USER MOD reduce.3.24.130724 H: found=0, std=0, add=941, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 795 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 23 HIS : no HE2:sc= -0.169 K(o=-0.37,f=-2.5) USER MOD Set 1.2: A 24 HIS : no HD1:sc= -0.202 X(o=-0.37,f=-0.6) USER MOD Single : A 1 SER N :NH3+ 164:sc= 0.00446 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot -91:sc= -1.43! USER MOD Single : A 14 CYS SG : rot -50:sc= -9.45! USER MOD Single : A 18 THR OG1 : rot 180:sc= 0.00209 USER MOD Single : A 25 THR OG1 : rot 140:sc= -2.67! USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -4.78! K(o=-4.8!,f=-2.5) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -3.35! X(o=-3.4!,f=-2.9) USER MOD Single : A 36 SER OG : rot 134:sc= -1.99 USER MOD Single : A 39 LYS NZ :NH3+ -172:sc= -0.153 (180deg=-0.319) USER MOD Single : A 44 HIS : no HE2:sc= -11.5! C(o=-12!,f=-12!) USER MOD Single : A 48 ASN : amide:sc= -3.76 K(o=-3.8,f=-8.5!) USER MOD Single : A 53 SER OG : rot 180:sc= -0.0283 USER MOD Single : A 55 MET CE :methyl -165:sc= -20.8! (180deg=-22.1!) USER MOD Single : A 57 SER OG : rot 180:sc= -2.07! USER MOD Single : A 58 SER OG : rot -130:sc= -0.526 USER MOD Single : A 67 TYR OH : rot 12:sc= -4.1! USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.027 X(o=-0.027,f=-0.027) USER MOD Single : A 71 LYS NZ :NH3+ -116:sc= 0.537 (180deg=-3.74!) USER MOD Single : A 72 GLN : amide:sc= -0.304 K(o=-0.3,f=-2.3!) USER MOD Single : A 77 MET CE :methyl 144:sc= -6.41! (180deg=-12.4!) USER MOD Single : A 80 CYS SG : rot -70:sc= -9.41! USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 106 GLN : amide:sc= -6.03! C(o=-6!,f=-7!) USER MOD Single : A 107 GLN : amide:sc= -2.1! C(o=-2.1!,f=-3.3!) USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -11.936 -14.410 0.663 1.00 0.00 N ATOM 2 CA SER A 1 -10.603 -14.879 0.328 1.00 0.00 C ATOM 3 C SER A 1 -9.699 -13.690 -0.009 1.00 0.00 C ATOM 4 O SER A 1 -10.158 -12.698 -0.572 1.00 0.00 O ATOM 5 CB SER A 1 -10.642 -15.864 -0.843 1.00 0.00 C ATOM 6 OG SER A 1 -9.900 -17.049 -0.569 1.00 0.00 O ATOM 0 H1 SER A 1 -12.604 -15.206 0.625 1.00 0.00 H new ATOM 0 H2 SER A 1 -11.932 -14.007 1.622 1.00 0.00 H new ATOM 0 H3 SER A 1 -12.228 -13.680 -0.018 1.00 0.00 H new ATOM 0 HA SER A 1 -10.198 -15.402 1.194 1.00 0.00 H new ATOM 0 HB2 SER A 1 -11.677 -16.127 -1.061 1.00 0.00 H new ATOM 0 HB3 SER A 1 -10.240 -15.383 -1.735 1.00 0.00 H new ATOM 0 HG SER A 1 -9.951 -17.652 -1.340 1.00 0.00 H new ATOM 11 N LEU A 2 -8.431 -13.830 0.349 1.00 0.00 N ATOM 12 CA LEU A 2 -7.460 -12.781 0.091 1.00 0.00 C ATOM 13 C LEU A 2 -6.058 -13.392 0.037 1.00 0.00 C ATOM 14 O LEU A 2 -5.734 -14.280 0.824 1.00 0.00 O ATOM 15 CB LEU A 2 -7.602 -11.656 1.119 1.00 0.00 C ATOM 16 CG LEU A 2 -6.389 -10.739 1.281 1.00 0.00 C ATOM 17 CD1 LEU A 2 -6.559 -9.454 0.469 1.00 0.00 C ATOM 18 CD2 LEU A 2 -6.113 -10.451 2.758 1.00 0.00 C ATOM 0 H LEU A 2 -8.054 -14.655 0.816 1.00 0.00 H new ATOM 0 HA LEU A 2 -7.645 -12.320 -0.879 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -8.461 -11.044 0.842 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -7.827 -12.102 2.088 1.00 0.00 H new ATOM 0 HG LEU A 2 -5.515 -11.256 0.884 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -5.682 -8.821 0.603 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -6.670 -9.703 -0.586 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -7.447 -8.922 0.811 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -5.246 -9.797 2.845 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -6.981 -9.964 3.202 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -5.916 -11.387 3.280 1.00 0.00 H new ATOM 29 N GLY A 3 -5.265 -12.891 -0.898 1.00 0.00 N ATOM 30 CA GLY A 3 -3.906 -13.375 -1.065 1.00 0.00 C ATOM 31 C GLY A 3 -2.909 -12.475 -0.333 1.00 0.00 C ATOM 32 O GLY A 3 -3.296 -11.688 0.530 1.00 0.00 O ATOM 0 H GLY A 3 -5.538 -12.154 -1.548 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -3.830 -14.393 -0.684 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -3.657 -13.412 -2.126 1.00 0.00 H new ATOM 36 N ILE A 4 -1.645 -12.620 -0.703 1.00 0.00 N ATOM 37 CA ILE A 4 -0.590 -11.831 -0.091 1.00 0.00 C ATOM 38 C ILE A 4 0.753 -12.211 -0.717 1.00 0.00 C ATOM 39 O ILE A 4 1.071 -13.393 -0.843 1.00 0.00 O ATOM 40 CB ILE A 4 -0.624 -11.979 1.431 1.00 0.00 C ATOM 41 CG1 ILE A 4 -0.291 -10.653 2.119 1.00 0.00 C ATOM 42 CG2 ILE A 4 0.297 -13.111 1.892 1.00 0.00 C ATOM 43 CD1 ILE A 4 0.694 -9.834 1.282 1.00 0.00 C ATOM 0 H ILE A 4 -1.328 -13.273 -1.420 1.00 0.00 H new ATOM 0 HA ILE A 4 -0.745 -10.770 -0.287 1.00 0.00 H new ATOM 0 HB ILE A 4 -1.638 -12.248 1.725 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -1.205 -10.080 2.275 1.00 0.00 H new ATOM 0 HG13 ILE A 4 0.136 -10.847 3.103 1.00 0.00 H new ATOM 0 HG21 ILE A 4 0.254 -13.195 2.978 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.027 -14.050 1.442 1.00 0.00 H new ATOM 0 HG23 ILE A 4 1.320 -12.896 1.585 1.00 0.00 H new ATOM 0 HD11 ILE A 4 0.914 -8.897 1.793 1.00 0.00 H new ATOM 0 HD12 ILE A 4 1.616 -10.400 1.148 1.00 0.00 H new ATOM 0 HD13 ILE A 4 0.254 -9.621 0.308 1.00 0.00 H new ATOM 54 N ASP A 5 1.506 -11.187 -1.092 1.00 0.00 N ATOM 55 CA ASP A 5 2.808 -11.400 -1.701 1.00 0.00 C ATOM 56 C ASP A 5 3.772 -10.310 -1.228 1.00 0.00 C ATOM 57 O ASP A 5 3.367 -9.169 -1.013 1.00 0.00 O ATOM 58 CB ASP A 5 2.721 -11.324 -3.226 1.00 0.00 C ATOM 59 CG ASP A 5 3.272 -12.546 -3.967 1.00 0.00 C ATOM 60 OD1 ASP A 5 4.488 -12.794 -3.972 1.00 0.00 O ATOM 61 OD2 ASP A 5 2.386 -13.266 -4.564 1.00 0.00 O ATOM 0 H ASP A 5 1.239 -10.208 -0.986 1.00 0.00 H new ATOM 0 HA ASP A 5 3.160 -12.389 -1.408 1.00 0.00 H new ATOM 0 HB2 ASP A 5 1.677 -11.186 -3.509 1.00 0.00 H new ATOM 0 HB3 ASP A 5 3.262 -10.439 -3.562 1.00 0.00 H new ATOM 66 N MET A 6 5.030 -10.700 -1.080 1.00 0.00 N ATOM 67 CA MET A 6 6.054 -9.770 -0.637 1.00 0.00 C ATOM 68 C MET A 6 7.355 -9.975 -1.416 1.00 0.00 C ATOM 69 O MET A 6 7.793 -11.107 -1.613 1.00 0.00 O ATOM 70 CB MET A 6 6.317 -9.973 0.857 1.00 0.00 C ATOM 71 CG MET A 6 5.170 -9.406 1.697 1.00 0.00 C ATOM 72 SD MET A 6 5.328 -9.948 3.390 1.00 0.00 S ATOM 73 CE MET A 6 3.664 -10.520 3.690 1.00 0.00 C ATOM 0 H MET A 6 5.363 -11.647 -1.259 1.00 0.00 H new ATOM 0 HA MET A 6 5.699 -8.755 -0.818 1.00 0.00 H new ATOM 0 HB2 MET A 6 6.436 -11.036 1.068 1.00 0.00 H new ATOM 0 HB3 MET A 6 7.252 -9.486 1.135 1.00 0.00 H new ATOM 0 HG2 MET A 6 5.180 -8.317 1.653 1.00 0.00 H new ATOM 0 HG3 MET A 6 4.213 -9.733 1.289 1.00 0.00 H new ATOM 0 HE1 MET A 6 3.587 -10.895 4.710 1.00 0.00 H new ATOM 0 HE2 MET A 6 2.965 -9.695 3.553 1.00 0.00 H new ATOM 0 HE3 MET A 6 3.422 -11.320 2.990 1.00 0.00 H new ATOM 81 N ASN A 7 7.936 -8.861 -1.837 1.00 0.00 N ATOM 82 CA ASN A 7 9.178 -8.904 -2.591 1.00 0.00 C ATOM 83 C ASN A 7 10.087 -7.762 -2.132 1.00 0.00 C ATOM 84 O ASN A 7 9.630 -6.820 -1.487 1.00 0.00 O ATOM 85 CB ASN A 7 8.920 -8.730 -4.089 1.00 0.00 C ATOM 86 CG ASN A 7 9.296 -9.996 -4.861 1.00 0.00 C ATOM 87 OD1 ASN A 7 8.522 -10.929 -4.991 1.00 0.00 O ATOM 88 ND2 ASN A 7 10.527 -9.976 -5.364 1.00 0.00 N ATOM 0 H ASN A 7 7.570 -7.924 -1.671 1.00 0.00 H new ATOM 0 HA ASN A 7 9.645 -9.873 -2.416 1.00 0.00 H new ATOM 0 HB2 ASN A 7 7.868 -8.497 -4.256 1.00 0.00 H new ATOM 0 HB3 ASN A 7 9.497 -7.885 -4.465 1.00 0.00 H new ATOM 0 HD21 ASN A 7 10.874 -10.774 -5.896 1.00 0.00 H new ATOM 0 HD22 ASN A 7 11.124 -9.162 -5.218 1.00 0.00 H new ATOM 94 N VAL A 8 11.359 -7.884 -2.482 1.00 0.00 N ATOM 95 CA VAL A 8 12.337 -6.874 -2.114 1.00 0.00 C ATOM 96 C VAL A 8 13.097 -6.427 -3.365 1.00 0.00 C ATOM 97 O VAL A 8 13.412 -7.244 -4.229 1.00 0.00 O ATOM 98 CB VAL A 8 13.257 -7.411 -1.016 1.00 0.00 C ATOM 99 CG1 VAL A 8 14.694 -7.544 -1.521 1.00 0.00 C ATOM 100 CG2 VAL A 8 13.193 -6.529 0.232 1.00 0.00 C ATOM 0 H VAL A 8 11.735 -8.667 -3.017 1.00 0.00 H new ATOM 0 HA VAL A 8 11.841 -5.995 -1.702 1.00 0.00 H new ATOM 0 HB VAL A 8 12.906 -8.406 -0.741 1.00 0.00 H new ATOM 0 HG11 VAL A 8 15.327 -7.928 -0.721 1.00 0.00 H new ATOM 0 HG12 VAL A 8 14.720 -8.232 -2.366 1.00 0.00 H new ATOM 0 HG13 VAL A 8 15.061 -6.567 -1.837 1.00 0.00 H new ATOM 0 HG21 VAL A 8 13.856 -6.933 0.997 1.00 0.00 H new ATOM 0 HG22 VAL A 8 13.506 -5.516 -0.022 1.00 0.00 H new ATOM 0 HG23 VAL A 8 12.171 -6.509 0.611 1.00 0.00 H new ATOM 110 N LYS A 9 13.371 -5.132 -3.421 1.00 0.00 N ATOM 111 CA LYS A 9 14.089 -4.568 -4.551 1.00 0.00 C ATOM 112 C LYS A 9 15.001 -3.441 -4.059 1.00 0.00 C ATOM 113 O LYS A 9 14.531 -2.347 -3.751 1.00 0.00 O ATOM 114 CB LYS A 9 13.110 -4.133 -5.644 1.00 0.00 C ATOM 115 CG LYS A 9 11.709 -4.683 -5.375 1.00 0.00 C ATOM 116 CD LYS A 9 11.615 -6.159 -5.766 1.00 0.00 C ATOM 117 CE LYS A 9 10.596 -6.366 -6.889 1.00 0.00 C ATOM 118 NZ LYS A 9 11.167 -7.214 -7.957 1.00 0.00 N ATOM 0 H LYS A 9 13.109 -4.457 -2.702 1.00 0.00 H new ATOM 0 HA LYS A 9 14.730 -5.321 -5.010 1.00 0.00 H new ATOM 0 HB2 LYS A 9 13.074 -3.045 -5.693 1.00 0.00 H new ATOM 0 HB3 LYS A 9 13.462 -4.484 -6.614 1.00 0.00 H new ATOM 0 HG2 LYS A 9 11.465 -4.567 -4.319 1.00 0.00 H new ATOM 0 HG3 LYS A 9 10.974 -4.107 -5.937 1.00 0.00 H new ATOM 0 HD2 LYS A 9 12.593 -6.517 -6.088 1.00 0.00 H new ATOM 0 HD3 LYS A 9 11.329 -6.751 -4.897 1.00 0.00 H new ATOM 0 HE2 LYS A 9 9.695 -6.832 -6.489 1.00 0.00 H new ATOM 0 HE3 LYS A 9 10.300 -5.402 -7.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 10.462 -7.344 -8.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 12.013 -6.755 -8.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 11.427 -8.140 -7.563 1.00 0.00 H new ATOM 127 N GLU A 10 16.289 -3.748 -4.002 1.00 0.00 N ATOM 128 CA GLU A 10 17.270 -2.776 -3.553 1.00 0.00 C ATOM 129 C GLU A 10 17.007 -2.390 -2.096 1.00 0.00 C ATOM 130 O GLU A 10 17.925 -1.994 -1.379 1.00 0.00 O ATOM 131 CB GLU A 10 17.272 -1.541 -4.456 1.00 0.00 C ATOM 132 CG GLU A 10 17.951 -0.357 -3.765 1.00 0.00 C ATOM 133 CD GLU A 10 18.757 0.474 -4.766 1.00 0.00 C ATOM 134 OE1 GLU A 10 18.448 1.655 -4.981 1.00 0.00 O ATOM 135 OE2 GLU A 10 19.735 -0.150 -5.329 1.00 0.00 O ATOM 0 H GLU A 10 16.675 -4.656 -4.259 1.00 0.00 H new ATOM 0 HA GLU A 10 18.258 -3.232 -3.615 1.00 0.00 H new ATOM 0 HB2 GLU A 10 17.790 -1.768 -5.388 1.00 0.00 H new ATOM 0 HB3 GLU A 10 16.248 -1.275 -4.717 1.00 0.00 H new ATOM 0 HG2 GLU A 10 17.198 0.271 -3.288 1.00 0.00 H new ATOM 0 HG3 GLU A 10 18.609 -0.721 -2.976 1.00 0.00 H new ATOM 141 N SER A 11 15.749 -2.519 -1.701 1.00 0.00 N ATOM 142 CA SER A 11 15.353 -2.188 -0.342 1.00 0.00 C ATOM 143 C SER A 11 13.845 -1.939 -0.282 1.00 0.00 C ATOM 144 O SER A 11 13.297 -1.684 0.789 1.00 0.00 O ATOM 145 CB SER A 11 16.114 -0.963 0.170 1.00 0.00 C ATOM 146 OG SER A 11 16.753 -0.251 -0.886 1.00 0.00 O ATOM 0 H SER A 11 14.990 -2.848 -2.298 1.00 0.00 H new ATOM 0 HA SER A 11 15.601 -3.032 0.302 1.00 0.00 H new ATOM 0 HB2 SER A 11 15.424 -0.298 0.689 1.00 0.00 H new ATOM 0 HB3 SER A 11 16.861 -1.279 0.898 1.00 0.00 H new ATOM 0 HG SER A 11 17.666 -0.588 -1.002 1.00 0.00 H new ATOM 151 N VAL A 12 13.217 -2.023 -1.446 1.00 0.00 N ATOM 152 CA VAL A 12 11.783 -1.810 -1.539 1.00 0.00 C ATOM 153 C VAL A 12 11.059 -3.143 -1.332 1.00 0.00 C ATOM 154 O VAL A 12 11.332 -4.116 -2.032 1.00 0.00 O ATOM 155 CB VAL A 12 11.438 -1.144 -2.873 1.00 0.00 C ATOM 156 CG1 VAL A 12 11.629 -2.117 -4.037 1.00 0.00 C ATOM 157 CG2 VAL A 12 10.015 -0.584 -2.854 1.00 0.00 C ATOM 0 H VAL A 12 13.675 -2.236 -2.332 1.00 0.00 H new ATOM 0 HA VAL A 12 11.446 -1.131 -0.755 1.00 0.00 H new ATOM 0 HB VAL A 12 12.124 -0.310 -3.018 1.00 0.00 H new ATOM 0 HG11 VAL A 12 11.377 -1.619 -4.973 1.00 0.00 H new ATOM 0 HG12 VAL A 12 12.668 -2.446 -4.069 1.00 0.00 H new ATOM 0 HG13 VAL A 12 10.979 -2.981 -3.900 1.00 0.00 H new ATOM 0 HG21 VAL A 12 9.795 -0.116 -3.814 1.00 0.00 H new ATOM 0 HG22 VAL A 12 9.308 -1.394 -2.675 1.00 0.00 H new ATOM 0 HG23 VAL A 12 9.926 0.158 -2.060 1.00 0.00 H new ATOM 167 N LEU A 13 10.151 -3.143 -0.367 1.00 0.00 N ATOM 168 CA LEU A 13 9.387 -4.339 -0.059 1.00 0.00 C ATOM 169 C LEU A 13 8.063 -4.305 -0.827 1.00 0.00 C ATOM 170 O LEU A 13 7.123 -3.625 -0.419 1.00 0.00 O ATOM 171 CB LEU A 13 9.216 -4.491 1.453 1.00 0.00 C ATOM 172 CG LEU A 13 9.836 -3.387 2.313 1.00 0.00 C ATOM 173 CD1 LEU A 13 8.801 -2.315 2.656 1.00 0.00 C ATOM 174 CD2 LEU A 13 10.494 -3.971 3.565 1.00 0.00 C ATOM 0 H LEU A 13 9.928 -2.333 0.212 1.00 0.00 H new ATOM 0 HA LEU A 13 9.924 -5.229 -0.387 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.150 -4.541 1.675 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.650 -5.445 1.754 1.00 0.00 H new ATOM 0 HG LEU A 13 10.622 -2.903 1.734 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.267 -1.542 3.268 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.420 -1.870 1.737 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.978 -2.768 3.208 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.927 -3.165 4.158 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.745 -4.497 4.158 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.279 -4.668 3.272 1.00 0.00 H new ATOM 185 N CYS A 14 8.033 -5.048 -1.923 1.00 0.00 N ATOM 186 CA CYS A 14 6.840 -5.112 -2.751 1.00 0.00 C ATOM 187 C CYS A 14 5.800 -5.972 -2.030 1.00 0.00 C ATOM 188 O CYS A 14 6.134 -7.009 -1.459 1.00 0.00 O ATOM 189 CB CYS A 14 7.152 -5.647 -4.150 1.00 0.00 C ATOM 190 SG CYS A 14 8.877 -5.240 -4.607 1.00 0.00 S ATOM 0 H CYS A 14 8.815 -5.611 -2.257 1.00 0.00 H new ATOM 0 HA CYS A 14 6.441 -4.108 -2.897 1.00 0.00 H new ATOM 0 HB2 CYS A 14 7.005 -6.727 -4.176 1.00 0.00 H new ATOM 0 HB3 CYS A 14 6.463 -5.214 -4.876 1.00 0.00 H new ATOM 0 HG CYS A 14 9.095 -3.976 -4.397 1.00 0.00 H new ATOM 195 N ILE A 15 4.560 -5.507 -2.078 1.00 0.00 N ATOM 196 CA ILE A 15 3.469 -6.221 -1.436 1.00 0.00 C ATOM 197 C ILE A 15 2.325 -6.399 -2.435 1.00 0.00 C ATOM 198 O ILE A 15 1.567 -5.463 -2.692 1.00 0.00 O ATOM 199 CB ILE A 15 3.053 -5.514 -0.145 1.00 0.00 C ATOM 200 CG1 ILE A 15 3.823 -6.067 1.056 1.00 0.00 C ATOM 201 CG2 ILE A 15 1.538 -5.592 0.060 1.00 0.00 C ATOM 202 CD1 ILE A 15 5.321 -5.791 0.921 1.00 0.00 C ATOM 0 H ILE A 15 4.287 -4.646 -2.551 1.00 0.00 H new ATOM 0 HA ILE A 15 3.790 -7.219 -1.137 1.00 0.00 H new ATOM 0 HB ILE A 15 3.312 -4.459 -0.235 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.447 -5.614 1.973 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.653 -7.141 1.138 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.269 -5.082 0.985 1.00 0.00 H new ATOM 0 HG22 ILE A 15 1.032 -5.113 -0.779 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.232 -6.637 0.120 1.00 0.00 H new ATOM 0 HD11 ILE A 15 5.845 -6.194 1.788 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.698 -6.266 0.015 1.00 0.00 H new ATOM 0 HD13 ILE A 15 5.489 -4.716 0.864 1.00 0.00 H new ATOM 213 N ARG A 16 2.233 -7.607 -2.973 1.00 0.00 N ATOM 214 CA ARG A 16 1.194 -7.920 -3.939 1.00 0.00 C ATOM 215 C ARG A 16 0.038 -8.654 -3.256 1.00 0.00 C ATOM 216 O ARG A 16 0.121 -9.856 -3.010 1.00 0.00 O ATOM 217 CB ARG A 16 1.739 -8.787 -5.075 1.00 0.00 C ATOM 218 CG ARG A 16 1.629 -8.065 -6.419 1.00 0.00 C ATOM 219 CD ARG A 16 2.985 -8.011 -7.125 1.00 0.00 C ATOM 220 NE ARG A 16 2.813 -7.543 -8.518 1.00 0.00 N ATOM 221 CZ ARG A 16 2.463 -8.343 -9.548 1.00 0.00 C ATOM 222 NH1 ARG A 16 2.248 -9.661 -9.349 1.00 0.00 N ATOM 223 NH2 ARG A 16 2.337 -7.819 -10.752 1.00 0.00 N ATOM 0 H ARG A 16 2.862 -8.381 -2.758 1.00 0.00 H new ATOM 0 HA ARG A 16 0.836 -6.979 -4.356 1.00 0.00 H new ATOM 0 HB2 ARG A 16 2.781 -9.038 -4.878 1.00 0.00 H new ATOM 0 HB3 ARG A 16 1.187 -9.726 -5.117 1.00 0.00 H new ATOM 0 HG2 ARG A 16 0.905 -8.577 -7.053 1.00 0.00 H new ATOM 0 HG3 ARG A 16 1.256 -7.053 -6.263 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.657 -7.341 -6.588 1.00 0.00 H new ATOM 0 HD3 ARG A 16 3.447 -8.998 -7.119 1.00 0.00 H new ATOM 0 HE ARG A 16 2.969 -6.554 -8.713 1.00 0.00 H new ATOM 0 HH11 ARG A 16 2.350 -10.059 -8.415 1.00 0.00 H new ATOM 0 HH12 ARG A 16 1.984 -10.259 -10.132 1.00 0.00 H new ATOM 0 HH21 ARG A 16 2.503 -6.823 -10.895 1.00 0.00 H new ATOM 0 HH22 ARG A 16 2.073 -8.410 -11.540 1.00 0.00 H new ATOM 233 N LEU A 17 -1.013 -7.899 -2.968 1.00 0.00 N ATOM 234 CA LEU A 17 -2.184 -8.463 -2.318 1.00 0.00 C ATOM 235 C LEU A 17 -3.228 -8.819 -3.378 1.00 0.00 C ATOM 236 O LEU A 17 -3.564 -7.993 -4.226 1.00 0.00 O ATOM 237 CB LEU A 17 -2.705 -7.515 -1.236 1.00 0.00 C ATOM 238 CG LEU A 17 -2.087 -7.680 0.153 1.00 0.00 C ATOM 239 CD1 LEU A 17 -2.175 -6.378 0.951 1.00 0.00 C ATOM 240 CD2 LEU A 17 -2.726 -8.853 0.900 1.00 0.00 C ATOM 0 H LEU A 17 -1.078 -6.902 -3.173 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.925 -9.387 -1.802 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.537 -6.490 -1.567 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.783 -7.650 -1.151 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.029 -7.912 0.031 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.728 -6.523 1.935 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.639 -5.590 0.422 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.220 -6.092 1.066 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.269 -8.949 1.885 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -3.795 -8.674 1.012 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.569 -9.772 0.336 1.00 0.00 H new ATOM 251 N THR A 18 -3.711 -10.050 -3.296 1.00 0.00 N ATOM 252 CA THR A 18 -4.711 -10.525 -4.237 1.00 0.00 C ATOM 253 C THR A 18 -5.908 -11.117 -3.491 1.00 0.00 C ATOM 254 O THR A 18 -5.777 -12.126 -2.799 1.00 0.00 O ATOM 255 CB THR A 18 -4.033 -11.519 -5.184 1.00 0.00 C ATOM 256 OG1 THR A 18 -3.090 -12.197 -4.358 1.00 0.00 O ATOM 257 CG2 THR A 18 -3.173 -10.826 -6.242 1.00 0.00 C ATOM 0 H THR A 18 -3.429 -10.733 -2.593 1.00 0.00 H new ATOM 0 HA THR A 18 -5.113 -9.706 -4.834 1.00 0.00 H new ATOM 0 HB THR A 18 -4.792 -12.128 -5.676 1.00 0.00 H new ATOM 0 HG1 THR A 18 -2.606 -12.862 -4.891 1.00 0.00 H new ATOM 0 HG21 THR A 18 -2.715 -11.576 -6.887 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.797 -10.164 -6.842 1.00 0.00 H new ATOM 0 HG23 THR A 18 -2.393 -10.244 -5.752 1.00 0.00 H new ATOM 265 N GLY A 19 -7.049 -10.464 -3.656 1.00 0.00 N ATOM 266 CA GLY A 19 -8.269 -10.913 -3.007 1.00 0.00 C ATOM 267 C GLY A 19 -9.209 -9.736 -2.733 1.00 0.00 C ATOM 268 O GLY A 19 -9.637 -9.052 -3.660 1.00 0.00 O ATOM 0 H GLY A 19 -7.154 -9.627 -4.230 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -8.772 -11.646 -3.638 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -8.024 -11.413 -2.070 1.00 0.00 H new ATOM 272 N GLU A 20 -9.501 -9.539 -1.456 1.00 0.00 N ATOM 273 CA GLU A 20 -10.382 -8.458 -1.049 1.00 0.00 C ATOM 274 C GLU A 20 -9.666 -7.534 -0.062 1.00 0.00 C ATOM 275 O GLU A 20 -8.699 -7.936 0.582 1.00 0.00 O ATOM 276 CB GLU A 20 -11.678 -9.003 -0.448 1.00 0.00 C ATOM 277 CG GLU A 20 -12.860 -8.769 -1.390 1.00 0.00 C ATOM 278 CD GLU A 20 -13.605 -10.076 -1.670 1.00 0.00 C ATOM 279 OE1 GLU A 20 -13.395 -11.074 -0.964 1.00 0.00 O ATOM 280 OE2 GLU A 20 -14.427 -10.032 -2.663 1.00 0.00 O ATOM 0 H GLU A 20 -9.143 -10.109 -0.690 1.00 0.00 H new ATOM 0 HA GLU A 20 -10.647 -7.879 -1.933 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -11.571 -10.070 -0.251 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -11.870 -8.519 0.510 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -13.544 -8.044 -0.948 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -12.504 -8.341 -2.327 1.00 0.00 H new ATOM 286 N LEU A 21 -10.169 -6.311 0.027 1.00 0.00 N ATOM 287 CA LEU A 21 -9.590 -5.326 0.925 1.00 0.00 C ATOM 288 C LEU A 21 -10.680 -4.782 1.851 1.00 0.00 C ATOM 289 O LEU A 21 -11.275 -3.742 1.571 1.00 0.00 O ATOM 290 CB LEU A 21 -8.859 -4.241 0.131 1.00 0.00 C ATOM 291 CG LEU A 21 -7.405 -4.541 -0.234 1.00 0.00 C ATOM 292 CD1 LEU A 21 -6.694 -5.274 0.906 1.00 0.00 C ATOM 293 CD2 LEU A 21 -7.317 -5.312 -1.553 1.00 0.00 C ATOM 0 H LEU A 21 -10.972 -5.980 -0.508 1.00 0.00 H new ATOM 0 HA LEU A 21 -8.834 -5.788 1.560 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -9.413 -4.057 -0.789 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -8.884 -3.317 0.709 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.888 -3.593 -0.381 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.661 -5.476 0.621 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.709 -4.654 1.802 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -7.205 -6.215 1.108 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.272 -5.512 -1.788 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.855 -6.255 -1.460 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -7.762 -4.718 -2.352 1.00 0.00 H new ATOM 304 N ASP A 22 -10.910 -5.510 2.933 1.00 0.00 N ATOM 305 CA ASP A 22 -11.918 -5.114 3.901 1.00 0.00 C ATOM 306 C ASP A 22 -11.358 -5.289 5.314 1.00 0.00 C ATOM 307 O ASP A 22 -10.315 -5.912 5.500 1.00 0.00 O ATOM 308 CB ASP A 22 -13.171 -5.982 3.778 1.00 0.00 C ATOM 309 CG ASP A 22 -13.136 -7.011 2.645 1.00 0.00 C ATOM 310 OD1 ASP A 22 -12.600 -6.746 1.559 1.00 0.00 O ATOM 311 OD2 ASP A 22 -13.699 -8.139 2.916 1.00 0.00 O ATOM 0 H ASP A 22 -10.415 -6.372 3.161 1.00 0.00 H new ATOM 0 HA ASP A 22 -12.180 -4.074 3.708 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -13.325 -6.507 4.721 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -14.033 -5.331 3.631 1.00 0.00 H new ATOM 316 N HIS A 23 -12.077 -4.726 6.275 1.00 0.00 N ATOM 317 CA HIS A 23 -11.666 -4.812 7.666 1.00 0.00 C ATOM 318 C HIS A 23 -11.187 -6.233 7.972 1.00 0.00 C ATOM 319 O HIS A 23 -10.375 -6.437 8.874 1.00 0.00 O ATOM 320 CB HIS A 23 -12.792 -4.353 8.595 1.00 0.00 C ATOM 321 CG HIS A 23 -13.720 -5.462 9.031 1.00 0.00 C ATOM 322 ND1 HIS A 23 -13.571 -6.136 10.231 1.00 0.00 N ATOM 323 CD2 HIS A 23 -14.808 -6.006 8.415 1.00 0.00 C ATOM 324 CE1 HIS A 23 -14.532 -7.043 10.322 1.00 0.00 C ATOM 325 NE2 HIS A 23 -15.298 -6.961 9.196 1.00 0.00 N ATOM 0 H HIS A 23 -12.942 -4.209 6.117 1.00 0.00 H new ATOM 0 HA HIS A 23 -10.829 -4.137 7.844 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -12.354 -3.891 9.480 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -13.375 -3.583 8.089 1.00 0.00 H new ATOM 0 HD1 HIS A 23 -12.845 -5.964 10.926 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -15.204 -5.710 7.455 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -14.683 -7.728 11.144 1.00 0.00 H new ATOM 332 N HIS A 24 -11.710 -7.178 7.205 1.00 0.00 N ATOM 333 CA HIS A 24 -11.346 -8.573 7.384 1.00 0.00 C ATOM 334 C HIS A 24 -9.972 -8.829 6.760 1.00 0.00 C ATOM 335 O HIS A 24 -9.075 -9.351 7.420 1.00 0.00 O ATOM 336 CB HIS A 24 -12.431 -9.494 6.822 1.00 0.00 C ATOM 337 CG HIS A 24 -13.497 -9.868 7.823 1.00 0.00 C ATOM 338 ND1 HIS A 24 -14.839 -9.588 7.630 1.00 0.00 N ATOM 339 CD2 HIS A 24 -13.406 -10.503 9.027 1.00 0.00 C ATOM 340 CE1 HIS A 24 -15.515 -10.038 8.677 1.00 0.00 C ATOM 341 NE2 HIS A 24 -14.625 -10.604 9.542 1.00 0.00 N ATOM 0 H HIS A 24 -12.383 -7.005 6.458 1.00 0.00 H new ATOM 0 HA HIS A 24 -11.273 -8.799 8.448 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -12.903 -9.005 5.970 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -11.963 -10.404 6.448 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -12.496 -10.863 9.484 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -16.583 -9.969 8.820 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -14.858 -11.034 10.437 1.00 0.00 H new ATOM 348 N THR A 25 -9.850 -8.447 5.498 1.00 0.00 N ATOM 349 CA THR A 25 -8.600 -8.628 4.779 1.00 0.00 C ATOM 350 C THR A 25 -7.599 -7.537 5.166 1.00 0.00 C ATOM 351 O THR A 25 -6.393 -7.708 4.996 1.00 0.00 O ATOM 352 CB THR A 25 -8.916 -8.660 3.282 1.00 0.00 C ATOM 353 OG1 THR A 25 -8.859 -7.292 2.886 1.00 0.00 O ATOM 354 CG2 THR A 25 -10.363 -9.070 2.997 1.00 0.00 C ATOM 0 H THR A 25 -10.596 -8.013 4.954 1.00 0.00 H new ATOM 0 HA THR A 25 -8.123 -9.571 5.045 1.00 0.00 H new ATOM 0 HB THR A 25 -8.238 -9.352 2.783 1.00 0.00 H new ATOM 0 HG1 THR A 25 -8.428 -7.223 2.008 1.00 0.00 H new ATOM 0 HG21 THR A 25 -10.534 -9.077 1.921 1.00 0.00 H new ATOM 0 HG22 THR A 25 -10.545 -10.067 3.399 1.00 0.00 H new ATOM 0 HG23 THR A 25 -11.042 -8.359 3.468 1.00 0.00 H new ATOM 362 N ALA A 26 -8.137 -6.441 5.679 1.00 0.00 N ATOM 363 CA ALA A 26 -7.307 -5.322 6.092 1.00 0.00 C ATOM 364 C ALA A 26 -6.560 -5.693 7.375 1.00 0.00 C ATOM 365 O ALA A 26 -5.572 -5.052 7.729 1.00 0.00 O ATOM 366 CB ALA A 26 -8.176 -4.075 6.262 1.00 0.00 C ATOM 0 H ALA A 26 -9.138 -6.304 5.818 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.561 -5.096 5.330 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -7.552 -3.236 6.572 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -8.660 -3.837 5.315 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -8.936 -4.262 7.021 1.00 0.00 H new ATOM 372 N GLU A 27 -7.062 -6.726 8.036 1.00 0.00 N ATOM 373 CA GLU A 27 -6.455 -7.189 9.272 1.00 0.00 C ATOM 374 C GLU A 27 -5.101 -7.842 8.987 1.00 0.00 C ATOM 375 O GLU A 27 -4.120 -7.571 9.676 1.00 0.00 O ATOM 376 CB GLU A 27 -7.385 -8.153 10.011 1.00 0.00 C ATOM 377 CG GLU A 27 -7.792 -7.587 11.373 1.00 0.00 C ATOM 378 CD GLU A 27 -9.222 -7.045 11.336 1.00 0.00 C ATOM 379 OE1 GLU A 27 -10.149 -7.765 10.936 1.00 0.00 O ATOM 380 OE2 GLU A 27 -9.354 -5.828 11.742 1.00 0.00 O ATOM 0 H GLU A 27 -7.882 -7.255 7.739 1.00 0.00 H new ATOM 0 HA GLU A 27 -6.291 -6.327 9.919 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -8.275 -8.338 9.410 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.886 -9.113 10.146 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -7.714 -8.365 12.132 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -7.105 -6.791 11.660 1.00 0.00 H new ATOM 386 N THR A 28 -5.093 -8.691 7.969 1.00 0.00 N ATOM 387 CA THR A 28 -3.876 -9.385 7.585 1.00 0.00 C ATOM 388 C THR A 28 -2.704 -8.405 7.509 1.00 0.00 C ATOM 389 O THR A 28 -1.627 -8.678 8.037 1.00 0.00 O ATOM 390 CB THR A 28 -4.144 -10.114 6.266 1.00 0.00 C ATOM 391 OG1 THR A 28 -4.382 -11.464 6.658 1.00 0.00 O ATOM 392 CG2 THR A 28 -2.901 -10.198 5.379 1.00 0.00 C ATOM 0 H THR A 28 -5.909 -8.913 7.399 1.00 0.00 H new ATOM 0 HA THR A 28 -3.591 -10.126 8.332 1.00 0.00 H new ATOM 0 HB THR A 28 -4.941 -9.604 5.725 1.00 0.00 H new ATOM 0 HG1 THR A 28 -4.566 -12.008 5.864 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.147 -10.724 4.457 1.00 0.00 H new ATOM 0 HG22 THR A 28 -2.555 -9.192 5.141 1.00 0.00 H new ATOM 0 HG23 THR A 28 -2.114 -10.737 5.906 1.00 0.00 H new ATOM 400 N LEU A 29 -2.953 -7.284 6.849 1.00 0.00 N ATOM 401 CA LEU A 29 -1.931 -6.262 6.697 1.00 0.00 C ATOM 402 C LEU A 29 -1.635 -5.637 8.062 1.00 0.00 C ATOM 403 O LEU A 29 -0.528 -5.161 8.303 1.00 0.00 O ATOM 404 CB LEU A 29 -2.346 -5.245 5.632 1.00 0.00 C ATOM 405 CG LEU A 29 -1.609 -3.904 5.663 1.00 0.00 C ATOM 406 CD1 LEU A 29 -2.057 -3.060 6.858 1.00 0.00 C ATOM 407 CD2 LEU A 29 -0.093 -4.110 5.643 1.00 0.00 C ATOM 0 H LEU A 29 -3.848 -7.061 6.413 1.00 0.00 H new ATOM 0 HA LEU A 29 -1.001 -6.703 6.339 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -2.199 -5.696 4.650 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.414 -5.053 5.738 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.870 -3.350 4.761 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.518 -2.112 6.857 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.128 -2.869 6.787 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.845 -3.597 7.783 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.406 -3.141 5.666 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.206 -4.693 6.514 1.00 0.00 H new ATOM 0 HD23 LEU A 29 0.190 -4.643 4.735 1.00 0.00 H new ATOM 418 N LYS A 30 -2.646 -5.659 8.918 1.00 0.00 N ATOM 419 CA LYS A 30 -2.508 -5.100 10.253 1.00 0.00 C ATOM 420 C LYS A 30 -1.200 -5.593 10.876 1.00 0.00 C ATOM 421 O LYS A 30 -0.492 -4.829 11.529 1.00 0.00 O ATOM 422 CB LYS A 30 -3.746 -5.414 11.096 1.00 0.00 C ATOM 423 CG LYS A 30 -4.024 -4.292 12.099 1.00 0.00 C ATOM 424 CD LYS A 30 -3.146 -4.438 13.343 1.00 0.00 C ATOM 425 CE LYS A 30 -3.274 -5.839 13.943 1.00 0.00 C ATOM 426 NZ LYS A 30 -3.183 -5.781 15.419 1.00 0.00 N ATOM 0 H LYS A 30 -3.564 -6.055 8.714 1.00 0.00 H new ATOM 0 HA LYS A 30 -2.449 -4.013 10.206 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -4.610 -5.547 10.445 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -3.600 -6.354 11.628 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -3.838 -3.326 11.630 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -5.075 -4.309 12.387 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -2.105 -4.244 13.083 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -3.434 -3.693 14.085 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -4.226 -6.282 13.649 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -2.488 -6.483 13.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -3.272 -6.740 15.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -2.265 -5.378 15.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -3.949 -5.183 15.791 1.00 0.00 H new ATOM 435 N GLN A 31 -0.919 -6.868 10.650 1.00 0.00 N ATOM 436 CA GLN A 31 0.292 -7.472 11.180 1.00 0.00 C ATOM 437 C GLN A 31 1.509 -7.021 10.371 1.00 0.00 C ATOM 438 O GLN A 31 2.602 -6.872 10.916 1.00 0.00 O ATOM 439 CB GLN A 31 0.180 -8.999 11.198 1.00 0.00 C ATOM 440 CG GLN A 31 0.396 -9.580 9.799 1.00 0.00 C ATOM 441 CD GLN A 31 -0.570 -10.737 9.531 1.00 0.00 C ATOM 442 OE1 GLN A 31 -0.183 -11.821 9.128 1.00 0.00 O ATOM 443 NE2 GLN A 31 -1.843 -10.445 9.778 1.00 0.00 N ATOM 0 H GLN A 31 -1.509 -7.499 10.107 1.00 0.00 H new ATOM 0 HA GLN A 31 0.421 -7.137 12.209 1.00 0.00 H new ATOM 0 HB2 GLN A 31 0.917 -9.413 11.886 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -0.802 -9.291 11.570 1.00 0.00 H new ATOM 0 HG2 GLN A 31 0.252 -8.800 9.051 1.00 0.00 H new ATOM 0 HG3 GLN A 31 1.424 -9.929 9.701 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -2.097 -9.516 10.114 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -2.566 -11.150 9.631 1.00 0.00 H new ATOM 450 N LYS A 32 1.279 -6.815 9.082 1.00 0.00 N ATOM 451 CA LYS A 32 2.344 -6.383 8.192 1.00 0.00 C ATOM 452 C LYS A 32 2.796 -4.977 8.590 1.00 0.00 C ATOM 453 O LYS A 32 3.838 -4.505 8.137 1.00 0.00 O ATOM 454 CB LYS A 32 1.901 -6.496 6.732 1.00 0.00 C ATOM 455 CG LYS A 32 2.821 -5.688 5.815 1.00 0.00 C ATOM 456 CD LYS A 32 4.248 -6.239 5.848 1.00 0.00 C ATOM 457 CE LYS A 32 4.980 -5.946 4.536 1.00 0.00 C ATOM 458 NZ LYS A 32 6.425 -6.232 4.674 1.00 0.00 N ATOM 0 H LYS A 32 0.372 -6.939 8.633 1.00 0.00 H new ATOM 0 HA LYS A 32 3.211 -7.037 8.290 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.906 -7.542 6.427 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.876 -6.139 6.631 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.440 -5.717 4.794 1.00 0.00 H new ATOM 0 HG3 LYS A 32 2.823 -4.643 6.125 1.00 0.00 H new ATOM 0 HD2 LYS A 32 4.794 -5.795 6.680 1.00 0.00 H new ATOM 0 HD3 LYS A 32 4.222 -7.315 6.022 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.558 -6.552 3.734 1.00 0.00 H new ATOM 0 HE3 LYS A 32 4.835 -4.902 4.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 6.907 -6.028 3.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 6.827 -5.636 5.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 6.559 -7.234 4.919 1.00 0.00 H new ATOM 467 N VAL A 33 1.991 -4.346 9.432 1.00 0.00 N ATOM 468 CA VAL A 33 2.294 -3.004 9.895 1.00 0.00 C ATOM 469 C VAL A 33 3.466 -3.061 10.877 1.00 0.00 C ATOM 470 O VAL A 33 4.484 -2.401 10.674 1.00 0.00 O ATOM 471 CB VAL A 33 1.042 -2.360 10.495 1.00 0.00 C ATOM 472 CG1 VAL A 33 1.252 -0.863 10.727 1.00 0.00 C ATOM 473 CG2 VAL A 33 -0.181 -2.612 9.611 1.00 0.00 C ATOM 0 H VAL A 33 1.128 -4.741 9.806 1.00 0.00 H new ATOM 0 HA VAL A 33 2.599 -2.372 9.060 1.00 0.00 H new ATOM 0 HB VAL A 33 0.857 -2.825 11.463 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.347 -0.430 11.154 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.084 -0.715 11.415 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.474 -0.375 9.778 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.057 -2.144 10.060 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.009 -2.187 8.622 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.349 -3.685 9.520 1.00 0.00 H new ATOM 483 N THR A 34 3.283 -3.856 11.921 1.00 0.00 N ATOM 484 CA THR A 34 4.312 -4.009 12.935 1.00 0.00 C ATOM 485 C THR A 34 5.646 -4.386 12.289 1.00 0.00 C ATOM 486 O THR A 34 6.702 -3.921 12.717 1.00 0.00 O ATOM 487 CB THR A 34 3.820 -5.035 13.957 1.00 0.00 C ATOM 488 OG1 THR A 34 5.009 -5.464 14.619 1.00 0.00 O ATOM 489 CG2 THR A 34 3.282 -6.307 13.298 1.00 0.00 C ATOM 0 H THR A 34 2.437 -4.401 12.086 1.00 0.00 H new ATOM 0 HA THR A 34 4.494 -3.070 13.458 1.00 0.00 H new ATOM 0 HB THR A 34 3.040 -4.587 14.573 1.00 0.00 H new ATOM 0 HG1 THR A 34 4.782 -6.130 15.301 1.00 0.00 H new ATOM 0 HG21 THR A 34 2.946 -7.002 14.068 1.00 0.00 H new ATOM 0 HG22 THR A 34 2.445 -6.054 12.648 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.071 -6.773 12.708 1.00 0.00 H new ATOM 497 N GLN A 35 5.557 -5.225 11.267 1.00 0.00 N ATOM 498 CA GLN A 35 6.743 -5.670 10.558 1.00 0.00 C ATOM 499 C GLN A 35 7.418 -4.488 9.859 1.00 0.00 C ATOM 500 O GLN A 35 8.632 -4.314 9.960 1.00 0.00 O ATOM 501 CB GLN A 35 6.401 -6.776 9.557 1.00 0.00 C ATOM 502 CG GLN A 35 6.133 -8.101 10.274 1.00 0.00 C ATOM 503 CD GLN A 35 5.105 -8.938 9.511 1.00 0.00 C ATOM 504 OE1 GLN A 35 5.434 -9.854 8.775 1.00 0.00 O ATOM 505 NE2 GLN A 35 3.843 -8.575 9.727 1.00 0.00 N ATOM 0 H GLN A 35 4.680 -5.608 10.913 1.00 0.00 H new ATOM 0 HA GLN A 35 7.442 -6.086 11.284 1.00 0.00 H new ATOM 0 HB2 GLN A 35 5.524 -6.488 8.977 1.00 0.00 H new ATOM 0 HB3 GLN A 35 7.223 -6.900 8.852 1.00 0.00 H new ATOM 0 HG2 GLN A 35 7.063 -8.661 10.371 1.00 0.00 H new ATOM 0 HG3 GLN A 35 5.771 -7.906 11.284 1.00 0.00 H new ATOM 0 HE21 GLN A 35 3.636 -7.799 10.356 1.00 0.00 H new ATOM 0 HE22 GLN A 35 3.083 -9.073 9.264 1.00 0.00 H new ATOM 512 N SER A 36 6.603 -3.707 9.166 1.00 0.00 N ATOM 513 CA SER A 36 7.107 -2.547 8.451 1.00 0.00 C ATOM 514 C SER A 36 7.398 -1.411 9.435 1.00 0.00 C ATOM 515 O SER A 36 8.244 -0.559 9.171 1.00 0.00 O ATOM 516 CB SER A 36 6.112 -2.083 7.385 1.00 0.00 C ATOM 517 OG SER A 36 6.760 -1.744 6.161 1.00 0.00 O ATOM 0 H SER A 36 5.597 -3.855 9.084 1.00 0.00 H new ATOM 0 HA SER A 36 8.032 -2.830 7.949 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.382 -2.872 7.202 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.561 -1.218 7.755 1.00 0.00 H new ATOM 0 HG SER A 36 6.274 -2.146 5.411 1.00 0.00 H new ATOM 522 N LEU A 37 6.680 -1.438 10.548 1.00 0.00 N ATOM 523 CA LEU A 37 6.852 -0.422 11.573 1.00 0.00 C ATOM 524 C LEU A 37 8.336 -0.300 11.920 1.00 0.00 C ATOM 525 O LEU A 37 8.832 0.799 12.166 1.00 0.00 O ATOM 526 CB LEU A 37 5.959 -0.722 12.779 1.00 0.00 C ATOM 527 CG LEU A 37 4.882 0.318 13.091 1.00 0.00 C ATOM 528 CD1 LEU A 37 4.294 0.097 14.486 1.00 0.00 C ATOM 529 CD2 LEU A 37 5.422 1.739 12.915 1.00 0.00 C ATOM 0 H LEU A 37 5.978 -2.147 10.763 1.00 0.00 H new ATOM 0 HA LEU A 37 6.531 0.552 11.203 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.471 -1.683 12.615 1.00 0.00 H new ATOM 0 HB3 LEU A 37 6.594 -0.833 13.658 1.00 0.00 H new ATOM 0 HG LEU A 37 4.070 0.192 12.375 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.531 0.850 14.683 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.847 -0.896 14.539 1.00 0.00 H new ATOM 0 HD13 LEU A 37 5.085 0.179 15.231 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.635 2.458 13.143 1.00 0.00 H new ATOM 0 HD22 LEU A 37 6.263 1.895 13.590 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.753 1.878 11.886 1.00 0.00 H new ATOM 540 N GLU A 38 9.005 -1.443 11.931 1.00 0.00 N ATOM 541 CA GLU A 38 10.423 -1.478 12.246 1.00 0.00 C ATOM 542 C GLU A 38 11.042 -2.790 11.759 1.00 0.00 C ATOM 543 O GLU A 38 11.314 -3.686 12.557 1.00 0.00 O ATOM 544 CB GLU A 38 10.658 -1.283 13.744 1.00 0.00 C ATOM 545 CG GLU A 38 10.295 0.139 14.176 1.00 0.00 C ATOM 546 CD GLU A 38 10.937 0.484 15.521 1.00 0.00 C ATOM 547 OE1 GLU A 38 10.267 0.419 16.562 1.00 0.00 O ATOM 548 OE2 GLU A 38 12.179 0.830 15.461 1.00 0.00 O ATOM 0 H GLU A 38 8.591 -2.353 11.727 1.00 0.00 H new ATOM 0 HA GLU A 38 10.911 -0.653 11.726 1.00 0.00 H new ATOM 0 HB2 GLU A 38 10.061 -2.001 14.306 1.00 0.00 H new ATOM 0 HB3 GLU A 38 11.703 -1.483 13.981 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.626 0.849 13.418 1.00 0.00 H new ATOM 0 HG3 GLU A 38 9.212 0.235 14.251 1.00 0.00 H new ATOM 554 N LYS A 39 11.248 -2.862 10.452 1.00 0.00 N ATOM 555 CA LYS A 39 11.830 -4.050 9.850 1.00 0.00 C ATOM 556 C LYS A 39 13.296 -4.163 10.271 1.00 0.00 C ATOM 557 O LYS A 39 13.749 -5.233 10.675 1.00 0.00 O ATOM 558 CB LYS A 39 11.625 -4.038 8.334 1.00 0.00 C ATOM 559 CG LYS A 39 11.611 -5.460 7.771 1.00 0.00 C ATOM 560 CD LYS A 39 11.853 -5.454 6.260 1.00 0.00 C ATOM 561 CE LYS A 39 13.346 -5.361 5.944 1.00 0.00 C ATOM 562 NZ LYS A 39 13.659 -6.092 4.696 1.00 0.00 N ATOM 0 H LYS A 39 11.022 -2.117 9.793 1.00 0.00 H new ATOM 0 HA LYS A 39 11.324 -4.946 10.210 1.00 0.00 H new ATOM 0 HB2 LYS A 39 10.686 -3.539 8.094 1.00 0.00 H new ATOM 0 HB3 LYS A 39 12.421 -3.463 7.860 1.00 0.00 H new ATOM 0 HG2 LYS A 39 12.378 -6.057 8.263 1.00 0.00 H new ATOM 0 HG3 LYS A 39 10.652 -5.931 7.987 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.440 -6.361 5.818 1.00 0.00 H new ATOM 0 HD3 LYS A 39 11.329 -4.612 5.808 1.00 0.00 H new ATOM 0 HE2 LYS A 39 13.638 -4.316 5.843 1.00 0.00 H new ATOM 0 HE3 LYS A 39 13.925 -5.775 6.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 14.690 -6.134 4.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 13.277 -7.058 4.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 13.230 -5.598 3.888 1.00 0.00 H new ATOM 571 N ASP A 40 13.998 -3.045 10.163 1.00 0.00 N ATOM 572 CA ASP A 40 15.405 -3.005 10.528 1.00 0.00 C ATOM 573 C ASP A 40 16.025 -1.708 10.007 1.00 0.00 C ATOM 574 O ASP A 40 16.003 -0.686 10.690 1.00 0.00 O ATOM 575 CB ASP A 40 16.167 -4.178 9.908 1.00 0.00 C ATOM 576 CG ASP A 40 16.298 -5.410 10.805 1.00 0.00 C ATOM 577 OD1 ASP A 40 15.850 -6.510 10.447 1.00 0.00 O ATOM 578 OD2 ASP A 40 16.896 -5.207 11.929 1.00 0.00 O ATOM 0 H ASP A 40 13.619 -2.159 9.828 1.00 0.00 H new ATOM 0 HA ASP A 40 15.475 -3.064 11.614 1.00 0.00 H new ATOM 0 HB2 ASP A 40 15.666 -4.471 8.985 1.00 0.00 H new ATOM 0 HB3 ASP A 40 17.166 -3.839 9.634 1.00 0.00 H new ATOM 583 N ASP A 41 16.566 -1.792 8.800 1.00 0.00 N ATOM 584 CA ASP A 41 17.193 -0.638 8.178 1.00 0.00 C ATOM 585 C ASP A 41 16.109 0.297 7.639 1.00 0.00 C ATOM 586 O ASP A 41 15.085 0.507 8.288 1.00 0.00 O ATOM 587 CB ASP A 41 18.081 -1.057 7.006 1.00 0.00 C ATOM 588 CG ASP A 41 19.192 -0.067 6.649 1.00 0.00 C ATOM 589 OD1 ASP A 41 19.148 1.109 7.039 1.00 0.00 O ATOM 590 OD2 ASP A 41 20.146 -0.555 5.930 1.00 0.00 O ATOM 0 H ASP A 41 16.583 -2.642 8.236 1.00 0.00 H new ATOM 0 HA ASP A 41 17.803 -0.140 8.931 1.00 0.00 H new ATOM 0 HB2 ASP A 41 18.535 -2.020 7.240 1.00 0.00 H new ATOM 0 HB3 ASP A 41 17.452 -1.206 6.128 1.00 0.00 H new ATOM 595 N ILE A 42 16.370 0.834 6.456 1.00 0.00 N ATOM 596 CA ILE A 42 15.429 1.741 5.822 1.00 0.00 C ATOM 597 C ILE A 42 15.110 1.236 4.414 1.00 0.00 C ATOM 598 O ILE A 42 15.707 1.688 3.438 1.00 0.00 O ATOM 599 CB ILE A 42 15.963 3.175 5.854 1.00 0.00 C ATOM 600 CG1 ILE A 42 15.462 3.919 7.095 1.00 0.00 C ATOM 601 CG2 ILE A 42 15.617 3.918 4.562 1.00 0.00 C ATOM 602 CD1 ILE A 42 14.000 3.577 7.386 1.00 0.00 C ATOM 0 H ILE A 42 17.220 0.658 5.920 1.00 0.00 H new ATOM 0 HA ILE A 42 14.489 1.762 6.374 1.00 0.00 H new ATOM 0 HB ILE A 42 17.050 3.133 5.920 1.00 0.00 H new ATOM 0 HG12 ILE A 42 16.079 3.656 7.955 1.00 0.00 H new ATOM 0 HG13 ILE A 42 15.565 4.994 6.945 1.00 0.00 H new ATOM 0 HG21 ILE A 42 16.008 4.934 4.611 1.00 0.00 H new ATOM 0 HG22 ILE A 42 16.062 3.399 3.713 1.00 0.00 H new ATOM 0 HG23 ILE A 42 14.534 3.951 4.440 1.00 0.00 H new ATOM 0 HD11 ILE A 42 13.669 4.119 8.272 1.00 0.00 H new ATOM 0 HD12 ILE A 42 13.383 3.863 6.534 1.00 0.00 H new ATOM 0 HD13 ILE A 42 13.905 2.505 7.559 1.00 0.00 H new ATOM 613 N ARG A 43 14.168 0.306 4.353 1.00 0.00 N ATOM 614 CA ARG A 43 13.762 -0.267 3.081 1.00 0.00 C ATOM 615 C ARG A 43 12.746 0.646 2.388 1.00 0.00 C ATOM 616 O ARG A 43 12.570 1.797 2.785 1.00 0.00 O ATOM 617 CB ARG A 43 13.144 -1.653 3.272 1.00 0.00 C ATOM 618 CG ARG A 43 14.182 -2.752 3.033 1.00 0.00 C ATOM 619 CD ARG A 43 15.575 -2.295 3.469 1.00 0.00 C ATOM 620 NE ARG A 43 16.257 -3.384 4.205 1.00 0.00 N ATOM 621 CZ ARG A 43 16.570 -4.581 3.668 1.00 0.00 C ATOM 622 NH1 ARG A 43 16.264 -4.856 2.382 1.00 0.00 N ATOM 623 NH2 ARG A 43 17.179 -5.480 4.419 1.00 0.00 N ATOM 0 H ARG A 43 13.674 -0.065 5.165 1.00 0.00 H new ATOM 0 HA ARG A 43 14.653 -0.362 2.461 1.00 0.00 H new ATOM 0 HB2 ARG A 43 12.742 -1.740 4.281 1.00 0.00 H new ATOM 0 HB3 ARG A 43 12.308 -1.781 2.584 1.00 0.00 H new ATOM 0 HG2 ARG A 43 13.901 -3.649 3.585 1.00 0.00 H new ATOM 0 HG3 ARG A 43 14.197 -3.019 1.976 1.00 0.00 H new ATOM 0 HD2 ARG A 43 16.163 -2.010 2.597 1.00 0.00 H new ATOM 0 HD3 ARG A 43 15.495 -1.411 4.102 1.00 0.00 H new ATOM 0 HE ARG A 43 16.506 -3.218 5.180 1.00 0.00 H new ATOM 0 HH11 ARG A 43 15.793 -4.156 1.809 1.00 0.00 H new ATOM 0 HH12 ARG A 43 16.504 -5.764 1.983 1.00 0.00 H new ATOM 0 HH21 ARG A 43 17.406 -5.264 5.390 1.00 0.00 H new ATOM 0 HH22 ARG A 43 17.423 -6.390 4.028 1.00 0.00 H new ATOM 633 N HIS A 44 12.106 0.097 1.367 1.00 0.00 N ATOM 634 CA HIS A 44 11.113 0.846 0.616 1.00 0.00 C ATOM 635 C HIS A 44 9.839 0.010 0.474 1.00 0.00 C ATOM 636 O HIS A 44 9.871 -1.210 0.631 1.00 0.00 O ATOM 637 CB HIS A 44 11.678 1.299 -0.731 1.00 0.00 C ATOM 638 CG HIS A 44 12.724 2.384 -0.625 1.00 0.00 C ATOM 639 ND1 HIS A 44 12.566 3.500 0.175 1.00 0.00 N ATOM 640 CD2 HIS A 44 13.942 2.508 -1.226 1.00 0.00 C ATOM 641 CE1 HIS A 44 13.646 4.258 0.053 1.00 0.00 C ATOM 642 NE2 HIS A 44 14.497 3.642 -0.816 1.00 0.00 N ATOM 0 H HIS A 44 12.256 -0.858 1.042 1.00 0.00 H new ATOM 0 HA HIS A 44 10.851 1.755 1.158 1.00 0.00 H new ATOM 0 HB2 HIS A 44 12.112 0.438 -1.239 1.00 0.00 H new ATOM 0 HB3 HIS A 44 10.859 1.658 -1.355 1.00 0.00 H new ATOM 0 HD1 HIS A 44 11.756 3.705 0.760 1.00 0.00 H new ATOM 0 HD2 HIS A 44 14.380 1.804 -1.918 1.00 0.00 H new ATOM 0 HE1 HIS A 44 13.821 5.199 0.554 1.00 0.00 H new ATOM 649 N ILE A 45 8.747 0.700 0.179 1.00 0.00 N ATOM 650 CA ILE A 45 7.465 0.038 0.014 1.00 0.00 C ATOM 651 C ILE A 45 7.144 -0.079 -1.476 1.00 0.00 C ATOM 652 O ILE A 45 7.676 0.674 -2.290 1.00 0.00 O ATOM 653 CB ILE A 45 6.382 0.757 0.823 1.00 0.00 C ATOM 654 CG1 ILE A 45 5.580 1.712 -0.064 1.00 0.00 C ATOM 655 CG2 ILE A 45 6.985 1.469 2.034 1.00 0.00 C ATOM 656 CD1 ILE A 45 6.487 2.407 -1.083 1.00 0.00 C ATOM 0 H ILE A 45 8.724 1.712 0.050 1.00 0.00 H new ATOM 0 HA ILE A 45 7.506 -0.976 0.411 1.00 0.00 H new ATOM 0 HB ILE A 45 5.686 0.010 1.204 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.798 1.160 -0.585 1.00 0.00 H new ATOM 0 HG13 ILE A 45 5.084 2.459 0.556 1.00 0.00 H new ATOM 0 HG21 ILE A 45 6.195 1.972 2.591 1.00 0.00 H new ATOM 0 HG22 ILE A 45 7.476 0.739 2.678 1.00 0.00 H new ATOM 0 HG23 ILE A 45 7.715 2.205 1.697 1.00 0.00 H new ATOM 0 HD11 ILE A 45 5.892 3.080 -1.700 1.00 0.00 H new ATOM 0 HD12 ILE A 45 7.253 2.978 -0.558 1.00 0.00 H new ATOM 0 HD13 ILE A 45 6.963 1.659 -1.717 1.00 0.00 H new ATOM 667 N VAL A 46 6.275 -1.029 -1.790 1.00 0.00 N ATOM 668 CA VAL A 46 5.877 -1.254 -3.168 1.00 0.00 C ATOM 669 C VAL A 46 4.543 -2.003 -3.195 1.00 0.00 C ATOM 670 O VAL A 46 4.518 -3.232 -3.247 1.00 0.00 O ATOM 671 CB VAL A 46 6.988 -1.988 -3.922 1.00 0.00 C ATOM 672 CG1 VAL A 46 6.406 -2.982 -4.928 1.00 0.00 C ATOM 673 CG2 VAL A 46 7.929 -0.998 -4.611 1.00 0.00 C ATOM 0 H VAL A 46 5.835 -1.652 -1.112 1.00 0.00 H new ATOM 0 HA VAL A 46 5.727 -0.304 -3.680 1.00 0.00 H new ATOM 0 HB VAL A 46 7.570 -2.553 -3.193 1.00 0.00 H new ATOM 0 HG11 VAL A 46 7.218 -3.489 -5.449 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.797 -3.717 -4.402 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.788 -2.449 -5.650 1.00 0.00 H new ATOM 0 HG21 VAL A 46 8.709 -1.545 -5.140 1.00 0.00 H new ATOM 0 HG22 VAL A 46 7.365 -0.394 -5.321 1.00 0.00 H new ATOM 0 HG23 VAL A 46 8.384 -0.348 -3.864 1.00 0.00 H new ATOM 683 N LEU A 47 3.467 -1.231 -3.156 1.00 0.00 N ATOM 684 CA LEU A 47 2.132 -1.807 -3.174 1.00 0.00 C ATOM 685 C LEU A 47 1.728 -2.101 -4.620 1.00 0.00 C ATOM 686 O LEU A 47 2.220 -1.461 -5.549 1.00 0.00 O ATOM 687 CB LEU A 47 1.148 -0.900 -2.434 1.00 0.00 C ATOM 688 CG LEU A 47 0.864 -1.267 -0.975 1.00 0.00 C ATOM 689 CD1 LEU A 47 2.050 -2.009 -0.356 1.00 0.00 C ATOM 690 CD2 LEU A 47 0.477 -0.029 -0.164 1.00 0.00 C ATOM 0 H LEU A 47 3.492 -0.212 -3.112 1.00 0.00 H new ATOM 0 HA LEU A 47 2.119 -2.757 -2.639 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.532 0.120 -2.463 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.204 -0.901 -2.979 1.00 0.00 H new ATOM 0 HG LEU A 47 0.012 -1.946 -0.953 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.822 -2.258 0.680 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.239 -2.925 -0.916 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.935 -1.374 -0.391 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.281 -0.317 0.869 1.00 0.00 H new ATOM 0 HD22 LEU A 47 1.293 0.693 -0.190 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.419 0.421 -0.592 1.00 0.00 H new ATOM 701 N ASN A 48 0.837 -3.070 -4.765 1.00 0.00 N ATOM 702 CA ASN A 48 0.361 -3.458 -6.083 1.00 0.00 C ATOM 703 C ASN A 48 -0.675 -4.574 -5.938 1.00 0.00 C ATOM 704 O ASN A 48 -0.332 -5.704 -5.593 1.00 0.00 O ATOM 705 CB ASN A 48 1.507 -3.986 -6.949 1.00 0.00 C ATOM 706 CG ASN A 48 2.546 -4.719 -6.098 1.00 0.00 C ATOM 707 OD1 ASN A 48 2.239 -5.324 -5.084 1.00 0.00 O ATOM 708 ND2 ASN A 48 3.788 -4.629 -6.565 1.00 0.00 N ATOM 0 H ASN A 48 0.432 -3.598 -3.992 1.00 0.00 H new ATOM 0 HA ASN A 48 -0.074 -2.578 -6.557 1.00 0.00 H new ATOM 0 HB2 ASN A 48 1.112 -4.661 -7.708 1.00 0.00 H new ATOM 0 HB3 ASN A 48 1.982 -3.157 -7.475 1.00 0.00 H new ATOM 0 HD21 ASN A 48 4.554 -5.083 -6.068 1.00 0.00 H new ATOM 0 HD22 ASN A 48 3.974 -4.106 -7.421 1.00 0.00 H new ATOM 714 N LEU A 49 -1.922 -4.219 -6.209 1.00 0.00 N ATOM 715 CA LEU A 49 -3.011 -5.177 -6.114 1.00 0.00 C ATOM 716 C LEU A 49 -3.362 -5.684 -7.514 1.00 0.00 C ATOM 717 O LEU A 49 -3.672 -4.894 -8.405 1.00 0.00 O ATOM 718 CB LEU A 49 -4.197 -4.567 -5.364 1.00 0.00 C ATOM 719 CG LEU A 49 -4.502 -5.166 -3.991 1.00 0.00 C ATOM 720 CD1 LEU A 49 -4.664 -4.069 -2.938 1.00 0.00 C ATOM 721 CD2 LEU A 49 -5.725 -6.085 -4.053 1.00 0.00 C ATOM 0 H LEU A 49 -2.203 -3.281 -6.495 1.00 0.00 H new ATOM 0 HA LEU A 49 -2.706 -6.044 -5.528 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.013 -3.500 -5.240 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.086 -4.667 -5.987 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.653 -5.779 -3.690 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.880 -4.522 -1.971 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.742 -3.491 -2.870 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.485 -3.411 -3.222 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.920 -6.498 -3.063 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.592 -5.515 -4.386 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.534 -6.898 -4.754 1.00 0.00 H new ATOM 732 N GLU A 50 -3.303 -6.999 -7.665 1.00 0.00 N ATOM 733 CA GLU A 50 -3.611 -7.621 -8.940 1.00 0.00 C ATOM 734 C GLU A 50 -5.060 -8.115 -8.955 1.00 0.00 C ATOM 735 O GLU A 50 -5.656 -8.270 -10.020 1.00 0.00 O ATOM 736 CB GLU A 50 -2.640 -8.764 -9.243 1.00 0.00 C ATOM 737 CG GLU A 50 -1.932 -8.543 -10.580 1.00 0.00 C ATOM 738 CD GLU A 50 -2.372 -9.584 -11.613 1.00 0.00 C ATOM 739 OE1 GLU A 50 -3.520 -10.051 -11.571 1.00 0.00 O ATOM 740 OE2 GLU A 50 -1.474 -9.904 -12.481 1.00 0.00 O ATOM 0 H GLU A 50 -3.046 -7.651 -6.924 1.00 0.00 H new ATOM 0 HA GLU A 50 -3.495 -6.872 -9.723 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -1.902 -8.840 -8.445 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.182 -9.709 -9.267 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -2.152 -7.542 -10.951 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.853 -8.600 -10.438 1.00 0.00 H new ATOM 746 N ASP A 51 -5.584 -8.345 -7.761 1.00 0.00 N ATOM 747 CA ASP A 51 -6.951 -8.817 -7.622 1.00 0.00 C ATOM 748 C ASP A 51 -7.741 -7.832 -6.759 1.00 0.00 C ATOM 749 O ASP A 51 -8.207 -8.185 -5.676 1.00 0.00 O ATOM 750 CB ASP A 51 -6.995 -10.185 -6.939 1.00 0.00 C ATOM 751 CG ASP A 51 -8.398 -10.754 -6.719 1.00 0.00 C ATOM 752 OD1 ASP A 51 -9.399 -10.177 -7.171 1.00 0.00 O ATOM 753 OD2 ASP A 51 -8.442 -11.852 -6.043 1.00 0.00 O ATOM 0 H ASP A 51 -5.087 -8.213 -6.880 1.00 0.00 H new ATOM 0 HA ASP A 51 -7.382 -8.898 -8.620 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -6.423 -10.892 -7.539 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -6.495 -10.108 -5.973 1.00 0.00 H new ATOM 758 N LEU A 52 -7.869 -6.616 -7.271 1.00 0.00 N ATOM 759 CA LEU A 52 -8.595 -5.578 -6.560 1.00 0.00 C ATOM 760 C LEU A 52 -10.089 -5.706 -6.865 1.00 0.00 C ATOM 761 O LEU A 52 -10.552 -5.258 -7.912 1.00 0.00 O ATOM 762 CB LEU A 52 -8.016 -4.200 -6.887 1.00 0.00 C ATOM 763 CG LEU A 52 -8.445 -3.056 -5.966 1.00 0.00 C ATOM 764 CD1 LEU A 52 -9.961 -3.059 -5.758 1.00 0.00 C ATOM 765 CD2 LEU A 52 -7.685 -3.105 -4.639 1.00 0.00 C ATOM 0 H LEU A 52 -7.482 -6.327 -8.169 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.478 -5.700 -5.483 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -6.929 -4.270 -6.864 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.297 -3.943 -7.908 1.00 0.00 H new ATOM 0 HG LEU A 52 -8.188 -2.114 -6.450 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -10.240 -2.236 -5.100 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -10.460 -2.940 -6.719 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -10.264 -4.004 -5.306 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -8.009 -2.281 -4.003 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -7.888 -4.051 -4.138 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -6.615 -3.018 -4.829 1.00 0.00 H new ATOM 776 N SER A 53 -10.801 -6.319 -5.931 1.00 0.00 N ATOM 777 CA SER A 53 -12.233 -6.511 -6.087 1.00 0.00 C ATOM 778 C SER A 53 -12.993 -5.503 -5.224 1.00 0.00 C ATOM 779 O SER A 53 -13.324 -4.411 -5.683 1.00 0.00 O ATOM 780 CB SER A 53 -12.639 -7.940 -5.720 1.00 0.00 C ATOM 781 OG SER A 53 -14.054 -8.081 -5.614 1.00 0.00 O ATOM 0 H SER A 53 -10.413 -6.689 -5.063 1.00 0.00 H new ATOM 0 HA SER A 53 -12.489 -6.347 -7.134 1.00 0.00 H new ATOM 0 HB2 SER A 53 -12.261 -8.630 -6.475 1.00 0.00 H new ATOM 0 HB3 SER A 53 -12.175 -8.217 -4.774 1.00 0.00 H new ATOM 0 HG SER A 53 -14.274 -9.007 -5.380 1.00 0.00 H new ATOM 786 N PHE A 54 -13.248 -5.905 -3.987 1.00 0.00 N ATOM 787 CA PHE A 54 -13.964 -5.050 -3.055 1.00 0.00 C ATOM 788 C PHE A 54 -13.190 -3.756 -2.793 1.00 0.00 C ATOM 789 O PHE A 54 -13.481 -2.723 -3.395 1.00 0.00 O ATOM 790 CB PHE A 54 -14.091 -5.828 -1.743 1.00 0.00 C ATOM 791 CG PHE A 54 -14.794 -5.054 -0.626 1.00 0.00 C ATOM 792 CD1 PHE A 54 -16.127 -4.800 -0.709 1.00 0.00 C ATOM 793 CD2 PHE A 54 -14.085 -4.618 0.449 1.00 0.00 C ATOM 794 CE1 PHE A 54 -16.780 -4.082 0.328 1.00 0.00 C ATOM 795 CE2 PHE A 54 -14.737 -3.900 1.486 1.00 0.00 C ATOM 796 CZ PHE A 54 -16.071 -3.646 1.403 1.00 0.00 C ATOM 0 H PHE A 54 -12.972 -6.811 -3.609 1.00 0.00 H new ATOM 0 HA PHE A 54 -14.937 -4.783 -3.467 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -14.639 -6.751 -1.932 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -13.095 -6.112 -1.403 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -16.690 -5.144 -1.564 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -13.026 -4.818 0.514 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -17.839 -3.882 0.263 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -14.174 -3.555 2.341 1.00 0.00 H new ATOM 0 HZ PHE A 54 -16.567 -3.098 2.191 1.00 0.00 H new ATOM 805 N MET A 55 -12.221 -3.854 -1.895 1.00 0.00 N ATOM 806 CA MET A 55 -11.405 -2.705 -1.547 1.00 0.00 C ATOM 807 C MET A 55 -12.272 -1.465 -1.317 1.00 0.00 C ATOM 808 O MET A 55 -12.482 -0.672 -2.234 1.00 0.00 O ATOM 809 CB MET A 55 -10.406 -2.428 -2.673 1.00 0.00 C ATOM 810 CG MET A 55 -9.609 -1.151 -2.397 1.00 0.00 C ATOM 811 SD MET A 55 -8.634 -1.348 -0.914 1.00 0.00 S ATOM 812 CE MET A 55 -9.921 -1.244 0.319 1.00 0.00 C ATOM 0 H MET A 55 -11.983 -4.712 -1.398 1.00 0.00 H new ATOM 0 HA MET A 55 -10.872 -2.929 -0.623 1.00 0.00 H new ATOM 0 HB2 MET A 55 -9.724 -3.272 -2.774 1.00 0.00 H new ATOM 0 HB3 MET A 55 -10.937 -2.332 -3.620 1.00 0.00 H new ATOM 0 HG2 MET A 55 -8.959 -0.929 -3.243 1.00 0.00 H new ATOM 0 HG3 MET A 55 -10.288 -0.306 -2.286 1.00 0.00 H new ATOM 0 HE1 MET A 55 -9.473 -1.081 1.299 1.00 0.00 H new ATOM 0 HE2 MET A 55 -10.587 -0.414 0.081 1.00 0.00 H new ATOM 0 HE3 MET A 55 -10.490 -2.174 0.330 1.00 0.00 H new ATOM 820 N ASP A 56 -12.752 -1.337 -0.089 1.00 0.00 N ATOM 821 CA ASP A 56 -13.592 -0.208 0.272 1.00 0.00 C ATOM 822 C ASP A 56 -12.815 0.721 1.206 1.00 0.00 C ATOM 823 O ASP A 56 -11.606 0.890 1.056 1.00 0.00 O ATOM 824 CB ASP A 56 -14.852 -0.671 1.007 1.00 0.00 C ATOM 825 CG ASP A 56 -16.070 0.240 0.838 1.00 0.00 C ATOM 826 OD1 ASP A 56 -16.099 1.111 -0.044 1.00 0.00 O ATOM 827 OD2 ASP A 56 -17.031 0.024 1.672 1.00 0.00 O ATOM 0 H ASP A 56 -12.575 -1.997 0.669 1.00 0.00 H new ATOM 0 HA ASP A 56 -13.878 0.306 -0.645 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -15.113 -1.670 0.657 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -14.624 -0.755 2.070 1.00 0.00 H new ATOM 832 N SER A 57 -13.542 1.299 2.152 1.00 0.00 N ATOM 833 CA SER A 57 -12.936 2.207 3.112 1.00 0.00 C ATOM 834 C SER A 57 -12.588 1.454 4.397 1.00 0.00 C ATOM 835 O SER A 57 -12.168 2.061 5.382 1.00 0.00 O ATOM 836 CB SER A 57 -13.865 3.383 3.420 1.00 0.00 C ATOM 837 OG SER A 57 -13.213 4.638 3.247 1.00 0.00 O ATOM 0 H SER A 57 -14.545 1.156 2.274 1.00 0.00 H new ATOM 0 HA SER A 57 -12.021 2.607 2.674 1.00 0.00 H new ATOM 0 HB2 SER A 57 -14.738 3.335 2.769 1.00 0.00 H new ATOM 0 HB3 SER A 57 -14.227 3.301 4.445 1.00 0.00 H new ATOM 0 HG SER A 57 -13.840 5.363 3.452 1.00 0.00 H new ATOM 842 N SER A 58 -12.776 0.144 4.347 1.00 0.00 N ATOM 843 CA SER A 58 -12.487 -0.698 5.495 1.00 0.00 C ATOM 844 C SER A 58 -10.997 -0.632 5.831 1.00 0.00 C ATOM 845 O SER A 58 -10.624 -0.317 6.960 1.00 0.00 O ATOM 846 CB SER A 58 -12.910 -2.146 5.237 1.00 0.00 C ATOM 847 OG SER A 58 -13.670 -2.274 4.038 1.00 0.00 O ATOM 0 H SER A 58 -13.125 -0.355 3.529 1.00 0.00 H new ATOM 0 HA SER A 58 -13.061 -0.326 6.344 1.00 0.00 H new ATOM 0 HB2 SER A 58 -12.023 -2.777 5.174 1.00 0.00 H new ATOM 0 HB3 SER A 58 -13.499 -2.508 6.080 1.00 0.00 H new ATOM 0 HG SER A 58 -14.489 -2.780 4.222 1.00 0.00 H new ATOM 852 N GLY A 59 -10.183 -0.935 4.830 1.00 0.00 N ATOM 853 CA GLY A 59 -8.740 -0.914 5.006 1.00 0.00 C ATOM 854 C GLY A 59 -8.176 0.482 4.737 1.00 0.00 C ATOM 855 O GLY A 59 -6.968 0.695 4.826 1.00 0.00 O ATOM 0 H GLY A 59 -10.495 -1.196 3.895 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.489 -1.222 6.021 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.277 -1.634 4.331 1.00 0.00 H new ATOM 859 N LEU A 60 -9.077 1.397 4.412 1.00 0.00 N ATOM 860 CA LEU A 60 -8.684 2.768 4.130 1.00 0.00 C ATOM 861 C LEU A 60 -7.806 3.287 5.271 1.00 0.00 C ATOM 862 O LEU A 60 -6.790 3.938 5.029 1.00 0.00 O ATOM 863 CB LEU A 60 -9.915 3.634 3.859 1.00 0.00 C ATOM 864 CG LEU A 60 -9.932 4.376 2.521 1.00 0.00 C ATOM 865 CD1 LEU A 60 -9.187 5.707 2.625 1.00 0.00 C ATOM 866 CD2 LEU A 60 -9.382 3.495 1.399 1.00 0.00 C ATOM 0 H LEU A 60 -10.078 1.216 4.338 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.085 2.813 3.220 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -10.800 2.999 3.911 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -10.002 4.368 4.660 1.00 0.00 H new ATOM 0 HG LEU A 60 -10.967 4.606 2.269 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.213 6.215 1.661 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -9.665 6.333 3.379 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.151 5.523 2.910 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -9.405 4.046 0.459 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -8.355 3.212 1.629 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -9.994 2.597 1.308 1.00 0.00 H new ATOM 877 N GLY A 61 -8.229 2.979 6.488 1.00 0.00 N ATOM 878 CA GLY A 61 -7.494 3.408 7.666 1.00 0.00 C ATOM 879 C GLY A 61 -6.293 2.495 7.924 1.00 0.00 C ATOM 880 O GLY A 61 -5.241 2.958 8.361 1.00 0.00 O ATOM 0 H GLY A 61 -9.071 2.438 6.684 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -7.153 4.435 7.533 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -8.154 3.401 8.534 1.00 0.00 H new ATOM 884 N VAL A 62 -6.490 1.216 7.641 1.00 0.00 N ATOM 885 CA VAL A 62 -5.437 0.235 7.837 1.00 0.00 C ATOM 886 C VAL A 62 -4.273 0.548 6.894 1.00 0.00 C ATOM 887 O VAL A 62 -3.142 0.129 7.137 1.00 0.00 O ATOM 888 CB VAL A 62 -5.995 -1.177 7.650 1.00 0.00 C ATOM 889 CG1 VAL A 62 -5.517 -1.785 6.330 1.00 0.00 C ATOM 890 CG2 VAL A 62 -5.624 -2.074 8.832 1.00 0.00 C ATOM 0 H VAL A 62 -7.364 0.836 7.277 1.00 0.00 H new ATOM 0 HA VAL A 62 -5.053 0.285 8.856 1.00 0.00 H new ATOM 0 HB VAL A 62 -7.082 -1.105 7.612 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.928 -2.789 6.222 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -5.854 -1.164 5.500 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -4.428 -1.836 6.326 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -6.033 -3.072 8.674 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -4.539 -2.135 8.916 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -6.035 -1.655 9.750 1.00 0.00 H new ATOM 900 N ILE A 63 -4.590 1.282 5.839 1.00 0.00 N ATOM 901 CA ILE A 63 -3.585 1.656 4.857 1.00 0.00 C ATOM 902 C ILE A 63 -3.041 3.046 5.196 1.00 0.00 C ATOM 903 O ILE A 63 -1.849 3.304 5.038 1.00 0.00 O ATOM 904 CB ILE A 63 -4.151 1.545 3.441 1.00 0.00 C ATOM 905 CG1 ILE A 63 -4.029 0.115 2.912 1.00 0.00 C ATOM 906 CG2 ILE A 63 -3.492 2.561 2.506 1.00 0.00 C ATOM 907 CD1 ILE A 63 -5.408 -0.489 2.640 1.00 0.00 C ATOM 0 H ILE A 63 -5.529 1.629 5.642 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.742 0.966 4.892 1.00 0.00 H new ATOM 0 HB ILE A 63 -5.214 1.784 3.478 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.439 0.112 1.995 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.495 -0.500 3.636 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.913 2.461 1.505 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.675 3.569 2.877 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.418 2.378 2.468 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -5.292 -1.506 2.265 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -5.986 -0.507 3.564 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.930 0.115 1.897 1.00 0.00 H new ATOM 918 N LEU A 64 -3.941 3.903 5.655 1.00 0.00 N ATOM 919 CA LEU A 64 -3.566 5.259 6.016 1.00 0.00 C ATOM 920 C LEU A 64 -2.655 5.222 7.244 1.00 0.00 C ATOM 921 O LEU A 64 -1.613 5.874 7.268 1.00 0.00 O ATOM 922 CB LEU A 64 -4.812 6.128 6.200 1.00 0.00 C ATOM 923 CG LEU A 64 -4.778 7.502 5.527 1.00 0.00 C ATOM 924 CD1 LEU A 64 -5.664 7.524 4.281 1.00 0.00 C ATOM 925 CD2 LEU A 64 -5.152 8.606 6.517 1.00 0.00 C ATOM 0 H LEU A 64 -4.929 3.684 5.785 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.997 5.724 5.211 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.673 5.579 5.817 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -4.975 6.273 7.268 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.757 7.697 5.199 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -5.622 8.512 3.822 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -5.310 6.778 3.570 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.693 7.298 4.562 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.120 9.572 6.014 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.158 8.428 6.898 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.445 8.606 7.347 1.00 0.00 H new ATOM 936 N GLY A 65 -3.082 4.452 8.235 1.00 0.00 N ATOM 937 CA GLY A 65 -2.318 4.322 9.464 1.00 0.00 C ATOM 938 C GLY A 65 -0.998 3.589 9.213 1.00 0.00 C ATOM 939 O GLY A 65 -0.104 3.606 10.058 1.00 0.00 O ATOM 0 H GLY A 65 -3.947 3.912 8.211 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -2.117 5.310 9.878 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.904 3.779 10.206 1.00 0.00 H new ATOM 943 N ARG A 66 -0.917 2.964 8.048 1.00 0.00 N ATOM 944 CA ARG A 66 0.278 2.227 7.676 1.00 0.00 C ATOM 945 C ARG A 66 1.184 3.094 6.798 1.00 0.00 C ATOM 946 O ARG A 66 2.406 3.055 6.933 1.00 0.00 O ATOM 947 CB ARG A 66 -0.077 0.945 6.919 1.00 0.00 C ATOM 948 CG ARG A 66 0.482 -0.286 7.633 1.00 0.00 C ATOM 949 CD ARG A 66 0.905 -1.359 6.627 1.00 0.00 C ATOM 950 NE ARG A 66 1.846 -0.785 5.640 1.00 0.00 N ATOM 951 CZ ARG A 66 1.557 -0.606 4.334 1.00 0.00 C ATOM 952 NH1 ARG A 66 0.347 -0.957 3.846 1.00 0.00 N ATOM 953 NH2 ARG A 66 2.473 -0.084 3.541 1.00 0.00 N ATOM 0 H ARG A 66 -1.660 2.953 7.349 1.00 0.00 H new ATOM 0 HA ARG A 66 0.801 1.960 8.594 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -1.160 0.858 6.831 1.00 0.00 H new ATOM 0 HB3 ARG A 66 0.322 0.994 5.906 1.00 0.00 H new ATOM 0 HG2 ARG A 66 1.337 0.001 8.245 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -0.271 -0.692 8.308 1.00 0.00 H new ATOM 0 HD2 ARG A 66 1.376 -2.193 7.148 1.00 0.00 H new ATOM 0 HD3 ARG A 66 0.028 -1.757 6.117 1.00 0.00 H new ATOM 0 HE ARG A 66 2.771 -0.507 5.967 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -0.355 -1.360 4.466 1.00 0.00 H new ATOM 0 HH12 ARG A 66 0.136 -0.819 2.858 1.00 0.00 H new ATOM 0 HH21 ARG A 66 3.384 0.178 3.917 1.00 0.00 H new ATOM 0 HH22 ARG A 66 2.270 0.058 2.551 1.00 0.00 H new ATOM 963 N TYR A 67 0.550 3.856 5.919 1.00 0.00 N ATOM 964 CA TYR A 67 1.283 4.730 5.020 1.00 0.00 C ATOM 965 C TYR A 67 2.365 5.507 5.773 1.00 0.00 C ATOM 966 O TYR A 67 3.515 5.555 5.338 1.00 0.00 O ATOM 967 CB TYR A 67 0.256 5.719 4.463 1.00 0.00 C ATOM 968 CG TYR A 67 0.561 6.198 3.043 1.00 0.00 C ATOM 969 CD1 TYR A 67 0.192 5.425 1.961 1.00 0.00 C ATOM 970 CD2 TYR A 67 1.204 7.403 2.843 1.00 0.00 C ATOM 971 CE1 TYR A 67 0.478 5.875 0.623 1.00 0.00 C ATOM 972 CE2 TYR A 67 1.491 7.854 1.506 1.00 0.00 C ATOM 973 CZ TYR A 67 1.113 7.068 0.462 1.00 0.00 C ATOM 974 OH TYR A 67 1.384 7.493 -0.801 1.00 0.00 O ATOM 0 H TYR A 67 -0.464 3.886 5.810 1.00 0.00 H new ATOM 0 HA TYR A 67 1.774 4.152 4.237 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -0.728 5.250 4.474 1.00 0.00 H new ATOM 0 HB3 TYR A 67 0.204 6.584 5.124 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -0.311 4.482 2.118 1.00 0.00 H new ATOM 0 HD2 TYR A 67 1.492 8.008 3.690 1.00 0.00 H new ATOM 0 HE1 TYR A 67 0.195 5.280 -0.233 1.00 0.00 H new ATOM 0 HE2 TYR A 67 1.995 8.794 1.336 1.00 0.00 H new ATOM 0 HH TYR A 67 0.903 6.932 -1.445 1.00 0.00 H new ATOM 983 N LYS A 68 1.960 6.097 6.887 1.00 0.00 N ATOM 984 CA LYS A 68 2.880 6.868 7.704 1.00 0.00 C ATOM 985 C LYS A 68 3.766 5.914 8.507 1.00 0.00 C ATOM 986 O LYS A 68 4.949 6.185 8.713 1.00 0.00 O ATOM 987 CB LYS A 68 2.116 7.873 8.570 1.00 0.00 C ATOM 988 CG LYS A 68 0.735 8.166 7.979 1.00 0.00 C ATOM 989 CD LYS A 68 0.293 9.594 8.302 1.00 0.00 C ATOM 990 CE LYS A 68 0.217 9.817 9.814 1.00 0.00 C ATOM 991 NZ LYS A 68 -0.993 10.592 10.164 1.00 0.00 N ATOM 0 H LYS A 68 1.005 6.056 7.244 1.00 0.00 H new ATOM 0 HA LYS A 68 3.541 7.463 7.074 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.007 7.479 9.581 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.686 8.799 8.648 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.760 8.025 6.898 1.00 0.00 H new ATOM 0 HG3 LYS A 68 0.008 7.458 8.376 1.00 0.00 H new ATOM 0 HD2 LYS A 68 0.993 10.303 7.861 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -0.681 9.787 7.853 1.00 0.00 H new ATOM 0 HE2 LYS A 68 0.202 8.856 10.329 1.00 0.00 H new ATOM 0 HE3 LYS A 68 1.106 10.347 10.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -1.029 10.734 11.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -0.963 11.516 9.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -1.839 10.072 9.857 1.00 0.00 H new ATOM 1000 N GLN A 69 3.161 4.817 8.938 1.00 0.00 N ATOM 1001 CA GLN A 69 3.881 3.821 9.713 1.00 0.00 C ATOM 1002 C GLN A 69 4.865 3.063 8.821 1.00 0.00 C ATOM 1003 O GLN A 69 5.833 2.484 9.311 1.00 0.00 O ATOM 1004 CB GLN A 69 2.912 2.858 10.402 1.00 0.00 C ATOM 1005 CG GLN A 69 2.993 2.993 11.924 1.00 0.00 C ATOM 1006 CD GLN A 69 1.752 3.696 12.480 1.00 0.00 C ATOM 1007 OE1 GLN A 69 1.700 4.908 12.611 1.00 0.00 O ATOM 1008 NE2 GLN A 69 0.760 2.870 12.797 1.00 0.00 N ATOM 0 H GLN A 69 2.180 4.596 8.765 1.00 0.00 H new ATOM 0 HA GLN A 69 4.447 4.334 10.490 1.00 0.00 H new ATOM 0 HB2 GLN A 69 1.894 3.061 10.069 1.00 0.00 H new ATOM 0 HB3 GLN A 69 3.144 1.833 10.111 1.00 0.00 H new ATOM 0 HG2 GLN A 69 3.089 2.006 12.376 1.00 0.00 H new ATOM 0 HG3 GLN A 69 3.886 3.556 12.196 1.00 0.00 H new ATOM 0 HE21 GLN A 69 0.870 1.865 12.662 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -0.111 3.241 13.175 1.00 0.00 H new ATOM 1015 N ILE A 70 4.583 3.091 7.527 1.00 0.00 N ATOM 1016 CA ILE A 70 5.433 2.414 6.561 1.00 0.00 C ATOM 1017 C ILE A 70 6.405 3.424 5.949 1.00 0.00 C ATOM 1018 O ILE A 70 7.583 3.122 5.764 1.00 0.00 O ATOM 1019 CB ILE A 70 4.583 1.673 5.527 1.00 0.00 C ATOM 1020 CG1 ILE A 70 5.361 0.509 4.912 1.00 0.00 C ATOM 1021 CG2 ILE A 70 4.052 2.636 4.463 1.00 0.00 C ATOM 1022 CD1 ILE A 70 6.863 0.801 4.896 1.00 0.00 C ATOM 0 H ILE A 70 3.778 3.572 7.124 1.00 0.00 H new ATOM 0 HA ILE A 70 6.035 1.649 7.052 1.00 0.00 H new ATOM 0 HB ILE A 70 3.718 1.248 6.036 1.00 0.00 H new ATOM 0 HG12 ILE A 70 5.170 -0.401 5.480 1.00 0.00 H new ATOM 0 HG13 ILE A 70 5.011 0.330 3.895 1.00 0.00 H new ATOM 0 HG21 ILE A 70 3.451 2.084 3.740 1.00 0.00 H new ATOM 0 HG22 ILE A 70 3.437 3.400 4.938 1.00 0.00 H new ATOM 0 HG23 ILE A 70 4.889 3.111 3.952 1.00 0.00 H new ATOM 0 HD11 ILE A 70 7.393 -0.043 4.454 1.00 0.00 H new ATOM 0 HD12 ILE A 70 7.053 1.698 4.307 1.00 0.00 H new ATOM 0 HD13 ILE A 70 7.214 0.956 5.916 1.00 0.00 H new ATOM 1033 N LYS A 71 5.876 4.601 5.650 1.00 0.00 N ATOM 1034 CA LYS A 71 6.683 5.657 5.061 1.00 0.00 C ATOM 1035 C LYS A 71 7.751 6.097 6.065 1.00 0.00 C ATOM 1036 O LYS A 71 8.861 6.459 5.679 1.00 0.00 O ATOM 1037 CB LYS A 71 5.795 6.799 4.567 1.00 0.00 C ATOM 1038 CG LYS A 71 5.712 7.919 5.607 1.00 0.00 C ATOM 1039 CD LYS A 71 6.471 9.161 5.136 1.00 0.00 C ATOM 1040 CE LYS A 71 7.906 8.808 4.738 1.00 0.00 C ATOM 1041 NZ LYS A 71 8.810 8.924 5.905 1.00 0.00 N ATOM 0 H LYS A 71 4.898 4.847 5.804 1.00 0.00 H new ATOM 0 HA LYS A 71 7.207 5.289 4.179 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.192 7.195 3.632 1.00 0.00 H new ATOM 0 HB3 LYS A 71 4.795 6.421 4.354 1.00 0.00 H new ATOM 0 HG2 LYS A 71 4.668 8.174 5.790 1.00 0.00 H new ATOM 0 HG3 LYS A 71 6.126 7.573 6.554 1.00 0.00 H new ATOM 0 HD2 LYS A 71 5.954 9.608 4.287 1.00 0.00 H new ATOM 0 HD3 LYS A 71 6.483 9.907 5.930 1.00 0.00 H new ATOM 0 HE2 LYS A 71 7.941 7.793 4.343 1.00 0.00 H new ATOM 0 HE3 LYS A 71 8.243 9.472 3.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 9.506 9.677 5.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 8.254 9.155 6.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 9.306 8.022 6.051 1.00 0.00 H new ATOM 1050 N GLN A 72 7.377 6.052 7.335 1.00 0.00 N ATOM 1051 CA GLN A 72 8.287 6.442 8.398 1.00 0.00 C ATOM 1052 C GLN A 72 9.533 5.554 8.382 1.00 0.00 C ATOM 1053 O GLN A 72 10.645 6.036 8.591 1.00 0.00 O ATOM 1054 CB GLN A 72 7.594 6.390 9.761 1.00 0.00 C ATOM 1055 CG GLN A 72 8.578 5.990 10.862 1.00 0.00 C ATOM 1056 CD GLN A 72 8.430 6.895 12.086 1.00 0.00 C ATOM 1057 OE1 GLN A 72 7.511 7.691 12.194 1.00 0.00 O ATOM 1058 NE2 GLN A 72 9.382 6.729 13.001 1.00 0.00 N ATOM 0 H GLN A 72 6.455 5.751 7.652 1.00 0.00 H new ATOM 0 HA GLN A 72 8.596 7.473 8.224 1.00 0.00 H new ATOM 0 HB2 GLN A 72 7.162 7.364 9.991 1.00 0.00 H new ATOM 0 HB3 GLN A 72 6.771 5.676 9.727 1.00 0.00 H new ATOM 0 HG2 GLN A 72 8.405 4.953 11.149 1.00 0.00 H new ATOM 0 HG3 GLN A 72 9.598 6.050 10.482 1.00 0.00 H new ATOM 0 HE21 GLN A 72 10.123 6.045 12.848 1.00 0.00 H new ATOM 0 HE22 GLN A 72 9.371 7.286 13.855 1.00 0.00 H new ATOM 1065 N ILE A 73 9.305 4.274 8.132 1.00 0.00 N ATOM 1066 CA ILE A 73 10.395 3.315 8.085 1.00 0.00 C ATOM 1067 C ILE A 73 10.411 2.632 6.716 1.00 0.00 C ATOM 1068 O ILE A 73 10.892 1.508 6.585 1.00 0.00 O ATOM 1069 CB ILE A 73 10.299 2.337 9.259 1.00 0.00 C ATOM 1070 CG1 ILE A 73 9.612 2.989 10.461 1.00 0.00 C ATOM 1071 CG2 ILE A 73 11.676 1.777 9.620 1.00 0.00 C ATOM 1072 CD1 ILE A 73 8.092 2.824 10.380 1.00 0.00 C ATOM 0 H ILE A 73 8.381 3.878 7.960 1.00 0.00 H new ATOM 0 HA ILE A 73 11.353 3.822 8.199 1.00 0.00 H new ATOM 0 HB ILE A 73 9.679 1.494 8.952 1.00 0.00 H new ATOM 0 HG12 ILE A 73 9.981 2.540 11.383 1.00 0.00 H new ATOM 0 HG13 ILE A 73 9.865 4.049 10.498 1.00 0.00 H new ATOM 0 HG21 ILE A 73 11.579 1.085 10.457 1.00 0.00 H new ATOM 0 HG22 ILE A 73 12.092 1.251 8.760 1.00 0.00 H new ATOM 0 HG23 ILE A 73 12.339 2.595 9.900 1.00 0.00 H new ATOM 0 HD11 ILE A 73 7.628 3.296 11.246 1.00 0.00 H new ATOM 0 HD12 ILE A 73 7.723 3.295 9.469 1.00 0.00 H new ATOM 0 HD13 ILE A 73 7.841 1.763 10.367 1.00 0.00 H new ATOM 1083 N GLY A 74 9.878 3.341 5.731 1.00 0.00 N ATOM 1084 CA GLY A 74 9.825 2.818 4.377 1.00 0.00 C ATOM 1085 C GLY A 74 10.356 3.842 3.372 1.00 0.00 C ATOM 1086 O GLY A 74 10.355 3.593 2.168 1.00 0.00 O ATOM 0 H GLY A 74 9.479 4.273 5.844 1.00 0.00 H new ATOM 0 HA2 GLY A 74 10.413 1.902 4.314 1.00 0.00 H new ATOM 0 HA3 GLY A 74 8.798 2.555 4.125 1.00 0.00 H new ATOM 1090 N GLY A 75 10.796 4.972 3.904 1.00 0.00 N ATOM 1091 CA GLY A 75 11.328 6.035 3.070 1.00 0.00 C ATOM 1092 C GLY A 75 10.217 6.703 2.257 1.00 0.00 C ATOM 1093 O GLY A 75 9.970 7.899 2.404 1.00 0.00 O ATOM 0 H GLY A 75 10.795 5.175 4.904 1.00 0.00 H new ATOM 0 HA2 GLY A 75 11.824 6.778 3.694 1.00 0.00 H new ATOM 0 HA3 GLY A 75 12.083 5.630 2.396 1.00 0.00 H new ATOM 1097 N GLU A 76 9.577 5.901 1.419 1.00 0.00 N ATOM 1098 CA GLU A 76 8.499 6.400 0.583 1.00 0.00 C ATOM 1099 C GLU A 76 7.366 5.374 0.511 1.00 0.00 C ATOM 1100 O GLU A 76 7.610 4.170 0.568 1.00 0.00 O ATOM 1101 CB GLU A 76 9.008 6.755 -0.816 1.00 0.00 C ATOM 1102 CG GLU A 76 10.308 7.556 -0.739 1.00 0.00 C ATOM 1103 CD GLU A 76 10.026 9.031 -0.441 1.00 0.00 C ATOM 1104 OE1 GLU A 76 10.300 9.501 0.673 1.00 0.00 O ATOM 1105 OE2 GLU A 76 9.504 9.694 -1.417 1.00 0.00 O ATOM 0 H GLU A 76 9.784 4.909 1.301 1.00 0.00 H new ATOM 0 HA GLU A 76 8.109 7.313 1.033 1.00 0.00 H new ATOM 0 HB2 GLU A 76 9.172 5.843 -1.389 1.00 0.00 H new ATOM 0 HB3 GLU A 76 8.251 7.333 -1.346 1.00 0.00 H new ATOM 0 HG2 GLU A 76 10.950 7.141 0.038 1.00 0.00 H new ATOM 0 HG3 GLU A 76 10.850 7.469 -1.681 1.00 0.00 H new ATOM 1111 N MET A 77 6.151 5.888 0.385 1.00 0.00 N ATOM 1112 CA MET A 77 4.980 5.032 0.304 1.00 0.00 C ATOM 1113 C MET A 77 4.391 5.041 -1.107 1.00 0.00 C ATOM 1114 O MET A 77 4.081 6.102 -1.648 1.00 0.00 O ATOM 1115 CB MET A 77 3.925 5.514 1.301 1.00 0.00 C ATOM 1116 CG MET A 77 3.073 4.347 1.805 1.00 0.00 C ATOM 1117 SD MET A 77 2.277 3.534 0.431 1.00 0.00 S ATOM 1118 CE MET A 77 1.122 2.496 1.311 1.00 0.00 C ATOM 0 H MET A 77 5.952 6.887 0.337 1.00 0.00 H new ATOM 0 HA MET A 77 5.281 4.013 0.545 1.00 0.00 H new ATOM 0 HB2 MET A 77 4.413 6.003 2.144 1.00 0.00 H new ATOM 0 HB3 MET A 77 3.285 6.258 0.827 1.00 0.00 H new ATOM 0 HG2 MET A 77 3.698 3.637 2.346 1.00 0.00 H new ATOM 0 HG3 MET A 77 2.323 4.710 2.507 1.00 0.00 H new ATOM 0 HE1 MET A 77 0.192 2.426 0.746 1.00 0.00 H new ATOM 0 HE2 MET A 77 1.548 1.500 1.434 1.00 0.00 H new ATOM 0 HE3 MET A 77 0.919 2.927 2.291 1.00 0.00 H new ATOM 1126 N VAL A 78 4.255 3.846 -1.665 1.00 0.00 N ATOM 1127 CA VAL A 78 3.708 3.703 -3.004 1.00 0.00 C ATOM 1128 C VAL A 78 2.441 2.848 -2.943 1.00 0.00 C ATOM 1129 O VAL A 78 2.221 2.125 -1.973 1.00 0.00 O ATOM 1130 CB VAL A 78 4.772 3.132 -3.944 1.00 0.00 C ATOM 1131 CG1 VAL A 78 4.498 1.659 -4.252 1.00 0.00 C ATOM 1132 CG2 VAL A 78 4.861 3.953 -5.233 1.00 0.00 C ATOM 0 H VAL A 78 4.514 2.969 -1.214 1.00 0.00 H new ATOM 0 HA VAL A 78 3.424 4.675 -3.408 1.00 0.00 H new ATOM 0 HB VAL A 78 5.735 3.195 -3.438 1.00 0.00 H new ATOM 0 HG11 VAL A 78 5.269 1.278 -4.922 1.00 0.00 H new ATOM 0 HG12 VAL A 78 4.507 1.086 -3.325 1.00 0.00 H new ATOM 0 HG13 VAL A 78 3.523 1.562 -4.729 1.00 0.00 H new ATOM 0 HG21 VAL A 78 5.624 3.527 -5.884 1.00 0.00 H new ATOM 0 HG22 VAL A 78 3.898 3.935 -5.743 1.00 0.00 H new ATOM 0 HG23 VAL A 78 5.124 4.983 -4.991 1.00 0.00 H new ATOM 1142 N VAL A 79 1.642 2.957 -3.994 1.00 0.00 N ATOM 1143 CA VAL A 79 0.403 2.203 -4.074 1.00 0.00 C ATOM 1144 C VAL A 79 -0.195 2.356 -5.474 1.00 0.00 C ATOM 1145 O VAL A 79 -0.503 3.467 -5.902 1.00 0.00 O ATOM 1146 CB VAL A 79 -0.553 2.646 -2.964 1.00 0.00 C ATOM 1147 CG1 VAL A 79 -1.032 4.081 -3.195 1.00 0.00 C ATOM 1148 CG2 VAL A 79 -1.736 1.685 -2.843 1.00 0.00 C ATOM 0 H VAL A 79 1.829 3.557 -4.798 1.00 0.00 H new ATOM 0 HA VAL A 79 0.593 1.141 -3.917 1.00 0.00 H new ATOM 0 HB VAL A 79 -0.006 2.623 -2.021 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.710 4.372 -2.393 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.174 4.753 -3.207 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -1.553 4.141 -4.150 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -2.400 2.023 -2.047 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -2.283 1.661 -3.786 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -1.370 0.685 -2.610 1.00 0.00 H new ATOM 1158 N CYS A 80 -0.339 1.225 -6.148 1.00 0.00 N ATOM 1159 CA CYS A 80 -0.895 1.220 -7.491 1.00 0.00 C ATOM 1160 C CYS A 80 -2.105 0.283 -7.508 1.00 0.00 C ATOM 1161 O CYS A 80 -2.610 -0.101 -6.455 1.00 0.00 O ATOM 1162 CB CYS A 80 0.152 0.820 -8.535 1.00 0.00 C ATOM 1163 SG CYS A 80 0.590 -0.946 -8.335 1.00 0.00 S ATOM 0 H CYS A 80 -0.081 0.306 -5.790 1.00 0.00 H new ATOM 0 HA CYS A 80 -1.214 2.227 -7.759 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -0.237 0.996 -9.538 1.00 0.00 H new ATOM 0 HB3 CYS A 80 1.042 1.439 -8.425 1.00 0.00 H new ATOM 0 HG CYS A 80 1.274 -1.102 -7.240 1.00 0.00 H new ATOM 1168 N ALA A 81 -2.533 -0.056 -8.715 1.00 0.00 N ATOM 1169 CA ALA A 81 -3.674 -0.940 -8.882 1.00 0.00 C ATOM 1170 C ALA A 81 -4.959 -0.174 -8.562 1.00 0.00 C ATOM 1171 O ALA A 81 -5.887 -0.729 -7.976 1.00 0.00 O ATOM 1172 CB ALA A 81 -3.497 -2.175 -7.998 1.00 0.00 C ATOM 0 H ALA A 81 -2.111 0.265 -9.586 1.00 0.00 H new ATOM 0 HA ALA A 81 -3.744 -1.285 -9.914 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -4.353 -2.838 -8.123 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.586 -2.700 -8.285 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.425 -1.868 -6.954 1.00 0.00 H new ATOM 1178 N ILE A 82 -4.971 1.090 -8.961 1.00 0.00 N ATOM 1179 CA ILE A 82 -6.127 1.938 -8.723 1.00 0.00 C ATOM 1180 C ILE A 82 -7.351 1.327 -9.409 1.00 0.00 C ATOM 1181 O ILE A 82 -7.229 0.364 -10.163 1.00 0.00 O ATOM 1182 CB ILE A 82 -5.834 3.376 -9.156 1.00 0.00 C ATOM 1183 CG1 ILE A 82 -6.806 4.356 -8.495 1.00 0.00 C ATOM 1184 CG2 ILE A 82 -5.841 3.503 -10.681 1.00 0.00 C ATOM 1185 CD1 ILE A 82 -6.930 4.078 -6.996 1.00 0.00 C ATOM 0 H ILE A 82 -4.199 1.547 -9.447 1.00 0.00 H new ATOM 0 HA ILE A 82 -6.350 1.989 -7.657 1.00 0.00 H new ATOM 0 HB ILE A 82 -4.832 3.637 -8.816 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -6.460 5.378 -8.652 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -7.786 4.275 -8.966 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -5.630 4.535 -10.961 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.078 2.849 -11.104 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -6.820 3.215 -11.066 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -7.627 4.788 -6.551 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -7.299 3.064 -6.843 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -5.953 4.184 -6.524 1.00 0.00 H new ATOM 1196 N SER A 83 -8.504 1.914 -9.121 1.00 0.00 N ATOM 1197 CA SER A 83 -9.749 1.439 -9.700 1.00 0.00 C ATOM 1198 C SER A 83 -10.753 2.590 -9.797 1.00 0.00 C ATOM 1199 O SER A 83 -10.689 3.541 -9.019 1.00 0.00 O ATOM 1200 CB SER A 83 -10.337 0.290 -8.878 1.00 0.00 C ATOM 1201 OG SER A 83 -10.385 -0.927 -9.618 1.00 0.00 O ATOM 0 H SER A 83 -8.602 2.713 -8.495 1.00 0.00 H new ATOM 0 HA SER A 83 -9.539 1.062 -10.701 1.00 0.00 H new ATOM 0 HB2 SER A 83 -9.738 0.144 -7.979 1.00 0.00 H new ATOM 0 HB3 SER A 83 -11.343 0.556 -8.552 1.00 0.00 H new ATOM 0 HG SER A 83 -10.765 -1.636 -9.058 1.00 0.00 H new ATOM 1206 N PRO A 84 -11.682 2.462 -10.782 1.00 0.00 N ATOM 1207 CA PRO A 84 -12.697 3.480 -10.991 1.00 0.00 C ATOM 1208 C PRO A 84 -13.780 3.401 -9.914 1.00 0.00 C ATOM 1209 O PRO A 84 -14.620 4.294 -9.806 1.00 0.00 O ATOM 1210 CB PRO A 84 -13.230 3.223 -12.391 1.00 0.00 C ATOM 1211 CG PRO A 84 -12.829 1.798 -12.734 1.00 0.00 C ATOM 1212 CD PRO A 84 -11.787 1.350 -11.722 1.00 0.00 C ATOM 0 HA PRO A 84 -12.301 4.492 -10.911 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -14.313 3.343 -12.425 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -12.808 3.930 -13.105 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -13.697 1.140 -12.705 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -12.425 1.748 -13.745 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -12.093 0.433 -11.218 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -10.830 1.146 -12.203 1.00 0.00 H new ATOM 1217 N ALA A 85 -13.729 2.324 -9.145 1.00 0.00 N ATOM 1218 CA ALA A 85 -14.695 2.116 -8.080 1.00 0.00 C ATOM 1219 C ALA A 85 -13.954 1.859 -6.766 1.00 0.00 C ATOM 1220 O ALA A 85 -14.419 1.088 -5.928 1.00 0.00 O ATOM 1221 CB ALA A 85 -15.631 0.967 -8.456 1.00 0.00 C ATOM 0 H ALA A 85 -13.032 1.585 -9.238 1.00 0.00 H new ATOM 0 HA ALA A 85 -15.310 3.005 -7.942 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -16.355 0.811 -7.657 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -16.156 1.213 -9.379 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -15.049 0.057 -8.601 1.00 0.00 H new ATOM 1227 N VAL A 86 -12.813 2.518 -6.628 1.00 0.00 N ATOM 1228 CA VAL A 86 -12.002 2.370 -5.431 1.00 0.00 C ATOM 1229 C VAL A 86 -11.256 3.677 -5.160 1.00 0.00 C ATOM 1230 O VAL A 86 -11.072 4.063 -4.007 1.00 0.00 O ATOM 1231 CB VAL A 86 -11.068 1.166 -5.578 1.00 0.00 C ATOM 1232 CG1 VAL A 86 -9.674 1.486 -5.034 1.00 0.00 C ATOM 1233 CG2 VAL A 86 -11.653 -0.070 -4.894 1.00 0.00 C ATOM 0 H VAL A 86 -12.431 3.156 -7.326 1.00 0.00 H new ATOM 0 HA VAL A 86 -12.632 2.171 -4.564 1.00 0.00 H new ATOM 0 HB VAL A 86 -10.971 0.945 -6.641 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -9.029 0.615 -5.150 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -9.252 2.326 -5.586 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -9.746 1.746 -3.978 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -10.969 -0.910 -5.014 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -11.794 0.134 -3.833 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -12.613 -0.316 -5.347 1.00 0.00 H new ATOM 1243 N LYS A 87 -10.847 4.323 -6.243 1.00 0.00 N ATOM 1244 CA LYS A 87 -10.126 5.580 -6.136 1.00 0.00 C ATOM 1245 C LYS A 87 -11.090 6.681 -5.693 1.00 0.00 C ATOM 1246 O LYS A 87 -10.663 7.774 -5.323 1.00 0.00 O ATOM 1247 CB LYS A 87 -9.395 5.891 -7.444 1.00 0.00 C ATOM 1248 CG LYS A 87 -10.168 6.921 -8.271 1.00 0.00 C ATOM 1249 CD LYS A 87 -9.695 6.922 -9.726 1.00 0.00 C ATOM 1250 CE LYS A 87 -9.746 8.331 -10.318 1.00 0.00 C ATOM 1251 NZ LYS A 87 -8.569 9.118 -9.889 1.00 0.00 N ATOM 0 H LYS A 87 -11.001 3.999 -7.198 1.00 0.00 H new ATOM 0 HA LYS A 87 -9.351 5.510 -5.373 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -8.396 6.270 -7.226 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -9.270 4.975 -8.022 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -11.234 6.698 -8.232 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -10.034 7.913 -7.840 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -8.677 6.537 -9.781 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -10.321 6.253 -10.316 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -9.775 8.273 -11.406 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -10.661 8.832 -10.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -8.620 10.072 -10.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -8.558 9.189 -8.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -7.700 8.648 -10.213 1.00 0.00 H new ATOM 1260 N ARG A 88 -12.374 6.356 -5.745 1.00 0.00 N ATOM 1261 CA ARG A 88 -13.403 7.304 -5.354 1.00 0.00 C ATOM 1262 C ARG A 88 -13.399 7.495 -3.835 1.00 0.00 C ATOM 1263 O ARG A 88 -13.891 8.503 -3.331 1.00 0.00 O ATOM 1264 CB ARG A 88 -14.788 6.829 -5.797 1.00 0.00 C ATOM 1265 CG ARG A 88 -15.362 5.813 -4.809 1.00 0.00 C ATOM 1266 CD ARG A 88 -14.619 4.479 -4.899 1.00 0.00 C ATOM 1267 NE ARG A 88 -15.512 3.374 -4.484 1.00 0.00 N ATOM 1268 CZ ARG A 88 -16.614 2.994 -5.166 1.00 0.00 C ATOM 1269 NH1 ARG A 88 -16.969 3.631 -6.302 1.00 0.00 N ATOM 1270 NH2 ARG A 88 -17.339 1.993 -4.704 1.00 0.00 N ATOM 0 H ARG A 88 -12.725 5.449 -6.052 1.00 0.00 H new ATOM 0 HA ARG A 88 -13.183 8.252 -5.844 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -15.461 7.683 -5.877 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -14.722 6.380 -6.788 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -15.289 6.206 -3.795 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -16.421 5.658 -5.016 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -14.273 4.314 -5.919 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -13.735 4.502 -4.262 1.00 0.00 H new ATOM 0 HE ARG A 88 -15.281 2.868 -3.629 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -16.404 4.405 -6.651 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -17.803 3.338 -6.812 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -17.064 1.519 -3.844 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -18.174 1.694 -5.207 1.00 0.00 H new ATOM 1280 N LEU A 89 -12.839 6.510 -3.149 1.00 0.00 N ATOM 1281 CA LEU A 89 -12.765 6.557 -1.698 1.00 0.00 C ATOM 1282 C LEU A 89 -11.790 7.657 -1.277 1.00 0.00 C ATOM 1283 O LEU A 89 -12.086 8.442 -0.377 1.00 0.00 O ATOM 1284 CB LEU A 89 -12.415 5.177 -1.135 1.00 0.00 C ATOM 1285 CG LEU A 89 -13.598 4.254 -0.839 1.00 0.00 C ATOM 1286 CD1 LEU A 89 -13.133 2.807 -0.661 1.00 0.00 C ATOM 1287 CD2 LEU A 89 -14.396 4.754 0.367 1.00 0.00 C ATOM 0 H LEU A 89 -12.432 5.675 -3.570 1.00 0.00 H new ATOM 0 HA LEU A 89 -13.737 6.812 -1.275 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -11.756 4.674 -1.843 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -11.848 5.315 -0.214 1.00 0.00 H new ATOM 0 HG LEU A 89 -14.269 4.272 -1.698 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -13.993 2.171 -0.452 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -12.644 2.467 -1.574 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -12.429 2.750 0.170 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -15.231 4.080 0.556 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -13.749 4.785 1.244 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -14.777 5.755 0.162 1.00 0.00 H new ATOM 1298 N PHE A 90 -10.648 7.682 -1.947 1.00 0.00 N ATOM 1299 CA PHE A 90 -9.628 8.674 -1.653 1.00 0.00 C ATOM 1300 C PHE A 90 -9.909 9.985 -2.391 1.00 0.00 C ATOM 1301 O PHE A 90 -9.392 11.036 -2.016 1.00 0.00 O ATOM 1302 CB PHE A 90 -8.295 8.104 -2.143 1.00 0.00 C ATOM 1303 CG PHE A 90 -8.037 6.660 -1.705 1.00 0.00 C ATOM 1304 CD1 PHE A 90 -8.493 5.628 -2.465 1.00 0.00 C ATOM 1305 CD2 PHE A 90 -7.352 6.410 -0.557 1.00 0.00 C ATOM 1306 CE1 PHE A 90 -8.254 4.289 -2.059 1.00 0.00 C ATOM 1307 CE2 PHE A 90 -7.113 5.070 -0.151 1.00 0.00 C ATOM 1308 CZ PHE A 90 -7.569 4.038 -0.911 1.00 0.00 C ATOM 0 H PHE A 90 -10.406 7.030 -2.694 1.00 0.00 H new ATOM 0 HA PHE A 90 -9.612 8.885 -0.584 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -8.269 8.153 -3.232 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -7.485 8.734 -1.776 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -9.037 5.827 -3.377 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -6.990 7.230 0.046 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -8.616 3.469 -2.662 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -6.569 4.871 0.761 1.00 0.00 H new ATOM 0 HZ PHE A 90 -7.387 3.019 -0.603 1.00 0.00 H new ATOM 1317 N ASP A 91 -10.730 9.880 -3.425 1.00 0.00 N ATOM 1318 CA ASP A 91 -11.088 11.044 -4.218 1.00 0.00 C ATOM 1319 C ASP A 91 -12.057 11.920 -3.423 1.00 0.00 C ATOM 1320 O ASP A 91 -12.009 13.145 -3.513 1.00 0.00 O ATOM 1321 CB ASP A 91 -11.781 10.633 -5.519 1.00 0.00 C ATOM 1322 CG ASP A 91 -11.142 11.186 -6.794 1.00 0.00 C ATOM 1323 OD1 ASP A 91 -11.667 12.122 -7.417 1.00 0.00 O ATOM 1324 OD2 ASP A 91 -10.045 10.609 -7.150 1.00 0.00 O ATOM 0 H ASP A 91 -11.158 9.007 -3.732 1.00 0.00 H new ATOM 0 HA ASP A 91 -10.172 11.586 -4.453 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -11.793 9.545 -5.579 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -12.820 10.961 -5.479 1.00 0.00 H new ATOM 1329 N MET A 92 -12.915 11.256 -2.662 1.00 0.00 N ATOM 1330 CA MET A 92 -13.895 11.960 -1.850 1.00 0.00 C ATOM 1331 C MET A 92 -13.322 12.300 -0.472 1.00 0.00 C ATOM 1332 O MET A 92 -13.712 13.294 0.137 1.00 0.00 O ATOM 1333 CB MET A 92 -15.141 11.088 -1.685 1.00 0.00 C ATOM 1334 CG MET A 92 -16.270 11.868 -1.008 1.00 0.00 C ATOM 1335 SD MET A 92 -17.452 10.736 -0.295 1.00 0.00 S ATOM 1336 CE MET A 92 -18.936 11.272 -1.130 1.00 0.00 C ATOM 0 H MET A 92 -12.952 10.239 -2.590 1.00 0.00 H new ATOM 0 HA MET A 92 -14.156 12.891 -2.353 1.00 0.00 H new ATOM 0 HB2 MET A 92 -15.473 10.734 -2.661 1.00 0.00 H new ATOM 0 HB3 MET A 92 -14.897 10.207 -1.092 1.00 0.00 H new ATOM 0 HG2 MET A 92 -15.861 12.516 -0.233 1.00 0.00 H new ATOM 0 HG3 MET A 92 -16.764 12.513 -1.735 1.00 0.00 H new ATOM 0 HE1 MET A 92 -19.779 10.665 -0.799 1.00 0.00 H new ATOM 0 HE2 MET A 92 -19.128 12.319 -0.895 1.00 0.00 H new ATOM 0 HE3 MET A 92 -18.809 11.159 -2.207 1.00 0.00 H new ATOM 1344 N SER A 93 -12.408 11.455 -0.021 1.00 0.00 N ATOM 1345 CA SER A 93 -11.778 11.653 1.272 1.00 0.00 C ATOM 1346 C SER A 93 -10.904 12.909 1.242 1.00 0.00 C ATOM 1347 O SER A 93 -10.815 13.631 2.234 1.00 0.00 O ATOM 1348 CB SER A 93 -10.943 10.435 1.672 1.00 0.00 C ATOM 1349 OG SER A 93 -10.285 10.624 2.922 1.00 0.00 O ATOM 0 H SER A 93 -12.088 10.630 -0.529 1.00 0.00 H new ATOM 0 HA SER A 93 -12.563 11.781 2.017 1.00 0.00 H new ATOM 0 HB2 SER A 93 -11.587 9.558 1.731 1.00 0.00 H new ATOM 0 HB3 SER A 93 -10.201 10.235 0.899 1.00 0.00 H new ATOM 0 HG SER A 93 -9.764 9.824 3.142 1.00 0.00 H new ATOM 1354 N GLY A 94 -10.281 13.130 0.095 1.00 0.00 N ATOM 1355 CA GLY A 94 -9.417 14.285 -0.079 1.00 0.00 C ATOM 1356 C GLY A 94 -8.061 14.061 0.594 1.00 0.00 C ATOM 1357 O GLY A 94 -7.195 14.933 0.559 1.00 0.00 O ATOM 0 H GLY A 94 -10.357 12.528 -0.725 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -9.272 14.479 -1.142 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -9.895 15.169 0.344 1.00 0.00 H new ATOM 1361 N LEU A 95 -7.919 12.887 1.191 1.00 0.00 N ATOM 1362 CA LEU A 95 -6.683 12.537 1.870 1.00 0.00 C ATOM 1363 C LEU A 95 -5.839 11.645 0.957 1.00 0.00 C ATOM 1364 O LEU A 95 -4.846 11.066 1.395 1.00 0.00 O ATOM 1365 CB LEU A 95 -6.980 11.913 3.235 1.00 0.00 C ATOM 1366 CG LEU A 95 -5.890 12.071 4.297 1.00 0.00 C ATOM 1367 CD1 LEU A 95 -5.138 13.391 4.117 1.00 0.00 C ATOM 1368 CD2 LEU A 95 -6.471 11.930 5.705 1.00 0.00 C ATOM 0 H LEU A 95 -8.640 12.166 1.219 1.00 0.00 H new ATOM 0 HA LEU A 95 -6.095 13.431 2.075 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -7.901 12.351 3.620 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -7.169 10.849 3.092 1.00 0.00 H new ATOM 0 HG LEU A 95 -5.166 11.267 4.166 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -4.369 13.479 4.884 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -4.672 13.413 3.132 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -5.837 14.223 4.207 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -5.675 12.047 6.440 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -7.228 12.698 5.865 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -6.925 10.945 5.814 1.00 0.00 H new ATOM 1379 N PHE A 96 -6.265 11.563 -0.295 1.00 0.00 N ATOM 1380 CA PHE A 96 -5.561 10.752 -1.273 1.00 0.00 C ATOM 1381 C PHE A 96 -4.060 11.049 -1.253 1.00 0.00 C ATOM 1382 O PHE A 96 -3.244 10.155 -1.472 1.00 0.00 O ATOM 1383 CB PHE A 96 -6.123 11.120 -2.647 1.00 0.00 C ATOM 1384 CG PHE A 96 -6.438 9.913 -3.534 1.00 0.00 C ATOM 1385 CD1 PHE A 96 -5.804 8.729 -3.322 1.00 0.00 C ATOM 1386 CD2 PHE A 96 -7.351 10.025 -4.535 1.00 0.00 C ATOM 1387 CE1 PHE A 96 -6.096 7.610 -4.145 1.00 0.00 C ATOM 1388 CE2 PHE A 96 -7.644 8.906 -5.358 1.00 0.00 C ATOM 1389 CZ PHE A 96 -7.009 7.722 -5.146 1.00 0.00 C ATOM 0 H PHE A 96 -7.089 12.045 -0.654 1.00 0.00 H new ATOM 0 HA PHE A 96 -5.698 9.694 -1.047 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -7.032 11.705 -2.511 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -5.406 11.759 -3.162 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -5.078 8.640 -2.527 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -7.854 10.966 -4.704 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -5.593 6.669 -3.976 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -8.371 8.995 -6.152 1.00 0.00 H new ATOM 0 HZ PHE A 96 -7.230 6.871 -5.773 1.00 0.00 H new ATOM 1398 N LYS A 97 -3.742 12.308 -0.988 1.00 0.00 N ATOM 1399 CA LYS A 97 -2.353 12.734 -0.937 1.00 0.00 C ATOM 1400 C LYS A 97 -1.640 11.997 0.198 1.00 0.00 C ATOM 1401 O LYS A 97 -0.416 11.886 0.198 1.00 0.00 O ATOM 1402 CB LYS A 97 -2.264 14.257 -0.834 1.00 0.00 C ATOM 1403 CG LYS A 97 -3.068 14.931 -1.948 1.00 0.00 C ATOM 1404 CD LYS A 97 -2.183 15.223 -3.162 1.00 0.00 C ATOM 1405 CE LYS A 97 -2.971 15.956 -4.249 1.00 0.00 C ATOM 1406 NZ LYS A 97 -2.772 17.419 -4.137 1.00 0.00 N ATOM 0 H LYS A 97 -4.422 13.046 -0.806 1.00 0.00 H new ATOM 0 HA LYS A 97 -1.839 12.470 -1.861 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.638 14.582 0.137 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.221 14.569 -0.894 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -3.897 14.288 -2.244 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -3.502 15.860 -1.578 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -1.328 15.827 -2.857 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -1.787 14.289 -3.561 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -2.650 15.614 -5.233 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -4.031 15.719 -4.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -3.314 17.901 -4.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -3.100 17.744 -3.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -1.762 17.641 -4.245 1.00 0.00 H new ATOM 1415 N ILE A 98 -2.438 11.514 1.141 1.00 0.00 N ATOM 1416 CA ILE A 98 -1.897 10.791 2.279 1.00 0.00 C ATOM 1417 C ILE A 98 -1.588 9.351 1.865 1.00 0.00 C ATOM 1418 O ILE A 98 -0.835 8.654 2.542 1.00 0.00 O ATOM 1419 CB ILE A 98 -2.843 10.897 3.477 1.00 0.00 C ATOM 1420 CG1 ILE A 98 -2.099 11.387 4.721 1.00 0.00 C ATOM 1421 CG2 ILE A 98 -3.562 9.569 3.727 1.00 0.00 C ATOM 1422 CD1 ILE A 98 -2.501 10.579 5.956 1.00 0.00 C ATOM 0 H ILE A 98 -3.454 11.610 1.139 1.00 0.00 H new ATOM 0 HA ILE A 98 -0.957 11.237 2.602 1.00 0.00 H new ATOM 0 HB ILE A 98 -3.607 11.639 3.244 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -1.024 11.304 4.562 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -2.316 12.442 4.886 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -4.228 9.672 4.584 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -4.143 9.298 2.846 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -2.827 8.790 3.930 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -1.957 10.948 6.825 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -3.572 10.684 6.127 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -2.260 9.528 5.797 1.00 0.00 H new ATOM 1433 N ILE A 99 -2.187 8.948 0.754 1.00 0.00 N ATOM 1434 CA ILE A 99 -1.985 7.604 0.240 1.00 0.00 C ATOM 1435 C ILE A 99 -1.188 7.674 -1.063 1.00 0.00 C ATOM 1436 O ILE A 99 -0.697 6.657 -1.551 1.00 0.00 O ATOM 1437 CB ILE A 99 -3.325 6.876 0.103 1.00 0.00 C ATOM 1438 CG1 ILE A 99 -3.960 6.635 1.474 1.00 0.00 C ATOM 1439 CG2 ILE A 99 -3.164 5.578 -0.691 1.00 0.00 C ATOM 1440 CD1 ILE A 99 -2.953 6.015 2.444 1.00 0.00 C ATOM 0 H ILE A 99 -2.812 9.529 0.195 1.00 0.00 H new ATOM 0 HA ILE A 99 -1.397 7.013 0.942 1.00 0.00 H new ATOM 0 HB ILE A 99 -4.006 7.515 -0.459 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -4.327 7.578 1.879 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -4.822 5.976 1.369 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -4.130 5.080 -0.774 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -2.786 5.806 -1.688 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -2.461 4.922 -0.178 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -3.430 5.854 3.411 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -2.606 5.061 2.048 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -2.104 6.687 2.566 1.00 0.00 H new ATOM 1451 N ARG A 100 -1.082 8.885 -1.590 1.00 0.00 N ATOM 1452 CA ARG A 100 -0.352 9.102 -2.828 1.00 0.00 C ATOM 1453 C ARG A 100 -0.461 7.871 -3.731 1.00 0.00 C ATOM 1454 O ARG A 100 0.426 7.018 -3.732 1.00 0.00 O ATOM 1455 CB ARG A 100 1.125 9.395 -2.552 1.00 0.00 C ATOM 1456 CG ARG A 100 1.590 10.632 -3.323 1.00 0.00 C ATOM 1457 CD ARG A 100 2.426 10.235 -4.542 1.00 0.00 C ATOM 1458 NE ARG A 100 1.722 10.619 -5.786 1.00 0.00 N ATOM 1459 CZ ARG A 100 1.591 11.890 -6.220 1.00 0.00 C ATOM 1460 NH1 ARG A 100 2.117 12.913 -5.513 1.00 0.00 N ATOM 1461 NH2 ARG A 100 0.940 12.118 -7.345 1.00 0.00 N ATOM 0 H ARG A 100 -1.490 9.726 -1.182 1.00 0.00 H new ATOM 0 HA ARG A 100 -0.794 9.964 -3.328 1.00 0.00 H new ATOM 0 HB2 ARG A 100 1.276 9.550 -1.484 1.00 0.00 H new ATOM 0 HB3 ARG A 100 1.730 8.535 -2.838 1.00 0.00 H new ATOM 0 HG2 ARG A 100 0.725 11.212 -3.644 1.00 0.00 H new ATOM 0 HG3 ARG A 100 2.178 11.274 -2.667 1.00 0.00 H new ATOM 0 HD2 ARG A 100 3.400 10.723 -4.500 1.00 0.00 H new ATOM 0 HD3 ARG A 100 2.608 9.160 -4.534 1.00 0.00 H new ATOM 0 HE ARG A 100 1.310 9.876 -6.351 1.00 0.00 H new ATOM 0 HH11 ARG A 100 2.618 12.728 -4.644 1.00 0.00 H new ATOM 0 HH12 ARG A 100 2.014 13.871 -5.848 1.00 0.00 H new ATOM 0 HH21 ARG A 100 0.545 11.339 -7.872 1.00 0.00 H new ATOM 0 HH22 ARG A 100 0.832 13.073 -7.687 1.00 0.00 H new ATOM 1471 N PHE A 101 -1.554 7.818 -4.476 1.00 0.00 N ATOM 1472 CA PHE A 101 -1.790 6.706 -5.380 1.00 0.00 C ATOM 1473 C PHE A 101 -1.485 7.101 -6.826 1.00 0.00 C ATOM 1474 O PHE A 101 -1.293 8.279 -7.125 1.00 0.00 O ATOM 1475 CB PHE A 101 -3.272 6.342 -5.265 1.00 0.00 C ATOM 1476 CG PHE A 101 -3.552 4.840 -5.346 1.00 0.00 C ATOM 1477 CD1 PHE A 101 -3.557 4.213 -6.553 1.00 0.00 C ATOM 1478 CD2 PHE A 101 -3.796 4.131 -4.211 1.00 0.00 C ATOM 1479 CE1 PHE A 101 -3.817 2.819 -6.628 1.00 0.00 C ATOM 1480 CE2 PHE A 101 -4.056 2.738 -4.286 1.00 0.00 C ATOM 1481 CZ PHE A 101 -4.061 2.111 -5.493 1.00 0.00 C ATOM 0 H PHE A 101 -2.287 8.528 -4.472 1.00 0.00 H new ATOM 0 HA PHE A 101 -1.144 5.869 -5.116 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -3.657 6.722 -4.319 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -3.822 6.847 -6.059 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -3.363 4.775 -7.454 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -3.792 4.628 -3.252 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -3.821 2.321 -7.586 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -4.250 2.176 -3.385 1.00 0.00 H new ATOM 0 HZ PHE A 101 -4.259 1.051 -5.550 1.00 0.00 H new ATOM 1490 N GLU A 102 -1.449 6.094 -7.687 1.00 0.00 N ATOM 1491 CA GLU A 102 -1.170 6.322 -9.094 1.00 0.00 C ATOM 1492 C GLU A 102 -2.119 5.495 -9.964 1.00 0.00 C ATOM 1493 O GLU A 102 -3.258 5.239 -9.575 1.00 0.00 O ATOM 1494 CB GLU A 102 0.291 6.005 -9.422 1.00 0.00 C ATOM 1495 CG GLU A 102 0.922 7.126 -10.250 1.00 0.00 C ATOM 1496 CD GLU A 102 1.175 6.671 -11.688 1.00 0.00 C ATOM 1497 OE1 GLU A 102 0.892 5.514 -12.031 1.00 0.00 O ATOM 1498 OE2 GLU A 102 1.685 7.568 -12.462 1.00 0.00 O ATOM 0 H GLU A 102 -1.609 5.118 -7.437 1.00 0.00 H new ATOM 0 HA GLU A 102 -1.336 7.377 -9.311 1.00 0.00 H new ATOM 0 HB2 GLU A 102 0.854 5.869 -8.498 1.00 0.00 H new ATOM 0 HB3 GLU A 102 0.349 5.065 -9.971 1.00 0.00 H new ATOM 0 HG2 GLU A 102 0.265 7.996 -10.251 1.00 0.00 H new ATOM 0 HG3 GLU A 102 1.862 7.436 -9.792 1.00 0.00 H new ATOM 1504 N GLN A 103 -1.615 5.101 -11.124 1.00 0.00 N ATOM 1505 CA GLN A 103 -2.404 4.309 -12.052 1.00 0.00 C ATOM 1506 C GLN A 103 -1.508 3.319 -12.800 1.00 0.00 C ATOM 1507 O GLN A 103 -1.037 3.610 -13.898 1.00 0.00 O ATOM 1508 CB GLN A 103 -3.165 5.207 -13.030 1.00 0.00 C ATOM 1509 CG GLN A 103 -3.838 6.369 -12.298 1.00 0.00 C ATOM 1510 CD GLN A 103 -4.369 7.407 -13.288 1.00 0.00 C ATOM 1511 OE1 GLN A 103 -5.541 7.439 -13.625 1.00 0.00 O ATOM 1512 NE2 GLN A 103 -3.444 8.252 -13.734 1.00 0.00 N ATOM 0 H GLN A 103 -0.670 5.315 -11.442 1.00 0.00 H new ATOM 0 HA GLN A 103 -3.140 3.743 -11.481 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -2.478 5.595 -13.782 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -3.917 4.621 -13.558 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -4.658 5.992 -11.686 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -3.125 6.839 -11.621 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -2.480 8.170 -13.411 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -3.699 8.982 -14.399 1.00 0.00 H new ATOM 1519 N SER A 104 -1.301 2.170 -12.175 1.00 0.00 N ATOM 1520 CA SER A 104 -0.470 1.135 -12.766 1.00 0.00 C ATOM 1521 C SER A 104 0.852 1.738 -13.249 1.00 0.00 C ATOM 1522 O SER A 104 1.920 1.376 -12.756 1.00 0.00 O ATOM 1523 CB SER A 104 -1.192 0.445 -13.925 1.00 0.00 C ATOM 1524 OG SER A 104 -0.357 -0.502 -14.586 1.00 0.00 O ATOM 0 H SER A 104 -1.695 1.932 -11.264 1.00 0.00 H new ATOM 0 HA SER A 104 -0.263 0.385 -12.003 1.00 0.00 H new ATOM 0 HB2 SER A 104 -2.083 -0.058 -13.549 1.00 0.00 H new ATOM 0 HB3 SER A 104 -1.527 1.195 -14.641 1.00 0.00 H new ATOM 0 HG SER A 104 -0.855 -0.922 -15.318 1.00 0.00 H new ATOM 1529 N GLU A 105 0.737 2.648 -14.205 1.00 0.00 N ATOM 1530 CA GLU A 105 1.909 3.303 -14.759 1.00 0.00 C ATOM 1531 C GLU A 105 2.977 3.482 -13.679 1.00 0.00 C ATOM 1532 O GLU A 105 4.172 3.446 -13.969 1.00 0.00 O ATOM 1533 CB GLU A 105 1.538 4.646 -15.391 1.00 0.00 C ATOM 1534 CG GLU A 105 2.737 5.259 -16.118 1.00 0.00 C ATOM 1535 CD GLU A 105 2.432 5.464 -17.603 1.00 0.00 C ATOM 1536 OE1 GLU A 105 2.218 4.486 -18.333 1.00 0.00 O ATOM 1537 OE2 GLU A 105 2.421 6.694 -17.993 1.00 0.00 O ATOM 0 H GLU A 105 -0.150 2.947 -14.610 1.00 0.00 H new ATOM 0 HA GLU A 105 2.318 2.669 -15.545 1.00 0.00 H new ATOM 0 HB2 GLU A 105 0.715 4.507 -16.092 1.00 0.00 H new ATOM 0 HB3 GLU A 105 1.187 5.331 -14.619 1.00 0.00 H new ATOM 0 HG2 GLU A 105 2.994 6.214 -15.661 1.00 0.00 H new ATOM 0 HG3 GLU A 105 3.605 4.609 -16.008 1.00 0.00 H new ATOM 1543 N GLN A 106 2.509 3.671 -12.454 1.00 0.00 N ATOM 1544 CA GLN A 106 3.409 3.855 -11.329 1.00 0.00 C ATOM 1545 C GLN A 106 4.247 2.595 -11.107 1.00 0.00 C ATOM 1546 O GLN A 106 5.183 2.600 -10.308 1.00 0.00 O ATOM 1547 CB GLN A 106 2.635 4.228 -10.062 1.00 0.00 C ATOM 1548 CG GLN A 106 3.477 3.975 -8.810 1.00 0.00 C ATOM 1549 CD GLN A 106 3.107 4.953 -7.694 1.00 0.00 C ATOM 1550 OE1 GLN A 106 3.632 6.051 -7.595 1.00 0.00 O ATOM 1551 NE2 GLN A 106 2.176 4.497 -6.861 1.00 0.00 N ATOM 0 H GLN A 106 1.518 3.701 -12.216 1.00 0.00 H new ATOM 0 HA GLN A 106 4.083 4.680 -11.560 1.00 0.00 H new ATOM 0 HB2 GLN A 106 2.346 5.278 -10.104 1.00 0.00 H new ATOM 0 HB3 GLN A 106 1.715 3.646 -10.009 1.00 0.00 H new ATOM 0 HG2 GLN A 106 3.326 2.952 -8.466 1.00 0.00 H new ATOM 0 HG3 GLN A 106 4.535 4.077 -9.052 1.00 0.00 H new ATOM 0 HE21 GLN A 106 1.777 3.568 -7.000 1.00 0.00 H new ATOM 0 HE22 GLN A 106 1.860 5.076 -6.083 1.00 0.00 H new ATOM 1558 N GLN A 107 3.883 1.545 -11.829 1.00 0.00 N ATOM 1559 CA GLN A 107 4.590 0.281 -11.721 1.00 0.00 C ATOM 1560 C GLN A 107 6.083 0.525 -11.498 1.00 0.00 C ATOM 1561 O GLN A 107 6.753 -0.264 -10.833 1.00 0.00 O ATOM 1562 CB GLN A 107 4.355 -0.586 -12.961 1.00 0.00 C ATOM 1563 CG GLN A 107 5.414 -0.313 -14.030 1.00 0.00 C ATOM 1564 CD GLN A 107 6.657 -1.176 -13.802 1.00 0.00 C ATOM 1565 OE1 GLN A 107 6.592 -2.280 -13.288 1.00 0.00 O ATOM 1566 NE2 GLN A 107 7.790 -0.612 -14.212 1.00 0.00 N ATOM 0 H GLN A 107 3.107 1.544 -12.491 1.00 0.00 H new ATOM 0 HA GLN A 107 4.198 -0.260 -10.860 1.00 0.00 H new ATOM 0 HB2 GLN A 107 4.378 -1.639 -12.682 1.00 0.00 H new ATOM 0 HB3 GLN A 107 3.363 -0.385 -13.367 1.00 0.00 H new ATOM 0 HG2 GLN A 107 5.001 -0.518 -15.018 1.00 0.00 H new ATOM 0 HG3 GLN A 107 5.690 0.741 -14.013 1.00 0.00 H new ATOM 0 HE21 GLN A 107 7.774 0.316 -14.635 1.00 0.00 H new ATOM 0 HE22 GLN A 107 8.675 -1.108 -14.104 1.00 0.00 H new ATOM 1573 N ALA A 108 6.562 1.620 -12.069 1.00 0.00 N ATOM 1574 CA ALA A 108 7.965 1.978 -11.941 1.00 0.00 C ATOM 1575 C ALA A 108 8.171 2.760 -10.642 1.00 0.00 C ATOM 1576 O ALA A 108 9.075 2.455 -9.866 1.00 0.00 O ATOM 1577 CB ALA A 108 8.404 2.771 -13.174 1.00 0.00 C ATOM 0 H ALA A 108 6.004 2.271 -12.621 1.00 0.00 H new ATOM 0 HA ALA A 108 8.586 1.084 -11.890 1.00 0.00 H new ATOM 0 HB1 ALA A 108 9.456 3.040 -13.078 1.00 0.00 H new ATOM 0 HB2 ALA A 108 8.265 2.162 -14.067 1.00 0.00 H new ATOM 0 HB3 ALA A 108 7.804 3.677 -13.256 1.00 0.00 H new ATOM 1583 N LEU A 109 7.318 3.754 -10.445 1.00 0.00 N ATOM 1584 CA LEU A 109 7.394 4.581 -9.253 1.00 0.00 C ATOM 1585 C LEU A 109 7.128 3.717 -8.019 1.00 0.00 C ATOM 1586 O LEU A 109 7.518 4.076 -6.909 1.00 0.00 O ATOM 1587 CB LEU A 109 6.456 5.785 -9.375 1.00 0.00 C ATOM 1588 CG LEU A 109 7.120 7.162 -9.303 1.00 0.00 C ATOM 1589 CD1 LEU A 109 6.420 8.156 -10.231 1.00 0.00 C ATOM 1590 CD2 LEU A 109 7.179 7.668 -7.860 1.00 0.00 C ATOM 0 H LEU A 109 6.570 4.006 -11.091 1.00 0.00 H new ATOM 0 HA LEU A 109 8.396 4.996 -9.141 1.00 0.00 H new ATOM 0 HB2 LEU A 109 5.922 5.710 -10.322 1.00 0.00 H new ATOM 0 HB3 LEU A 109 5.710 5.721 -8.583 1.00 0.00 H new ATOM 0 HG LEU A 109 8.148 7.065 -9.652 1.00 0.00 H new ATOM 0 HD11 LEU A 109 6.911 9.127 -10.161 1.00 0.00 H new ATOM 0 HD12 LEU A 109 6.474 7.795 -11.258 1.00 0.00 H new ATOM 0 HD13 LEU A 109 5.375 8.256 -9.936 1.00 0.00 H new ATOM 0 HD21 LEU A 109 7.655 8.648 -7.837 1.00 0.00 H new ATOM 0 HD22 LEU A 109 6.168 7.747 -7.460 1.00 0.00 H new ATOM 0 HD23 LEU A 109 7.756 6.970 -7.253 1.00 0.00 H new ATOM 1601 N LEU A 110 6.466 2.594 -8.254 1.00 0.00 N ATOM 1602 CA LEU A 110 6.144 1.676 -7.176 1.00 0.00 C ATOM 1603 C LEU A 110 7.391 1.441 -6.321 1.00 0.00 C ATOM 1604 O LEU A 110 7.321 1.472 -5.093 1.00 0.00 O ATOM 1605 CB LEU A 110 5.529 0.390 -7.732 1.00 0.00 C ATOM 1606 CG LEU A 110 4.036 0.448 -8.064 1.00 0.00 C ATOM 1607 CD1 LEU A 110 3.560 -0.868 -8.680 1.00 0.00 C ATOM 1608 CD2 LEU A 110 3.216 0.835 -6.832 1.00 0.00 C ATOM 0 H LEU A 110 6.144 2.299 -9.176 1.00 0.00 H new ATOM 0 HA LEU A 110 5.386 2.108 -6.523 1.00 0.00 H new ATOM 0 HB2 LEU A 110 6.071 0.113 -8.636 1.00 0.00 H new ATOM 0 HB3 LEU A 110 5.689 -0.408 -7.007 1.00 0.00 H new ATOM 0 HG LEU A 110 3.882 1.227 -8.811 1.00 0.00 H new ATOM 0 HD11 LEU A 110 2.496 -0.800 -8.906 1.00 0.00 H new ATOM 0 HD12 LEU A 110 4.115 -1.062 -9.598 1.00 0.00 H new ATOM 0 HD13 LEU A 110 3.730 -1.682 -7.975 1.00 0.00 H new ATOM 0 HD21 LEU A 110 2.159 0.869 -7.095 1.00 0.00 H new ATOM 0 HD22 LEU A 110 3.371 0.097 -6.045 1.00 0.00 H new ATOM 0 HD23 LEU A 110 3.533 1.815 -6.477 1.00 0.00 H new ATOM 1619 N THR A 111 8.502 1.211 -7.004 1.00 0.00 N ATOM 1620 CA THR A 111 9.763 0.973 -6.323 1.00 0.00 C ATOM 1621 C THR A 111 10.118 2.158 -5.424 1.00 0.00 C ATOM 1622 O THR A 111 11.151 2.149 -4.757 1.00 0.00 O ATOM 1623 CB THR A 111 10.825 0.675 -7.384 1.00 0.00 C ATOM 1624 OG1 THR A 111 10.932 -0.746 -7.380 1.00 0.00 O ATOM 1625 CG2 THR A 111 12.217 1.155 -6.970 1.00 0.00 C ATOM 0 H THR A 111 8.555 1.184 -8.022 1.00 0.00 H new ATOM 0 HA THR A 111 9.696 0.112 -5.658 1.00 0.00 H new ATOM 0 HB THR A 111 10.542 1.150 -8.323 1.00 0.00 H new ATOM 0 HG1 THR A 111 11.599 -1.026 -8.041 1.00 0.00 H new ATOM 0 HG21 THR A 111 12.932 0.919 -7.758 1.00 0.00 H new ATOM 0 HG22 THR A 111 12.197 2.233 -6.809 1.00 0.00 H new ATOM 0 HG23 THR A 111 12.515 0.656 -6.048 1.00 0.00 H new ATOM 1633 N LEU A 112 9.241 3.151 -5.436 1.00 0.00 N ATOM 1634 CA LEU A 112 9.449 4.343 -4.630 1.00 0.00 C ATOM 1635 C LEU A 112 9.974 5.470 -5.521 1.00 0.00 C ATOM 1636 O LEU A 112 10.512 6.459 -5.024 1.00 0.00 O ATOM 1637 CB LEU A 112 10.352 4.031 -3.436 1.00 0.00 C ATOM 1638 CG LEU A 112 11.792 4.539 -3.533 1.00 0.00 C ATOM 1639 CD1 LEU A 112 12.083 5.574 -2.445 1.00 0.00 C ATOM 1640 CD2 LEU A 112 12.787 3.377 -3.500 1.00 0.00 C ATOM 0 H LEU A 112 8.385 3.155 -5.991 1.00 0.00 H new ATOM 0 HA LEU A 112 8.506 4.686 -4.205 1.00 0.00 H new ATOM 0 HB2 LEU A 112 9.897 4.456 -2.541 1.00 0.00 H new ATOM 0 HB3 LEU A 112 10.378 2.950 -3.298 1.00 0.00 H new ATOM 0 HG LEU A 112 11.913 5.039 -4.494 1.00 0.00 H new ATOM 0 HD11 LEU A 112 13.113 5.919 -2.537 1.00 0.00 H new ATOM 0 HD12 LEU A 112 11.406 6.421 -2.558 1.00 0.00 H new ATOM 0 HD13 LEU A 112 11.938 5.121 -1.464 1.00 0.00 H new ATOM 0 HD21 LEU A 112 13.803 3.766 -3.570 1.00 0.00 H new ATOM 0 HD22 LEU A 112 12.673 2.827 -2.566 1.00 0.00 H new ATOM 0 HD23 LEU A 112 12.595 2.710 -4.340 1.00 0.00 H new ATOM 1651 N GLY A 113 9.799 5.285 -6.821 1.00 0.00 N ATOM 1652 CA GLY A 113 10.249 6.274 -7.785 1.00 0.00 C ATOM 1653 C GLY A 113 11.716 6.642 -7.550 1.00 0.00 C ATOM 1654 O GLY A 113 12.182 7.680 -8.020 1.00 0.00 O ATOM 0 H GLY A 113 9.351 4.464 -7.229 1.00 0.00 H new ATOM 0 HA2 GLY A 113 10.126 5.884 -8.795 1.00 0.00 H new ATOM 0 HA3 GLY A 113 9.630 7.168 -7.710 1.00 0.00 H new ATOM 1658 N VAL A 114 12.401 5.773 -6.822 1.00 0.00 N ATOM 1659 CA VAL A 114 13.805 5.993 -6.519 1.00 0.00 C ATOM 1660 C VAL A 114 14.512 4.643 -6.386 1.00 0.00 C ATOM 1661 O VAL A 114 14.753 4.171 -5.277 1.00 0.00 O ATOM 1662 CB VAL A 114 13.939 6.864 -5.268 1.00 0.00 C ATOM 1663 CG1 VAL A 114 15.274 6.609 -4.564 1.00 0.00 C ATOM 1664 CG2 VAL A 114 13.774 8.346 -5.611 1.00 0.00 C ATOM 0 H VAL A 114 12.010 4.915 -6.433 1.00 0.00 H new ATOM 0 HA VAL A 114 14.291 6.535 -7.331 1.00 0.00 H new ATOM 0 HB VAL A 114 13.139 6.589 -4.580 1.00 0.00 H new ATOM 0 HG11 VAL A 114 15.345 7.240 -3.678 1.00 0.00 H new ATOM 0 HG12 VAL A 114 15.336 5.561 -4.269 1.00 0.00 H new ATOM 0 HG13 VAL A 114 16.094 6.844 -5.243 1.00 0.00 H new ATOM 0 HG21 VAL A 114 13.874 8.943 -4.704 1.00 0.00 H new ATOM 0 HG22 VAL A 114 14.542 8.642 -6.326 1.00 0.00 H new ATOM 0 HG23 VAL A 114 12.789 8.511 -6.047 1.00 0.00 H new ATOM 1674 N ALA A 115 14.824 4.060 -7.534 1.00 0.00 N ATOM 1675 CA ALA A 115 15.498 2.773 -7.560 1.00 0.00 C ATOM 1676 C ALA A 115 15.306 2.128 -8.934 1.00 0.00 C ATOM 1677 O ALA A 115 14.278 1.505 -9.192 1.00 0.00 O ATOM 1678 CB ALA A 115 14.968 1.894 -6.424 1.00 0.00 C ATOM 0 H ALA A 115 14.623 4.455 -8.453 1.00 0.00 H new ATOM 0 HA ALA A 115 16.569 2.899 -7.402 1.00 0.00 H new ATOM 0 HB1 ALA A 115 15.474 0.929 -6.444 1.00 0.00 H new ATOM 0 HB2 ALA A 115 15.156 2.382 -5.468 1.00 0.00 H new ATOM 0 HB3 ALA A 115 13.896 1.744 -6.550 1.00 0.00 H new ATOM 1684 N SER A 116 16.312 2.301 -9.780 1.00 0.00 N ATOM 1685 CA SER A 116 16.265 1.744 -11.121 1.00 0.00 C ATOM 1686 C SER A 116 14.949 2.126 -11.801 1.00 0.00 C ATOM 1687 O SER A 116 14.322 3.118 -11.434 1.00 0.00 O ATOM 1688 CB SER A 116 16.424 0.222 -11.092 1.00 0.00 C ATOM 1689 OG SER A 116 16.273 -0.356 -12.385 1.00 0.00 O ATOM 0 H SER A 116 17.164 2.819 -9.562 1.00 0.00 H new ATOM 0 HA SER A 116 17.096 2.159 -11.692 1.00 0.00 H new ATOM 0 HB2 SER A 116 17.406 -0.032 -10.694 1.00 0.00 H new ATOM 0 HB3 SER A 116 15.685 -0.207 -10.415 1.00 0.00 H new ATOM 0 HG SER A 116 16.383 -1.328 -12.324 1.00 0.00 H new TER 1694 SER A 116