc= 0.4! USER MOD Set 1.2: A 96 HIS : no HD1:sc= 0.902 K(o=1.3,f=-2.3) USER MOD Set 2.1: A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 2.2: A 48 ASN : amide:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 150:sc= -0.564 (180deg=-2.46!) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -1.46 K(o=-1.5,f=-0.33) USER MOD Single : A 7 GLN : amide:sc= -1.43! K(o=-1.4!,f=-0.081) USER MOD Single : A 19 SER OG : rot 143:sc= 0.129 USER MOD Single : A 20 SER OG : rot 150:sc= 0.0387 USER MOD Single : A 21 CYS SG : rot 62:sc=0.000718 USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 GLN : amide:sc= -0.544 K(o=-0.54,f=-2.4!) USER MOD Single : A 32 THR OG1 : rot -73:sc= -4.37! USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 14:sc= -5.6! USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.575 K(o=-0.58,f=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.0848 USER MOD Single : A 64 LYS NZ :NH3+ 165:sc= -4.76! (180deg=-5.77!) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot -113:sc= -1.8 USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.393 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -0.0143 K(o=-0.014,f=0.91) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 ASN : amide:sc= 0.488 K(o=0.49,f=-7.3!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= -2.1! K(o=-2.1!,f=-0.066) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= -0.526 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 GLN : amide:sc= -0.0593 X(o=-0.059,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -30.244 12.080 -13.317 1.00 0.00 N ATOM 2 CA MET A 1 -29.417 13.250 -12.907 1.00 0.00 C ATOM 3 C MET A 1 -29.798 13.670 -11.492 1.00 0.00 C ATOM 4 O MET A 1 -29.676 14.839 -11.127 1.00 0.00 O ATOM 5 CB MET A 1 -29.658 14.409 -13.878 1.00 0.00 C ATOM 6 CG MET A 1 -31.162 14.644 -14.033 1.00 0.00 C ATOM 7 SD MET A 1 -31.740 15.736 -12.710 1.00 0.00 S ATOM 8 CE MET A 1 -33.304 14.887 -12.381 1.00 0.00 C ATOM 0 H1 MET A 1 -30.385 12.098 -14.347 1.00 0.00 H new ATOM 0 H2 MET A 1 -29.758 11.200 -13.049 1.00 0.00 H new ATOM 0 H3 MET A 1 -31.168 12.124 -12.841 1.00 0.00 H new ATOM 0 HA MET A 1 -28.362 12.979 -12.928 1.00 0.00 H new ATOM 0 HB2 MET A 1 -29.175 15.313 -13.508 1.00 0.00 H new ATOM 0 HB3 MET A 1 -29.213 14.183 -14.847 1.00 0.00 H new ATOM 0 HG2 MET A 1 -31.373 15.089 -15.005 1.00 0.00 H new ATOM 0 HG3 MET A 1 -31.695 13.694 -13.995 1.00 0.00 H new ATOM 0 HE1 MET A 1 -33.837 15.402 -11.582 1.00 0.00 H new ATOM 0 HE2 MET A 1 -33.915 14.888 -13.283 1.00 0.00 H new ATOM 0 HE3 MET A 1 -33.103 13.859 -12.079 1.00 0.00 H new ATOM 18 N THR A 2 -30.261 12.709 -10.700 1.00 0.00 N ATOM 19 CA THR A 2 -30.659 12.990 -9.325 1.00 0.00 C ATOM 20 C THR A 2 -29.449 13.391 -8.487 1.00 0.00 C ATOM 21 O THR A 2 -28.345 12.886 -8.692 1.00 0.00 O ATOM 22 CB THR A 2 -31.324 11.755 -8.713 1.00 0.00 C ATOM 23 OG1 THR A 2 -31.825 12.081 -7.424 1.00 0.00 O ATOM 24 CG2 THR A 2 -30.299 10.626 -8.593 1.00 0.00 C ATOM 0 H THR A 2 -30.370 11.735 -10.983 1.00 0.00 H new ATOM 0 HA THR A 2 -31.368 13.818 -9.332 1.00 0.00 H new ATOM 0 HB THR A 2 -32.145 11.429 -9.352 1.00 0.00 H new ATOM 0 HG1 THR A 2 -32.253 11.292 -7.030 1.00 0.00 H new ATOM 0 HG21 THR A 2 -30.775 9.748 -8.157 1.00 0.00 H new ATOM 0 HG22 THR A 2 -29.914 10.377 -9.582 1.00 0.00 H new ATOM 0 HG23 THR A 2 -29.476 10.948 -7.954 1.00 0.00 H new ATOM 32 N ALA A 3 -29.665 14.301 -7.542 1.00 0.00 N ATOM 33 CA ALA A 3 -28.584 14.762 -6.679 1.00 0.00 C ATOM 34 C ALA A 3 -27.844 13.577 -6.069 1.00 0.00 C ATOM 35 O ALA A 3 -28.089 12.426 -6.430 1.00 0.00 O ATOM 36 CB ALA A 3 -29.145 15.646 -5.564 1.00 0.00 C ATOM 0 H ALA A 3 -30.571 14.731 -7.356 1.00 0.00 H new ATOM 0 HA ALA A 3 -27.885 15.341 -7.282 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -28.330 15.986 -4.924 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -29.647 16.509 -6.002 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -29.858 15.074 -4.970 1.00 0.00 H new ATOM 42 N GLU A 4 -26.938 13.865 -5.140 1.00 0.00 N ATOM 43 CA GLU A 4 -26.168 12.816 -4.484 1.00 0.00 C ATOM 44 C GLU A 4 -27.092 11.885 -3.704 1.00 0.00 C ATOM 45 O GLU A 4 -28.241 12.229 -3.426 1.00 0.00 O ATOM 46 CB GLU A 4 -25.144 13.438 -3.533 1.00 0.00 C ATOM 47 CG GLU A 4 -24.211 14.358 -4.321 1.00 0.00 C ATOM 48 CD GLU A 4 -24.789 15.769 -4.371 1.00 0.00 C ATOM 49 OE1 GLU A 4 -25.218 16.249 -3.334 1.00 0.00 O ATOM 50 OE2 GLU A 4 -24.795 16.349 -5.444 1.00 0.00 O ATOM 0 H GLU A 4 -26.720 14.811 -4.826 1.00 0.00 H new ATOM 0 HA GLU A 4 -25.648 12.238 -5.248 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -25.653 14.002 -2.751 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -24.568 12.655 -3.039 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -23.226 14.376 -3.855 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -24.078 13.975 -5.333 1.00 0.00 H new ATOM 57 N LEU A 5 -26.584 10.707 -3.353 1.00 0.00 N ATOM 58 CA LEU A 5 -27.381 9.741 -2.603 1.00 0.00 C ATOM 59 C LEU A 5 -26.760 9.478 -1.234 1.00 0.00 C ATOM 60 O LEU A 5 -25.646 9.918 -0.953 1.00 0.00 O ATOM 61 CB LEU A 5 -27.492 8.423 -3.377 1.00 0.00 C ATOM 62 CG LEU A 5 -26.480 8.392 -4.526 1.00 0.00 C ATOM 63 CD1 LEU A 5 -26.830 9.471 -5.554 1.00 0.00 C ATOM 64 CD2 LEU A 5 -25.070 8.640 -3.981 1.00 0.00 C ATOM 0 H LEU A 5 -25.636 10.401 -3.572 1.00 0.00 H new ATOM 0 HA LEU A 5 -28.378 10.160 -2.465 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -27.315 7.583 -2.705 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -28.502 8.309 -3.770 1.00 0.00 H new ATOM 0 HG LEU A 5 -26.514 7.414 -5.005 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -26.107 9.445 -6.369 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -27.829 9.287 -5.949 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -26.803 10.451 -5.077 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -24.353 8.617 -4.802 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -25.034 9.615 -3.495 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -24.818 7.865 -3.258 1.00 0.00 H new ATOM 76 N GLN A 6 -27.487 8.754 -0.387 1.00 0.00 N ATOM 77 CA GLN A 6 -26.993 8.438 0.947 1.00 0.00 C ATOM 78 C GLN A 6 -25.799 7.493 0.860 1.00 0.00 C ATOM 79 O GLN A 6 -24.680 7.855 1.224 1.00 0.00 O ATOM 80 CB GLN A 6 -28.105 7.789 1.776 1.00 0.00 C ATOM 81 CG GLN A 6 -28.830 8.862 2.590 1.00 0.00 C ATOM 82 CD GLN A 6 -27.879 9.469 3.617 1.00 0.00 C ATOM 83 OE1 GLN A 6 -28.011 10.640 3.972 1.00 0.00 O ATOM 84 NE2 GLN A 6 -26.924 8.736 4.119 1.00 0.00 N ATOM 0 H GLN A 6 -28.411 8.379 -0.599 1.00 0.00 H new ATOM 0 HA GLN A 6 -26.677 9.363 1.429 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -28.810 7.277 1.121 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -27.684 7.036 2.442 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -29.207 9.640 1.927 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -29.693 8.427 3.094 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -26.817 7.766 3.823 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -26.285 9.133 4.807 1.00 0.00 H new ATOM 93 N GLN A 7 -26.045 6.283 0.370 1.00 0.00 N ATOM 94 CA GLN A 7 -24.983 5.293 0.230 1.00 0.00 C ATOM 95 C GLN A 7 -24.275 5.061 1.561 1.00 0.00 C ATOM 96 O GLN A 7 -23.374 4.228 1.658 1.00 0.00 O ATOM 97 CB GLN A 7 -23.968 5.767 -0.811 1.00 0.00 C ATOM 98 CG GLN A 7 -23.449 4.564 -1.599 1.00 0.00 C ATOM 99 CD GLN A 7 -22.210 4.960 -2.396 1.00 0.00 C ATOM 100 OE1 GLN A 7 -21.976 4.433 -3.484 1.00 0.00 O ATOM 101 NE2 GLN A 7 -21.399 5.864 -1.918 1.00 0.00 N ATOM 0 H GLN A 7 -26.965 5.965 0.065 1.00 0.00 H new ATOM 0 HA GLN A 7 -25.432 4.354 -0.093 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -24.432 6.485 -1.487 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -23.140 6.279 -0.321 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -23.208 3.748 -0.917 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -24.224 4.198 -2.273 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -21.595 6.299 -1.017 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -20.569 6.135 -2.446 1.00 0.00 H new ATOM 110 N ASP A 8 -24.683 5.804 2.582 1.00 0.00 N ATOM 111 CA ASP A 8 -24.074 5.670 3.901 1.00 0.00 C ATOM 112 C ASP A 8 -25.043 5.024 4.879 1.00 0.00 C ATOM 113 O ASP A 8 -24.638 4.410 5.865 1.00 0.00 O ATOM 114 CB ASP A 8 -23.666 7.047 4.427 1.00 0.00 C ATOM 115 CG ASP A 8 -22.630 7.676 3.500 1.00 0.00 C ATOM 116 OD1 ASP A 8 -22.644 7.355 2.323 1.00 0.00 O ATOM 117 OD2 ASP A 8 -21.838 8.468 3.982 1.00 0.00 O ATOM 0 H ASP A 8 -25.426 6.500 2.525 1.00 0.00 H new ATOM 0 HA ASP A 8 -23.193 5.035 3.808 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -24.542 7.692 4.498 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -23.257 6.954 5.433 1.00 0.00 H new ATOM 122 N ASP A 9 -26.325 5.178 4.596 1.00 0.00 N ATOM 123 CA ASP A 9 -27.364 4.620 5.454 1.00 0.00 C ATOM 124 C ASP A 9 -27.192 3.115 5.613 1.00 0.00 C ATOM 125 O ASP A 9 -27.570 2.539 6.633 1.00 0.00 O ATOM 126 CB ASP A 9 -28.745 4.919 4.870 1.00 0.00 C ATOM 127 CG ASP A 9 -29.775 5.004 5.992 1.00 0.00 C ATOM 128 OD1 ASP A 9 -30.013 3.990 6.627 1.00 0.00 O ATOM 129 OD2 ASP A 9 -30.309 6.081 6.199 1.00 0.00 O ATOM 0 H ASP A 9 -26.674 5.683 3.781 1.00 0.00 H new ATOM 0 HA ASP A 9 -27.276 5.085 6.436 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -28.720 5.857 4.316 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -29.028 4.139 4.163 1.00 0.00 H new ATOM 134 N ALA A 10 -26.622 2.490 4.598 1.00 0.00 N ATOM 135 CA ALA A 10 -26.402 1.050 4.622 1.00 0.00 C ATOM 136 C ALA A 10 -25.348 0.650 3.594 1.00 0.00 C ATOM 137 O ALA A 10 -24.995 1.435 2.715 1.00 0.00 O ATOM 138 CB ALA A 10 -27.711 0.321 4.325 1.00 0.00 C ATOM 0 H ALA A 10 -26.303 2.953 3.747 1.00 0.00 H new ATOM 0 HA ALA A 10 -26.046 0.771 5.614 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -27.540 -0.755 4.344 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -28.453 0.584 5.079 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -28.075 0.613 3.340 1.00 0.00 H new ATOM 144 N ALA A 11 -24.851 -0.578 3.713 1.00 0.00 N ATOM 145 CA ALA A 11 -23.836 -1.073 2.789 1.00 0.00 C ATOM 146 C ALA A 11 -23.864 -2.598 2.726 1.00 0.00 C ATOM 147 O ALA A 11 -23.460 -3.194 1.727 1.00 0.00 O ATOM 148 CB ALA A 11 -22.451 -0.607 3.240 1.00 0.00 C ATOM 0 H ALA A 11 -25.132 -1.243 4.433 1.00 0.00 H new ATOM 0 HA ALA A 11 -24.050 -0.676 1.797 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -21.698 -0.980 2.546 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -22.421 0.482 3.257 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -22.245 -0.991 4.239 1.00 0.00 H new ATOM 154 N GLY A 12 -24.340 -3.222 3.799 1.00 0.00 N ATOM 155 CA GLY A 12 -24.413 -4.678 3.856 1.00 0.00 C ATOM 156 C GLY A 12 -23.542 -5.220 4.984 1.00 0.00 C ATOM 157 O GLY A 12 -23.157 -4.482 5.891 1.00 0.00 O ATOM 0 H GLY A 12 -24.679 -2.746 4.635 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -25.447 -4.989 4.007 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -24.089 -5.100 2.905 1.00 0.00 H new ATOM 161 N ALA A 13 -23.234 -6.512 4.924 1.00 0.00 N ATOM 162 CA ALA A 13 -22.408 -7.138 5.951 1.00 0.00 C ATOM 163 C ALA A 13 -20.933 -6.817 5.725 1.00 0.00 C ATOM 164 O ALA A 13 -20.597 -5.818 5.088 1.00 0.00 O ATOM 165 CB ALA A 13 -22.610 -8.655 5.934 1.00 0.00 C ATOM 0 H ALA A 13 -23.541 -7.141 4.182 1.00 0.00 H new ATOM 0 HA ALA A 13 -22.709 -6.743 6.921 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -21.989 -9.113 6.704 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -23.658 -8.885 6.128 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -22.327 -9.049 4.958 1.00 0.00 H new ATOM 171 N ALA A 14 -20.059 -7.670 6.249 1.00 0.00 N ATOM 172 CA ALA A 14 -18.622 -7.468 6.100 1.00 0.00 C ATOM 173 C ALA A 14 -18.289 -5.979 6.085 1.00 0.00 C ATOM 174 O ALA A 14 -18.830 -5.204 6.873 1.00 0.00 O ATOM 175 CB ALA A 14 -18.134 -8.118 4.803 1.00 0.00 C ATOM 0 H ALA A 14 -20.318 -8.503 6.778 1.00 0.00 H new ATOM 0 HA ALA A 14 -18.119 -7.932 6.948 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -17.060 -7.962 4.700 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -18.345 -9.187 4.830 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -18.649 -7.668 3.954 1.00 0.00 H new ATOM 181 N ASP A 15 -17.392 -5.587 5.186 1.00 0.00 N ATOM 182 CA ASP A 15 -16.992 -4.188 5.078 1.00 0.00 C ATOM 183 C ASP A 15 -18.132 -3.345 4.511 1.00 0.00 C ATOM 184 O ASP A 15 -19.266 -3.810 4.403 1.00 0.00 O ATOM 185 CB ASP A 15 -15.764 -4.065 4.174 1.00 0.00 C ATOM 186 CG ASP A 15 -14.995 -2.794 4.513 1.00 0.00 C ATOM 187 OD1 ASP A 15 -15.377 -2.129 5.463 1.00 0.00 O ATOM 188 OD2 ASP A 15 -14.034 -2.503 3.820 1.00 0.00 O ATOM 0 H ASP A 15 -16.931 -6.213 4.526 1.00 0.00 H new ATOM 0 HA ASP A 15 -16.747 -3.822 6.075 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -15.120 -4.935 4.301 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -16.072 -4.046 3.129 1.00 0.00 H new ATOM 193 N GLY A 16 -17.822 -2.102 4.150 1.00 0.00 N ATOM 194 CA GLY A 16 -18.829 -1.204 3.596 1.00 0.00 C ATOM 195 C GLY A 16 -18.868 0.113 4.365 1.00 0.00 C ATOM 196 O GLY A 16 -19.324 0.161 5.507 1.00 0.00 O ATOM 0 H GLY A 16 -16.889 -1.697 4.231 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -18.610 -1.010 2.546 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -19.808 -1.681 3.635 1.00 0.00 H new ATOM 200 N HIS A 17 -18.384 1.178 3.733 1.00 0.00 N ATOM 201 CA HIS A 17 -18.368 2.490 4.373 1.00 0.00 C ATOM 202 C HIS A 17 -19.259 3.471 3.616 1.00 0.00 C ATOM 203 O HIS A 17 -19.795 3.147 2.556 1.00 0.00 O ATOM 204 CB HIS A 17 -16.938 3.028 4.424 1.00 0.00 C ATOM 205 CG HIS A 17 -16.202 2.381 5.564 1.00 0.00 C ATOM 206 ND1 HIS A 17 -15.294 1.352 5.370 1.00 0.00 N ATOM 207 CD2 HIS A 17 -16.233 2.603 6.920 1.00 0.00 C ATOM 208 CE1 HIS A 17 -14.821 0.996 6.578 1.00 0.00 C ATOM 209 NE2 HIS A 17 -15.360 1.727 7.557 1.00 0.00 N ATOM 0 H HIS A 17 -18.001 1.160 2.788 1.00 0.00 H new ATOM 0 HA HIS A 17 -18.752 2.382 5.388 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -16.427 2.823 3.483 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -16.949 4.110 4.551 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -16.842 3.344 7.415 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -14.093 0.214 6.737 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -15.172 1.658 8.557 1.00 0.00 H new ATOM 217 N GLY A 18 -19.412 4.671 4.168 1.00 0.00 N ATOM 218 CA GLY A 18 -20.240 5.693 3.539 1.00 0.00 C ATOM 219 C GLY A 18 -19.484 7.010 3.410 1.00 0.00 C ATOM 220 O GLY A 18 -19.072 7.601 4.409 1.00 0.00 O ATOM 0 H GLY A 18 -18.976 4.958 5.044 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -20.555 5.353 2.553 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -21.144 5.846 4.128 1.00 0.00 H new ATOM 224 N SER A 19 -19.307 7.467 2.175 1.00 0.00 N ATOM 225 CA SER A 19 -18.600 8.717 1.927 1.00 0.00 C ATOM 226 C SER A 19 -19.583 9.830 1.573 1.00 0.00 C ATOM 227 O SER A 19 -20.354 10.283 2.419 1.00 0.00 O ATOM 228 CB SER A 19 -17.602 8.533 0.782 1.00 0.00 C ATOM 229 OG SER A 19 -18.286 8.035 -0.361 1.00 0.00 O ATOM 0 H SER A 19 -19.641 6.994 1.335 1.00 0.00 H new ATOM 0 HA SER A 19 -18.066 8.996 2.835 1.00 0.00 H new ATOM 0 HB2 SER A 19 -17.121 9.483 0.547 1.00 0.00 H new ATOM 0 HB3 SER A 19 -16.814 7.841 1.079 1.00 0.00 H new ATOM 0 HG SER A 19 -17.908 8.439 -1.170 1.00 0.00 H new ATOM 235 N SER A 20 -19.545 10.268 0.319 1.00 0.00 N ATOM 236 CA SER A 20 -20.435 11.332 -0.134 1.00 0.00 C ATOM 237 C SER A 20 -19.958 12.683 0.388 1.00 0.00 C ATOM 238 O SER A 20 -20.502 13.728 0.029 1.00 0.00 O ATOM 239 CB SER A 20 -21.861 11.067 0.349 1.00 0.00 C ATOM 240 OG SER A 20 -22.778 11.411 -0.680 1.00 0.00 O ATOM 0 H SER A 20 -18.914 9.907 -0.396 1.00 0.00 H new ATOM 0 HA SER A 20 -20.424 11.351 -1.224 1.00 0.00 H new ATOM 0 HB2 SER A 20 -21.976 10.017 0.618 1.00 0.00 H new ATOM 0 HB3 SER A 20 -22.068 11.651 1.246 1.00 0.00 H new ATOM 0 HG SER A 20 -23.575 10.844 -0.611 1.00 0.00 H new ATOM 246 N CYS A 21 -18.935 12.652 1.234 1.00 0.00 N ATOM 247 CA CYS A 21 -18.383 13.877 1.800 1.00 0.00 C ATOM 248 C CYS A 21 -17.158 14.320 1.005 1.00 0.00 C ATOM 249 O CYS A 21 -16.247 13.530 0.757 1.00 0.00 O ATOM 250 CB CYS A 21 -18.003 13.648 3.263 1.00 0.00 C ATOM 251 SG CYS A 21 -19.496 13.306 4.228 1.00 0.00 S ATOM 0 H CYS A 21 -18.473 11.796 1.542 1.00 0.00 H new ATOM 0 HA CYS A 21 -19.137 14.662 1.746 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -17.307 12.813 3.343 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -17.494 14.527 3.659 1.00 0.00 H new ATOM 0 HG CYS A 21 -20.058 12.220 3.787 1.00 0.00 H new ATOM 257 N GLN A 22 -17.152 15.584 0.591 1.00 0.00 N ATOM 258 CA GLN A 22 -16.046 16.120 -0.196 1.00 0.00 C ATOM 259 C GLN A 22 -14.865 16.529 0.685 1.00 0.00 C ATOM 260 O GLN A 22 -13.719 16.522 0.234 1.00 0.00 O ATOM 261 CB GLN A 22 -16.522 17.332 -0.996 1.00 0.00 C ATOM 262 CG GLN A 22 -15.326 17.985 -1.690 1.00 0.00 C ATOM 263 CD GLN A 22 -15.782 18.705 -2.953 1.00 0.00 C ATOM 264 OE1 GLN A 22 -16.364 19.788 -2.876 1.00 0.00 O ATOM 265 NE2 GLN A 22 -15.552 18.167 -4.119 1.00 0.00 N ATOM 0 H GLN A 22 -17.897 16.253 0.786 1.00 0.00 H new ATOM 0 HA GLN A 22 -15.708 15.332 -0.869 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -17.262 17.026 -1.735 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -17.009 18.049 -0.335 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -14.844 18.691 -1.014 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -14.584 17.228 -1.942 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -15.070 17.270 -4.181 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -15.854 18.643 -4.969 1.00 0.00 H new ATOM 274 N MET A 23 -15.141 16.903 1.931 1.00 0.00 N ATOM 275 CA MET A 23 -14.073 17.326 2.835 1.00 0.00 C ATOM 276 C MET A 23 -13.026 16.231 2.991 1.00 0.00 C ATOM 277 O MET A 23 -11.875 16.500 3.340 1.00 0.00 O ATOM 278 CB MET A 23 -14.648 17.688 4.206 1.00 0.00 C ATOM 279 CG MET A 23 -15.989 16.982 4.402 1.00 0.00 C ATOM 280 SD MET A 23 -17.322 18.038 3.781 1.00 0.00 S ATOM 281 CE MET A 23 -17.559 19.015 5.284 1.00 0.00 C ATOM 0 H MET A 23 -16.078 16.923 2.334 1.00 0.00 H new ATOM 0 HA MET A 23 -13.596 18.205 2.402 1.00 0.00 H new ATOM 0 HB2 MET A 23 -13.953 17.394 4.992 1.00 0.00 H new ATOM 0 HB3 MET A 23 -14.779 18.767 4.283 1.00 0.00 H new ATOM 0 HG2 MET A 23 -15.991 16.028 3.875 1.00 0.00 H new ATOM 0 HG3 MET A 23 -16.146 16.763 5.458 1.00 0.00 H new ATOM 0 HE1 MET A 23 -18.352 19.745 5.122 1.00 0.00 H new ATOM 0 HE2 MET A 23 -17.835 18.356 6.107 1.00 0.00 H new ATOM 0 HE3 MET A 23 -16.633 19.534 5.530 1.00 0.00 H new ATOM 291 N LEU A 24 -13.433 14.999 2.732 1.00 0.00 N ATOM 292 CA LEU A 24 -12.523 13.862 2.848 1.00 0.00 C ATOM 293 C LEU A 24 -11.461 13.903 1.760 1.00 0.00 C ATOM 294 O LEU A 24 -10.268 14.025 2.036 1.00 0.00 O ATOM 295 CB LEU A 24 -13.307 12.551 2.746 1.00 0.00 C ATOM 296 CG LEU A 24 -14.660 12.703 3.438 1.00 0.00 C ATOM 297 CD1 LEU A 24 -15.349 11.338 3.514 1.00 0.00 C ATOM 298 CD2 LEU A 24 -14.453 13.246 4.854 1.00 0.00 C ATOM 0 H LEU A 24 -14.380 14.757 2.442 1.00 0.00 H new ATOM 0 HA LEU A 24 -12.031 13.920 3.819 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -13.451 12.283 1.699 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -12.741 11.741 3.207 1.00 0.00 H new ATOM 0 HG LEU A 24 -15.281 13.396 2.870 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -16.315 11.445 4.008 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -15.497 10.949 2.507 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -14.726 10.647 4.082 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -15.419 13.354 5.347 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -13.831 12.554 5.422 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -13.961 14.217 4.803 1.00 0.00 H new ATOM 310 N LEU A 25 -11.911 13.798 0.525 1.00 0.00 N ATOM 311 CA LEU A 25 -11.002 13.820 -0.616 1.00 0.00 C ATOM 312 C LEU A 25 -10.314 15.175 -0.722 1.00 0.00 C ATOM 313 O LEU A 25 -9.157 15.261 -1.132 1.00 0.00 O ATOM 314 CB LEU A 25 -11.766 13.529 -1.911 1.00 0.00 C ATOM 315 CG LEU A 25 -13.211 14.009 -1.779 1.00 0.00 C ATOM 316 CD1 LEU A 25 -13.662 14.638 -3.098 1.00 0.00 C ATOM 317 CD2 LEU A 25 -14.117 12.820 -1.446 1.00 0.00 C ATOM 0 H LEU A 25 -12.896 13.697 0.281 1.00 0.00 H new ATOM 0 HA LEU A 25 -10.247 13.049 -0.466 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -11.282 14.030 -2.750 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -11.746 12.460 -2.123 1.00 0.00 H new ATOM 0 HG LEU A 25 -13.275 14.749 -0.982 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -14.693 14.980 -3.004 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -13.018 15.485 -3.336 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -13.597 13.898 -3.895 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -15.147 13.163 -1.352 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -14.052 12.079 -2.243 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -13.797 12.371 -0.506 1.00 0.00 H new ATOM 329 N ASN A 26 -11.029 16.230 -0.346 1.00 0.00 N ATOM 330 CA ASN A 26 -10.468 17.571 -0.402 1.00 0.00 C ATOM 331 C ASN A 26 -9.272 17.678 0.527 1.00 0.00 C ATOM 332 O ASN A 26 -8.167 18.009 0.103 1.00 0.00 O ATOM 333 CB ASN A 26 -11.527 18.603 -0.010 1.00 0.00 C ATOM 334 CG ASN A 26 -10.876 19.963 0.205 1.00 0.00 C ATOM 335 OD1 ASN A 26 -10.546 20.655 -0.759 1.00 0.00 O ATOM 336 ND2 ASN A 26 -10.672 20.392 1.419 1.00 0.00 N ATOM 0 H ASN A 26 -11.988 16.182 -0.003 1.00 0.00 H new ATOM 0 HA ASN A 26 -10.141 17.770 -1.423 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -12.285 18.673 -0.790 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -12.036 18.286 0.901 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -10.238 21.302 1.572 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -10.946 19.817 2.216 1.00 0.00 H new ATOM 343 N GLN A 27 -9.506 17.381 1.791 1.00 0.00 N ATOM 344 CA GLN A 27 -8.442 17.430 2.788 1.00 0.00 C ATOM 345 C GLN A 27 -7.281 16.540 2.356 1.00 0.00 C ATOM 346 O GLN A 27 -6.157 17.010 2.168 1.00 0.00 O ATOM 347 CB GLN A 27 -8.974 16.960 4.143 1.00 0.00 C ATOM 348 CG GLN A 27 -9.547 18.150 4.913 1.00 0.00 C ATOM 349 CD GLN A 27 -8.452 19.173 5.192 1.00 0.00 C ATOM 350 OE1 GLN A 27 -7.265 18.857 5.096 1.00 0.00 O ATOM 351 NE2 GLN A 27 -8.782 20.389 5.534 1.00 0.00 N ATOM 0 H GLN A 27 -10.418 17.104 2.155 1.00 0.00 H new ATOM 0 HA GLN A 27 -8.091 18.458 2.878 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -9.745 16.203 3.999 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -8.173 16.495 4.717 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -10.349 18.613 4.338 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -9.984 17.809 5.852 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -9.766 20.648 5.613 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -8.056 21.080 5.723 1.00 0.00 H new ATOM 360 N LEU A 28 -7.565 15.252 2.189 1.00 0.00 N ATOM 361 CA LEU A 28 -6.543 14.306 1.764 1.00 0.00 C ATOM 362 C LEU A 28 -5.762 14.883 0.587 1.00 0.00 C ATOM 363 O LEU A 28 -4.532 14.933 0.604 1.00 0.00 O ATOM 364 CB LEU A 28 -7.204 12.992 1.346 1.00 0.00 C ATOM 365 CG LEU A 28 -6.178 11.862 1.399 1.00 0.00 C ATOM 366 CD1 LEU A 28 -5.944 11.457 2.855 1.00 0.00 C ATOM 367 CD2 LEU A 28 -6.701 10.657 0.610 1.00 0.00 C ATOM 0 H LEU A 28 -8.487 14.843 2.340 1.00 0.00 H new ATOM 0 HA LEU A 28 -5.859 14.121 2.592 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.041 12.768 2.007 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.609 13.082 0.338 1.00 0.00 H new ATOM 0 HG LEU A 28 -5.240 12.202 0.960 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.212 10.650 2.895 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.571 12.314 3.416 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.882 11.117 3.294 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.968 9.851 0.648 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.639 10.315 1.047 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.868 10.946 -0.428 1.00 0.00 H new ATOM 379 N ARG A 29 -6.496 15.322 -0.427 1.00 0.00 N ATOM 380 CA ARG A 29 -5.886 15.905 -1.619 1.00 0.00 C ATOM 381 C ARG A 29 -5.141 17.191 -1.267 1.00 0.00 C ATOM 382 O ARG A 29 -4.261 17.632 -2.004 1.00 0.00 O ATOM 383 CB ARG A 29 -6.974 16.203 -2.657 1.00 0.00 C ATOM 384 CG ARG A 29 -6.418 17.117 -3.754 1.00 0.00 C ATOM 385 CD ARG A 29 -7.513 17.392 -4.789 1.00 0.00 C ATOM 386 NE ARG A 29 -7.077 18.425 -5.723 1.00 0.00 N ATOM 387 CZ ARG A 29 -7.936 19.308 -6.225 1.00 0.00 C ATOM 388 NH1 ARG A 29 -9.196 19.262 -5.886 1.00 0.00 N ATOM 389 NH2 ARG A 29 -7.518 20.223 -7.055 1.00 0.00 N ATOM 0 H ARG A 29 -7.515 15.286 -0.450 1.00 0.00 H new ATOM 0 HA ARG A 29 -5.171 15.193 -2.032 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -7.334 15.272 -3.096 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -7.828 16.679 -2.174 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -6.069 18.054 -3.320 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.559 16.648 -4.233 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -7.748 16.477 -5.332 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -8.427 17.708 -4.287 1.00 0.00 H new ATOM 0 HE ARG A 29 -6.095 18.471 -5.996 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -9.523 18.548 -5.235 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -9.853 19.940 -6.272 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -6.533 20.261 -7.319 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -8.176 20.901 -7.441 1.00 0.00 H new ATOM 403 N GLU A 30 -5.509 17.792 -0.141 1.00 0.00 N ATOM 404 CA GLU A 30 -4.877 19.034 0.298 1.00 0.00 C ATOM 405 C GLU A 30 -3.596 18.740 1.067 1.00 0.00 C ATOM 406 O GLU A 30 -2.720 19.597 1.189 1.00 0.00 O ATOM 407 CB GLU A 30 -5.838 19.820 1.196 1.00 0.00 C ATOM 408 CG GLU A 30 -5.910 21.275 0.729 1.00 0.00 C ATOM 409 CD GLU A 30 -6.894 22.050 1.602 1.00 0.00 C ATOM 410 OE1 GLU A 30 -6.760 21.985 2.812 1.00 0.00 O ATOM 411 OE2 GLU A 30 -7.767 22.696 1.046 1.00 0.00 O ATOM 0 H GLU A 30 -6.237 17.443 0.482 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.633 19.626 -0.584 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.830 19.369 1.165 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -5.500 19.777 2.231 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.922 21.733 0.783 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -6.224 21.317 -0.314 1.00 0.00 H new ATOM 418 N ILE A 31 -3.502 17.527 1.594 1.00 0.00 N ATOM 419 CA ILE A 31 -2.333 17.125 2.365 1.00 0.00 C ATOM 420 C ILE A 31 -1.318 16.413 1.495 1.00 0.00 C ATOM 421 O ILE A 31 -0.128 16.727 1.507 1.00 0.00 O ATOM 422 CB ILE A 31 -2.763 16.187 3.485 1.00 0.00 C ATOM 423 CG1 ILE A 31 -3.845 16.868 4.317 1.00 0.00 C ATOM 424 CG2 ILE A 31 -1.558 15.856 4.364 1.00 0.00 C ATOM 425 CD1 ILE A 31 -4.585 15.824 5.156 1.00 0.00 C ATOM 0 H ILE A 31 -4.218 16.806 1.503 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.873 18.024 2.774 1.00 0.00 H new ATOM 0 HB ILE A 31 -3.158 15.263 3.064 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.398 17.620 4.967 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -4.546 17.387 3.664 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.866 15.185 5.166 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.789 15.373 3.761 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.158 16.774 4.794 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -5.357 16.314 5.749 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -5.046 15.088 4.497 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.880 15.325 5.820 1.00 0.00 H new ATOM 437 N THR A 32 -1.805 15.435 0.765 1.00 0.00 N ATOM 438 CA THR A 32 -0.957 14.636 -0.102 1.00 0.00 C ATOM 439 C THR A 32 -0.775 15.295 -1.461 1.00 0.00 C ATOM 440 O THR A 32 0.307 15.242 -2.045 1.00 0.00 O ATOM 441 CB THR A 32 -1.603 13.274 -0.294 1.00 0.00 C ATOM 442 OG1 THR A 32 -2.589 13.377 -1.310 1.00 0.00 O ATOM 443 CG2 THR A 32 -2.264 12.835 1.009 1.00 0.00 C ATOM 0 H THR A 32 -2.790 15.170 0.752 1.00 0.00 H new ATOM 0 HA THR A 32 0.024 14.540 0.364 1.00 0.00 H new ATOM 0 HB THR A 32 -0.847 12.542 -0.579 1.00 0.00 H new ATOM 0 HG1 THR A 32 -3.363 13.869 -0.966 1.00 0.00 H new ATOM 0 HG21 THR A 32 -2.727 11.858 0.871 1.00 0.00 H new ATOM 0 HG22 THR A 32 -1.512 12.772 1.795 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.026 13.561 1.293 1.00 0.00 H new ATOM 451 N GLY A 33 -1.836 15.913 -1.966 1.00 0.00 N ATOM 452 CA GLY A 33 -1.761 16.569 -3.265 1.00 0.00 C ATOM 453 C GLY A 33 -1.951 15.562 -4.391 1.00 0.00 C ATOM 454 O GLY A 33 -1.317 15.658 -5.440 1.00 0.00 O ATOM 0 H GLY A 33 -2.744 15.974 -1.505 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.525 17.344 -3.331 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -0.796 17.064 -3.372 1.00 0.00 H new ATOM 458 N ILE A 34 -2.820 14.587 -4.155 1.00 0.00 N ATOM 459 CA ILE A 34 -3.085 13.553 -5.146 1.00 0.00 C ATOM 460 C ILE A 34 -4.345 13.889 -5.940 1.00 0.00 C ATOM 461 O ILE A 34 -5.306 14.435 -5.395 1.00 0.00 O ATOM 462 CB ILE A 34 -3.257 12.204 -4.447 1.00 0.00 C ATOM 463 CG1 ILE A 34 -2.110 12.003 -3.437 1.00 0.00 C ATOM 464 CG2 ILE A 34 -3.274 11.086 -5.492 1.00 0.00 C ATOM 465 CD1 ILE A 34 -1.064 11.019 -3.954 1.00 0.00 C ATOM 0 H ILE A 34 -3.351 14.491 -3.289 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.242 13.500 -5.835 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.202 12.180 -3.905 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.636 12.962 -3.230 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.516 11.639 -2.493 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.397 10.124 -4.994 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.103 11.246 -6.182 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.335 11.091 -6.045 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.273 10.906 -3.212 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.533 10.052 -4.135 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.638 11.396 -4.884 1.00 0.00 H new ATOM 477 N GLN A 35 -4.334 13.567 -7.230 1.00 0.00 N ATOM 478 CA GLN A 35 -5.480 13.846 -8.090 1.00 0.00 C ATOM 479 C GLN A 35 -6.112 12.549 -8.592 1.00 0.00 C ATOM 480 O GLN A 35 -6.782 12.534 -9.625 1.00 0.00 O ATOM 481 CB GLN A 35 -5.043 14.704 -9.280 1.00 0.00 C ATOM 482 CG GLN A 35 -3.888 15.615 -8.855 1.00 0.00 C ATOM 483 CD GLN A 35 -3.487 16.528 -10.009 1.00 0.00 C ATOM 484 OE1 GLN A 35 -3.931 17.675 -10.077 1.00 0.00 O ATOM 485 NE2 GLN A 35 -2.666 16.090 -10.924 1.00 0.00 N ATOM 0 H GLN A 35 -3.550 13.116 -7.701 1.00 0.00 H new ATOM 0 HA GLN A 35 -6.223 14.389 -7.505 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -4.732 14.066 -10.107 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -5.881 15.303 -9.637 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -4.185 16.214 -7.994 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -3.035 15.012 -8.545 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -2.299 15.140 -10.867 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -2.392 16.698 -11.696 1.00 0.00 H new ATOM 494 N ASP A 36 -5.894 11.463 -7.855 1.00 0.00 N ATOM 495 CA ASP A 36 -6.448 10.168 -8.234 1.00 0.00 C ATOM 496 C ASP A 36 -7.484 9.713 -7.208 1.00 0.00 C ATOM 497 O ASP A 36 -7.227 8.808 -6.414 1.00 0.00 O ATOM 498 CB ASP A 36 -5.328 9.129 -8.323 1.00 0.00 C ATOM 499 CG ASP A 36 -4.997 8.842 -9.785 1.00 0.00 C ATOM 500 OD1 ASP A 36 -4.803 9.790 -10.526 1.00 0.00 O ATOM 501 OD2 ASP A 36 -4.943 7.675 -10.140 1.00 0.00 O ATOM 0 H ASP A 36 -5.341 11.454 -6.998 1.00 0.00 H new ATOM 0 HA ASP A 36 -6.931 10.267 -9.206 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -4.441 9.494 -7.806 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -5.633 8.210 -7.823 1.00 0.00 H new ATOM 506 N PRO A 37 -8.639 10.326 -7.207 1.00 0.00 N ATOM 507 CA PRO A 37 -9.732 9.990 -6.256 1.00 0.00 C ATOM 508 C PRO A 37 -9.786 8.507 -5.933 1.00 0.00 C ATOM 509 O PRO A 37 -10.285 8.099 -4.886 1.00 0.00 O ATOM 510 CB PRO A 37 -10.973 10.435 -7.009 1.00 0.00 C ATOM 511 CG PRO A 37 -10.531 11.612 -7.817 1.00 0.00 C ATOM 512 CD PRO A 37 -9.042 11.408 -8.121 1.00 0.00 C ATOM 0 HA PRO A 37 -9.608 10.471 -5.286 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -11.355 9.638 -7.648 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -11.776 10.706 -6.323 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -11.107 11.686 -8.739 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -10.690 12.540 -7.267 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -8.881 11.131 -9.163 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -8.469 12.318 -7.941 1.00 0.00 H new ATOM 520 N SER A 38 -9.263 7.715 -6.844 1.00 0.00 N ATOM 521 CA SER A 38 -9.238 6.268 -6.671 1.00 0.00 C ATOM 522 C SER A 38 -8.232 5.868 -5.594 1.00 0.00 C ATOM 523 O SER A 38 -8.567 5.143 -4.651 1.00 0.00 O ATOM 524 CB SER A 38 -8.865 5.593 -7.992 1.00 0.00 C ATOM 525 OG SER A 38 -9.702 4.463 -8.196 1.00 0.00 O ATOM 0 H SER A 38 -8.847 8.044 -7.715 1.00 0.00 H new ATOM 0 HA SER A 38 -10.231 5.943 -6.360 1.00 0.00 H new ATOM 0 HB2 SER A 38 -8.977 6.296 -8.817 1.00 0.00 H new ATOM 0 HB3 SER A 38 -7.819 5.287 -7.974 1.00 0.00 H new ATOM 0 HG SER A 38 -9.466 4.030 -9.043 1.00 0.00 H new ATOM 531 N PHE A 39 -6.998 6.347 -5.728 1.00 0.00 N ATOM 532 CA PHE A 39 -5.971 6.024 -4.760 1.00 0.00 C ATOM 533 C PHE A 39 -6.262 6.752 -3.447 1.00 0.00 C ATOM 534 O PHE A 39 -5.927 6.270 -2.356 1.00 0.00 O ATOM 535 CB PHE A 39 -4.605 6.397 -5.360 1.00 0.00 C ATOM 536 CG PHE A 39 -3.747 7.118 -4.365 1.00 0.00 C ATOM 537 CD1 PHE A 39 -4.162 8.340 -3.848 1.00 0.00 C ATOM 538 CD2 PHE A 39 -2.523 6.567 -3.973 1.00 0.00 C ATOM 539 CE1 PHE A 39 -3.362 9.017 -2.941 1.00 0.00 C ATOM 540 CE2 PHE A 39 -1.720 7.249 -3.061 1.00 0.00 C ATOM 541 CZ PHE A 39 -2.145 8.478 -2.550 1.00 0.00 C ATOM 0 H PHE A 39 -6.694 6.953 -6.490 1.00 0.00 H new ATOM 0 HA PHE A 39 -5.958 4.958 -4.533 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -4.095 5.494 -5.695 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -4.752 7.025 -6.239 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -5.108 8.762 -4.153 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -2.202 5.618 -4.375 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -3.686 9.965 -2.538 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -0.774 6.830 -2.751 1.00 0.00 H new ATOM 0 HZ PHE A 39 -1.523 9.011 -1.847 1.00 0.00 H new ATOM 551 N LEU A 40 -6.930 7.902 -3.558 1.00 0.00 N ATOM 552 CA LEU A 40 -7.298 8.672 -2.380 1.00 0.00 C ATOM 553 C LEU A 40 -8.384 7.921 -1.630 1.00 0.00 C ATOM 554 O LEU A 40 -8.294 7.711 -0.421 1.00 0.00 O ATOM 555 CB LEU A 40 -7.805 10.063 -2.779 1.00 0.00 C ATOM 556 CG LEU A 40 -6.622 10.946 -3.201 1.00 0.00 C ATOM 557 CD1 LEU A 40 -6.636 11.171 -4.717 1.00 0.00 C ATOM 558 CD2 LEU A 40 -6.707 12.298 -2.489 1.00 0.00 C ATOM 0 H LEU A 40 -7.222 8.313 -4.445 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.422 8.801 -1.744 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.518 9.979 -3.599 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.333 10.521 -1.943 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.696 10.441 -2.925 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.791 11.799 -4.999 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.562 10.211 -5.228 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.565 11.663 -5.003 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.866 12.922 -2.791 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.640 12.793 -2.758 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.675 12.144 -1.410 1.00 0.00 H new ATOM 570 N HIS A 41 -9.398 7.490 -2.373 1.00 0.00 N ATOM 571 CA HIS A 41 -10.486 6.728 -1.785 1.00 0.00 C ATOM 572 C HIS A 41 -9.937 5.429 -1.215 1.00 0.00 C ATOM 573 O HIS A 41 -10.484 4.877 -0.260 1.00 0.00 O ATOM 574 CB HIS A 41 -11.547 6.419 -2.846 1.00 0.00 C ATOM 575 CG HIS A 41 -12.815 5.966 -2.174 1.00 0.00 C ATOM 576 ND1 HIS A 41 -13.297 4.672 -2.298 1.00 0.00 N ATOM 577 CD2 HIS A 41 -13.715 6.625 -1.374 1.00 0.00 C ATOM 578 CE1 HIS A 41 -14.439 4.593 -1.590 1.00 0.00 C ATOM 579 NE2 HIS A 41 -14.740 5.756 -1.006 1.00 0.00 N ATOM 0 H HIS A 41 -9.486 7.655 -3.376 1.00 0.00 H new ATOM 0 HA HIS A 41 -10.946 7.313 -0.989 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -11.740 7.305 -3.451 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -11.185 5.645 -3.522 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -13.640 7.660 -1.075 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -15.039 3.699 -1.505 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -15.547 5.963 -0.417 1.00 0.00 H new ATOM 587 N GLU A 42 -8.832 4.956 -1.796 1.00 0.00 N ATOM 588 CA GLU A 42 -8.212 3.731 -1.316 1.00 0.00 C ATOM 589 C GLU A 42 -7.697 3.955 0.094 1.00 0.00 C ATOM 590 O GLU A 42 -7.950 3.158 0.998 1.00 0.00 O ATOM 591 CB GLU A 42 -7.058 3.322 -2.233 1.00 0.00 C ATOM 592 CG GLU A 42 -6.573 1.926 -1.839 1.00 0.00 C ATOM 593 CD GLU A 42 -6.280 1.102 -3.087 1.00 0.00 C ATOM 594 OE1 GLU A 42 -7.179 0.950 -3.898 1.00 0.00 O ATOM 595 OE2 GLU A 42 -5.161 0.633 -3.214 1.00 0.00 O ATOM 0 H GLU A 42 -8.359 5.397 -2.585 1.00 0.00 H new ATOM 0 HA GLU A 42 -8.952 2.930 -1.315 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -7.385 3.326 -3.273 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.242 4.040 -2.152 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.675 2.004 -1.226 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.330 1.427 -1.234 1.00 0.00 H new ATOM 602 N ALA A 43 -6.981 5.057 0.275 1.00 0.00 N ATOM 603 CA ALA A 43 -6.441 5.394 1.586 1.00 0.00 C ATOM 604 C ALA A 43 -7.562 5.608 2.599 1.00 0.00 C ATOM 605 O ALA A 43 -7.512 5.086 3.714 1.00 0.00 O ATOM 606 CB ALA A 43 -5.616 6.670 1.489 1.00 0.00 C ATOM 0 H ALA A 43 -6.762 5.727 -0.462 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.816 4.565 1.918 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.214 6.919 2.471 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.795 6.520 0.788 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.248 7.486 1.138 1.00 0.00 H new ATOM 612 N LEU A 44 -8.566 6.387 2.209 1.00 0.00 N ATOM 613 CA LEU A 44 -9.688 6.674 3.098 1.00 0.00 C ATOM 614 C LEU A 44 -10.326 5.376 3.575 1.00 0.00 C ATOM 615 O LEU A 44 -10.669 5.232 4.748 1.00 0.00 O ATOM 616 CB LEU A 44 -10.738 7.522 2.367 1.00 0.00 C ATOM 617 CG LEU A 44 -10.432 9.016 2.537 1.00 0.00 C ATOM 618 CD1 LEU A 44 -10.406 9.379 4.023 1.00 0.00 C ATOM 619 CD2 LEU A 44 -9.073 9.336 1.910 1.00 0.00 C ATOM 0 H LEU A 44 -8.627 6.828 1.291 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.315 7.228 3.959 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -10.749 7.265 1.308 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -11.731 7.301 2.759 1.00 0.00 H new ATOM 0 HG LEU A 44 -11.209 9.597 2.040 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -10.188 10.441 4.134 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -11.376 9.159 4.468 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -9.635 8.796 4.527 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -8.857 10.397 2.032 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -8.298 8.749 2.403 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -9.095 9.089 0.848 1.00 0.00 H new ATOM 631 N LYS A 45 -10.483 4.437 2.652 1.00 0.00 N ATOM 632 CA LYS A 45 -11.083 3.149 2.972 1.00 0.00 C ATOM 633 C LYS A 45 -10.104 2.275 3.758 1.00 0.00 C ATOM 634 O LYS A 45 -10.515 1.411 4.532 1.00 0.00 O ATOM 635 CB LYS A 45 -11.505 2.456 1.668 1.00 0.00 C ATOM 636 CG LYS A 45 -11.385 0.933 1.793 1.00 0.00 C ATOM 637 CD LYS A 45 -9.973 0.495 1.389 1.00 0.00 C ATOM 638 CE LYS A 45 -9.674 -0.879 1.991 1.00 0.00 C ATOM 639 NZ LYS A 45 -8.259 -1.251 1.702 1.00 0.00 N ATOM 0 H LYS A 45 -10.204 4.543 1.677 1.00 0.00 H new ATOM 0 HA LYS A 45 -11.961 3.305 3.599 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -12.533 2.725 1.425 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -10.881 2.808 0.846 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -11.594 0.624 2.817 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -12.124 0.446 1.157 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -9.890 0.454 0.303 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -9.241 1.224 1.737 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -9.844 -0.861 3.068 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -10.350 -1.626 1.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -8.055 -2.185 2.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.112 -1.284 0.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.622 -0.543 2.120 1.00 0.00 H new ATOM 653 N ALA A 46 -8.806 2.499 3.558 1.00 0.00 N ATOM 654 CA ALA A 46 -7.795 1.712 4.255 1.00 0.00 C ATOM 655 C ALA A 46 -7.606 2.205 5.685 1.00 0.00 C ATOM 656 O ALA A 46 -7.156 1.455 6.553 1.00 0.00 O ATOM 657 CB ALA A 46 -6.462 1.800 3.508 1.00 0.00 C ATOM 0 H ALA A 46 -8.435 3.210 2.927 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.134 0.677 4.286 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -5.711 1.210 4.033 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -6.585 1.413 2.497 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.139 2.840 3.461 1.00 0.00 H new ATOM 663 N SER A 47 -7.942 3.468 5.927 1.00 0.00 N ATOM 664 CA SER A 47 -7.793 4.042 7.259 1.00 0.00 C ATOM 665 C SER A 47 -9.107 3.981 8.036 1.00 0.00 C ATOM 666 O SER A 47 -9.275 4.669 9.042 1.00 0.00 O ATOM 667 CB SER A 47 -7.324 5.492 7.148 1.00 0.00 C ATOM 668 OG SER A 47 -5.918 5.543 7.356 1.00 0.00 O ATOM 0 H SER A 47 -8.316 4.108 5.226 1.00 0.00 H new ATOM 0 HA SER A 47 -7.050 3.457 7.801 1.00 0.00 H new ATOM 0 HB2 SER A 47 -7.574 5.894 6.166 1.00 0.00 H new ATOM 0 HB3 SER A 47 -7.836 6.110 7.885 1.00 0.00 H new ATOM 0 HG SER A 47 -5.546 4.638 7.301 1.00 0.00 H new ATOM 674 N ASN A 48 -10.029 3.146 7.569 1.00 0.00 N ATOM 675 CA ASN A 48 -11.321 2.993 8.233 1.00 0.00 C ATOM 676 C ASN A 48 -12.100 4.306 8.234 1.00 0.00 C ATOM 677 O ASN A 48 -12.993 4.507 9.057 1.00 0.00 O ATOM 678 CB ASN A 48 -11.111 2.523 9.675 1.00 0.00 C ATOM 679 CG ASN A 48 -11.611 1.090 9.835 1.00 0.00 C ATOM 680 OD1 ASN A 48 -12.792 0.816 9.620 1.00 0.00 O ATOM 681 ND2 ASN A 48 -10.778 0.156 10.200 1.00 0.00 N ATOM 0 H ASN A 48 -9.908 2.567 6.738 1.00 0.00 H new ATOM 0 HA ASN A 48 -11.898 2.250 7.682 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -10.054 2.579 9.934 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -11.643 3.181 10.362 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -11.104 -0.804 10.308 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -9.800 0.386 10.377 1.00 0.00 H new ATOM 688 N GLY A 49 -11.761 5.194 7.305 1.00 0.00 N ATOM 689 CA GLY A 49 -12.443 6.482 7.210 1.00 0.00 C ATOM 690 C GLY A 49 -11.591 7.602 7.799 1.00 0.00 C ATOM 691 O GLY A 49 -11.757 8.768 7.444 1.00 0.00 O ATOM 0 H GLY A 49 -11.026 5.049 6.613 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -12.666 6.702 6.166 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -13.396 6.431 7.736 1.00 0.00 H new ATOM 695 N ASP A 50 -10.676 7.244 8.692 1.00 0.00 N ATOM 696 CA ASP A 50 -9.804 8.238 9.305 1.00 0.00 C ATOM 697 C ASP A 50 -8.934 8.894 8.240 1.00 0.00 C ATOM 698 O ASP A 50 -8.229 8.212 7.497 1.00 0.00 O ATOM 699 CB ASP A 50 -8.920 7.579 10.365 1.00 0.00 C ATOM 700 CG ASP A 50 -8.233 8.649 11.207 1.00 0.00 C ATOM 701 OD1 ASP A 50 -7.351 9.311 10.685 1.00 0.00 O ATOM 702 OD2 ASP A 50 -8.599 8.791 12.362 1.00 0.00 O ATOM 0 H ASP A 50 -10.520 6.286 9.005 1.00 0.00 H new ATOM 0 HA ASP A 50 -10.420 9.001 9.782 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -9.523 6.933 11.003 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -8.173 6.946 9.886 1.00 0.00 H new ATOM 707 N ILE A 51 -9.001 10.217 8.156 1.00 0.00 N ATOM 708 CA ILE A 51 -8.226 10.944 7.158 1.00 0.00 C ATOM 709 C ILE A 51 -6.750 11.003 7.545 1.00 0.00 C ATOM 710 O ILE A 51 -5.886 10.593 6.770 1.00 0.00 O ATOM 711 CB ILE A 51 -8.800 12.359 6.980 1.00 0.00 C ATOM 712 CG1 ILE A 51 -8.591 12.826 5.535 1.00 0.00 C ATOM 713 CG2 ILE A 51 -8.111 13.344 7.930 1.00 0.00 C ATOM 714 CD1 ILE A 51 -9.590 13.936 5.212 1.00 0.00 C ATOM 0 H ILE A 51 -9.577 10.803 8.760 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.297 10.413 6.209 1.00 0.00 H new ATOM 0 HB ILE A 51 -9.865 12.329 7.210 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.572 13.189 5.402 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -8.724 11.990 4.848 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -8.531 14.340 7.789 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -8.269 13.026 8.961 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.042 13.368 7.717 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -9.443 14.270 4.185 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -10.605 13.557 5.329 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -9.435 14.774 5.892 1.00 0.00 H new ATOM 726 N THR A 52 -6.459 11.510 8.737 1.00 0.00 N ATOM 727 CA THR A 52 -5.077 11.604 9.186 1.00 0.00 C ATOM 728 C THR A 52 -4.329 10.322 8.853 1.00 0.00 C ATOM 729 O THR A 52 -3.283 10.345 8.208 1.00 0.00 O ATOM 730 CB THR A 52 -5.013 11.838 10.692 1.00 0.00 C ATOM 731 OG1 THR A 52 -5.485 13.144 10.995 1.00 0.00 O ATOM 732 CG2 THR A 52 -3.562 11.690 11.148 1.00 0.00 C ATOM 0 H THR A 52 -7.151 11.858 9.401 1.00 0.00 H new ATOM 0 HA THR A 52 -4.613 12.446 8.672 1.00 0.00 H new ATOM 0 HB THR A 52 -5.639 11.111 11.209 1.00 0.00 H new ATOM 0 HG1 THR A 52 -5.444 13.290 11.963 1.00 0.00 H new ATOM 0 HG21 THR A 52 -3.500 11.855 12.224 1.00 0.00 H new ATOM 0 HG22 THR A 52 -3.208 10.686 10.914 1.00 0.00 H new ATOM 0 HG23 THR A 52 -2.942 12.423 10.632 1.00 0.00 H new ATOM 740 N GLN A 53 -4.872 9.197 9.295 1.00 0.00 N ATOM 741 CA GLN A 53 -4.239 7.919 9.025 1.00 0.00 C ATOM 742 C GLN A 53 -4.092 7.731 7.522 1.00 0.00 C ATOM 743 O GLN A 53 -2.991 7.507 7.023 1.00 0.00 O ATOM 744 CB GLN A 53 -5.069 6.781 9.613 1.00 0.00 C ATOM 745 CG GLN A 53 -5.058 6.874 11.139 1.00 0.00 C ATOM 746 CD GLN A 53 -5.637 5.599 11.738 1.00 0.00 C ATOM 747 OE1 GLN A 53 -5.191 5.148 12.794 1.00 0.00 O ATOM 748 NE2 GLN A 53 -6.611 4.987 11.125 1.00 0.00 N ATOM 0 H GLN A 53 -5.736 9.144 9.834 1.00 0.00 H new ATOM 0 HA GLN A 53 -3.253 7.906 9.490 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -6.093 6.835 9.243 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -4.665 5.820 9.294 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -4.039 7.024 11.496 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -5.640 7.736 11.464 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -6.979 5.362 10.251 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -7.005 4.133 11.520 1.00 0.00 H new ATOM 757 N ALA A 54 -5.204 7.849 6.800 1.00 0.00 N ATOM 758 CA ALA A 54 -5.171 7.704 5.352 1.00 0.00 C ATOM 759 C ALA A 54 -3.931 8.388 4.817 1.00 0.00 C ATOM 760 O ALA A 54 -3.139 7.800 4.082 1.00 0.00 O ATOM 761 CB ALA A 54 -6.422 8.330 4.730 1.00 0.00 C ATOM 0 H ALA A 54 -6.126 8.042 7.190 1.00 0.00 H new ATOM 0 HA ALA A 54 -5.148 6.645 5.093 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -6.386 8.215 3.647 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -7.310 7.831 5.118 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -6.462 9.390 4.982 1.00 0.00 H new ATOM 767 N VAL A 55 -3.762 9.625 5.227 1.00 0.00 N ATOM 768 CA VAL A 55 -2.601 10.397 4.826 1.00 0.00 C ATOM 769 C VAL A 55 -1.351 9.581 5.087 1.00 0.00 C ATOM 770 O VAL A 55 -0.603 9.236 4.172 1.00 0.00 O ATOM 771 CB VAL A 55 -2.540 11.688 5.642 1.00 0.00 C ATOM 772 CG1 VAL A 55 -1.468 12.611 5.076 1.00 0.00 C ATOM 773 CG2 VAL A 55 -3.900 12.388 5.600 1.00 0.00 C ATOM 0 H VAL A 55 -4.412 10.120 5.838 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.671 10.641 3.766 1.00 0.00 H new ATOM 0 HB VAL A 55 -2.291 11.446 6.675 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -1.431 13.529 5.663 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.499 12.113 5.119 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.706 12.852 4.040 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -3.854 13.308 6.183 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.156 12.625 4.567 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.661 11.730 6.020 1.00 0.00 H new ATOM 783 N SER A 56 -1.160 9.260 6.350 1.00 0.00 N ATOM 784 CA SER A 56 -0.018 8.464 6.770 1.00 0.00 C ATOM 785 C SER A 56 0.220 7.323 5.789 1.00 0.00 C ATOM 786 O SER A 56 1.343 7.101 5.341 1.00 0.00 O ATOM 787 CB SER A 56 -0.270 7.907 8.168 1.00 0.00 C ATOM 788 OG SER A 56 0.974 7.568 8.773 1.00 0.00 O ATOM 0 H SER A 56 -1.782 9.538 7.109 1.00 0.00 H new ATOM 0 HA SER A 56 0.869 9.097 6.789 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.794 8.644 8.776 1.00 0.00 H new ATOM 0 HB3 SER A 56 -0.911 7.027 8.111 1.00 0.00 H new ATOM 0 HG SER A 56 0.814 7.212 9.672 1.00 0.00 H new ATOM 794 N LEU A 57 -0.848 6.608 5.459 1.00 0.00 N ATOM 795 CA LEU A 57 -0.746 5.493 4.525 1.00 0.00 C ATOM 796 C LEU A 57 -0.307 5.973 3.153 1.00 0.00 C ATOM 797 O LEU A 57 0.314 5.234 2.389 1.00 0.00 O ATOM 798 CB LEU A 57 -2.103 4.804 4.386 1.00 0.00 C ATOM 799 CG LEU A 57 -2.405 3.997 5.644 1.00 0.00 C ATOM 800 CD1 LEU A 57 -2.947 4.926 6.725 1.00 0.00 C ATOM 801 CD2 LEU A 57 -3.452 2.929 5.317 1.00 0.00 C ATOM 0 H LEU A 57 -1.787 6.777 5.820 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.006 4.796 4.917 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.883 5.547 4.224 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.101 4.149 3.515 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.493 3.519 6.001 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.163 4.350 7.625 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.205 5.691 6.953 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.861 5.402 6.371 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.672 2.349 6.213 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.364 3.410 4.963 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -3.067 2.267 4.542 1.00 0.00 H new ATOM 813 N LEU A 58 -0.671 7.201 2.834 1.00 0.00 N ATOM 814 CA LEU A 58 -0.347 7.760 1.525 1.00 0.00 C ATOM 815 C LEU A 58 0.998 8.481 1.492 1.00 0.00 C ATOM 816 O LEU A 58 1.489 8.821 0.415 1.00 0.00 O ATOM 817 CB LEU A 58 -1.451 8.717 1.071 1.00 0.00 C ATOM 818 CG LEU A 58 -2.786 7.964 1.034 1.00 0.00 C ATOM 819 CD1 LEU A 58 -3.942 8.964 0.923 1.00 0.00 C ATOM 820 CD2 LEU A 58 -2.816 7.013 -0.170 1.00 0.00 C ATOM 0 H LEU A 58 -1.186 7.828 3.452 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.273 6.915 0.841 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.517 9.565 1.753 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.218 9.118 0.085 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.893 7.386 1.952 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -4.889 8.424 0.897 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.929 9.632 1.784 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.832 9.548 0.009 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.767 6.481 -0.190 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.701 7.587 -1.090 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.001 6.295 -0.087 1.00 0.00 H new ATOM 832 N THR A 59 1.598 8.722 2.647 1.00 0.00 N ATOM 833 CA THR A 59 2.887 9.412 2.668 1.00 0.00 C ATOM 834 C THR A 59 3.991 8.536 3.259 1.00 0.00 C ATOM 835 O THR A 59 5.169 8.881 3.182 1.00 0.00 O ATOM 836 CB THR A 59 2.785 10.716 3.464 1.00 0.00 C ATOM 837 OG1 THR A 59 3.969 10.897 4.230 1.00 0.00 O ATOM 838 CG2 THR A 59 1.580 10.656 4.395 1.00 0.00 C ATOM 0 H THR A 59 1.229 8.460 3.561 1.00 0.00 H new ATOM 0 HA THR A 59 3.149 9.636 1.634 1.00 0.00 H new ATOM 0 HB THR A 59 2.666 11.552 2.775 1.00 0.00 H new ATOM 0 HG1 THR A 59 3.905 11.732 4.739 1.00 0.00 H new ATOM 0 HG21 THR A 59 1.510 11.585 4.960 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.672 10.520 3.807 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.694 9.820 5.085 1.00 0.00 H new ATOM 846 N ASP A 60 3.614 7.406 3.847 1.00 0.00 N ATOM 847 CA ASP A 60 4.602 6.508 4.438 1.00 0.00 C ATOM 848 C ASP A 60 5.569 6.006 3.377 1.00 0.00 C ATOM 849 O ASP A 60 6.785 6.162 3.494 1.00 0.00 O ATOM 850 CB ASP A 60 3.909 5.316 5.100 1.00 0.00 C ATOM 851 CG ASP A 60 4.819 4.708 6.162 1.00 0.00 C ATOM 852 OD1 ASP A 60 5.977 4.474 5.859 1.00 0.00 O ATOM 853 OD2 ASP A 60 4.345 4.486 7.265 1.00 0.00 O ATOM 0 H ASP A 60 2.647 7.092 3.927 1.00 0.00 H new ATOM 0 HA ASP A 60 5.158 7.065 5.192 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.971 5.636 5.553 1.00 0.00 H new ATOM 0 HB3 ASP A 60 3.661 4.566 4.349 1.00 0.00 H new ATOM 858 N GLU A 61 5.007 5.404 2.349 1.00 0.00 N ATOM 859 CA GLU A 61 5.794 4.861 1.245 1.00 0.00 C ATOM 860 C GLU A 61 4.866 4.205 0.230 1.00 0.00 C ATOM 861 O GLU A 61 4.520 3.031 0.364 1.00 0.00 O ATOM 862 CB GLU A 61 6.794 3.829 1.772 1.00 0.00 C ATOM 863 CG GLU A 61 7.683 3.340 0.627 1.00 0.00 C ATOM 864 CD GLU A 61 6.883 2.446 -0.314 1.00 0.00 C ATOM 865 OE1 GLU A 61 6.750 1.271 -0.013 1.00 0.00 O ATOM 866 OE2 GLU A 61 6.417 2.947 -1.325 1.00 0.00 O ATOM 0 H GLU A 61 4.000 5.275 2.249 1.00 0.00 H new ATOM 0 HA GLU A 61 6.341 5.672 0.765 1.00 0.00 H new ATOM 0 HB2 GLU A 61 7.407 4.271 2.558 1.00 0.00 H new ATOM 0 HB3 GLU A 61 6.263 2.988 2.217 1.00 0.00 H new ATOM 0 HG2 GLU A 61 8.084 4.192 0.078 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.535 2.790 1.027 1.00 0.00 H new ATOM 873 N ARG A 62 4.442 4.973 -0.771 1.00 0.00 N ATOM 874 CA ARG A 62 3.531 4.451 -1.773 1.00 0.00 C ATOM 875 C ARG A 62 4.070 4.625 -3.189 1.00 0.00 C ATOM 876 O ARG A 62 4.802 3.778 -3.701 1.00 0.00 O ATOM 877 CB ARG A 62 2.184 5.162 -1.643 1.00 0.00 C ATOM 878 CG ARG A 62 2.319 6.366 -0.709 1.00 0.00 C ATOM 879 CD ARG A 62 3.259 7.417 -1.304 1.00 0.00 C ATOM 880 NE ARG A 62 2.484 8.472 -1.947 1.00 0.00 N ATOM 881 CZ ARG A 62 3.023 9.266 -2.864 1.00 0.00 C ATOM 882 NH1 ARG A 62 4.268 9.102 -3.221 1.00 0.00 N ATOM 883 NH2 ARG A 62 2.308 10.210 -3.409 1.00 0.00 N ATOM 0 H ARG A 62 4.714 5.947 -0.905 1.00 0.00 H new ATOM 0 HA ARG A 62 3.417 3.381 -1.599 1.00 0.00 H new ATOM 0 HB2 ARG A 62 1.839 5.489 -2.624 1.00 0.00 H new ATOM 0 HB3 ARG A 62 1.435 4.472 -1.255 1.00 0.00 H new ATOM 0 HG2 ARG A 62 1.338 6.807 -0.534 1.00 0.00 H new ATOM 0 HG3 ARG A 62 2.699 6.039 0.259 1.00 0.00 H new ATOM 0 HD2 ARG A 62 3.886 7.841 -0.520 1.00 0.00 H new ATOM 0 HD3 ARG A 62 3.926 6.951 -2.029 1.00 0.00 H new ATOM 0 HE ARG A 62 1.507 8.603 -1.686 1.00 0.00 H new ATOM 0 HH11 ARG A 62 4.828 8.363 -2.795 1.00 0.00 H new ATOM 0 HH12 ARG A 62 4.681 9.713 -3.926 1.00 0.00 H new ATOM 0 HH21 ARG A 62 1.335 10.338 -3.131 1.00 0.00 H new ATOM 0 HH22 ARG A 62 2.721 10.821 -4.114 1.00 0.00 H new ATOM 897 N VAL A 63 3.669 5.716 -3.818 1.00 0.00 N ATOM 898 CA VAL A 63 4.067 6.004 -5.185 1.00 0.00 C ATOM 899 C VAL A 63 5.387 6.753 -5.243 1.00 0.00 C ATOM 900 O VAL A 63 6.082 6.732 -6.260 1.00 0.00 O ATOM 901 CB VAL A 63 2.975 6.831 -5.856 1.00 0.00 C ATOM 902 CG1 VAL A 63 2.695 6.277 -7.252 1.00 0.00 C ATOM 903 CG2 VAL A 63 1.700 6.756 -5.010 1.00 0.00 C ATOM 0 H VAL A 63 3.063 6.422 -3.400 1.00 0.00 H new ATOM 0 HA VAL A 63 4.204 5.058 -5.708 1.00 0.00 H new ATOM 0 HB VAL A 63 3.301 7.868 -5.941 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.914 6.870 -7.729 1.00 0.00 H new ATOM 0 HG12 VAL A 63 3.604 6.325 -7.851 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.366 5.241 -7.173 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.914 7.345 -5.483 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.377 5.718 -4.930 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.900 7.152 -4.014 1.00 0.00 H new ATOM 913 N LYS A 64 5.726 7.409 -4.153 1.00 0.00 N ATOM 914 CA LYS A 64 6.966 8.164 -4.088 1.00 0.00 C ATOM 915 C LYS A 64 8.145 7.292 -4.512 1.00 0.00 C ATOM 916 O LYS A 64 8.150 6.085 -4.277 1.00 0.00 O ATOM 917 CB LYS A 64 7.180 8.670 -2.665 1.00 0.00 C ATOM 918 CG LYS A 64 7.086 7.499 -1.688 1.00 0.00 C ATOM 919 CD LYS A 64 8.492 7.090 -1.246 1.00 0.00 C ATOM 920 CE LYS A 64 9.190 8.260 -0.542 1.00 0.00 C ATOM 921 NZ LYS A 64 8.214 9.356 -0.270 1.00 0.00 N ATOM 0 H LYS A 64 5.165 7.437 -3.302 1.00 0.00 H new ATOM 0 HA LYS A 64 6.900 9.012 -4.770 1.00 0.00 H new ATOM 0 HB2 LYS A 64 8.155 9.150 -2.581 1.00 0.00 H new ATOM 0 HB3 LYS A 64 6.432 9.423 -2.419 1.00 0.00 H new ATOM 0 HG2 LYS A 64 6.489 7.782 -0.821 1.00 0.00 H new ATOM 0 HG3 LYS A 64 6.582 6.656 -2.161 1.00 0.00 H new ATOM 0 HD2 LYS A 64 8.435 6.234 -0.574 1.00 0.00 H new ATOM 0 HD3 LYS A 64 9.076 6.777 -2.111 1.00 0.00 H new ATOM 0 HE2 LYS A 64 9.634 7.918 0.393 1.00 0.00 H new ATOM 0 HE3 LYS A 64 10.004 8.634 -1.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 8.621 10.021 0.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 8.003 9.860 -1.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 7.337 8.952 0.116 1.00 0.00 H new ATOM 935 N GLU A 65 9.141 7.911 -5.144 1.00 0.00 N ATOM 936 CA GLU A 65 10.318 7.178 -5.602 1.00 0.00 C ATOM 937 C GLU A 65 11.519 7.458 -4.696 1.00 0.00 C ATOM 938 O GLU A 65 12.151 8.509 -4.802 1.00 0.00 O ATOM 939 CB GLU A 65 10.662 7.591 -7.035 1.00 0.00 C ATOM 940 CG GLU A 65 9.565 7.103 -7.983 1.00 0.00 C ATOM 941 CD GLU A 65 9.124 8.240 -8.901 1.00 0.00 C ATOM 942 OE1 GLU A 65 9.974 8.792 -9.578 1.00 0.00 O ATOM 943 OE2 GLU A 65 7.942 8.541 -8.911 1.00 0.00 O ATOM 0 H GLU A 65 9.156 8.910 -5.349 1.00 0.00 H new ATOM 0 HA GLU A 65 10.091 6.112 -5.568 1.00 0.00 H new ATOM 0 HB2 GLU A 65 10.758 8.675 -7.100 1.00 0.00 H new ATOM 0 HB3 GLU A 65 11.624 7.168 -7.326 1.00 0.00 H new ATOM 0 HG2 GLU A 65 9.932 6.266 -8.577 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.714 6.737 -7.409 1.00 0.00 H new ATOM 950 N PRO A 66 11.843 6.544 -3.814 1.00 0.00 N ATOM 951 CA PRO A 66 12.995 6.702 -2.876 1.00 0.00 C ATOM 952 C PRO A 66 14.289 7.057 -3.606 1.00 0.00 C ATOM 953 O PRO A 66 14.315 7.963 -4.439 1.00 0.00 O ATOM 954 CB PRO A 66 13.109 5.334 -2.199 1.00 0.00 C ATOM 955 CG PRO A 66 11.759 4.714 -2.326 1.00 0.00 C ATOM 956 CD PRO A 66 11.148 5.262 -3.613 1.00 0.00 C ATOM 0 HA PRO A 66 12.835 7.518 -2.171 1.00 0.00 H new ATOM 0 HB2 PRO A 66 13.870 4.720 -2.681 1.00 0.00 H new ATOM 0 HB3 PRO A 66 13.397 5.436 -1.153 1.00 0.00 H new ATOM 0 HG2 PRO A 66 11.834 3.627 -2.364 1.00 0.00 H new ATOM 0 HG3 PRO A 66 11.137 4.961 -1.466 1.00 0.00 H new ATOM 0 HD2 PRO A 66 11.308 4.585 -4.452 1.00 0.00 H new ATOM 0 HD3 PRO A 66 10.071 5.402 -3.517 1.00 0.00 H new ATOM 964 N SER A 67 15.359 6.335 -3.286 1.00 0.00 N ATOM 965 CA SER A 67 16.652 6.581 -3.918 1.00 0.00 C ATOM 966 C SER A 67 17.706 5.619 -3.389 1.00 0.00 C ATOM 967 O SER A 67 18.671 5.292 -4.082 1.00 0.00 O ATOM 968 CB SER A 67 17.097 8.021 -3.658 1.00 0.00 C ATOM 969 OG SER A 67 18.346 8.248 -4.299 1.00 0.00 O ATOM 0 H SER A 67 15.358 5.581 -2.599 1.00 0.00 H new ATOM 0 HA SER A 67 16.541 6.422 -4.991 1.00 0.00 H new ATOM 0 HB2 SER A 67 16.349 8.719 -4.035 1.00 0.00 H new ATOM 0 HB3 SER A 67 17.187 8.198 -2.586 1.00 0.00 H new ATOM 0 HG SER A 67 18.634 9.170 -4.136 1.00 0.00 H new ATOM 975 N GLN A 68 17.516 5.173 -2.159 1.00 0.00 N ATOM 976 CA GLN A 68 18.453 4.248 -1.531 1.00 0.00 C ATOM 977 C GLN A 68 18.713 3.044 -2.432 1.00 0.00 C ATOM 978 O GLN A 68 19.385 3.158 -3.458 1.00 0.00 O ATOM 979 CB GLN A 68 17.895 3.773 -0.188 1.00 0.00 C ATOM 980 CG GLN A 68 17.530 4.985 0.670 1.00 0.00 C ATOM 981 CD GLN A 68 18.521 5.126 1.820 1.00 0.00 C ATOM 982 OE1 GLN A 68 19.691 5.437 1.598 1.00 0.00 O ATOM 983 NE2 GLN A 68 18.119 4.914 3.043 1.00 0.00 N ATOM 0 H GLN A 68 16.723 5.434 -1.573 1.00 0.00 H new ATOM 0 HA GLN A 68 19.395 4.772 -1.370 1.00 0.00 H new ATOM 0 HB2 GLN A 68 17.016 3.149 -0.348 1.00 0.00 H new ATOM 0 HB3 GLN A 68 18.633 3.158 0.327 1.00 0.00 H new ATOM 0 HG2 GLN A 68 17.537 5.888 0.060 1.00 0.00 H new ATOM 0 HG3 GLN A 68 16.519 4.873 1.062 1.00 0.00 H new ATOM 0 HE21 GLN A 68 17.149 4.656 3.223 1.00 0.00 H new ATOM 0 HE22 GLN A 68 18.775 5.006 3.819 1.00 0.00 H new ATOM 992 N ASP A 69 18.183 1.891 -2.038 1.00 0.00 N ATOM 993 CA ASP A 69 18.368 0.670 -2.813 1.00 0.00 C ATOM 994 C ASP A 69 17.310 0.557 -3.900 1.00 0.00 C ATOM 995 O ASP A 69 17.453 -0.210 -4.852 1.00 0.00 O ATOM 996 CB ASP A 69 18.286 -0.545 -1.889 1.00 0.00 C ATOM 997 CG ASP A 69 19.646 -1.230 -1.800 1.00 0.00 C ATOM 998 OD1 ASP A 69 20.628 -0.531 -1.610 1.00 0.00 O ATOM 999 OD2 ASP A 69 19.686 -2.443 -1.921 1.00 0.00 O ATOM 0 H ASP A 69 17.625 1.777 -1.192 1.00 0.00 H new ATOM 0 HA ASP A 69 19.350 0.705 -3.285 1.00 0.00 H new ATOM 0 HB2 ASP A 69 17.961 -0.235 -0.896 1.00 0.00 H new ATOM 0 HB3 ASP A 69 17.541 -1.247 -2.264 1.00 0.00 H new ATOM 1004 N THR A 70 16.250 1.327 -3.742 1.00 0.00 N ATOM 1005 CA THR A 70 15.157 1.322 -4.708 1.00 0.00 C ATOM 1006 C THR A 70 15.258 2.523 -5.642 1.00 0.00 C ATOM 1007 O THR A 70 15.518 3.644 -5.205 1.00 0.00 O ATOM 1008 CB THR A 70 13.813 1.353 -3.977 1.00 0.00 C ATOM 1009 OG1 THR A 70 13.641 2.619 -3.355 1.00 0.00 O ATOM 1010 CG2 THR A 70 13.780 0.252 -2.917 1.00 0.00 C ATOM 0 H THR A 70 16.118 1.964 -2.957 1.00 0.00 H new ATOM 0 HA THR A 70 15.228 0.410 -5.301 1.00 0.00 H new ATOM 0 HB THR A 70 13.007 1.188 -4.693 1.00 0.00 H new ATOM 0 HG1 THR A 70 13.655 2.510 -2.381 1.00 0.00 H new ATOM 0 HG21 THR A 70 12.822 0.276 -2.397 1.00 0.00 H new ATOM 0 HG22 THR A 70 13.909 -0.718 -3.396 1.00 0.00 H new ATOM 0 HG23 THR A 70 14.585 0.413 -2.200 1.00 0.00 H new ATOM 1018 N VAL A 71 15.052 2.280 -6.933 1.00 0.00 N ATOM 1019 CA VAL A 71 15.123 3.347 -7.923 1.00 0.00 C ATOM 1020 C VAL A 71 14.043 3.172 -8.985 1.00 0.00 C ATOM 1021 O VAL A 71 13.332 2.168 -9.006 1.00 0.00 O ATOM 1022 CB VAL A 71 16.496 3.347 -8.595 1.00 0.00 C ATOM 1023 CG1 VAL A 71 16.603 4.549 -9.536 1.00 0.00 C ATOM 1024 CG2 VAL A 71 17.589 3.436 -7.529 1.00 0.00 C ATOM 0 H VAL A 71 14.836 1.359 -7.315 1.00 0.00 H new ATOM 0 HA VAL A 71 14.965 4.296 -7.411 1.00 0.00 H new ATOM 0 HB VAL A 71 16.620 2.426 -9.165 1.00 0.00 H new ATOM 0 HG11 VAL A 71 17.582 4.550 -10.016 1.00 0.00 H new ATOM 0 HG12 VAL A 71 15.826 4.485 -10.298 1.00 0.00 H new ATOM 0 HG13 VAL A 71 16.478 5.470 -8.966 1.00 0.00 H new ATOM 0 HG21 VAL A 71 18.567 3.436 -8.010 1.00 0.00 H new ATOM 0 HG22 VAL A 71 17.466 4.356 -6.957 1.00 0.00 H new ATOM 0 HG23 VAL A 71 17.514 2.580 -6.859 1.00 0.00 H new ATOM 1034 N ALA A 72 13.937 4.158 -9.868 1.00 0.00 N ATOM 1035 CA ALA A 72 12.954 4.117 -10.942 1.00 0.00 C ATOM 1036 C ALA A 72 13.655 4.054 -12.288 1.00 0.00 C ATOM 1037 O ALA A 72 13.962 2.977 -12.797 1.00 0.00 O ATOM 1038 CB ALA A 72 12.064 5.361 -10.884 1.00 0.00 C ATOM 0 H ALA A 72 14.520 4.995 -9.861 1.00 0.00 H new ATOM 0 HA ALA A 72 12.336 3.227 -10.819 1.00 0.00 H new ATOM 0 HB1 ALA A 72 11.332 5.322 -11.691 1.00 0.00 H new ATOM 0 HB2 ALA A 72 11.546 5.394 -9.925 1.00 0.00 H new ATOM 0 HB3 ALA A 72 12.679 6.254 -10.995 1.00 0.00 H new ATOM 1044 N THR A 73 13.910 5.222 -12.849 1.00 0.00 N ATOM 1045 CA THR A 73 14.586 5.315 -14.138 1.00 0.00 C ATOM 1046 C THR A 73 15.332 6.640 -14.252 1.00 0.00 C ATOM 1047 O THR A 73 16.563 6.672 -14.257 1.00 0.00 O ATOM 1048 CB THR A 73 13.565 5.201 -15.273 1.00 0.00 C ATOM 1049 OG1 THR A 73 12.660 4.144 -14.988 1.00 0.00 O ATOM 1050 CG2 THR A 73 14.285 4.916 -16.594 1.00 0.00 C ATOM 0 H THR A 73 13.661 6.121 -12.436 1.00 0.00 H new ATOM 0 HA THR A 73 15.303 4.498 -14.214 1.00 0.00 H new ATOM 0 HB THR A 73 13.017 6.139 -15.360 1.00 0.00 H new ATOM 0 HG1 THR A 73 12.004 4.070 -15.713 1.00 0.00 H new ATOM 0 HG21 THR A 73 13.553 4.836 -17.398 1.00 0.00 H new ATOM 0 HG22 THR A 73 14.978 5.729 -16.814 1.00 0.00 H new ATOM 0 HG23 THR A 73 14.838 3.980 -16.512 1.00 0.00 H new ATOM 1058 N GLU A 74 14.580 7.733 -14.342 1.00 0.00 N ATOM 1059 CA GLU A 74 15.185 9.055 -14.456 1.00 0.00 C ATOM 1060 C GLU A 74 14.960 9.863 -13.181 1.00 0.00 C ATOM 1061 O GLU A 74 15.855 10.568 -12.716 1.00 0.00 O ATOM 1062 CB GLU A 74 14.590 9.805 -15.650 1.00 0.00 C ATOM 1063 CG GLU A 74 13.999 8.802 -16.642 1.00 0.00 C ATOM 1064 CD GLU A 74 14.052 9.375 -18.054 1.00 0.00 C ATOM 1065 OE1 GLU A 74 13.427 10.399 -18.281 1.00 0.00 O ATOM 1066 OE2 GLU A 74 14.716 8.783 -18.888 1.00 0.00 O ATOM 0 H GLU A 74 13.560 7.730 -14.338 1.00 0.00 H new ATOM 0 HA GLU A 74 16.257 8.928 -14.606 1.00 0.00 H new ATOM 0 HB2 GLU A 74 13.817 10.495 -15.311 1.00 0.00 H new ATOM 0 HB3 GLU A 74 15.360 10.403 -16.137 1.00 0.00 H new ATOM 0 HG2 GLU A 74 14.554 7.865 -16.599 1.00 0.00 H new ATOM 0 HG3 GLU A 74 12.968 8.574 -16.371 1.00 0.00 H new ATOM 1073 N PRO A 75 13.787 9.772 -12.613 1.00 0.00 N ATOM 1074 CA PRO A 75 13.439 10.510 -11.364 1.00 0.00 C ATOM 1075 C PRO A 75 14.377 10.158 -10.214 1.00 0.00 C ATOM 1076 O PRO A 75 15.373 9.460 -10.403 1.00 0.00 O ATOM 1077 CB PRO A 75 12.004 10.068 -11.053 1.00 0.00 C ATOM 1078 CG PRO A 75 11.468 9.503 -12.326 1.00 0.00 C ATOM 1079 CD PRO A 75 12.666 8.958 -13.098 1.00 0.00 C ATOM 0 HA PRO A 75 13.532 11.589 -11.491 1.00 0.00 H new ATOM 0 HB2 PRO A 75 11.988 9.323 -10.257 1.00 0.00 H new ATOM 0 HB3 PRO A 75 11.400 10.910 -10.714 1.00 0.00 H new ATOM 0 HG2 PRO A 75 10.744 8.713 -12.125 1.00 0.00 H new ATOM 0 HG3 PRO A 75 10.951 10.270 -12.903 1.00 0.00 H new ATOM 0 HD2 PRO A 75 12.824 7.898 -12.898 1.00 0.00 H new ATOM 0 HD3 PRO A 75 12.531 9.062 -14.175 1.00 0.00 H new ATOM 1087 N SER A 76 14.052 10.644 -9.022 1.00 0.00 N ATOM 1088 CA SER A 76 14.876 10.371 -7.849 1.00 0.00 C ATOM 1089 C SER A 76 14.222 10.935 -6.591 1.00 0.00 C ATOM 1090 O SER A 76 13.003 11.096 -6.532 1.00 0.00 O ATOM 1091 CB SER A 76 16.263 10.991 -8.029 1.00 0.00 C ATOM 1092 OG SER A 76 17.243 10.114 -7.489 1.00 0.00 O ATOM 0 H SER A 76 13.232 11.224 -8.842 1.00 0.00 H new ATOM 0 HA SER A 76 14.973 9.291 -7.740 1.00 0.00 H new ATOM 0 HB2 SER A 76 16.460 11.169 -9.086 1.00 0.00 H new ATOM 0 HB3 SER A 76 16.309 11.959 -7.529 1.00 0.00 H new ATOM 0 HG SER A 76 18.133 10.507 -7.604 1.00 0.00 H new ATOM 1098 N GLU A 77 15.040 11.234 -5.588 1.00 0.00 N ATOM 1099 CA GLU A 77 14.528 11.781 -4.338 1.00 0.00 C ATOM 1100 C GLU A 77 13.554 12.913 -4.616 1.00 0.00 C ATOM 1101 O GLU A 77 12.338 12.721 -4.621 1.00 0.00 O ATOM 1102 CB GLU A 77 15.686 12.298 -3.480 1.00 0.00 C ATOM 1103 CG GLU A 77 16.463 11.112 -2.905 1.00 0.00 C ATOM 1104 CD GLU A 77 17.225 11.544 -1.658 1.00 0.00 C ATOM 1105 OE1 GLU A 77 16.580 11.950 -0.704 1.00 0.00 O ATOM 1106 OE2 GLU A 77 18.443 11.462 -1.673 1.00 0.00 O ATOM 0 H GLU A 77 16.052 11.108 -5.615 1.00 0.00 H new ATOM 0 HA GLU A 77 14.006 10.989 -3.800 1.00 0.00 H new ATOM 0 HB2 GLU A 77 16.347 12.923 -4.081 1.00 0.00 H new ATOM 0 HB3 GLU A 77 15.304 12.922 -2.672 1.00 0.00 H new ATOM 0 HG2 GLU A 77 15.777 10.302 -2.659 1.00 0.00 H new ATOM 0 HG3 GLU A 77 17.158 10.726 -3.651 1.00 0.00 H new ATOM 1113 N VAL A 78 14.106 14.089 -4.851 1.00 0.00 N ATOM 1114 CA VAL A 78 13.294 15.266 -5.141 1.00 0.00 C ATOM 1115 C VAL A 78 13.548 15.752 -6.564 1.00 0.00 C ATOM 1116 O VAL A 78 13.494 14.969 -7.514 1.00 0.00 O ATOM 1117 CB VAL A 78 13.620 16.389 -4.152 1.00 0.00 C ATOM 1118 CG1 VAL A 78 12.485 17.417 -4.154 1.00 0.00 C ATOM 1119 CG2 VAL A 78 13.772 15.804 -2.747 1.00 0.00 C ATOM 0 H VAL A 78 15.112 14.259 -4.848 1.00 0.00 H new ATOM 0 HA VAL A 78 12.244 14.991 -5.042 1.00 0.00 H new ATOM 0 HB VAL A 78 14.551 16.873 -4.448 1.00 0.00 H new ATOM 0 HG11 VAL A 78 12.717 18.216 -3.450 1.00 0.00 H new ATOM 0 HG12 VAL A 78 12.375 17.835 -5.155 1.00 0.00 H new ATOM 0 HG13 VAL A 78 11.554 16.932 -3.859 1.00 0.00 H new ATOM 0 HG21 VAL A 78 14.004 16.603 -2.043 1.00 0.00 H new ATOM 0 HG22 VAL A 78 12.841 15.320 -2.452 1.00 0.00 H new ATOM 0 HG23 VAL A 78 14.579 15.072 -2.743 1.00 0.00 H new ATOM 1129 N GLU A 79 13.825 17.044 -6.707 1.00 0.00 N ATOM 1130 CA GLU A 79 14.085 17.616 -8.024 1.00 0.00 C ATOM 1131 C GLU A 79 15.451 18.294 -8.054 1.00 0.00 C ATOM 1132 O GLU A 79 16.485 17.626 -8.092 1.00 0.00 O ATOM 1133 CB GLU A 79 12.998 18.634 -8.377 1.00 0.00 C ATOM 1134 CG GLU A 79 11.702 17.900 -8.718 1.00 0.00 C ATOM 1135 CD GLU A 79 10.505 18.696 -8.211 1.00 0.00 C ATOM 1136 OE1 GLU A 79 10.342 18.778 -7.005 1.00 0.00 O ATOM 1137 OE2 GLU A 79 9.770 19.214 -9.036 1.00 0.00 O ATOM 0 H GLU A 79 13.875 17.710 -5.936 1.00 0.00 H new ATOM 0 HA GLU A 79 14.077 16.809 -8.757 1.00 0.00 H new ATOM 0 HB2 GLU A 79 12.835 19.312 -7.539 1.00 0.00 H new ATOM 0 HB3 GLU A 79 13.317 19.243 -9.223 1.00 0.00 H new ATOM 0 HG2 GLU A 79 11.626 17.760 -9.796 1.00 0.00 H new ATOM 0 HG3 GLU A 79 11.707 16.908 -8.267 1.00 0.00 H new ATOM 1144 N GLY A 80 15.449 19.624 -8.037 1.00 0.00 N ATOM 1145 CA GLY A 80 16.695 20.379 -8.065 1.00 0.00 C ATOM 1146 C GLY A 80 16.841 21.240 -6.815 1.00 0.00 C ATOM 1147 O GLY A 80 17.286 20.765 -5.770 1.00 0.00 O ATOM 0 H GLY A 80 14.605 20.196 -8.004 1.00 0.00 H new ATOM 0 HA2 GLY A 80 17.539 19.693 -8.139 1.00 0.00 H new ATOM 0 HA3 GLY A 80 16.721 21.012 -8.952 1.00 0.00 H new ATOM 1151 N SER A 81 16.464 22.509 -6.931 1.00 0.00 N ATOM 1152 CA SER A 81 16.559 23.428 -5.803 1.00 0.00 C ATOM 1153 C SER A 81 15.189 23.994 -5.454 1.00 0.00 C ATOM 1154 O SER A 81 14.165 23.520 -5.948 1.00 0.00 O ATOM 1155 CB SER A 81 17.513 24.572 -6.145 1.00 0.00 C ATOM 1156 OG SER A 81 18.836 24.206 -5.776 1.00 0.00 O ATOM 0 H SER A 81 16.093 22.922 -7.787 1.00 0.00 H new ATOM 0 HA SER A 81 16.941 22.879 -4.942 1.00 0.00 H new ATOM 0 HB2 SER A 81 17.468 24.792 -7.212 1.00 0.00 H new ATOM 0 HB3 SER A 81 17.214 25.479 -5.620 1.00 0.00 H new ATOM 0 HG SER A 81 19.451 24.937 -5.996 1.00 0.00 H new ATOM 1162 N ALA A 82 15.177 25.008 -4.598 1.00 0.00 N ATOM 1163 CA ALA A 82 13.931 25.634 -4.185 1.00 0.00 C ATOM 1164 C ALA A 82 13.000 25.826 -5.378 1.00 0.00 C ATOM 1165 O ALA A 82 12.137 24.990 -5.644 1.00 0.00 O ATOM 1166 CB ALA A 82 14.225 26.987 -3.539 1.00 0.00 C ATOM 0 H ALA A 82 16.014 25.412 -4.178 1.00 0.00 H new ATOM 0 HA ALA A 82 13.439 24.982 -3.463 1.00 0.00 H new ATOM 0 HB1 ALA A 82 13.290 27.454 -3.231 1.00 0.00 H new ATOM 0 HB2 ALA A 82 14.863 26.843 -2.667 1.00 0.00 H new ATOM 0 HB3 ALA A 82 14.732 27.631 -4.258 1.00 0.00 H new ATOM 1172 N ALA A 83 13.176 26.936 -6.090 1.00 0.00 N ATOM 1173 CA ALA A 83 12.341 27.228 -7.250 1.00 0.00 C ATOM 1174 C ALA A 83 13.023 26.778 -8.538 1.00 0.00 C ATOM 1175 O ALA A 83 14.238 26.588 -8.578 1.00 0.00 O ATOM 1176 CB ALA A 83 12.053 28.729 -7.322 1.00 0.00 C ATOM 0 H ALA A 83 13.883 27.642 -5.886 1.00 0.00 H new ATOM 0 HA ALA A 83 11.405 26.681 -7.142 1.00 0.00 H new ATOM 0 HB1 ALA A 83 11.429 28.938 -8.191 1.00 0.00 H new ATOM 0 HB2 ALA A 83 11.533 29.043 -6.417 1.00 0.00 H new ATOM 0 HB3 ALA A 83 12.992 29.276 -7.409 1.00 0.00 H new ATOM 1182 N ASN A 84 12.226 26.611 -9.589 1.00 0.00 N ATOM 1183 CA ASN A 84 12.754 26.183 -10.881 1.00 0.00 C ATOM 1184 C ASN A 84 11.830 26.640 -12.006 1.00 0.00 C ATOM 1185 O ASN A 84 11.912 26.144 -13.130 1.00 0.00 O ATOM 1186 CB ASN A 84 12.885 24.657 -10.909 1.00 0.00 C ATOM 1187 CG ASN A 84 14.351 24.258 -11.045 1.00 0.00 C ATOM 1188 OD1 ASN A 84 15.145 24.490 -10.132 1.00 0.00 O ATOM 1189 ND2 ASN A 84 14.759 23.666 -12.133 1.00 0.00 N ATOM 0 H ASN A 84 11.218 26.764 -9.573 1.00 0.00 H new ATOM 0 HA ASN A 84 13.736 26.633 -11.025 1.00 0.00 H new ATOM 0 HB2 ASN A 84 12.468 24.232 -9.996 1.00 0.00 H new ATOM 0 HB3 ASN A 84 12.311 24.250 -11.742 1.00 0.00 H new ATOM 0 HD21 ASN A 84 15.737 23.394 -12.229 1.00 0.00 H new ATOM 0 HD22 ASN A 84 14.100 23.475 -12.888 1.00 0.00 H new ATOM 1196 N LYS A 85 10.949 27.584 -11.691 1.00 0.00 N ATOM 1197 CA LYS A 85 10.008 28.103 -12.675 1.00 0.00 C ATOM 1198 C LYS A 85 10.743 28.696 -13.873 1.00 0.00 C ATOM 1199 O LYS A 85 11.642 28.070 -14.435 1.00 0.00 O ATOM 1200 CB LYS A 85 9.130 29.178 -12.031 1.00 0.00 C ATOM 1201 CG LYS A 85 7.862 29.381 -12.867 1.00 0.00 C ATOM 1202 CD LYS A 85 6.632 29.057 -12.018 1.00 0.00 C ATOM 1203 CE LYS A 85 6.480 27.539 -11.900 1.00 0.00 C ATOM 1204 NZ LYS A 85 5.693 27.213 -10.676 1.00 0.00 N ATOM 0 H LYS A 85 10.868 28.004 -10.765 1.00 0.00 H new ATOM 0 HA LYS A 85 9.387 27.278 -13.024 1.00 0.00 H new ATOM 0 HB2 LYS A 85 8.864 28.883 -11.016 1.00 0.00 H new ATOM 0 HB3 LYS A 85 9.682 30.115 -11.957 1.00 0.00 H new ATOM 0 HG2 LYS A 85 7.810 30.410 -13.224 1.00 0.00 H new ATOM 0 HG3 LYS A 85 7.888 28.739 -13.748 1.00 0.00 H new ATOM 0 HD2 LYS A 85 6.733 29.501 -11.028 1.00 0.00 H new ATOM 0 HD3 LYS A 85 5.740 29.489 -12.472 1.00 0.00 H new ATOM 0 HE2 LYS A 85 5.979 27.143 -12.784 1.00 0.00 H new ATOM 0 HE3 LYS A 85 7.461 27.067 -11.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 5.589 26.181 -10.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 6.188 27.578 -9.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 4.752 27.652 -10.741 1.00 0.00 H new ATOM 1218 N GLU A 86 10.350 29.905 -14.260 1.00 0.00 N ATOM 1219 CA GLU A 86 10.974 30.578 -15.395 1.00 0.00 C ATOM 1220 C GLU A 86 12.216 31.339 -14.951 1.00 0.00 C ATOM 1221 O GLU A 86 13.060 31.708 -15.767 1.00 0.00 O ATOM 1222 CB GLU A 86 9.973 31.546 -16.034 1.00 0.00 C ATOM 1223 CG GLU A 86 10.568 32.139 -17.313 1.00 0.00 C ATOM 1224 CD GLU A 86 9.653 33.235 -17.850 1.00 0.00 C ATOM 1225 OE1 GLU A 86 8.450 33.103 -17.701 1.00 0.00 O ATOM 1226 OE2 GLU A 86 10.171 34.193 -18.401 1.00 0.00 O ATOM 0 H GLU A 86 9.606 30.437 -13.808 1.00 0.00 H new ATOM 0 HA GLU A 86 11.271 29.826 -16.126 1.00 0.00 H new ATOM 0 HB2 GLU A 86 9.044 31.024 -16.263 1.00 0.00 H new ATOM 0 HB3 GLU A 86 9.727 32.344 -15.333 1.00 0.00 H new ATOM 0 HG2 GLU A 86 11.558 32.547 -17.109 1.00 0.00 H new ATOM 0 HG3 GLU A 86 10.693 31.358 -18.063 1.00 0.00 H new ATOM 1233 N VAL A 87 12.321 31.569 -13.652 1.00 0.00 N ATOM 1234 CA VAL A 87 13.463 32.290 -13.104 1.00 0.00 C ATOM 1235 C VAL A 87 14.107 31.507 -11.968 1.00 0.00 C ATOM 1236 O VAL A 87 13.424 30.901 -11.144 1.00 0.00 O ATOM 1237 CB VAL A 87 13.020 33.665 -12.599 1.00 0.00 C ATOM 1238 CG1 VAL A 87 14.247 34.554 -12.392 1.00 0.00 C ATOM 1239 CG2 VAL A 87 12.096 34.311 -13.635 1.00 0.00 C ATOM 0 H VAL A 87 11.635 31.270 -12.959 1.00 0.00 H new ATOM 0 HA VAL A 87 14.200 32.415 -13.897 1.00 0.00 H new ATOM 0 HB VAL A 87 12.490 33.551 -11.653 1.00 0.00 H new ATOM 0 HG11 VAL A 87 13.930 35.533 -12.032 1.00 0.00 H new ATOM 0 HG12 VAL A 87 14.909 34.095 -11.658 1.00 0.00 H new ATOM 0 HG13 VAL A 87 14.777 34.669 -13.338 1.00 0.00 H new ATOM 0 HG21 VAL A 87 11.778 35.291 -13.278 1.00 0.00 H new ATOM 0 HG22 VAL A 87 12.630 34.424 -14.579 1.00 0.00 H new ATOM 0 HG23 VAL A 87 11.221 33.679 -13.786 1.00 0.00 H new ATOM 1249 N LEU A 88 15.434 31.531 -11.938 1.00 0.00 N ATOM 1250 CA LEU A 88 16.185 30.831 -10.908 1.00 0.00 C ATOM 1251 C LEU A 88 16.172 31.630 -9.618 1.00 0.00 C ATOM 1252 O LEU A 88 16.273 31.080 -8.522 1.00 0.00 O ATOM 1253 CB LEU A 88 17.628 30.634 -11.369 1.00 0.00 C ATOM 1254 CG LEU A 88 17.657 29.772 -12.632 1.00 0.00 C ATOM 1255 CD1 LEU A 88 17.652 30.672 -13.870 1.00 0.00 C ATOM 1256 CD2 LEU A 88 18.928 28.921 -12.630 1.00 0.00 C ATOM 0 H LEU A 88 16.011 32.028 -12.616 1.00 0.00 H new ATOM 0 HA LEU A 88 15.722 29.860 -10.731 1.00 0.00 H new ATOM 0 HB2 LEU A 88 18.091 31.601 -11.567 1.00 0.00 H new ATOM 0 HB3 LEU A 88 18.210 30.158 -10.580 1.00 0.00 H new ATOM 0 HG LEU A 88 16.779 29.126 -12.652 1.00 0.00 H new ATOM 0 HD11 LEU A 88 17.673 30.055 -14.768 1.00 0.00 H new ATOM 0 HD12 LEU A 88 16.750 31.284 -13.871 1.00 0.00 H new ATOM 0 HD13 LEU A 88 18.529 31.318 -13.853 1.00 0.00 H new ATOM 0 HD21 LEU A 88 18.954 28.304 -13.528 1.00 0.00 H new ATOM 0 HD22 LEU A 88 19.802 29.572 -12.611 1.00 0.00 H new ATOM 0 HD23 LEU A 88 18.935 28.279 -11.749 1.00 0.00 H new ATOM 1268 N ALA A 89 16.046 32.935 -9.772 1.00 0.00 N ATOM 1269 CA ALA A 89 16.016 33.842 -8.635 1.00 0.00 C ATOM 1270 C ALA A 89 17.203 33.581 -7.715 1.00 0.00 C ATOM 1271 O ALA A 89 18.015 32.693 -7.972 1.00 0.00 O ATOM 1272 CB ALA A 89 14.711 33.658 -7.866 1.00 0.00 C ATOM 0 H ALA A 89 15.962 33.395 -10.679 1.00 0.00 H new ATOM 0 HA ALA A 89 16.079 34.867 -9.000 1.00 0.00 H new ATOM 0 HB1 ALA A 89 14.691 34.339 -7.015 1.00 0.00 H new ATOM 0 HB2 ALA A 89 13.868 33.874 -8.523 1.00 0.00 H new ATOM 0 HB3 ALA A 89 14.640 32.630 -7.510 1.00 0.00 H new ATOM 1278 N LYS A 90 17.304 34.364 -6.645 1.00 0.00 N ATOM 1279 CA LYS A 90 18.404 34.205 -5.703 1.00 0.00 C ATOM 1280 C LYS A 90 17.912 34.334 -4.264 1.00 0.00 C ATOM 1281 O LYS A 90 16.810 33.897 -3.932 1.00 0.00 O ATOM 1282 CB LYS A 90 19.475 35.263 -5.978 1.00 0.00 C ATOM 1283 CG LYS A 90 20.861 34.623 -5.884 1.00 0.00 C ATOM 1284 CD LYS A 90 21.172 33.886 -7.188 1.00 0.00 C ATOM 1285 CE LYS A 90 21.303 34.897 -8.328 1.00 0.00 C ATOM 1286 NZ LYS A 90 22.298 34.399 -9.320 1.00 0.00 N ATOM 0 H LYS A 90 16.645 35.107 -6.411 1.00 0.00 H new ATOM 0 HA LYS A 90 18.829 33.210 -5.834 1.00 0.00 H new ATOM 0 HB2 LYS A 90 19.329 35.695 -6.968 1.00 0.00 H new ATOM 0 HB3 LYS A 90 19.389 36.078 -5.259 1.00 0.00 H new ATOM 0 HG2 LYS A 90 21.615 35.388 -5.698 1.00 0.00 H new ATOM 0 HG3 LYS A 90 20.897 33.929 -5.044 1.00 0.00 H new ATOM 0 HD2 LYS A 90 22.096 33.317 -7.085 1.00 0.00 H new ATOM 0 HD3 LYS A 90 20.380 33.171 -7.411 1.00 0.00 H new ATOM 0 HE2 LYS A 90 20.336 35.046 -8.809 1.00 0.00 H new ATOM 0 HE3 LYS A 90 21.617 35.865 -7.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 22.388 35.086 -10.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 23.221 34.278 -8.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 21.980 33.485 -9.702 1.00 0.00 H new ATOM 1300 N VAL A 91 18.738 34.936 -3.415 1.00 0.00 N ATOM 1301 CA VAL A 91 18.383 35.121 -2.013 1.00 0.00 C ATOM 1302 C VAL A 91 17.325 36.207 -1.873 1.00 0.00 C ATOM 1303 O VAL A 91 17.436 37.086 -1.018 1.00 0.00 O ATOM 1304 CB VAL A 91 19.624 35.506 -1.208 1.00 0.00 C ATOM 1305 CG1 VAL A 91 19.383 35.208 0.274 1.00 0.00 C ATOM 1306 CG2 VAL A 91 20.826 34.696 -1.701 1.00 0.00 C ATOM 0 H VAL A 91 19.654 35.303 -3.672 1.00 0.00 H new ATOM 0 HA VAL A 91 17.980 34.184 -1.630 1.00 0.00 H new ATOM 0 HB VAL A 91 19.825 36.569 -1.338 1.00 0.00 H new ATOM 0 HG11 VAL A 91 20.268 35.482 0.849 1.00 0.00 H new ATOM 0 HG12 VAL A 91 18.528 35.785 0.627 1.00 0.00 H new ATOM 0 HG13 VAL A 91 19.182 34.145 0.403 1.00 0.00 H new ATOM 0 HG21 VAL A 91 21.710 34.971 -1.126 1.00 0.00 H new ATOM 0 HG22 VAL A 91 20.626 33.632 -1.572 1.00 0.00 H new ATOM 0 HG23 VAL A 91 20.999 34.907 -2.756 1.00 0.00 H new ATOM 1316 N ILE A 92 16.305 36.137 -2.725 1.00 0.00 N ATOM 1317 CA ILE A 92 15.220 37.117 -2.707 1.00 0.00 C ATOM 1318 C ILE A 92 15.167 37.855 -1.374 1.00 0.00 C ATOM 1319 O ILE A 92 15.140 37.236 -0.310 1.00 0.00 O ATOM 1320 CB ILE A 92 13.883 36.415 -2.949 1.00 0.00 C ATOM 1321 CG1 ILE A 92 13.755 35.227 -1.994 1.00 0.00 C ATOM 1322 CG2 ILE A 92 13.823 35.914 -4.394 1.00 0.00 C ATOM 1323 CD1 ILE A 92 12.402 34.544 -2.204 1.00 0.00 C ATOM 0 H ILE A 92 16.206 35.413 -3.436 1.00 0.00 H new ATOM 0 HA ILE A 92 15.408 37.843 -3.498 1.00 0.00 H new ATOM 0 HB ILE A 92 13.067 37.116 -2.774 1.00 0.00 H new ATOM 0 HG12 ILE A 92 14.563 34.517 -2.170 1.00 0.00 H new ATOM 0 HG13 ILE A 92 13.847 35.565 -0.962 1.00 0.00 H new ATOM 0 HG21 ILE A 92 12.870 35.414 -4.566 1.00 0.00 H new ATOM 0 HG22 ILE A 92 13.918 36.759 -5.076 1.00 0.00 H new ATOM 0 HG23 ILE A 92 14.638 35.212 -4.570 1.00 0.00 H new ATOM 0 HD11 ILE A 92 12.312 33.698 -1.523 1.00 0.00 H new ATOM 0 HD12 ILE A 92 11.601 35.256 -2.006 1.00 0.00 H new ATOM 0 HD13 ILE A 92 12.328 34.191 -3.233 1.00 0.00 H new ATOM 1335 N ASP A 93 15.148 39.181 -1.442 1.00 0.00 N ATOM 1336 CA ASP A 93 15.095 40.000 -0.236 1.00 0.00 C ATOM 1337 C ASP A 93 14.973 41.470 -0.595 1.00 0.00 C ATOM 1338 O ASP A 93 15.902 42.073 -1.131 1.00 0.00 O ATOM 1339 CB ASP A 93 16.349 39.774 0.610 1.00 0.00 C ATOM 1340 CG ASP A 93 16.323 40.681 1.836 1.00 0.00 C ATOM 1341 OD1 ASP A 93 15.606 40.362 2.769 1.00 0.00 O ATOM 1342 OD2 ASP A 93 17.022 41.681 1.823 1.00 0.00 O ATOM 0 H ASP A 93 15.168 39.710 -2.314 1.00 0.00 H new ATOM 0 HA ASP A 93 14.218 39.707 0.341 1.00 0.00 H new ATOM 0 HB2 ASP A 93 16.405 38.731 0.921 1.00 0.00 H new ATOM 0 HB3 ASP A 93 17.240 39.978 0.016 1.00 0.00 H new ATOM 1347 N LEU A 94 13.809 42.033 -0.306 1.00 0.00 N ATOM 1348 CA LEU A 94 13.550 43.424 -0.611 1.00 0.00 C ATOM 1349 C LEU A 94 12.967 44.146 0.593 1.00 0.00 C ATOM 1350 O LEU A 94 13.672 44.851 1.316 1.00 0.00 O ATOM 1351 CB LEU A 94 12.582 43.495 -1.783 1.00 0.00 C ATOM 1352 CG LEU A 94 11.500 42.423 -1.627 1.00 0.00 C ATOM 1353 CD1 LEU A 94 10.122 43.054 -1.842 1.00 0.00 C ATOM 1354 CD2 LEU A 94 11.721 41.324 -2.669 1.00 0.00 C ATOM 0 H LEU A 94 13.032 41.545 0.139 1.00 0.00 H new ATOM 0 HA LEU A 94 14.488 43.914 -0.871 1.00 0.00 H new ATOM 0 HB2 LEU A 94 12.124 44.483 -1.829 1.00 0.00 H new ATOM 0 HB3 LEU A 94 13.119 43.349 -2.720 1.00 0.00 H new ATOM 0 HG LEU A 94 11.553 41.995 -0.626 1.00 0.00 H new ATOM 0 HD11 LEU A 94 9.351 42.291 -1.731 1.00 0.00 H new ATOM 0 HD12 LEU A 94 9.963 43.841 -1.104 1.00 0.00 H new ATOM 0 HD13 LEU A 94 10.069 43.480 -2.844 1.00 0.00 H new ATOM 0 HD21 LEU A 94 10.952 40.559 -2.560 1.00 0.00 H new ATOM 0 HD22 LEU A 94 11.666 41.754 -3.669 1.00 0.00 H new ATOM 0 HD23 LEU A 94 12.703 40.875 -2.521 1.00 0.00 H new ATOM 1366 N THR A 95 11.675 43.964 0.794 1.00 0.00 N ATOM 1367 CA THR A 95 10.985 44.596 1.910 1.00 0.00 C ATOM 1368 C THR A 95 11.489 46.027 2.098 1.00 0.00 C ATOM 1369 O THR A 95 12.068 46.608 1.179 1.00 0.00 O ATOM 1370 CB THR A 95 11.197 43.773 3.192 1.00 0.00 C ATOM 1371 OG1 THR A 95 11.364 44.641 4.304 1.00 0.00 O ATOM 1372 CG2 THR A 95 12.440 42.891 3.047 1.00 0.00 C ATOM 0 H THR A 95 11.080 43.385 0.201 1.00 0.00 H new ATOM 0 HA THR A 95 9.917 44.633 1.694 1.00 0.00 H new ATOM 0 HB THR A 95 10.322 43.143 3.353 1.00 0.00 H new ATOM 0 HG1 THR A 95 12.305 44.906 4.374 1.00 0.00 H new ATOM 0 HG21 THR A 95 12.583 42.311 3.959 1.00 0.00 H new ATOM 0 HG22 THR A 95 12.309 42.213 2.203 1.00 0.00 H new ATOM 0 HG23 THR A 95 13.314 43.519 2.875 1.00 0.00 H new ATOM 1380 N HIS A 96 11.262 46.591 3.280 1.00 0.00 N ATOM 1381 CA HIS A 96 11.696 47.956 3.568 1.00 0.00 C ATOM 1382 C HIS A 96 10.992 48.946 2.647 1.00 0.00 C ATOM 1383 O HIS A 96 10.412 48.558 1.632 1.00 0.00 O ATOM 1384 CB HIS A 96 13.212 48.077 3.396 1.00 0.00 C ATOM 1385 CG HIS A 96 13.901 47.404 4.549 1.00 0.00 C ATOM 1386 ND1 HIS A 96 13.905 46.026 4.709 1.00 0.00 N ATOM 1387 CD2 HIS A 96 14.616 47.906 5.610 1.00 0.00 C ATOM 1388 CE1 HIS A 96 14.600 45.750 5.826 1.00 0.00 C ATOM 1389 NE2 HIS A 96 15.056 46.860 6.415 1.00 0.00 N ATOM 0 H HIS A 96 10.782 46.128 4.052 1.00 0.00 H new ATOM 0 HA HIS A 96 11.434 48.189 4.600 1.00 0.00 H new ATOM 0 HB2 HIS A 96 13.520 47.619 2.456 1.00 0.00 H new ATOM 0 HB3 HIS A 96 13.501 49.127 3.348 1.00 0.00 H new ATOM 0 HD2 HIS A 96 14.807 48.953 5.791 1.00 0.00 H new ATOM 0 HE1 HIS A 96 14.770 44.752 6.202 1.00 0.00 H new ATOM 0 HE2 HIS A 96 15.608 46.926 7.270 1.00 0.00 H new ATOM 1397 N ASP A 97 11.040 50.224 3.009 1.00 0.00 N ATOM 1398 CA ASP A 97 10.394 51.255 2.205 1.00 0.00 C ATOM 1399 C ASP A 97 11.423 52.198 1.589 1.00 0.00 C ATOM 1400 O ASP A 97 12.257 52.769 2.291 1.00 0.00 O ATOM 1401 CB ASP A 97 9.420 52.057 3.069 1.00 0.00 C ATOM 1402 CG ASP A 97 10.185 53.077 3.908 1.00 0.00 C ATOM 1403 OD1 ASP A 97 10.892 52.661 4.811 1.00 0.00 O ATOM 1404 OD2 ASP A 97 10.051 54.259 3.636 1.00 0.00 O ATOM 0 H ASP A 97 11.514 50.568 3.844 1.00 0.00 H new ATOM 0 HA ASP A 97 9.850 50.762 1.399 1.00 0.00 H new ATOM 0 HB2 ASP A 97 8.694 52.566 2.436 1.00 0.00 H new ATOM 0 HB3 ASP A 97 8.860 51.385 3.720 1.00 0.00 H new ATOM 1409 N ASN A 98 11.345 52.365 0.273 1.00 0.00 N ATOM 1410 CA ASN A 98 12.258 53.252 -0.435 1.00 0.00 C ATOM 1411 C ASN A 98 13.703 52.795 -0.284 1.00 0.00 C ATOM 1412 O ASN A 98 13.991 51.822 0.413 1.00 0.00 O ATOM 1413 CB ASN A 98 12.119 54.673 0.111 1.00 0.00 C ATOM 1414 CG ASN A 98 12.379 55.688 -0.996 1.00 0.00 C ATOM 1415 OD1 ASN A 98 13.510 55.820 -1.464 1.00 0.00 O ATOM 1416 ND2 ASN A 98 11.394 56.415 -1.444 1.00 0.00 N ATOM 0 H ASN A 98 10.661 51.899 -0.323 1.00 0.00 H new ATOM 0 HA ASN A 98 11.999 53.229 -1.493 1.00 0.00 H new ATOM 0 HB2 ASN A 98 11.119 54.817 0.520 1.00 0.00 H new ATOM 0 HB3 ASN A 98 12.823 54.827 0.929 1.00 0.00 H new ATOM 0 HD21 ASN A 98 11.559 57.096 -2.185 1.00 0.00 H new ATOM 0 HD22 ASN A 98 10.458 56.303 -1.054 1.00 0.00 H new ATOM 1423 N LYS A 99 14.605 53.516 -0.944 1.00 0.00 N ATOM 1424 CA LYS A 99 16.029 53.207 -0.888 1.00 0.00 C ATOM 1425 C LYS A 99 16.279 51.721 -1.138 1.00 0.00 C ATOM 1426 O LYS A 99 17.405 51.241 -1.015 1.00 0.00 O ATOM 1427 CB LYS A 99 16.594 53.627 0.477 1.00 0.00 C ATOM 1428 CG LYS A 99 16.816 52.402 1.372 1.00 0.00 C ATOM 1429 CD LYS A 99 16.849 52.842 2.837 1.00 0.00 C ATOM 1430 CE LYS A 99 15.427 53.154 3.313 1.00 0.00 C ATOM 1431 NZ LYS A 99 15.234 52.620 4.691 1.00 0.00 N ATOM 0 H LYS A 99 14.373 54.321 -1.526 1.00 0.00 H new ATOM 0 HA LYS A 99 16.538 53.765 -1.674 1.00 0.00 H new ATOM 0 HB2 LYS A 99 17.536 54.158 0.339 1.00 0.00 H new ATOM 0 HB3 LYS A 99 15.907 54.319 0.963 1.00 0.00 H new ATOM 0 HG2 LYS A 99 16.018 51.675 1.217 1.00 0.00 H new ATOM 0 HG3 LYS A 99 17.752 51.910 1.108 1.00 0.00 H new ATOM 0 HD2 LYS A 99 17.285 52.056 3.453 1.00 0.00 H new ATOM 0 HD3 LYS A 99 17.482 53.722 2.948 1.00 0.00 H new ATOM 0 HE2 LYS A 99 15.257 54.231 3.302 1.00 0.00 H new ATOM 0 HE3 LYS A 99 14.699 52.709 2.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 14.268 52.832 5.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 15.379 51.590 4.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 15.919 53.064 5.335 1.00 0.00 H new ATOM 1445 N ASP A 100 15.226 50.996 -1.480 1.00 0.00 N ATOM 1446 CA ASP A 100 15.356 49.568 -1.736 1.00 0.00 C ATOM 1447 C ASP A 100 16.497 49.304 -2.715 1.00 0.00 C ATOM 1448 O ASP A 100 16.943 48.168 -2.874 1.00 0.00 O ATOM 1449 CB ASP A 100 14.049 49.021 -2.315 1.00 0.00 C ATOM 1450 CG ASP A 100 12.884 49.378 -1.399 1.00 0.00 C ATOM 1451 OD1 ASP A 100 13.085 49.387 -0.195 1.00 0.00 O ATOM 1452 OD2 ASP A 100 11.808 49.636 -1.912 1.00 0.00 O ATOM 0 H ASP A 100 14.281 51.366 -1.586 1.00 0.00 H new ATOM 0 HA ASP A 100 15.574 49.065 -0.794 1.00 0.00 H new ATOM 0 HB2 ASP A 100 13.881 49.435 -3.309 1.00 0.00 H new ATOM 0 HB3 ASP A 100 14.116 47.939 -2.427 1.00 0.00 H new ATOM 1457 N ASP A 101 16.952 50.362 -3.381 1.00 0.00 N ATOM 1458 CA ASP A 101 18.026 50.229 -4.361 1.00 0.00 C ATOM 1459 C ASP A 101 19.336 49.800 -3.710 1.00 0.00 C ATOM 1460 O ASP A 101 19.853 48.708 -3.986 1.00 0.00 O ATOM 1461 CB ASP A 101 18.229 51.570 -5.062 1.00 0.00 C ATOM 1462 CG ASP A 101 18.305 51.365 -6.571 1.00 0.00 C ATOM 1463 OD1 ASP A 101 17.570 50.531 -7.073 1.00 0.00 O ATOM 1464 OD2 ASP A 101 19.096 52.047 -7.204 1.00 0.00 O ATOM 0 H ASP A 101 16.598 51.311 -3.262 1.00 0.00 H new ATOM 0 HA ASP A 101 17.739 49.459 -5.077 1.00 0.00 H new ATOM 0 HB2 ASP A 101 17.408 52.244 -4.819 1.00 0.00 H new ATOM 0 HB3 ASP A 101 19.144 52.041 -4.704 1.00 0.00 H new ATOM 1469 N LEU A 102 19.872 50.637 -2.824 1.00 0.00 N ATOM 1470 CA LEU A 102 21.111 50.273 -2.162 1.00 0.00 C ATOM 1471 C LEU A 102 20.817 49.359 -0.999 1.00 0.00 C ATOM 1472 O LEU A 102 21.696 48.677 -0.531 1.00 0.00 O ATOM 1473 CB LEU A 102 21.951 51.486 -1.701 1.00 0.00 C ATOM 1474 CG LEU A 102 21.145 52.481 -0.852 1.00 0.00 C ATOM 1475 CD1 LEU A 102 19.994 53.058 -1.671 1.00 0.00 C ATOM 1476 CD2 LEU A 102 20.604 51.793 0.401 1.00 0.00 C ATOM 0 H LEU A 102 19.480 51.540 -2.558 1.00 0.00 H new ATOM 0 HA LEU A 102 21.721 49.755 -2.902 1.00 0.00 H new ATOM 0 HB2 LEU A 102 22.805 51.132 -1.124 1.00 0.00 H new ATOM 0 HB3 LEU A 102 22.348 52.001 -2.576 1.00 0.00 H new ATOM 0 HG LEU A 102 21.804 53.294 -0.548 1.00 0.00 H new ATOM 0 HD11 LEU A 102 19.429 53.762 -1.060 1.00 0.00 H new ATOM 0 HD12 LEU A 102 20.392 53.574 -2.545 1.00 0.00 H new ATOM 0 HD13 LEU A 102 19.337 52.251 -1.995 1.00 0.00 H new ATOM 0 HD21 LEU A 102 20.035 52.510 0.993 1.00 0.00 H new ATOM 0 HD22 LEU A 102 19.956 50.966 0.111 1.00 0.00 H new ATOM 0 HD23 LEU A 102 21.435 51.411 0.994 1.00 0.00 H new ATOM 1488 N GLN A 103 19.572 49.321 -0.553 1.00 0.00 N ATOM 1489 CA GLN A 103 19.218 48.439 0.547 1.00 0.00 C ATOM 1490 C GLN A 103 19.243 47.015 0.056 1.00 0.00 C ATOM 1491 O GLN A 103 19.651 46.094 0.765 1.00 0.00 O ATOM 1492 CB GLN A 103 17.827 48.774 1.078 1.00 0.00 C ATOM 1493 CG GLN A 103 17.947 49.366 2.484 1.00 0.00 C ATOM 1494 CD GLN A 103 18.024 48.245 3.515 1.00 0.00 C ATOM 1495 OE1 GLN A 103 17.633 48.431 4.667 1.00 0.00 O ATOM 1496 NE2 GLN A 103 18.509 47.084 3.166 1.00 0.00 N ATOM 0 H GLN A 103 18.804 49.878 -0.926 1.00 0.00 H new ATOM 0 HA GLN A 103 19.936 48.570 1.357 1.00 0.00 H new ATOM 0 HB2 GLN A 103 17.334 49.484 0.414 1.00 0.00 H new ATOM 0 HB3 GLN A 103 17.209 47.876 1.101 1.00 0.00 H new ATOM 0 HG2 GLN A 103 18.836 49.993 2.549 1.00 0.00 H new ATOM 0 HG3 GLN A 103 17.090 50.006 2.693 1.00 0.00 H new ATOM 0 HE21 GLN A 103 18.832 46.933 2.210 1.00 0.00 H new ATOM 0 HE22 GLN A 103 18.565 46.328 3.849 1.00 0.00 H new ATOM 1505 N ALA A 104 18.806 46.855 -1.172 1.00 0.00 N ATOM 1506 CA ALA A 104 18.771 45.556 -1.788 1.00 0.00 C ATOM 1507 C ALA A 104 20.176 45.124 -2.181 1.00 0.00 C ATOM 1508 O ALA A 104 20.606 44.021 -1.848 1.00 0.00 O ATOM 1509 CB ALA A 104 17.856 45.587 -3.009 1.00 0.00 C ATOM 0 H ALA A 104 18.469 47.615 -1.763 1.00 0.00 H new ATOM 0 HA ALA A 104 18.377 44.832 -1.075 1.00 0.00 H new ATOM 0 HB1 ALA A 104 17.833 44.600 -3.472 1.00 0.00 H new ATOM 0 HB2 ALA A 104 16.848 45.867 -2.702 1.00 0.00 H new ATOM 0 HB3 ALA A 104 18.232 46.316 -3.727 1.00 0.00 H new ATOM 1515 N ALA A 105 20.902 46.004 -2.866 1.00 0.00 N ATOM 1516 CA ALA A 105 22.269 45.678 -3.253 1.00 0.00 C ATOM 1517 C ALA A 105 23.116 45.506 -1.994 1.00 0.00 C ATOM 1518 O ALA A 105 23.842 44.518 -1.836 1.00 0.00 O ATOM 1519 CB ALA A 105 22.851 46.792 -4.124 1.00 0.00 C ATOM 0 H ALA A 105 20.576 46.925 -3.158 1.00 0.00 H new ATOM 0 HA ALA A 105 22.272 44.752 -3.827 1.00 0.00 H new ATOM 0 HB1 ALA A 105 23.872 46.537 -4.407 1.00 0.00 H new ATOM 0 HB2 ALA A 105 22.244 46.907 -5.022 1.00 0.00 H new ATOM 0 HB3 ALA A 105 22.852 47.728 -3.565 1.00 0.00 H new ATOM 1525 N ILE A 106 22.997 46.476 -1.092 1.00 0.00 N ATOM 1526 CA ILE A 106 23.728 46.452 0.169 1.00 0.00 C ATOM 1527 C ILE A 106 23.483 45.157 0.913 1.00 0.00 C ATOM 1528 O ILE A 106 24.413 44.532 1.397 1.00 0.00 O ATOM 1529 CB ILE A 106 23.283 47.595 1.064 1.00 0.00 C ATOM 1530 CG1 ILE A 106 23.817 48.927 0.520 1.00 0.00 C ATOM 1531 CG2 ILE A 106 23.830 47.370 2.470 1.00 0.00 C ATOM 1532 CD1 ILE A 106 25.223 49.181 1.066 1.00 0.00 C ATOM 0 H ILE A 106 22.398 47.292 -1.213 1.00 0.00 H new ATOM 0 HA ILE A 106 24.787 46.548 -0.070 1.00 0.00 H new ATOM 0 HB ILE A 106 22.194 47.630 1.088 1.00 0.00 H new ATOM 0 HG12 ILE A 106 23.838 48.903 -0.570 1.00 0.00 H new ATOM 0 HG13 ILE A 106 23.152 49.741 0.808 1.00 0.00 H new ATOM 0 HG21 ILE A 106 23.514 48.187 3.118 1.00 0.00 H new ATOM 0 HG22 ILE A 106 23.448 46.427 2.862 1.00 0.00 H new ATOM 0 HG23 ILE A 106 24.919 47.334 2.435 1.00 0.00 H new ATOM 0 HD11 ILE A 106 25.599 50.128 0.677 1.00 0.00 H new ATOM 0 HD12 ILE A 106 25.188 49.224 2.155 1.00 0.00 H new ATOM 0 HD13 ILE A 106 25.885 48.373 0.756 1.00 0.00 H new ATOM 1544 N ALA A 107 22.216 44.780 1.023 1.00 0.00 N ATOM 1545 CA ALA A 107 21.850 43.566 1.738 1.00 0.00 C ATOM 1546 C ALA A 107 22.289 42.325 0.970 1.00 0.00 C ATOM 1547 O ALA A 107 22.663 41.315 1.566 1.00 0.00 O ATOM 1548 CB ALA A 107 20.340 43.533 1.947 1.00 0.00 C ATOM 0 H ALA A 107 21.429 45.295 0.628 1.00 0.00 H new ATOM 0 HA ALA A 107 22.357 43.568 2.703 1.00 0.00 H new ATOM 0 HB1 ALA A 107 20.067 42.624 2.482 1.00 0.00 H new ATOM 0 HB2 ALA A 107 20.034 44.403 2.529 1.00 0.00 H new ATOM 0 HB3 ALA A 107 19.838 43.549 0.979 1.00 0.00 H new ATOM 1554 N LEU A 108 22.239 42.405 -0.353 1.00 0.00 N ATOM 1555 CA LEU A 108 22.636 41.279 -1.188 1.00 0.00 C ATOM 1556 C LEU A 108 24.142 41.065 -1.102 1.00 0.00 C ATOM 1557 O LEU A 108 24.642 39.973 -1.375 1.00 0.00 O ATOM 1558 CB LEU A 108 22.234 41.541 -2.640 1.00 0.00 C ATOM 1559 CG LEU A 108 22.454 40.275 -3.470 1.00 0.00 C ATOM 1560 CD1 LEU A 108 21.114 39.571 -3.689 1.00 0.00 C ATOM 1561 CD2 LEU A 108 23.057 40.653 -4.824 1.00 0.00 C ATOM 0 H LEU A 108 21.930 43.230 -0.868 1.00 0.00 H new ATOM 0 HA LEU A 108 22.130 40.382 -0.831 1.00 0.00 H new ATOM 0 HB2 LEU A 108 21.188 41.843 -2.689 1.00 0.00 H new ATOM 0 HB3 LEU A 108 22.823 42.363 -3.048 1.00 0.00 H new ATOM 0 HG LEU A 108 23.134 39.607 -2.942 1.00 0.00 H new ATOM 0 HD11 LEU A 108 21.269 38.669 -4.280 1.00 0.00 H new ATOM 0 HD12 LEU A 108 20.682 39.303 -2.725 1.00 0.00 H new ATOM 0 HD13 LEU A 108 20.434 40.239 -4.218 1.00 0.00 H new ATOM 0 HD21 LEU A 108 23.214 39.752 -5.417 1.00 0.00 H new ATOM 0 HD22 LEU A 108 22.376 41.320 -5.352 1.00 0.00 H new ATOM 0 HD23 LEU A 108 24.011 41.157 -4.669 1.00 0.00 H new ATOM 1573 N SER A 109 24.859 42.119 -0.730 1.00 0.00 N ATOM 1574 CA SER A 109 26.313 42.045 -0.619 1.00 0.00 C ATOM 1575 C SER A 109 26.757 42.040 0.840 1.00 0.00 C ATOM 1576 O SER A 109 27.884 41.660 1.160 1.00 0.00 O ATOM 1577 CB SER A 109 26.924 43.250 -1.319 1.00 0.00 C ATOM 1578 OG SER A 109 27.540 42.833 -2.531 1.00 0.00 O ATOM 0 H SER A 109 24.462 43.030 -0.501 1.00 0.00 H new ATOM 0 HA SER A 109 26.648 41.118 -1.084 1.00 0.00 H new ATOM 0 HB2 SER A 109 26.153 43.992 -1.527 1.00 0.00 H new ATOM 0 HB3 SER A 109 27.659 43.727 -0.670 1.00 0.00 H new ATOM 0 HG SER A 109 27.932 43.609 -2.983 1.00 0.00 H new ATOM 1584 N LEU A 110 25.869 42.483 1.709 1.00 0.00 N ATOM 1585 CA LEU A 110 26.163 42.554 3.134 1.00 0.00 C ATOM 1586 C LEU A 110 25.719 41.278 3.825 1.00 0.00 C ATOM 1587 O LEU A 110 26.258 40.891 4.861 1.00 0.00 O ATOM 1588 CB LEU A 110 25.429 43.751 3.749 1.00 0.00 C ATOM 1589 CG LEU A 110 25.493 43.662 5.272 1.00 0.00 C ATOM 1590 CD1 LEU A 110 26.954 43.653 5.716 1.00 0.00 C ATOM 1591 CD2 LEU A 110 24.778 44.871 5.877 1.00 0.00 C ATOM 0 H LEU A 110 24.934 42.801 1.455 1.00 0.00 H new ATOM 0 HA LEU A 110 27.238 42.674 3.268 1.00 0.00 H new ATOM 0 HB2 LEU A 110 25.882 44.682 3.409 1.00 0.00 H new ATOM 0 HB3 LEU A 110 24.390 43.763 3.418 1.00 0.00 H new ATOM 0 HG LEU A 110 25.007 42.747 5.610 1.00 0.00 H new ATOM 0 HD11 LEU A 110 27.004 43.590 6.803 1.00 0.00 H new ATOM 0 HD12 LEU A 110 27.462 42.793 5.279 1.00 0.00 H new ATOM 0 HD13 LEU A 110 27.441 44.570 5.384 1.00 0.00 H new ATOM 0 HD21 LEU A 110 24.821 44.812 6.965 1.00 0.00 H new ATOM 0 HD22 LEU A 110 25.266 45.787 5.544 1.00 0.00 H new ATOM 0 HD23 LEU A 110 23.737 44.877 5.555 1.00 0.00 H new ATOM 1603 N LEU A 111 24.722 40.639 3.241 1.00 0.00 N ATOM 1604 CA LEU A 111 24.182 39.403 3.804 1.00 0.00 C ATOM 1605 C LEU A 111 24.835 38.181 3.174 1.00 0.00 C ATOM 1606 O LEU A 111 24.879 37.108 3.773 1.00 0.00 O ATOM 1607 CB LEU A 111 22.671 39.343 3.587 1.00 0.00 C ATOM 1608 CG LEU A 111 22.020 38.560 4.729 1.00 0.00 C ATOM 1609 CD1 LEU A 111 21.585 39.528 5.831 1.00 0.00 C ATOM 1610 CD2 LEU A 111 20.796 37.811 4.197 1.00 0.00 C ATOM 0 H LEU A 111 24.268 40.949 2.382 1.00 0.00 H new ATOM 0 HA LEU A 111 24.398 39.399 4.872 1.00 0.00 H new ATOM 0 HB2 LEU A 111 22.259 40.351 3.543 1.00 0.00 H new ATOM 0 HB3 LEU A 111 22.449 38.866 2.632 1.00 0.00 H new ATOM 0 HG LEU A 111 22.737 37.847 5.136 1.00 0.00 H new ATOM 0 HD11 LEU A 111 21.121 38.969 6.644 1.00 0.00 H new ATOM 0 HD12 LEU A 111 22.456 40.064 6.209 1.00 0.00 H new ATOM 0 HD13 LEU A 111 20.868 40.242 5.426 1.00 0.00 H new ATOM 0 HD21 LEU A 111 20.330 37.252 5.009 1.00 0.00 H new ATOM 0 HD22 LEU A 111 20.080 38.526 3.791 1.00 0.00 H new ATOM 0 HD23 LEU A 111 21.105 37.121 3.412 1.00 0.00 H new ATOM 1622 N GLU A 112 25.335 38.353 1.966 1.00 0.00 N ATOM 1623 CA GLU A 112 25.984 37.255 1.258 1.00 0.00 C ATOM 1624 C GLU A 112 27.496 37.335 1.406 1.00 0.00 C ATOM 1625 O GLU A 112 28.204 36.346 1.221 1.00 0.00 O ATOM 1626 CB GLU A 112 25.609 37.294 -0.224 1.00 0.00 C ATOM 1627 CG GLU A 112 25.125 35.914 -0.666 1.00 0.00 C ATOM 1628 CD GLU A 112 24.863 35.912 -2.168 1.00 0.00 C ATOM 1629 OE1 GLU A 112 23.988 36.644 -2.598 1.00 0.00 O ATOM 1630 OE2 GLU A 112 25.543 35.178 -2.866 1.00 0.00 O ATOM 0 H GLU A 112 25.307 39.234 1.453 1.00 0.00 H new ATOM 0 HA GLU A 112 25.641 36.317 1.694 1.00 0.00 H new ATOM 0 HB2 GLU A 112 24.828 38.036 -0.393 1.00 0.00 H new ATOM 0 HB3 GLU A 112 26.470 37.597 -0.820 1.00 0.00 H new ATOM 0 HG2 GLU A 112 25.872 35.160 -0.417 1.00 0.00 H new ATOM 0 HG3 GLU A 112 24.214 35.649 -0.129 1.00 0.00 H new ATOM 1637 N SER A 113 27.978 38.518 1.744 1.00 0.00 N ATOM 1638 CA SER A 113 29.409 38.727 1.920 1.00 0.00 C ATOM 1639 C SER A 113 29.671 39.988 2.738 1.00 0.00 C ATOM 1640 O SER A 113 28.755 40.762 3.015 1.00 0.00 O ATOM 1641 CB SER A 113 30.091 38.847 0.555 1.00 0.00 C ATOM 1642 OG SER A 113 31.082 37.833 0.435 1.00 0.00 O ATOM 0 H SER A 113 27.405 39.347 1.902 1.00 0.00 H new ATOM 0 HA SER A 113 29.819 37.871 2.456 1.00 0.00 H new ATOM 0 HB2 SER A 113 29.355 38.748 -0.242 1.00 0.00 H new ATOM 0 HB3 SER A 113 30.546 39.832 0.448 1.00 0.00 H new ATOM 0 HG SER A 113 31.520 37.905 -0.439 1.00 0.00 H new ATOM 1648 N PRO A 114 30.900 40.203 3.122 1.00 0.00 N ATOM 1649 CA PRO A 114 31.294 41.396 3.923 1.00 0.00 C ATOM 1650 C PRO A 114 30.752 42.691 3.325 1.00 0.00 C ATOM 1651 O PRO A 114 29.775 42.679 2.575 1.00 0.00 O ATOM 1652 CB PRO A 114 32.824 41.374 3.884 1.00 0.00 C ATOM 1653 CG PRO A 114 33.197 39.951 3.630 1.00 0.00 C ATOM 1654 CD PRO A 114 32.048 39.331 2.832 1.00 0.00 C ATOM 0 HA PRO A 114 30.891 41.360 4.935 1.00 0.00 H new ATOM 0 HB2 PRO A 114 33.206 42.026 3.098 1.00 0.00 H new ATOM 0 HB3 PRO A 114 33.246 41.728 4.825 1.00 0.00 H new ATOM 0 HG2 PRO A 114 34.132 39.889 3.073 1.00 0.00 H new ATOM 0 HG3 PRO A 114 33.349 39.417 4.568 1.00 0.00 H new ATOM 0 HD2 PRO A 114 32.271 39.307 1.765 1.00 0.00 H new ATOM 0 HD3 PRO A 114 31.857 38.303 3.141 1.00 0.00 H new ATOM 1662 N LYS A 115 31.390 43.807 3.658 1.00 0.00 N ATOM 1663 CA LYS A 115 30.961 45.102 3.144 1.00 0.00 C ATOM 1664 C LYS A 115 31.858 45.540 1.990 1.00 0.00 C ATOM 1665 O LYS A 115 31.966 44.849 0.978 1.00 0.00 O ATOM 1666 CB LYS A 115 31.005 46.148 4.260 1.00 0.00 C ATOM 1667 CG LYS A 115 32.374 46.107 4.946 1.00 0.00 C ATOM 1668 CD LYS A 115 32.187 45.988 6.460 1.00 0.00 C ATOM 1669 CE LYS A 115 31.663 47.313 7.018 1.00 0.00 C ATOM 1670 NZ LYS A 115 31.796 47.315 8.504 1.00 0.00 N ATOM 0 H LYS A 115 32.200 43.842 4.277 1.00 0.00 H new ATOM 0 HA LYS A 115 29.938 45.010 2.778 1.00 0.00 H new ATOM 0 HB2 LYS A 115 30.822 47.141 3.849 1.00 0.00 H new ATOM 0 HB3 LYS A 115 30.216 45.953 4.987 1.00 0.00 H new ATOM 0 HG2 LYS A 115 32.953 45.262 4.574 1.00 0.00 H new ATOM 0 HG3 LYS A 115 32.938 47.009 4.709 1.00 0.00 H new ATOM 0 HD2 LYS A 115 31.488 45.184 6.688 1.00 0.00 H new ATOM 0 HD3 LYS A 115 33.134 45.731 6.935 1.00 0.00 H new ATOM 0 HE2 LYS A 115 32.222 48.146 6.591 1.00 0.00 H new ATOM 0 HE3 LYS A 115 30.619 47.451 6.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 31.440 48.216 8.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 31.244 46.529 8.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 32.797 47.202 8.763 1.00 0.00 H new ATOM 1684 N ILE A 116 32.503 46.690 2.152 1.00 0.00 N ATOM 1685 CA ILE A 116 33.391 47.208 1.117 1.00 0.00 C ATOM 1686 C ILE A 116 34.806 47.366 1.664 1.00 0.00 C ATOM 1687 O ILE A 116 34.997 47.515 2.871 1.00 0.00 O ATOM 1688 CB ILE A 116 32.878 48.561 0.618 1.00 0.00 C ATOM 1689 CG1 ILE A 116 31.530 48.865 1.274 1.00 0.00 C ATOM 1690 CG2 ILE A 116 32.703 48.517 -0.902 1.00 0.00 C ATOM 1691 CD1 ILE A 116 30.867 50.042 0.556 1.00 0.00 C ATOM 0 H ILE A 116 32.429 47.277 2.983 1.00 0.00 H new ATOM 0 HA ILE A 116 33.409 46.501 0.288 1.00 0.00 H new ATOM 0 HB ILE A 116 33.597 49.338 0.877 1.00 0.00 H new ATOM 0 HG12 ILE A 116 30.885 47.987 1.228 1.00 0.00 H new ATOM 0 HG13 ILE A 116 31.672 49.102 2.328 1.00 0.00 H new ATOM 0 HG21 ILE A 116 32.338 49.482 -1.254 1.00 0.00 H new ATOM 0 HG22 ILE A 116 33.662 48.298 -1.372 1.00 0.00 H new ATOM 0 HG23 ILE A 116 31.985 47.740 -1.163 1.00 0.00 H new ATOM 0 HD11 ILE A 116 29.906 50.259 1.023 1.00 0.00 H new ATOM 0 HD12 ILE A 116 31.510 50.919 0.625 1.00 0.00 H new ATOM 0 HD13 ILE A 116 30.711 49.788 -0.492 1.00 0.00 H new ATOM 1703 N GLN A 117 35.791 47.329 0.768 1.00 0.00 N ATOM 1704 CA GLN A 117 37.191 47.468 1.165 1.00 0.00 C ATOM 1705 C GLN A 117 37.304 48.163 2.519 1.00 0.00 C ATOM 1706 O GLN A 117 37.424 49.387 2.591 1.00 0.00 O ATOM 1707 CB GLN A 117 37.964 48.269 0.112 1.00 0.00 C ATOM 1708 CG GLN A 117 37.072 48.526 -1.104 1.00 0.00 C ATOM 1709 CD GLN A 117 37.758 49.499 -2.057 1.00 0.00 C ATOM 1710 OE1 GLN A 117 37.140 50.458 -2.518 1.00 0.00 O ATOM 1711 NE2 GLN A 117 39.008 49.307 -2.381 1.00 0.00 N ATOM 0 H GLN A 117 35.646 47.204 -0.234 1.00 0.00 H new ATOM 0 HA GLN A 117 37.620 46.469 1.246 1.00 0.00 H new ATOM 0 HB2 GLN A 117 38.298 49.216 0.536 1.00 0.00 H new ATOM 0 HB3 GLN A 117 38.857 47.722 -0.190 1.00 0.00 H new ATOM 0 HG2 GLN A 117 36.863 47.587 -1.617 1.00 0.00 H new ATOM 0 HG3 GLN A 117 36.113 48.933 -0.783 1.00 0.00 H new ATOM 0 HE21 GLN A 117 39.518 48.511 -1.997 1.00 0.00 H new ATOM 0 HE22 GLN A 117 39.475 49.953 -3.018 1.00 0.00 H new ATOM 1720 N ALA A 118 37.261 47.375 3.588 1.00 0.00 N ATOM 1721 CA ALA A 118 37.358 47.924 4.936 1.00 0.00 C ATOM 1722 C ALA A 118 36.565 49.223 5.043 1.00 0.00 C ATOM 1723 O ALA A 118 35.416 49.298 4.609 1.00 0.00 O ATOM 1724 CB ALA A 118 38.821 48.185 5.289 1.00 0.00 C ATOM 0 H ALA A 118 37.160 46.361 3.548 1.00 0.00 H new ATOM 0 HA ALA A 118 36.941 47.199 5.635 1.00 0.00 H new ATOM 0 HB1 ALA A 118 38.885 48.595 6.297 1.00 0.00 H new ATOM 0 HB2 ALA A 118 39.379 47.250 5.242 1.00 0.00 H new ATOM 0 HB3 ALA A 118 39.245 48.897 4.581 1.00 0.00 H new ATOM 1730 N ASP A 119 37.189 50.242 5.624 1.00 0.00 N ATOM 1731 CA ASP A 119 36.535 51.536 5.783 1.00 0.00 C ATOM 1732 C ASP A 119 37.352 52.630 5.103 1.00 0.00 C ATOM 1733 O ASP A 119 36.818 53.674 4.726 1.00 0.00 O ATOM 1734 CB ASP A 119 36.376 51.865 7.269 1.00 0.00 C ATOM 1735 CG ASP A 119 34.931 51.634 7.700 1.00 0.00 C ATOM 1736 OD1 ASP A 119 34.476 50.507 7.598 1.00 0.00 O ATOM 1737 OD2 ASP A 119 34.302 52.588 8.125 1.00 0.00 O ATOM 0 H ASP A 119 38.140 50.198 5.990 1.00 0.00 H new ATOM 0 HA ASP A 119 35.551 51.486 5.317 1.00 0.00 H new ATOM 0 HB2 ASP A 119 37.046 51.242 7.862 1.00 0.00 H new ATOM 0 HB3 ASP A 119 36.658 52.902 7.453 1.00 0.00 H new ATOM 1742 N GLY A 120 38.649 52.383 4.952 1.00 0.00 N ATOM 1743 CA GLY A 120 39.533 53.353 4.316 1.00 0.00 C ATOM 1744 C GLY A 120 40.994 52.943 4.477 1.00 0.00 C ATOM 1745 O GLY A 120 41.418 52.044 3.770 1.00 0.00 O ATOM 0 H GLY A 120 39.109 51.526 5.259 1.00 0.00 H new ATOM 0 HA2 GLY A 120 39.288 53.435 3.257 1.00 0.00 H new ATOM 0 HA3 GLY A 120 39.376 54.338 4.756 1.00 0.00 H new TER 1749 GLY A 120