USER MOD reduce.3.24.130724 H: found=0, std=0, add=690, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 688 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 56 GLN : amide:sc= 1.01 K(o=2.2,f=-3.3) USER MOD Set 1.2: A 58 LYS NZ :NH3+ -177:sc= 1.21 (180deg=0) USER MOD Set 2.1: A 42 THR OG1 : rot -124:sc= -1.89! USER MOD Set 2.2: A 45 SER OG : rot -133:sc= 0.00288 USER MOD Set 3.1: A 10 THR OG1 : rot -85:sc= 0.591 USER MOD Set 3.2: A 80 HIS : no HD1:sc= 1.39 K(o=2,f=-8.6!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -173:sc= 0 (180deg=-0.0792) USER MOD Single : A 2 THR OG1 : rot 46:sc= 0.128 USER MOD Single : A 5 TYR OH : rot 30:sc= -0.763 USER MOD Single : A 11 THR OG1 : rot 170:sc= -0.0349 USER MOD Single : A 12 ASN : amide:sc= -1.52! C(o=-1.5!,f=-9.8!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl -163:sc= -0.166 (180deg=-0.727) USER MOD Single : A 20 LYS NZ :NH3+ 165:sc= -0.093 (180deg=-0.365) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 165:sc= -0.473 USER MOD Single : A 26 MET CE :methyl -157:sc= -0.0262 (180deg=-1.12) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -0.786 K(o=-0.79,f=-0.016) USER MOD Single : A 32 LYS NZ :NH3+ 171:sc= 1.29 (180deg=1.09) USER MOD Single : A 33 LYS NZ :NH3+ 178:sc= 0.474 (180deg=0.443) USER MOD Single : A 34 LYS NZ :NH3+ 152:sc= 1.19 (180deg=1.06) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.00337 USER MOD Single : A 46 MET CE :methyl 147:sc= -2.81 (180deg=-3.65) USER MOD Single : A 49 GLN : amide:sc= -3.22! C(o=-3.2!,f=-3.2!) USER MOD Single : A 62 THR OG1 : rot 22:sc= 0.972 USER MOD Single : A 66 LYS NZ :NH3+ 154:sc= 0.646 (180deg=-0.727) USER MOD Single : A 67 SER OG : rot 180:sc= -0.0222 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc=-0.00474 USER MOD Single : A 88 ASN : amide:sc= 1.15 K(o=1.1,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.827 6.750 -5.961 1.00 0.00 N ATOM 2 CA MET A 1 -15.919 5.509 -6.739 1.00 0.00 C ATOM 3 C MET A 1 -15.952 4.320 -5.809 1.00 0.00 C ATOM 4 O MET A 1 -15.048 4.141 -4.995 1.00 0.00 O ATOM 5 CB MET A 1 -14.725 5.367 -7.705 1.00 0.00 C ATOM 6 CG MET A 1 -14.626 6.457 -8.756 1.00 0.00 C ATOM 7 SD MET A 1 -13.198 6.251 -9.844 1.00 0.00 S ATOM 8 CE MET A 1 -13.381 7.692 -10.897 1.00 0.00 C ATOM 0 H1 MET A 1 -15.924 7.567 -6.597 1.00 0.00 H new ATOM 0 H2 MET A 1 -16.587 6.772 -5.251 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.905 6.792 -5.482 1.00 0.00 H new ATOM 0 HA MET A 1 -16.837 5.547 -7.325 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.803 5.358 -7.123 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.794 4.402 -8.207 1.00 0.00 H new ATOM 0 HG2 MET A 1 -15.536 6.461 -9.355 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.564 7.427 -8.263 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.573 7.713 -11.628 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.339 7.645 -11.415 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.342 8.595 -10.288 1.00 0.00 H new ATOM 18 N THR A 2 -16.985 3.525 -5.914 1.00 0.00 N ATOM 19 CA THR A 2 -17.113 2.334 -5.124 1.00 0.00 C ATOM 20 C THR A 2 -16.358 1.188 -5.777 1.00 0.00 C ATOM 21 O THR A 2 -16.710 0.732 -6.885 1.00 0.00 O ATOM 22 CB THR A 2 -18.595 1.969 -4.912 1.00 0.00 C ATOM 23 OG1 THR A 2 -19.301 2.017 -6.169 1.00 0.00 O ATOM 24 CG2 THR A 2 -19.244 2.917 -3.929 1.00 0.00 C ATOM 0 H THR A 2 -17.763 3.688 -6.553 1.00 0.00 H new ATOM 0 HA THR A 2 -16.676 2.521 -4.143 1.00 0.00 H new ATOM 0 HB THR A 2 -18.644 0.958 -4.508 1.00 0.00 H new ATOM 0 HG1 THR A 2 -18.776 1.556 -6.857 1.00 0.00 H new ATOM 0 HG21 THR A 2 -20.290 2.641 -3.794 1.00 0.00 H new ATOM 0 HG22 THR A 2 -18.727 2.858 -2.971 1.00 0.00 H new ATOM 0 HG23 THR A 2 -19.184 3.936 -4.312 1.00 0.00 H new ATOM 32 N GLU A 3 -15.320 0.735 -5.118 1.00 0.00 N ATOM 33 CA GLU A 3 -14.485 -0.285 -5.639 1.00 0.00 C ATOM 34 C GLU A 3 -13.714 -0.927 -4.504 1.00 0.00 C ATOM 35 O GLU A 3 -13.567 -0.332 -3.445 1.00 0.00 O ATOM 36 CB GLU A 3 -13.534 0.337 -6.635 1.00 0.00 C ATOM 37 CG GLU A 3 -12.738 -0.669 -7.405 1.00 0.00 C ATOM 38 CD GLU A 3 -13.613 -1.656 -8.117 1.00 0.00 C ATOM 39 OE1 GLU A 3 -14.081 -1.351 -9.232 1.00 0.00 O ATOM 40 OE2 GLU A 3 -13.857 -2.743 -7.571 1.00 0.00 O ATOM 0 H GLU A 3 -15.040 1.076 -4.198 1.00 0.00 H new ATOM 0 HA GLU A 3 -15.080 -1.052 -6.135 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -14.102 0.952 -7.333 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -12.851 1.003 -6.107 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -12.109 -0.154 -8.131 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -12.072 -1.200 -6.725 1.00 0.00 H new ATOM 47 N VAL A 4 -13.244 -2.116 -4.720 1.00 0.00 N ATOM 48 CA VAL A 4 -12.472 -2.858 -3.754 1.00 0.00 C ATOM 49 C VAL A 4 -11.308 -3.536 -4.449 1.00 0.00 C ATOM 50 O VAL A 4 -11.436 -4.017 -5.577 1.00 0.00 O ATOM 51 CB VAL A 4 -13.331 -3.926 -2.996 1.00 0.00 C ATOM 52 CG1 VAL A 4 -14.350 -3.267 -2.070 1.00 0.00 C ATOM 53 CG2 VAL A 4 -14.051 -4.838 -3.982 1.00 0.00 C ATOM 0 H VAL A 4 -13.387 -2.618 -5.597 1.00 0.00 H new ATOM 0 HA VAL A 4 -12.108 -2.149 -3.011 1.00 0.00 H new ATOM 0 HB VAL A 4 -12.648 -4.521 -2.390 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -14.929 -4.037 -1.560 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -13.830 -2.656 -1.333 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -15.020 -2.637 -2.656 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -14.642 -5.572 -3.434 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -14.709 -4.242 -4.615 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -13.318 -5.353 -4.603 1.00 0.00 H new ATOM 63 N TYR A 5 -10.183 -3.539 -3.816 1.00 0.00 N ATOM 64 CA TYR A 5 -9.013 -4.193 -4.360 1.00 0.00 C ATOM 65 C TYR A 5 -8.588 -5.296 -3.452 1.00 0.00 C ATOM 66 O TYR A 5 -8.367 -5.075 -2.254 1.00 0.00 O ATOM 67 CB TYR A 5 -7.844 -3.218 -4.568 1.00 0.00 C ATOM 68 CG TYR A 5 -8.124 -2.084 -5.525 1.00 0.00 C ATOM 69 CD1 TYR A 5 -8.478 -2.329 -6.849 1.00 0.00 C ATOM 70 CD2 TYR A 5 -8.030 -0.769 -5.110 1.00 0.00 C ATOM 71 CE1 TYR A 5 -8.732 -1.292 -7.725 1.00 0.00 C ATOM 72 CE2 TYR A 5 -8.280 0.270 -5.978 1.00 0.00 C ATOM 73 CZ TYR A 5 -8.629 0.008 -7.281 1.00 0.00 C ATOM 74 OH TYR A 5 -8.878 1.056 -8.148 1.00 0.00 O ATOM 0 H TYR A 5 -10.036 -3.094 -2.910 1.00 0.00 H new ATOM 0 HA TYR A 5 -9.286 -4.592 -5.337 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -7.564 -2.798 -3.602 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -6.983 -3.778 -4.933 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -8.555 -3.348 -7.197 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -7.756 -0.553 -4.088 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -9.009 -1.498 -8.748 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -8.202 1.291 -5.635 1.00 0.00 H new ATOM 0 HH TYR A 5 -9.534 0.776 -8.820 1.00 0.00 H new ATOM 84 N ASP A 6 -8.517 -6.489 -3.992 1.00 0.00 N ATOM 85 CA ASP A 6 -8.036 -7.619 -3.241 1.00 0.00 C ATOM 86 C ASP A 6 -6.562 -7.568 -3.244 1.00 0.00 C ATOM 87 O ASP A 6 -5.922 -7.645 -4.287 1.00 0.00 O ATOM 88 CB ASP A 6 -8.532 -8.912 -3.816 1.00 0.00 C ATOM 89 CG ASP A 6 -8.067 -10.128 -3.053 1.00 0.00 C ATOM 90 OD1 ASP A 6 -8.584 -10.375 -1.953 1.00 0.00 O ATOM 91 OD2 ASP A 6 -7.219 -10.881 -3.574 1.00 0.00 O ATOM 0 H ASP A 6 -8.788 -6.701 -4.952 1.00 0.00 H new ATOM 0 HA ASP A 6 -8.413 -7.571 -2.219 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -9.622 -8.898 -3.833 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -8.198 -8.992 -4.850 1.00 0.00 H new ATOM 96 N LEU A 7 -6.040 -7.404 -2.113 1.00 0.00 N ATOM 97 CA LEU A 7 -4.662 -7.159 -1.927 1.00 0.00 C ATOM 98 C LEU A 7 -4.012 -8.289 -1.194 1.00 0.00 C ATOM 99 O LEU A 7 -4.675 -9.065 -0.517 1.00 0.00 O ATOM 100 CB LEU A 7 -4.498 -5.856 -1.164 1.00 0.00 C ATOM 101 CG LEU A 7 -5.091 -4.619 -1.849 1.00 0.00 C ATOM 102 CD1 LEU A 7 -4.937 -3.391 -0.983 1.00 0.00 C ATOM 103 CD2 LEU A 7 -4.440 -4.399 -3.197 1.00 0.00 C ATOM 0 H LEU A 7 -6.572 -7.435 -1.243 1.00 0.00 H new ATOM 0 HA LEU A 7 -4.173 -7.079 -2.898 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.962 -5.967 -0.184 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -3.435 -5.684 -0.995 1.00 0.00 H new ATOM 0 HG LEU A 7 -6.156 -4.795 -1.999 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -5.366 -2.529 -1.494 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -5.454 -3.546 -0.036 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -3.879 -3.210 -0.793 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -4.872 -3.517 -3.670 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -3.368 -4.251 -3.064 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -4.610 -5.270 -3.830 1.00 0.00 H new ATOM 115 N GLU A 8 -2.747 -8.412 -1.367 1.00 0.00 N ATOM 116 CA GLU A 8 -1.989 -9.395 -0.672 1.00 0.00 C ATOM 117 C GLU A 8 -1.145 -8.617 0.311 1.00 0.00 C ATOM 118 O GLU A 8 -0.379 -7.740 -0.071 1.00 0.00 O ATOM 119 CB GLU A 8 -1.167 -10.204 -1.694 1.00 0.00 C ATOM 120 CG GLU A 8 -0.460 -11.462 -1.180 1.00 0.00 C ATOM 121 CD GLU A 8 0.694 -11.201 -0.254 1.00 0.00 C ATOM 122 OE1 GLU A 8 1.832 -11.061 -0.755 1.00 0.00 O ATOM 123 OE2 GLU A 8 0.487 -11.181 0.957 1.00 0.00 O ATOM 0 H GLU A 8 -2.200 -7.829 -2.001 1.00 0.00 H new ATOM 0 HA GLU A 8 -2.590 -10.127 -0.133 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -1.832 -10.497 -2.507 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -0.413 -9.543 -2.122 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -1.189 -12.086 -0.663 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -0.100 -12.034 -2.035 1.00 0.00 H new ATOM 130 N ILE A 9 -1.341 -8.893 1.555 1.00 0.00 N ATOM 131 CA ILE A 9 -0.760 -8.117 2.617 1.00 0.00 C ATOM 132 C ILE A 9 0.342 -8.882 3.304 1.00 0.00 C ATOM 133 O ILE A 9 0.150 -10.003 3.788 1.00 0.00 O ATOM 134 CB ILE A 9 -1.824 -7.704 3.673 1.00 0.00 C ATOM 135 CG1 ILE A 9 -3.009 -6.958 3.021 1.00 0.00 C ATOM 136 CG2 ILE A 9 -1.199 -6.854 4.787 1.00 0.00 C ATOM 137 CD1 ILE A 9 -2.630 -5.680 2.292 1.00 0.00 C ATOM 0 H ILE A 9 -1.915 -9.672 1.876 1.00 0.00 H new ATOM 0 HA ILE A 9 -0.349 -7.217 2.160 1.00 0.00 H new ATOM 0 HB ILE A 9 -2.210 -8.621 4.119 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.501 -7.630 2.317 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -3.739 -6.717 3.794 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -1.967 -6.580 5.510 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -0.418 -7.427 5.287 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -0.768 -5.950 4.357 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -3.524 -5.225 1.867 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -2.167 -4.985 2.993 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -1.926 -5.912 1.493 1.00 0.00 H new ATOM 149 N THR A 10 1.458 -8.256 3.375 1.00 0.00 N ATOM 150 CA THR A 10 2.620 -8.801 3.967 1.00 0.00 C ATOM 151 C THR A 10 3.279 -7.836 4.913 1.00 0.00 C ATOM 152 O THR A 10 2.966 -6.642 4.960 1.00 0.00 O ATOM 153 CB THR A 10 3.626 -9.367 2.898 1.00 0.00 C ATOM 154 OG1 THR A 10 4.997 -9.450 3.372 1.00 0.00 O ATOM 155 CG2 THR A 10 3.534 -8.671 1.550 1.00 0.00 C ATOM 0 H THR A 10 1.591 -7.314 3.008 1.00 0.00 H new ATOM 0 HA THR A 10 2.294 -9.652 4.565 1.00 0.00 H new ATOM 0 HB THR A 10 3.297 -10.394 2.738 1.00 0.00 H new ATOM 0 HG1 THR A 10 5.440 -8.585 3.246 1.00 0.00 H new ATOM 0 HG21 THR A 10 4.256 -9.112 0.863 1.00 0.00 H new ATOM 0 HG22 THR A 10 2.528 -8.791 1.147 1.00 0.00 H new ATOM 0 HG23 THR A 10 3.752 -7.610 1.673 1.00 0.00 H new ATOM 163 N THR A 11 4.160 -8.361 5.664 1.00 0.00 N ATOM 164 CA THR A 11 4.911 -7.645 6.648 1.00 0.00 C ATOM 165 C THR A 11 6.238 -8.360 6.755 1.00 0.00 C ATOM 166 O THR A 11 6.391 -9.441 6.233 1.00 0.00 O ATOM 167 CB THR A 11 4.215 -7.657 8.029 1.00 0.00 C ATOM 168 OG1 THR A 11 2.812 -7.416 7.870 1.00 0.00 O ATOM 169 CG2 THR A 11 4.768 -6.552 8.935 1.00 0.00 C ATOM 0 H THR A 11 4.400 -9.351 5.619 1.00 0.00 H new ATOM 0 HA THR A 11 5.014 -6.600 6.355 1.00 0.00 H new ATOM 0 HB THR A 11 4.398 -8.633 8.478 1.00 0.00 H new ATOM 0 HG1 THR A 11 2.353 -7.583 8.720 1.00 0.00 H new ATOM 0 HG21 THR A 11 4.261 -6.584 9.899 1.00 0.00 H new ATOM 0 HG22 THR A 11 5.837 -6.704 9.082 1.00 0.00 H new ATOM 0 HG23 THR A 11 4.600 -5.581 8.469 1.00 0.00 H new ATOM 177 N ASN A 12 7.175 -7.761 7.387 1.00 0.00 N ATOM 178 CA ASN A 12 8.487 -8.347 7.540 1.00 0.00 C ATOM 179 C ASN A 12 8.439 -9.428 8.593 1.00 0.00 C ATOM 180 O ASN A 12 9.209 -10.381 8.561 1.00 0.00 O ATOM 181 CB ASN A 12 9.507 -7.267 7.905 1.00 0.00 C ATOM 182 CG ASN A 12 9.217 -6.562 9.224 1.00 0.00 C ATOM 183 OD1 ASN A 12 8.472 -5.599 9.264 1.00 0.00 O ATOM 184 ND2 ASN A 12 9.821 -7.004 10.287 1.00 0.00 N ATOM 0 H ASN A 12 7.071 -6.844 7.822 1.00 0.00 H new ATOM 0 HA ASN A 12 8.797 -8.797 6.597 1.00 0.00 H new ATOM 0 HB2 ASN A 12 10.497 -7.719 7.957 1.00 0.00 H new ATOM 0 HB3 ASN A 12 9.537 -6.525 7.107 1.00 0.00 H new ATOM 0 HD21 ASN A 12 9.677 -6.542 11.185 1.00 0.00 H new ATOM 0 HD22 ASN A 12 10.439 -7.813 10.223 1.00 0.00 H new ATOM 191 N ALA A 13 7.489 -9.287 9.498 1.00 0.00 N ATOM 192 CA ALA A 13 7.310 -10.219 10.580 1.00 0.00 C ATOM 193 C ALA A 13 6.646 -11.493 10.089 1.00 0.00 C ATOM 194 O ALA A 13 6.810 -12.558 10.684 1.00 0.00 O ATOM 195 CB ALA A 13 6.487 -9.583 11.693 1.00 0.00 C ATOM 0 H ALA A 13 6.820 -8.517 9.498 1.00 0.00 H new ATOM 0 HA ALA A 13 8.292 -10.479 10.976 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.359 -10.299 12.505 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.003 -8.698 12.067 1.00 0.00 H new ATOM 0 HB3 ALA A 13 5.510 -9.296 11.305 1.00 0.00 H new ATOM 201 N THR A 14 5.921 -11.389 8.995 1.00 0.00 N ATOM 202 CA THR A 14 5.206 -12.508 8.462 1.00 0.00 C ATOM 203 C THR A 14 5.828 -12.997 7.153 1.00 0.00 C ATOM 204 O THR A 14 6.180 -12.205 6.283 1.00 0.00 O ATOM 205 CB THR A 14 3.710 -12.156 8.238 1.00 0.00 C ATOM 206 OG1 THR A 14 3.596 -11.003 7.386 1.00 0.00 O ATOM 207 CG2 THR A 14 3.012 -11.869 9.560 1.00 0.00 C ATOM 0 H THR A 14 5.817 -10.527 8.459 1.00 0.00 H new ATOM 0 HA THR A 14 5.272 -13.312 9.195 1.00 0.00 H new ATOM 0 HB THR A 14 3.232 -13.014 7.766 1.00 0.00 H new ATOM 0 HG1 THR A 14 2.649 -10.790 7.249 1.00 0.00 H new ATOM 0 HG21 THR A 14 1.966 -11.625 9.374 1.00 0.00 H new ATOM 0 HG22 THR A 14 3.071 -12.749 10.201 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.498 -11.027 10.053 1.00 0.00 H new ATOM 215 N ASP A 15 5.995 -14.284 7.036 1.00 0.00 N ATOM 216 CA ASP A 15 6.484 -14.884 5.798 1.00 0.00 C ATOM 217 C ASP A 15 5.287 -15.345 4.994 1.00 0.00 C ATOM 218 O ASP A 15 5.340 -15.506 3.772 1.00 0.00 O ATOM 219 CB ASP A 15 7.412 -16.069 6.098 1.00 0.00 C ATOM 220 CG ASP A 15 7.923 -16.749 4.843 1.00 0.00 C ATOM 221 OD1 ASP A 15 8.923 -16.278 4.266 1.00 0.00 O ATOM 222 OD2 ASP A 15 7.324 -17.763 4.418 1.00 0.00 O ATOM 0 H ASP A 15 5.802 -14.953 7.781 1.00 0.00 H new ATOM 0 HA ASP A 15 7.058 -14.150 5.233 1.00 0.00 H new ATOM 0 HB2 ASP A 15 8.260 -15.720 6.687 1.00 0.00 H new ATOM 0 HB3 ASP A 15 6.878 -16.797 6.708 1.00 0.00 H new ATOM 227 N PHE A 16 4.198 -15.505 5.700 1.00 0.00 N ATOM 228 CA PHE A 16 2.961 -15.958 5.145 1.00 0.00 C ATOM 229 C PHE A 16 2.192 -14.782 4.540 1.00 0.00 C ATOM 230 O PHE A 16 1.950 -13.769 5.213 1.00 0.00 O ATOM 231 CB PHE A 16 2.137 -16.632 6.254 1.00 0.00 C ATOM 232 CG PHE A 16 0.771 -17.120 5.853 1.00 0.00 C ATOM 233 CD1 PHE A 16 0.623 -18.286 5.126 1.00 0.00 C ATOM 234 CD2 PHE A 16 -0.367 -16.417 6.222 1.00 0.00 C ATOM 235 CE1 PHE A 16 -0.632 -18.740 4.771 1.00 0.00 C ATOM 236 CE2 PHE A 16 -1.621 -16.865 5.870 1.00 0.00 C ATOM 237 CZ PHE A 16 -1.755 -18.028 5.143 1.00 0.00 C ATOM 0 H PHE A 16 4.152 -15.318 6.702 1.00 0.00 H new ATOM 0 HA PHE A 16 3.154 -16.678 4.350 1.00 0.00 H new ATOM 0 HB2 PHE A 16 2.706 -17.479 6.639 1.00 0.00 H new ATOM 0 HB3 PHE A 16 2.022 -15.925 7.076 1.00 0.00 H new ATOM 0 HD1 PHE A 16 1.498 -18.848 4.833 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -0.268 -15.506 6.793 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -0.735 -19.652 4.202 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -2.497 -16.306 6.163 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.737 -18.382 4.865 1.00 0.00 H new ATOM 247 N PRO A 17 1.831 -14.902 3.261 1.00 0.00 N ATOM 248 CA PRO A 17 1.057 -13.891 2.555 1.00 0.00 C ATOM 249 C PRO A 17 -0.406 -13.976 2.945 1.00 0.00 C ATOM 250 O PRO A 17 -0.935 -15.070 3.203 1.00 0.00 O ATOM 251 CB PRO A 17 1.246 -14.264 1.084 1.00 0.00 C ATOM 252 CG PRO A 17 1.549 -15.720 1.074 1.00 0.00 C ATOM 253 CD PRO A 17 2.155 -16.053 2.408 1.00 0.00 C ATOM 0 HA PRO A 17 1.374 -12.873 2.780 1.00 0.00 H new ATOM 0 HB2 PRO A 17 0.347 -14.047 0.506 1.00 0.00 H new ATOM 0 HB3 PRO A 17 2.059 -13.692 0.636 1.00 0.00 H new ATOM 0 HG2 PRO A 17 0.642 -16.301 0.907 1.00 0.00 H new ATOM 0 HG3 PRO A 17 2.238 -15.965 0.266 1.00 0.00 H new ATOM 0 HD2 PRO A 17 1.739 -16.976 2.813 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.233 -16.197 2.329 1.00 0.00 H new ATOM 261 N MET A 18 -1.061 -12.860 2.995 1.00 0.00 N ATOM 262 CA MET A 18 -2.440 -12.825 3.432 1.00 0.00 C ATOM 263 C MET A 18 -3.266 -12.032 2.459 1.00 0.00 C ATOM 264 O MET A 18 -2.987 -10.870 2.224 1.00 0.00 O ATOM 265 CB MET A 18 -2.534 -12.174 4.825 1.00 0.00 C ATOM 266 CG MET A 18 -1.774 -12.916 5.924 1.00 0.00 C ATOM 267 SD MET A 18 -1.814 -12.063 7.525 1.00 0.00 S ATOM 268 CE MET A 18 -0.973 -10.525 7.113 1.00 0.00 C ATOM 0 H MET A 18 -0.671 -11.953 2.740 1.00 0.00 H new ATOM 0 HA MET A 18 -2.817 -13.846 3.482 1.00 0.00 H new ATOM 0 HB2 MET A 18 -2.153 -11.155 4.762 1.00 0.00 H new ATOM 0 HB3 MET A 18 -3.584 -12.105 5.110 1.00 0.00 H new ATOM 0 HG2 MET A 18 -2.199 -13.913 6.041 1.00 0.00 H new ATOM 0 HG3 MET A 18 -0.737 -13.046 5.615 1.00 0.00 H new ATOM 0 HE1 MET A 18 -0.650 -10.030 8.029 1.00 0.00 H new ATOM 0 HE2 MET A 18 -0.104 -10.741 6.491 1.00 0.00 H new ATOM 0 HE3 MET A 18 -1.655 -9.872 6.569 1.00 0.00 H new ATOM 278 N GLU A 19 -4.284 -12.637 1.899 1.00 0.00 N ATOM 279 CA GLU A 19 -5.118 -11.916 0.978 1.00 0.00 C ATOM 280 C GLU A 19 -6.159 -11.165 1.751 1.00 0.00 C ATOM 281 O GLU A 19 -6.912 -11.759 2.539 1.00 0.00 O ATOM 282 CB GLU A 19 -5.820 -12.807 -0.056 1.00 0.00 C ATOM 283 CG GLU A 19 -4.927 -13.686 -0.919 1.00 0.00 C ATOM 284 CD GLU A 19 -4.370 -14.865 -0.174 1.00 0.00 C ATOM 285 OE1 GLU A 19 -5.157 -15.780 0.157 1.00 0.00 O ATOM 286 OE2 GLU A 19 -3.165 -14.901 0.112 1.00 0.00 O ATOM 0 H GLU A 19 -4.550 -13.608 2.062 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.461 -11.248 0.422 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -6.524 -13.451 0.472 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -6.406 -12.167 -0.715 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -5.497 -14.042 -1.778 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.104 -13.087 -1.309 1.00 0.00 H new ATOM 293 N LYS A 20 -6.205 -9.895 1.557 1.00 0.00 N ATOM 294 CA LYS A 20 -7.158 -9.085 2.214 1.00 0.00 C ATOM 295 C LYS A 20 -7.583 -7.977 1.285 1.00 0.00 C ATOM 296 O LYS A 20 -6.755 -7.296 0.695 1.00 0.00 O ATOM 297 CB LYS A 20 -6.585 -8.551 3.509 1.00 0.00 C ATOM 298 CG LYS A 20 -7.611 -7.868 4.366 1.00 0.00 C ATOM 299 CD LYS A 20 -7.041 -7.528 5.705 1.00 0.00 C ATOM 300 CE LYS A 20 -8.070 -6.859 6.597 1.00 0.00 C ATOM 301 NZ LYS A 20 -9.254 -7.724 6.817 1.00 0.00 N ATOM 0 H LYS A 20 -5.577 -9.389 0.933 1.00 0.00 H new ATOM 0 HA LYS A 20 -8.039 -9.673 2.472 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -6.140 -9.373 4.070 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -5.783 -7.849 3.283 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -7.958 -6.960 3.872 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -8.479 -8.516 4.489 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.676 -8.435 6.187 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.183 -6.867 5.579 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -7.615 -6.615 7.557 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.386 -5.919 6.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -9.809 -7.357 7.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -9.843 -7.730 5.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -8.941 -8.693 7.029 1.00 0.00 H new ATOM 315 N LYS A 21 -8.856 -7.803 1.157 1.00 0.00 N ATOM 316 CA LYS A 21 -9.409 -6.862 0.227 1.00 0.00 C ATOM 317 C LYS A 21 -9.866 -5.605 0.940 1.00 0.00 C ATOM 318 O LYS A 21 -10.548 -5.676 1.975 1.00 0.00 O ATOM 319 CB LYS A 21 -10.548 -7.541 -0.552 1.00 0.00 C ATOM 320 CG LYS A 21 -11.223 -6.684 -1.609 1.00 0.00 C ATOM 321 CD LYS A 21 -12.178 -7.512 -2.470 1.00 0.00 C ATOM 322 CE LYS A 21 -13.303 -8.137 -1.661 1.00 0.00 C ATOM 323 NZ LYS A 21 -14.187 -8.969 -2.504 1.00 0.00 N ATOM 0 H LYS A 21 -9.554 -8.313 1.699 1.00 0.00 H new ATOM 0 HA LYS A 21 -8.645 -6.550 -0.485 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -10.152 -8.435 -1.034 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -11.305 -7.871 0.160 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -11.773 -5.875 -1.128 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -10.466 -6.222 -2.243 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -12.604 -6.877 -3.247 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -11.617 -8.299 -2.974 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -12.881 -8.748 -0.863 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -13.889 -7.351 -1.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -14.942 -9.378 -1.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -14.609 -8.381 -3.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -13.633 -9.734 -2.938 1.00 0.00 H new ATOM 337 N TYR A 22 -9.492 -4.468 0.385 1.00 0.00 N ATOM 338 CA TYR A 22 -9.792 -3.167 0.954 1.00 0.00 C ATOM 339 C TYR A 22 -10.514 -2.319 -0.078 1.00 0.00 C ATOM 340 O TYR A 22 -10.365 -2.553 -1.280 1.00 0.00 O ATOM 341 CB TYR A 22 -8.498 -2.433 1.366 1.00 0.00 C ATOM 342 CG TYR A 22 -7.722 -3.041 2.514 1.00 0.00 C ATOM 343 CD1 TYR A 22 -6.789 -4.046 2.305 1.00 0.00 C ATOM 344 CD2 TYR A 22 -7.907 -2.580 3.811 1.00 0.00 C ATOM 345 CE1 TYR A 22 -6.065 -4.571 3.353 1.00 0.00 C ATOM 346 CE2 TYR A 22 -7.192 -3.105 4.865 1.00 0.00 C ATOM 347 CZ TYR A 22 -6.271 -4.098 4.630 1.00 0.00 C ATOM 348 OH TYR A 22 -5.547 -4.619 5.679 1.00 0.00 O ATOM 0 H TYR A 22 -8.964 -4.421 -0.486 1.00 0.00 H new ATOM 0 HA TYR A 22 -10.416 -3.318 1.835 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -7.841 -2.382 0.497 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -8.755 -1.408 1.631 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -6.628 -4.423 1.306 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -8.625 -1.795 3.997 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -5.339 -5.350 3.174 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -7.354 -2.739 5.868 1.00 0.00 H new ATOM 0 HH TYR A 22 -5.628 -4.029 6.457 1.00 0.00 H new ATOM 358 N PRO A 23 -11.322 -1.341 0.358 1.00 0.00 N ATOM 359 CA PRO A 23 -12.003 -0.431 -0.557 1.00 0.00 C ATOM 360 C PRO A 23 -11.018 0.490 -1.261 1.00 0.00 C ATOM 361 O PRO A 23 -10.049 0.962 -0.656 1.00 0.00 O ATOM 362 CB PRO A 23 -12.920 0.402 0.348 1.00 0.00 C ATOM 363 CG PRO A 23 -12.967 -0.325 1.645 1.00 0.00 C ATOM 364 CD PRO A 23 -11.657 -1.045 1.763 1.00 0.00 C ATOM 0 HA PRO A 23 -12.537 -0.974 -1.337 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -12.531 1.412 0.478 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -13.916 0.498 -0.084 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -13.108 0.367 2.475 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -13.801 -1.026 1.669 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -10.896 -0.426 2.239 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -11.747 -1.954 2.358 1.00 0.00 H new ATOM 372 N ALA A 24 -11.283 0.757 -2.517 1.00 0.00 N ATOM 373 CA ALA A 24 -10.441 1.607 -3.346 1.00 0.00 C ATOM 374 C ALA A 24 -10.354 3.014 -2.806 1.00 0.00 C ATOM 375 O ALA A 24 -9.321 3.674 -2.895 1.00 0.00 O ATOM 376 CB ALA A 24 -10.974 1.633 -4.752 1.00 0.00 C ATOM 0 H ALA A 24 -12.099 0.388 -3.005 1.00 0.00 H new ATOM 0 HA ALA A 24 -9.435 1.187 -3.337 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -10.341 2.270 -5.369 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -10.977 0.622 -5.159 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -11.991 2.026 -4.748 1.00 0.00 H new ATOM 382 N GLY A 25 -11.423 3.446 -2.240 1.00 0.00 N ATOM 383 CA GLY A 25 -11.517 4.781 -1.720 1.00 0.00 C ATOM 384 C GLY A 25 -10.977 4.918 -0.314 1.00 0.00 C ATOM 385 O GLY A 25 -11.004 6.008 0.253 1.00 0.00 O ATOM 0 H GLY A 25 -12.268 2.887 -2.119 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -10.972 5.458 -2.378 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -12.561 5.095 -1.733 1.00 0.00 H new ATOM 389 N MET A 26 -10.477 3.838 0.257 1.00 0.00 N ATOM 390 CA MET A 26 -9.993 3.904 1.617 1.00 0.00 C ATOM 391 C MET A 26 -8.566 4.491 1.660 1.00 0.00 C ATOM 392 O MET A 26 -7.842 4.473 0.658 1.00 0.00 O ATOM 393 CB MET A 26 -10.047 2.529 2.279 1.00 0.00 C ATOM 394 CG MET A 26 -10.169 2.583 3.788 1.00 0.00 C ATOM 395 SD MET A 26 -11.682 3.459 4.262 1.00 0.00 S ATOM 396 CE MET A 26 -11.660 3.304 6.039 1.00 0.00 C ATOM 0 H MET A 26 -10.397 2.925 -0.190 1.00 0.00 H new ATOM 0 HA MET A 26 -10.645 4.570 2.182 1.00 0.00 H new ATOM 0 HB2 MET A 26 -10.894 1.974 1.875 1.00 0.00 H new ATOM 0 HB3 MET A 26 -9.147 1.973 2.016 1.00 0.00 H new ATOM 0 HG2 MET A 26 -10.182 1.572 4.195 1.00 0.00 H new ATOM 0 HG3 MET A 26 -9.300 3.086 4.213 1.00 0.00 H new ATOM 0 HE1 MET A 26 -12.673 3.415 6.426 1.00 0.00 H new ATOM 0 HE2 MET A 26 -11.271 2.323 6.314 1.00 0.00 H new ATOM 0 HE3 MET A 26 -11.022 4.079 6.464 1.00 0.00 H new ATOM 406 N SER A 27 -8.200 5.003 2.806 1.00 0.00 N ATOM 407 CA SER A 27 -6.923 5.664 3.051 1.00 0.00 C ATOM 408 C SER A 27 -5.847 4.657 3.356 1.00 0.00 C ATOM 409 O SER A 27 -6.113 3.632 4.004 1.00 0.00 O ATOM 410 CB SER A 27 -7.117 6.534 4.272 1.00 0.00 C ATOM 411 OG SER A 27 -8.209 7.404 4.104 1.00 0.00 O ATOM 0 H SER A 27 -8.798 4.975 3.632 1.00 0.00 H new ATOM 0 HA SER A 27 -6.622 6.234 2.172 1.00 0.00 H new ATOM 0 HB2 SER A 27 -7.280 5.906 5.148 1.00 0.00 H new ATOM 0 HB3 SER A 27 -6.212 7.113 4.458 1.00 0.00 H new ATOM 0 HG SER A 27 -8.315 7.955 4.908 1.00 0.00 H new ATOM 417 N LEU A 28 -4.616 4.942 2.919 1.00 0.00 N ATOM 418 CA LEU A 28 -3.509 4.048 3.243 1.00 0.00 C ATOM 419 C LEU A 28 -3.251 4.199 4.750 1.00 0.00 C ATOM 420 O LEU A 28 -2.872 3.260 5.413 1.00 0.00 O ATOM 421 CB LEU A 28 -2.252 4.408 2.420 1.00 0.00 C ATOM 422 CG LEU A 28 -1.185 3.290 2.159 1.00 0.00 C ATOM 423 CD1 LEU A 28 -0.054 3.823 1.304 1.00 0.00 C ATOM 424 CD2 LEU A 28 -0.612 2.705 3.435 1.00 0.00 C ATOM 0 H LEU A 28 -4.369 5.758 2.359 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.753 3.015 2.995 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.585 4.781 1.452 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.751 5.234 2.924 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.708 2.489 1.636 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.677 3.033 1.134 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.450 4.163 0.347 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.426 4.657 1.815 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.120 1.937 3.186 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.129 3.494 4.012 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.415 2.263 4.025 1.00 0.00 H new ATOM 436 N ASN A 29 -3.522 5.411 5.279 1.00 0.00 N ATOM 437 CA ASN A 29 -3.397 5.686 6.743 1.00 0.00 C ATOM 438 C ASN A 29 -4.228 4.692 7.522 1.00 0.00 C ATOM 439 O ASN A 29 -3.778 4.128 8.515 1.00 0.00 O ATOM 440 CB ASN A 29 -3.902 7.100 7.132 1.00 0.00 C ATOM 441 CG ASN A 29 -3.161 8.271 6.510 1.00 0.00 C ATOM 442 OD1 ASN A 29 -3.755 9.333 6.292 1.00 0.00 O ATOM 443 ND2 ASN A 29 -1.898 8.115 6.220 1.00 0.00 N ATOM 0 H ASN A 29 -3.827 6.213 4.728 1.00 0.00 H new ATOM 0 HA ASN A 29 -2.336 5.608 6.979 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -4.954 7.176 6.858 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -3.848 7.197 8.216 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -1.372 8.882 5.801 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -1.437 7.226 6.412 1.00 0.00 H new ATOM 450 N ASP A 30 -5.443 4.465 7.047 1.00 0.00 N ATOM 451 CA ASP A 30 -6.376 3.558 7.704 1.00 0.00 C ATOM 452 C ASP A 30 -5.894 2.129 7.576 1.00 0.00 C ATOM 453 O ASP A 30 -6.052 1.318 8.484 1.00 0.00 O ATOM 454 CB ASP A 30 -7.733 3.682 7.064 1.00 0.00 C ATOM 455 CG ASP A 30 -8.810 2.966 7.841 1.00 0.00 C ATOM 456 OD1 ASP A 30 -9.379 3.583 8.767 1.00 0.00 O ATOM 457 OD2 ASP A 30 -9.117 1.815 7.535 1.00 0.00 O ATOM 0 H ASP A 30 -5.810 4.900 6.201 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.439 3.821 8.760 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -7.994 4.737 6.976 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -7.691 3.279 6.052 1.00 0.00 H new ATOM 462 N LEU A 31 -5.272 1.842 6.453 1.00 0.00 N ATOM 463 CA LEU A 31 -4.754 0.516 6.166 1.00 0.00 C ATOM 464 C LEU A 31 -3.584 0.265 7.115 1.00 0.00 C ATOM 465 O LEU A 31 -3.420 -0.823 7.653 1.00 0.00 O ATOM 466 CB LEU A 31 -4.326 0.459 4.679 1.00 0.00 C ATOM 467 CG LEU A 31 -4.073 -0.932 4.027 1.00 0.00 C ATOM 468 CD1 LEU A 31 -3.883 -0.766 2.535 1.00 0.00 C ATOM 469 CD2 LEU A 31 -2.853 -1.631 4.605 1.00 0.00 C ATOM 0 H LEU A 31 -5.109 2.521 5.710 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.503 -0.261 6.320 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.095 0.963 4.094 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.412 1.044 4.575 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.945 -1.551 4.240 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.706 -1.741 2.080 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.778 -0.320 2.102 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.028 -0.117 2.347 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.721 -2.596 4.116 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.968 -1.016 4.439 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.993 -1.782 5.675 1.00 0.00 H new ATOM 481 N LYS A 32 -2.796 1.299 7.329 1.00 0.00 N ATOM 482 CA LYS A 32 -1.698 1.253 8.282 1.00 0.00 C ATOM 483 C LYS A 32 -2.213 1.036 9.678 1.00 0.00 C ATOM 484 O LYS A 32 -1.623 0.316 10.430 1.00 0.00 O ATOM 485 CB LYS A 32 -0.876 2.533 8.258 1.00 0.00 C ATOM 486 CG LYS A 32 -0.222 2.829 6.937 1.00 0.00 C ATOM 487 CD LYS A 32 0.649 4.082 7.004 1.00 0.00 C ATOM 488 CE LYS A 32 1.774 3.956 8.023 1.00 0.00 C ATOM 489 NZ LYS A 32 2.623 5.166 8.062 1.00 0.00 N ATOM 0 H LYS A 32 -2.896 2.194 6.850 1.00 0.00 H new ATOM 0 HA LYS A 32 -1.061 0.419 7.987 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -1.522 3.370 8.525 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.104 2.469 9.025 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.388 1.978 6.635 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.988 2.959 6.173 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.075 4.278 6.020 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.027 4.940 7.259 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.350 3.778 9.011 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.389 3.089 7.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 3.278 5.104 8.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 3.166 5.238 7.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 2.022 6.008 8.168 1.00 0.00 H new ATOM 503 N LYS A 33 -3.322 1.658 10.009 1.00 0.00 N ATOM 504 CA LYS A 33 -3.909 1.521 11.322 1.00 0.00 C ATOM 505 C LYS A 33 -4.391 0.082 11.512 1.00 0.00 C ATOM 506 O LYS A 33 -4.385 -0.452 12.617 1.00 0.00 O ATOM 507 CB LYS A 33 -5.075 2.495 11.457 1.00 0.00 C ATOM 508 CG LYS A 33 -5.435 2.841 12.887 1.00 0.00 C ATOM 509 CD LYS A 33 -4.249 3.511 13.572 1.00 0.00 C ATOM 510 CE LYS A 33 -3.819 4.793 12.849 1.00 0.00 C ATOM 511 NZ LYS A 33 -2.565 5.327 13.392 1.00 0.00 N ATOM 0 H LYS A 33 -3.840 2.270 9.379 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.168 1.749 12.088 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.830 3.414 10.924 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.950 2.067 10.968 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -6.299 3.506 12.903 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.717 1.938 13.429 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.511 3.747 14.603 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.410 2.816 13.607 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.697 4.588 11.786 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.604 5.543 12.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -2.288 6.174 12.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -2.699 5.578 14.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -1.818 4.608 13.312 1.00 0.00 H new ATOM 525 N LYS A 34 -4.791 -0.539 10.410 1.00 0.00 N ATOM 526 CA LYS A 34 -5.214 -1.927 10.413 1.00 0.00 C ATOM 527 C LYS A 34 -3.978 -2.774 10.708 1.00 0.00 C ATOM 528 O LYS A 34 -4.018 -3.713 11.494 1.00 0.00 O ATOM 529 CB LYS A 34 -5.739 -2.309 9.027 1.00 0.00 C ATOM 530 CG LYS A 34 -7.002 -3.160 9.017 1.00 0.00 C ATOM 531 CD LYS A 34 -8.209 -2.353 9.495 1.00 0.00 C ATOM 532 CE LYS A 34 -8.414 -1.111 8.615 1.00 0.00 C ATOM 533 NZ LYS A 34 -9.599 -0.330 8.991 1.00 0.00 N ATOM 0 H LYS A 34 -4.830 -0.094 9.493 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.999 -2.085 11.153 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -5.933 -1.395 8.466 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.954 -2.848 8.496 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.185 -3.533 8.010 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -6.864 -4.030 9.659 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -9.103 -2.976 9.468 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -8.063 -2.050 10.532 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -7.531 -0.476 8.682 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -8.506 -1.421 7.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -9.452 0.668 8.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -10.431 -0.696 8.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -9.755 -0.407 10.016 1.00 0.00 H new ATOM 547 N LEU A 35 -2.879 -2.401 10.073 1.00 0.00 N ATOM 548 CA LEU A 35 -1.598 -3.029 10.250 1.00 0.00 C ATOM 549 C LEU A 35 -1.104 -2.832 11.685 1.00 0.00 C ATOM 550 O LEU A 35 -0.591 -3.755 12.304 1.00 0.00 O ATOM 551 CB LEU A 35 -0.617 -2.439 9.244 1.00 0.00 C ATOM 552 CG LEU A 35 -0.907 -2.704 7.764 1.00 0.00 C ATOM 553 CD1 LEU A 35 0.126 -2.014 6.892 1.00 0.00 C ATOM 554 CD2 LEU A 35 -0.928 -4.198 7.476 1.00 0.00 C ATOM 0 H LEU A 35 -2.862 -1.631 9.404 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.683 -4.102 10.076 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.581 -1.360 9.396 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.377 -2.826 9.471 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.891 -2.297 7.531 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.093 -2.212 5.843 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.096 -0.940 7.073 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.118 -2.395 7.133 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.136 -4.362 6.419 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.041 -4.631 7.727 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.704 -4.673 8.076 1.00 0.00 H new ATOM 566 N GLU A 36 -1.283 -1.630 12.204 1.00 0.00 N ATOM 567 CA GLU A 36 -0.976 -1.304 13.568 1.00 0.00 C ATOM 568 C GLU A 36 -1.800 -2.157 14.519 1.00 0.00 C ATOM 569 O GLU A 36 -1.340 -2.549 15.577 1.00 0.00 O ATOM 570 CB GLU A 36 -1.258 0.175 13.815 1.00 0.00 C ATOM 571 CG GLU A 36 -0.276 1.134 13.188 1.00 0.00 C ATOM 572 CD GLU A 36 -0.621 2.563 13.493 1.00 0.00 C ATOM 573 OE1 GLU A 36 -0.466 2.991 14.663 1.00 0.00 O ATOM 574 OE2 GLU A 36 -1.084 3.277 12.592 1.00 0.00 O ATOM 0 H GLU A 36 -1.654 -0.844 11.670 1.00 0.00 H new ATOM 0 HA GLU A 36 0.079 -1.507 13.750 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.255 0.405 13.439 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -1.274 0.350 14.891 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.728 0.917 13.553 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.262 0.986 12.108 1.00 0.00 H new ATOM 581 N LEU A 37 -3.005 -2.448 14.132 1.00 0.00 N ATOM 582 CA LEU A 37 -3.884 -3.250 14.943 1.00 0.00 C ATOM 583 C LEU A 37 -3.495 -4.734 14.883 1.00 0.00 C ATOM 584 O LEU A 37 -3.339 -5.391 15.916 1.00 0.00 O ATOM 585 CB LEU A 37 -5.340 -3.053 14.505 1.00 0.00 C ATOM 586 CG LEU A 37 -6.409 -3.763 15.338 1.00 0.00 C ATOM 587 CD1 LEU A 37 -6.415 -3.254 16.773 1.00 0.00 C ATOM 588 CD2 LEU A 37 -7.772 -3.592 14.700 1.00 0.00 C ATOM 0 H LEU A 37 -3.410 -2.139 13.248 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.784 -2.922 15.978 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.556 -1.985 14.513 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.434 -3.390 13.473 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.170 -4.826 15.365 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -7.185 -3.776 17.341 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.441 -3.436 17.228 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -6.623 -2.184 16.779 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.523 -4.102 15.303 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -8.015 -2.531 14.639 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.761 -4.019 13.697 1.00 0.00 H new ATOM 600 N VAL A 38 -3.328 -5.245 13.685 1.00 0.00 N ATOM 601 CA VAL A 38 -3.027 -6.657 13.491 1.00 0.00 C ATOM 602 C VAL A 38 -1.575 -6.999 13.859 1.00 0.00 C ATOM 603 O VAL A 38 -1.324 -8.012 14.502 1.00 0.00 O ATOM 604 CB VAL A 38 -3.333 -7.117 12.028 1.00 0.00 C ATOM 605 CG1 VAL A 38 -3.005 -8.596 11.833 1.00 0.00 C ATOM 606 CG2 VAL A 38 -4.796 -6.856 11.683 1.00 0.00 C ATOM 0 H VAL A 38 -3.395 -4.706 12.822 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.682 -7.203 14.170 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.700 -6.537 11.357 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.228 -8.886 10.806 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.947 -8.764 12.036 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.605 -9.195 12.518 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.993 -7.182 10.662 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.436 -7.410 12.370 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.006 -5.790 11.771 1.00 0.00 H new ATOM 616 N VAL A 39 -0.646 -6.153 13.489 1.00 0.00 N ATOM 617 CA VAL A 39 0.761 -6.432 13.731 1.00 0.00 C ATOM 618 C VAL A 39 1.247 -5.775 15.021 1.00 0.00 C ATOM 619 O VAL A 39 2.178 -6.259 15.659 1.00 0.00 O ATOM 620 CB VAL A 39 1.657 -6.006 12.525 1.00 0.00 C ATOM 621 CG1 VAL A 39 3.097 -6.468 12.719 1.00 0.00 C ATOM 622 CG2 VAL A 39 1.096 -6.550 11.213 1.00 0.00 C ATOM 0 H VAL A 39 -0.830 -5.266 13.020 1.00 0.00 H new ATOM 0 HA VAL A 39 0.852 -7.512 13.844 1.00 0.00 H new ATOM 0 HB VAL A 39 1.653 -4.917 12.478 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.697 -6.157 11.864 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.503 -6.023 13.628 1.00 0.00 H new ATOM 0 HG13 VAL A 39 3.122 -7.554 12.804 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.737 -6.240 10.387 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.060 -7.639 11.256 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.090 -6.160 11.058 1.00 0.00 H new ATOM 632 N GLY A 40 0.606 -4.693 15.426 1.00 0.00 N ATOM 633 CA GLY A 40 1.039 -4.011 16.632 1.00 0.00 C ATOM 634 C GLY A 40 2.137 -2.999 16.365 1.00 0.00 C ATOM 635 O GLY A 40 2.677 -2.402 17.296 1.00 0.00 O ATOM 0 H GLY A 40 -0.195 -4.276 14.952 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.186 -3.506 17.086 1.00 0.00 H new ATOM 0 HA3 GLY A 40 1.395 -4.746 17.354 1.00 0.00 H new ATOM 639 N THR A 41 2.478 -2.822 15.099 1.00 0.00 N ATOM 640 CA THR A 41 3.505 -1.847 14.695 1.00 0.00 C ATOM 641 C THR A 41 2.991 -0.385 14.947 1.00 0.00 C ATOM 642 O THR A 41 1.821 -0.186 15.293 1.00 0.00 O ATOM 643 CB THR A 41 3.828 -2.029 13.188 1.00 0.00 C ATOM 644 OG1 THR A 41 3.910 -3.428 12.899 1.00 0.00 O ATOM 645 CG2 THR A 41 5.185 -1.420 12.839 1.00 0.00 C ATOM 0 H THR A 41 2.063 -3.338 14.323 1.00 0.00 H new ATOM 0 HA THR A 41 4.405 -2.014 15.286 1.00 0.00 H new ATOM 0 HB THR A 41 3.043 -1.538 12.613 1.00 0.00 H new ATOM 0 HG1 THR A 41 4.112 -3.554 11.948 1.00 0.00 H new ATOM 0 HG21 THR A 41 5.385 -1.562 11.777 1.00 0.00 H new ATOM 0 HG22 THR A 41 5.175 -0.354 13.067 1.00 0.00 H new ATOM 0 HG23 THR A 41 5.964 -1.909 13.424 1.00 0.00 H new ATOM 653 N THR A 42 3.865 0.602 14.794 1.00 0.00 N ATOM 654 CA THR A 42 3.503 2.001 14.969 1.00 0.00 C ATOM 655 C THR A 42 3.227 2.645 13.599 1.00 0.00 C ATOM 656 O THR A 42 3.215 1.951 12.587 1.00 0.00 O ATOM 657 CB THR A 42 4.632 2.765 15.683 1.00 0.00 C ATOM 658 OG1 THR A 42 5.846 2.623 14.936 1.00 0.00 O ATOM 659 CG2 THR A 42 4.847 2.228 17.084 1.00 0.00 C ATOM 0 H THR A 42 4.843 0.454 14.545 1.00 0.00 H new ATOM 0 HA THR A 42 2.603 2.053 15.582 1.00 0.00 H new ATOM 0 HB THR A 42 4.349 3.816 15.751 1.00 0.00 H new ATOM 0 HG1 THR A 42 6.545 2.252 15.515 1.00 0.00 H new ATOM 0 HG21 THR A 42 5.650 2.784 17.568 1.00 0.00 H new ATOM 0 HG22 THR A 42 3.929 2.340 17.661 1.00 0.00 H new ATOM 0 HG23 THR A 42 5.117 1.173 17.032 1.00 0.00 H new ATOM 667 N VAL A 43 3.024 3.958 13.559 1.00 0.00 N ATOM 668 CA VAL A 43 2.678 4.615 12.301 1.00 0.00 C ATOM 669 C VAL A 43 3.920 5.024 11.543 1.00 0.00 C ATOM 670 O VAL A 43 4.061 4.738 10.353 1.00 0.00 O ATOM 671 CB VAL A 43 1.839 5.904 12.528 1.00 0.00 C ATOM 672 CG1 VAL A 43 1.302 6.468 11.223 1.00 0.00 C ATOM 673 CG2 VAL A 43 0.743 5.709 13.537 1.00 0.00 C ATOM 0 H VAL A 43 3.091 4.579 14.365 1.00 0.00 H new ATOM 0 HA VAL A 43 2.097 3.887 11.735 1.00 0.00 H new ATOM 0 HB VAL A 43 2.522 6.643 12.947 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.722 7.368 11.427 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.134 6.714 10.563 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.664 5.727 10.741 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.189 6.640 13.657 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.067 4.926 13.193 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.177 5.419 14.494 1.00 0.00 H new ATOM 683 N ASP A 44 4.818 5.664 12.232 1.00 0.00 N ATOM 684 CA ASP A 44 5.988 6.233 11.604 1.00 0.00 C ATOM 685 C ASP A 44 7.026 5.195 11.303 1.00 0.00 C ATOM 686 O ASP A 44 7.671 5.228 10.253 1.00 0.00 O ATOM 687 CB ASP A 44 6.574 7.341 12.462 1.00 0.00 C ATOM 688 CG ASP A 44 7.795 7.959 11.834 1.00 0.00 C ATOM 689 OD1 ASP A 44 7.645 8.823 10.945 1.00 0.00 O ATOM 690 OD2 ASP A 44 8.925 7.605 12.229 1.00 0.00 O ATOM 0 H ASP A 44 4.767 5.809 13.240 1.00 0.00 H new ATOM 0 HA ASP A 44 5.668 6.658 10.653 1.00 0.00 H new ATOM 0 HB2 ASP A 44 5.820 8.112 12.622 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.834 6.941 13.442 1.00 0.00 H new ATOM 695 N SER A 45 7.176 4.258 12.200 1.00 0.00 N ATOM 696 CA SER A 45 8.148 3.251 12.058 1.00 0.00 C ATOM 697 C SER A 45 7.690 2.142 11.126 1.00 0.00 C ATOM 698 O SER A 45 8.451 1.224 10.821 1.00 0.00 O ATOM 699 CB SER A 45 8.480 2.732 13.409 1.00 0.00 C ATOM 700 OG SER A 45 8.935 3.792 14.246 1.00 0.00 O ATOM 0 H SER A 45 6.615 4.187 13.049 1.00 0.00 H new ATOM 0 HA SER A 45 9.041 3.673 11.597 1.00 0.00 H new ATOM 0 HB2 SER A 45 7.602 2.261 13.851 1.00 0.00 H new ATOM 0 HB3 SER A 45 9.249 1.964 13.332 1.00 0.00 H new ATOM 0 HG SER A 45 9.746 3.510 14.719 1.00 0.00 H new ATOM 706 N MET A 46 6.468 2.225 10.676 1.00 0.00 N ATOM 707 CA MET A 46 5.975 1.256 9.746 1.00 0.00 C ATOM 708 C MET A 46 6.019 1.817 8.336 1.00 0.00 C ATOM 709 O MET A 46 5.290 2.757 7.987 1.00 0.00 O ATOM 710 CB MET A 46 4.588 0.793 10.114 1.00 0.00 C ATOM 711 CG MET A 46 4.062 -0.327 9.240 1.00 0.00 C ATOM 712 SD MET A 46 2.516 -0.997 9.856 1.00 0.00 S ATOM 713 CE MET A 46 1.535 0.489 9.956 1.00 0.00 C ATOM 0 H MET A 46 5.801 2.951 10.938 1.00 0.00 H new ATOM 0 HA MET A 46 6.622 0.380 9.787 1.00 0.00 H new ATOM 0 HB2 MET A 46 4.590 0.460 11.152 1.00 0.00 H new ATOM 0 HB3 MET A 46 3.905 1.640 10.052 1.00 0.00 H new ATOM 0 HG2 MET A 46 3.917 0.044 8.225 1.00 0.00 H new ATOM 0 HG3 MET A 46 4.805 -1.123 9.185 1.00 0.00 H new ATOM 0 HE1 MET A 46 0.493 0.252 9.743 1.00 0.00 H new ATOM 0 HE2 MET A 46 1.614 0.910 10.958 1.00 0.00 H new ATOM 0 HE3 MET A 46 1.898 1.214 9.228 1.00 0.00 H new ATOM 723 N ARG A 47 6.872 1.236 7.562 1.00 0.00 N ATOM 724 CA ARG A 47 7.142 1.616 6.201 1.00 0.00 C ATOM 725 C ARG A 47 6.426 0.627 5.288 1.00 0.00 C ATOM 726 O ARG A 47 6.336 -0.548 5.622 1.00 0.00 O ATOM 727 CB ARG A 47 8.629 1.541 6.028 1.00 0.00 C ATOM 728 CG ARG A 47 9.173 2.032 4.738 1.00 0.00 C ATOM 729 CD ARG A 47 10.666 1.888 4.771 1.00 0.00 C ATOM 730 NE ARG A 47 11.296 2.450 3.614 1.00 0.00 N ATOM 731 CZ ARG A 47 12.584 2.440 3.390 1.00 0.00 C ATOM 732 NH1 ARG A 47 13.406 1.890 4.279 1.00 0.00 N ATOM 733 NH2 ARG A 47 13.055 2.988 2.284 1.00 0.00 N ATOM 0 H ARG A 47 7.433 0.441 7.870 1.00 0.00 H new ATOM 0 HA ARG A 47 6.793 2.620 5.959 1.00 0.00 H new ATOM 0 HB2 ARG A 47 9.095 2.110 6.833 1.00 0.00 H new ATOM 0 HB3 ARG A 47 8.935 0.502 6.153 1.00 0.00 H new ATOM 0 HG2 ARG A 47 8.755 1.462 3.908 1.00 0.00 H new ATOM 0 HG3 ARG A 47 8.895 3.074 4.581 1.00 0.00 H new ATOM 0 HD2 ARG A 47 11.055 2.375 5.665 1.00 0.00 H new ATOM 0 HD3 ARG A 47 10.925 0.832 4.845 1.00 0.00 H new ATOM 0 HE ARG A 47 10.697 2.889 2.915 1.00 0.00 H new ATOM 0 HH11 ARG A 47 13.031 1.477 5.133 1.00 0.00 H new ATOM 0 HH12 ARG A 47 14.411 1.881 4.107 1.00 0.00 H new ATOM 0 HH21 ARG A 47 12.415 3.414 1.614 1.00 0.00 H new ATOM 0 HH22 ARG A 47 14.058 2.985 2.101 1.00 0.00 H new ATOM 747 N ILE A 48 5.885 1.079 4.167 1.00 0.00 N ATOM 748 CA ILE A 48 5.050 0.194 3.363 1.00 0.00 C ATOM 749 C ILE A 48 5.538 0.157 1.949 1.00 0.00 C ATOM 750 O ILE A 48 5.620 1.177 1.327 1.00 0.00 O ATOM 751 CB ILE A 48 3.505 0.599 3.368 1.00 0.00 C ATOM 752 CG1 ILE A 48 2.791 0.345 4.725 1.00 0.00 C ATOM 753 CG2 ILE A 48 2.737 -0.079 2.246 1.00 0.00 C ATOM 754 CD1 ILE A 48 3.197 1.247 5.860 1.00 0.00 C ATOM 0 H ILE A 48 6.002 2.023 3.800 1.00 0.00 H new ATOM 0 HA ILE A 48 5.131 -0.791 3.823 1.00 0.00 H new ATOM 0 HB ILE A 48 3.502 1.677 3.204 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.716 0.446 4.573 1.00 0.00 H new ATOM 0 HG13 ILE A 48 2.975 -0.687 5.023 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.691 0.224 2.286 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.163 0.213 1.286 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.806 -1.161 2.360 1.00 0.00 H new ATOM 0 HD11 ILE A 48 2.636 0.980 6.756 1.00 0.00 H new ATOM 0 HD12 ILE A 48 4.264 1.132 6.052 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.985 2.283 5.595 1.00 0.00 H new ATOM 766 N GLN A 49 5.803 -1.017 1.433 1.00 0.00 N ATOM 767 CA GLN A 49 6.216 -1.144 0.073 1.00 0.00 C ATOM 768 C GLN A 49 5.120 -1.785 -0.730 1.00 0.00 C ATOM 769 O GLN A 49 4.478 -2.734 -0.279 1.00 0.00 O ATOM 770 CB GLN A 49 7.518 -1.955 -0.114 1.00 0.00 C ATOM 771 CG GLN A 49 8.815 -1.274 0.329 1.00 0.00 C ATOM 772 CD GLN A 49 8.986 -1.156 1.823 1.00 0.00 C ATOM 773 OE1 GLN A 49 8.577 -0.186 2.437 1.00 0.00 O ATOM 774 NE2 GLN A 49 9.622 -2.137 2.413 1.00 0.00 N ATOM 0 H GLN A 49 5.737 -1.898 1.943 1.00 0.00 H new ATOM 0 HA GLN A 49 6.423 -0.132 -0.276 1.00 0.00 H new ATOM 0 HB2 GLN A 49 7.419 -2.891 0.436 1.00 0.00 H new ATOM 0 HB3 GLN A 49 7.611 -2.213 -1.169 1.00 0.00 H new ATOM 0 HG2 GLN A 49 9.659 -1.832 -0.077 1.00 0.00 H new ATOM 0 HG3 GLN A 49 8.853 -0.276 -0.107 1.00 0.00 H new ATOM 0 HE21 GLN A 49 9.950 -2.934 1.867 1.00 0.00 H new ATOM 0 HE22 GLN A 49 9.789 -2.105 3.419 1.00 0.00 H new ATOM 783 N LEU A 50 4.907 -1.270 -1.905 1.00 0.00 N ATOM 784 CA LEU A 50 3.876 -1.767 -2.785 1.00 0.00 C ATOM 785 C LEU A 50 4.511 -2.441 -3.976 1.00 0.00 C ATOM 786 O LEU A 50 5.187 -1.793 -4.801 1.00 0.00 O ATOM 787 CB LEU A 50 2.911 -0.606 -3.199 1.00 0.00 C ATOM 788 CG LEU A 50 1.665 -0.918 -4.104 1.00 0.00 C ATOM 789 CD1 LEU A 50 0.765 0.289 -4.143 1.00 0.00 C ATOM 790 CD2 LEU A 50 2.068 -1.235 -5.536 1.00 0.00 C ATOM 0 H LEU A 50 5.442 -0.490 -2.287 1.00 0.00 H new ATOM 0 HA LEU A 50 3.272 -2.512 -2.267 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.541 -0.147 -2.282 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.508 0.146 -3.714 1.00 0.00 H new ATOM 0 HG LEU A 50 1.161 -1.784 -3.676 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.101 0.077 -4.770 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.432 0.527 -3.133 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.312 1.137 -4.554 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.176 -1.445 -6.127 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.594 -0.381 -5.963 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.723 -2.107 -5.545 1.00 0.00 H new ATOM 802 N PHE A 51 4.316 -3.716 -4.055 1.00 0.00 N ATOM 803 CA PHE A 51 4.810 -4.504 -5.142 1.00 0.00 C ATOM 804 C PHE A 51 3.622 -4.947 -5.947 1.00 0.00 C ATOM 805 O PHE A 51 2.542 -5.155 -5.388 1.00 0.00 O ATOM 806 CB PHE A 51 5.524 -5.766 -4.622 1.00 0.00 C ATOM 807 CG PHE A 51 6.692 -5.536 -3.703 1.00 0.00 C ATOM 808 CD1 PHE A 51 7.971 -5.393 -4.210 1.00 0.00 C ATOM 809 CD2 PHE A 51 6.515 -5.490 -2.328 1.00 0.00 C ATOM 810 CE1 PHE A 51 9.051 -5.201 -3.366 1.00 0.00 C ATOM 811 CE2 PHE A 51 7.589 -5.302 -1.481 1.00 0.00 C ATOM 812 CZ PHE A 51 8.860 -5.157 -2.002 1.00 0.00 C ATOM 0 H PHE A 51 3.801 -4.251 -3.356 1.00 0.00 H new ATOM 0 HA PHE A 51 5.514 -3.915 -5.729 1.00 0.00 H new ATOM 0 HB2 PHE A 51 4.793 -6.383 -4.099 1.00 0.00 H new ATOM 0 HB3 PHE A 51 5.871 -6.342 -5.480 1.00 0.00 H new ATOM 0 HD1 PHE A 51 8.129 -5.432 -5.278 1.00 0.00 H new ATOM 0 HD2 PHE A 51 5.524 -5.603 -1.914 1.00 0.00 H new ATOM 0 HE1 PHE A 51 10.043 -5.086 -3.776 1.00 0.00 H new ATOM 0 HE2 PHE A 51 7.436 -5.268 -0.412 1.00 0.00 H new ATOM 0 HZ PHE A 51 9.702 -5.010 -1.342 1.00 0.00 H new ATOM 822 N ASP A 52 3.774 -5.075 -7.221 1.00 0.00 N ATOM 823 CA ASP A 52 2.716 -5.593 -8.011 1.00 0.00 C ATOM 824 C ASP A 52 2.815 -7.092 -8.094 1.00 0.00 C ATOM 825 O ASP A 52 3.674 -7.711 -7.459 1.00 0.00 O ATOM 826 CB ASP A 52 2.663 -4.970 -9.407 1.00 0.00 C ATOM 827 CG ASP A 52 3.960 -5.012 -10.183 1.00 0.00 C ATOM 828 OD1 ASP A 52 4.537 -6.096 -10.340 1.00 0.00 O ATOM 829 OD2 ASP A 52 4.375 -3.959 -10.689 1.00 0.00 O ATOM 0 H ASP A 52 4.620 -4.828 -7.735 1.00 0.00 H new ATOM 0 HA ASP A 52 1.782 -5.324 -7.517 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.895 -5.482 -9.987 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.349 -3.930 -9.311 1.00 0.00 H new ATOM 834 N GLY A 53 1.941 -7.673 -8.855 1.00 0.00 N ATOM 835 CA GLY A 53 1.959 -9.100 -9.032 1.00 0.00 C ATOM 836 C GLY A 53 2.536 -9.445 -10.373 1.00 0.00 C ATOM 837 O GLY A 53 2.360 -10.560 -10.881 1.00 0.00 O ATOM 0 H GLY A 53 1.205 -7.186 -9.365 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.550 -9.565 -8.243 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.947 -9.497 -8.949 1.00 0.00 H new ATOM 841 N ASP A 54 3.223 -8.487 -10.945 1.00 0.00 N ATOM 842 CA ASP A 54 3.814 -8.634 -12.241 1.00 0.00 C ATOM 843 C ASP A 54 5.282 -8.962 -12.063 1.00 0.00 C ATOM 844 O ASP A 54 5.771 -9.956 -12.633 1.00 0.00 O ATOM 845 CB ASP A 54 3.648 -7.336 -13.044 1.00 0.00 C ATOM 846 CG ASP A 54 4.092 -7.450 -14.480 1.00 0.00 C ATOM 847 OD1 ASP A 54 5.268 -7.204 -14.777 1.00 0.00 O ATOM 848 OD2 ASP A 54 3.237 -7.760 -15.355 1.00 0.00 O ATOM 0 H ASP A 54 3.386 -7.576 -10.515 1.00 0.00 H new ATOM 0 HA ASP A 54 3.322 -9.437 -12.789 1.00 0.00 H new ATOM 0 HB2 ASP A 54 2.600 -7.036 -13.020 1.00 0.00 H new ATOM 0 HB3 ASP A 54 4.218 -6.544 -12.559 1.00 0.00 H new ATOM 853 N ASP A 55 5.975 -8.145 -11.228 1.00 0.00 N ATOM 854 CA ASP A 55 7.402 -8.327 -10.928 1.00 0.00 C ATOM 855 C ASP A 55 7.982 -7.206 -10.059 1.00 0.00 C ATOM 856 O ASP A 55 8.785 -7.453 -9.134 1.00 0.00 O ATOM 857 CB ASP A 55 8.236 -8.374 -12.214 1.00 0.00 C ATOM 858 CG ASP A 55 9.719 -8.548 -11.944 1.00 0.00 C ATOM 859 OD1 ASP A 55 10.168 -9.699 -11.726 1.00 0.00 O ATOM 860 OD2 ASP A 55 10.462 -7.548 -11.927 1.00 0.00 O ATOM 0 H ASP A 55 5.554 -7.348 -10.751 1.00 0.00 H new ATOM 0 HA ASP A 55 7.458 -9.270 -10.384 1.00 0.00 H new ATOM 0 HB2 ASP A 55 7.886 -9.195 -12.839 1.00 0.00 H new ATOM 0 HB3 ASP A 55 8.079 -7.455 -12.778 1.00 0.00 H new ATOM 865 N GLN A 56 7.576 -6.010 -10.330 1.00 0.00 N ATOM 866 CA GLN A 56 8.273 -4.849 -9.832 1.00 0.00 C ATOM 867 C GLN A 56 7.655 -4.129 -8.630 1.00 0.00 C ATOM 868 O GLN A 56 6.458 -4.225 -8.337 1.00 0.00 O ATOM 869 CB GLN A 56 8.508 -3.885 -10.983 1.00 0.00 C ATOM 870 CG GLN A 56 7.250 -3.547 -11.758 1.00 0.00 C ATOM 871 CD GLN A 56 7.499 -2.592 -12.884 1.00 0.00 C ATOM 872 OE1 GLN A 56 7.414 -1.378 -12.711 1.00 0.00 O ATOM 873 NE2 GLN A 56 7.807 -3.112 -14.041 1.00 0.00 N ATOM 0 H GLN A 56 6.756 -5.800 -10.900 1.00 0.00 H new ATOM 0 HA GLN A 56 9.209 -5.232 -9.426 1.00 0.00 H new ATOM 0 HB2 GLN A 56 8.942 -2.965 -10.592 1.00 0.00 H new ATOM 0 HB3 GLN A 56 9.240 -4.318 -11.665 1.00 0.00 H new ATOM 0 HG2 GLN A 56 6.817 -4.465 -12.156 1.00 0.00 H new ATOM 0 HG3 GLN A 56 6.515 -3.116 -11.078 1.00 0.00 H new ATOM 0 HE21 GLN A 56 7.868 -4.125 -14.145 1.00 0.00 H new ATOM 0 HE22 GLN A 56 7.987 -2.505 -14.841 1.00 0.00 H new ATOM 882 N LEU A 57 8.534 -3.435 -7.921 1.00 0.00 N ATOM 883 CA LEU A 57 8.195 -2.557 -6.830 1.00 0.00 C ATOM 884 C LEU A 57 7.799 -1.215 -7.402 1.00 0.00 C ATOM 885 O LEU A 57 8.514 -0.653 -8.247 1.00 0.00 O ATOM 886 CB LEU A 57 9.415 -2.380 -5.897 1.00 0.00 C ATOM 887 CG LEU A 57 9.266 -1.378 -4.733 1.00 0.00 C ATOM 888 CD1 LEU A 57 8.171 -1.793 -3.775 1.00 0.00 C ATOM 889 CD2 LEU A 57 10.581 -1.212 -3.994 1.00 0.00 C ATOM 0 H LEU A 57 9.537 -3.475 -8.103 1.00 0.00 H new ATOM 0 HA LEU A 57 7.372 -2.981 -6.255 1.00 0.00 H new ATOM 0 HB2 LEU A 57 9.664 -3.354 -5.476 1.00 0.00 H new ATOM 0 HB3 LEU A 57 10.265 -2.069 -6.505 1.00 0.00 H new ATOM 0 HG LEU A 57 8.984 -0.418 -5.164 1.00 0.00 H new ATOM 0 HD11 LEU A 57 8.097 -1.063 -2.969 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.221 -1.844 -4.308 1.00 0.00 H new ATOM 0 HD13 LEU A 57 8.405 -2.772 -3.357 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.452 -0.501 -3.178 1.00 0.00 H new ATOM 0 HD22 LEU A 57 10.896 -2.175 -3.591 1.00 0.00 H new ATOM 0 HD23 LEU A 57 11.341 -0.841 -4.682 1.00 0.00 H new ATOM 901 N LYS A 58 6.688 -0.703 -6.976 1.00 0.00 N ATOM 902 CA LYS A 58 6.252 0.589 -7.436 1.00 0.00 C ATOM 903 C LYS A 58 6.797 1.680 -6.560 1.00 0.00 C ATOM 904 O LYS A 58 7.186 2.745 -7.032 1.00 0.00 O ATOM 905 CB LYS A 58 4.743 0.660 -7.512 1.00 0.00 C ATOM 906 CG LYS A 58 4.138 -0.262 -8.565 1.00 0.00 C ATOM 907 CD LYS A 58 4.716 0.039 -9.941 1.00 0.00 C ATOM 908 CE LYS A 58 4.136 -0.855 -11.008 1.00 0.00 C ATOM 909 NZ LYS A 58 4.754 -0.588 -12.323 1.00 0.00 N ATOM 0 H LYS A 58 6.062 -1.155 -6.310 1.00 0.00 H new ATOM 0 HA LYS A 58 6.644 0.736 -8.443 1.00 0.00 H new ATOM 0 HB2 LYS A 58 4.327 0.406 -6.537 1.00 0.00 H new ATOM 0 HB3 LYS A 58 4.447 1.687 -7.727 1.00 0.00 H new ATOM 0 HG2 LYS A 58 4.335 -1.301 -8.302 1.00 0.00 H new ATOM 0 HG3 LYS A 58 3.055 -0.138 -8.585 1.00 0.00 H new ATOM 0 HD2 LYS A 58 4.521 1.081 -10.196 1.00 0.00 H new ATOM 0 HD3 LYS A 58 5.799 -0.085 -9.914 1.00 0.00 H new ATOM 0 HE2 LYS A 58 4.291 -1.899 -10.735 1.00 0.00 H new ATOM 0 HE3 LYS A 58 3.059 -0.699 -11.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 4.300 -1.181 -13.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 4.628 0.415 -12.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 5.769 -0.809 -12.281 1.00 0.00 H new ATOM 923 N GLY A 59 6.825 1.418 -5.302 1.00 0.00 N ATOM 924 CA GLY A 59 7.370 2.355 -4.372 1.00 0.00 C ATOM 925 C GLY A 59 6.902 2.063 -2.993 1.00 0.00 C ATOM 926 O GLY A 59 6.343 0.984 -2.745 1.00 0.00 O ATOM 0 H GLY A 59 6.475 0.556 -4.885 1.00 0.00 H new ATOM 0 HA2 GLY A 59 8.459 2.317 -4.407 1.00 0.00 H new ATOM 0 HA3 GLY A 59 7.077 3.366 -4.654 1.00 0.00 H new ATOM 930 N GLU A 60 7.101 2.984 -2.098 1.00 0.00 N ATOM 931 CA GLU A 60 6.692 2.793 -0.744 1.00 0.00 C ATOM 932 C GLU A 60 5.746 3.900 -0.326 1.00 0.00 C ATOM 933 O GLU A 60 6.042 5.071 -0.524 1.00 0.00 O ATOM 934 CB GLU A 60 7.908 2.735 0.203 1.00 0.00 C ATOM 935 CG GLU A 60 8.660 4.019 0.286 1.00 0.00 C ATOM 936 CD GLU A 60 9.912 3.941 1.093 1.00 0.00 C ATOM 937 OE1 GLU A 60 10.993 3.629 0.538 1.00 0.00 O ATOM 938 OE2 GLU A 60 9.850 4.217 2.288 1.00 0.00 O ATOM 0 H GLU A 60 7.548 3.881 -2.286 1.00 0.00 H new ATOM 0 HA GLU A 60 6.172 1.838 -0.676 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.568 2.457 1.201 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.584 1.949 -0.134 1.00 0.00 H new ATOM 0 HG2 GLU A 60 8.911 4.347 -0.723 1.00 0.00 H new ATOM 0 HG3 GLU A 60 8.010 4.781 0.716 1.00 0.00 H new ATOM 945 N LEU A 61 4.602 3.512 0.215 1.00 0.00 N ATOM 946 CA LEU A 61 3.585 4.429 0.751 1.00 0.00 C ATOM 947 C LEU A 61 3.350 5.733 -0.027 1.00 0.00 C ATOM 948 O LEU A 61 2.568 5.773 -0.980 1.00 0.00 O ATOM 949 CB LEU A 61 3.653 4.551 2.316 1.00 0.00 C ATOM 950 CG LEU A 61 5.062 4.605 3.006 1.00 0.00 C ATOM 951 CD1 LEU A 61 5.846 5.870 2.715 1.00 0.00 C ATOM 952 CD2 LEU A 61 4.945 4.377 4.499 1.00 0.00 C ATOM 0 H LEU A 61 4.340 2.530 0.300 1.00 0.00 H new ATOM 0 HA LEU A 61 2.635 3.935 0.547 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.110 5.452 2.601 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.110 3.705 2.738 1.00 0.00 H new ATOM 0 HG LEU A 61 5.636 3.791 2.562 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.807 5.829 3.228 1.00 0.00 H new ATOM 0 HD12 LEU A 61 6.012 5.956 1.641 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.284 6.735 3.066 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.935 4.420 4.952 1.00 0.00 H new ATOM 0 HD22 LEU A 61 4.312 5.149 4.937 1.00 0.00 H new ATOM 0 HD23 LEU A 61 4.503 3.398 4.684 1.00 0.00 H new ATOM 964 N THR A 62 4.010 6.741 0.406 1.00 0.00 N ATOM 965 CA THR A 62 4.079 8.074 -0.210 1.00 0.00 C ATOM 966 C THR A 62 2.861 8.970 0.157 1.00 0.00 C ATOM 967 O THR A 62 2.826 10.162 -0.178 1.00 0.00 O ATOM 968 CB THR A 62 4.322 7.969 -1.750 1.00 0.00 C ATOM 969 OG1 THR A 62 5.478 7.146 -1.978 1.00 0.00 O ATOM 970 CG2 THR A 62 4.593 9.311 -2.388 1.00 0.00 C ATOM 0 H THR A 62 4.566 6.685 1.259 1.00 0.00 H new ATOM 0 HA THR A 62 4.944 8.585 0.214 1.00 0.00 H new ATOM 0 HB THR A 62 3.418 7.551 -2.192 1.00 0.00 H new ATOM 0 HG1 THR A 62 5.636 6.579 -1.194 1.00 0.00 H new ATOM 0 HG21 THR A 62 4.755 9.179 -3.458 1.00 0.00 H new ATOM 0 HG22 THR A 62 3.739 9.969 -2.228 1.00 0.00 H new ATOM 0 HG23 THR A 62 5.482 9.755 -1.939 1.00 0.00 H new ATOM 978 N ASP A 63 1.908 8.401 0.897 1.00 0.00 N ATOM 979 CA ASP A 63 0.744 9.135 1.408 1.00 0.00 C ATOM 980 C ASP A 63 -0.145 8.121 2.109 1.00 0.00 C ATOM 981 O ASP A 63 0.305 7.014 2.441 1.00 0.00 O ATOM 982 CB ASP A 63 -0.082 9.792 0.268 1.00 0.00 C ATOM 983 CG ASP A 63 -0.910 10.963 0.748 1.00 0.00 C ATOM 984 OD1 ASP A 63 -0.385 12.099 0.798 1.00 0.00 O ATOM 985 OD2 ASP A 63 -2.065 10.764 1.085 1.00 0.00 O ATOM 0 H ASP A 63 1.920 7.416 1.161 1.00 0.00 H new ATOM 0 HA ASP A 63 1.089 9.929 2.070 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.594 10.128 -0.518 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.740 9.045 -0.176 1.00 0.00 H new ATOM 990 N GLY A 64 -1.372 8.493 2.324 1.00 0.00 N ATOM 991 CA GLY A 64 -2.350 7.649 2.907 1.00 0.00 C ATOM 992 C GLY A 64 -3.612 8.372 3.157 1.00 0.00 C ATOM 993 O GLY A 64 -4.561 7.781 3.615 1.00 0.00 O ATOM 0 H GLY A 64 -1.722 9.422 2.088 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -2.540 6.802 2.248 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -1.970 7.244 3.845 1.00 0.00 H new ATOM 997 N ALA A 65 -3.625 9.648 2.881 1.00 0.00 N ATOM 998 CA ALA A 65 -4.810 10.432 2.992 1.00 0.00 C ATOM 999 C ALA A 65 -5.522 10.368 1.667 1.00 0.00 C ATOM 1000 O ALA A 65 -6.722 10.632 1.570 1.00 0.00 O ATOM 1001 CB ALA A 65 -4.475 11.863 3.359 1.00 0.00 C ATOM 0 H ALA A 65 -2.805 10.170 2.571 1.00 0.00 H new ATOM 0 HA ALA A 65 -5.451 10.043 3.783 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -5.394 12.443 3.438 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.951 11.880 4.315 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.838 12.297 2.588 1.00 0.00 H new ATOM 1007 N LYS A 66 -4.767 10.013 0.630 1.00 0.00 N ATOM 1008 CA LYS A 66 -5.347 9.793 -0.663 1.00 0.00 C ATOM 1009 C LYS A 66 -5.726 8.323 -0.720 1.00 0.00 C ATOM 1010 O LYS A 66 -5.198 7.517 0.067 1.00 0.00 O ATOM 1011 CB LYS A 66 -4.368 10.221 -1.782 1.00 0.00 C ATOM 1012 CG LYS A 66 -3.073 9.442 -1.813 1.00 0.00 C ATOM 1013 CD LYS A 66 -1.928 10.100 -2.639 1.00 0.00 C ATOM 1014 CE LYS A 66 -2.212 10.349 -4.127 1.00 0.00 C ATOM 1015 NZ LYS A 66 -3.117 11.496 -4.373 1.00 0.00 N ATOM 0 H LYS A 66 -3.757 9.876 0.674 1.00 0.00 H new ATOM 0 HA LYS A 66 -6.238 10.401 -0.822 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -4.866 10.111 -2.745 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -4.138 11.280 -1.661 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -2.727 9.301 -0.789 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.272 8.451 -2.222 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -1.678 11.054 -2.175 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -1.044 9.467 -2.562 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -1.269 10.524 -4.644 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -2.652 9.450 -4.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -2.933 11.887 -5.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -4.105 11.177 -4.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -2.949 12.231 -3.657 1.00 0.00 H new ATOM 1029 N SER A 67 -6.604 7.959 -1.601 1.00 0.00 N ATOM 1030 CA SER A 67 -7.132 6.640 -1.589 1.00 0.00 C ATOM 1031 C SER A 67 -6.237 5.671 -2.277 1.00 0.00 C ATOM 1032 O SER A 67 -5.294 6.053 -2.967 1.00 0.00 O ATOM 1033 CB SER A 67 -8.497 6.633 -2.231 1.00 0.00 C ATOM 1034 OG SER A 67 -8.451 7.202 -3.530 1.00 0.00 O ATOM 0 H SER A 67 -6.969 8.562 -2.338 1.00 0.00 H new ATOM 0 HA SER A 67 -7.211 6.324 -0.549 1.00 0.00 H new ATOM 0 HB2 SER A 67 -8.869 5.610 -2.291 1.00 0.00 H new ATOM 0 HB3 SER A 67 -9.198 7.191 -1.610 1.00 0.00 H new ATOM 0 HG SER A 67 -9.347 7.185 -3.927 1.00 0.00 H new ATOM 1040 N LEU A 68 -6.554 4.421 -2.114 1.00 0.00 N ATOM 1041 CA LEU A 68 -5.829 3.340 -2.747 1.00 0.00 C ATOM 1042 C LEU A 68 -6.000 3.426 -4.253 1.00 0.00 C ATOM 1043 O LEU A 68 -5.103 3.091 -5.019 1.00 0.00 O ATOM 1044 CB LEU A 68 -6.352 1.994 -2.245 1.00 0.00 C ATOM 1045 CG LEU A 68 -6.204 1.712 -0.745 1.00 0.00 C ATOM 1046 CD1 LEU A 68 -6.772 0.350 -0.403 1.00 0.00 C ATOM 1047 CD2 LEU A 68 -4.744 1.802 -0.313 1.00 0.00 C ATOM 0 H LEU A 68 -7.332 4.111 -1.532 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.772 3.425 -2.497 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.409 1.923 -2.502 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.837 1.204 -2.792 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.766 2.472 -0.202 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -6.659 0.166 0.665 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -7.829 0.320 -0.666 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -6.237 -0.418 -0.962 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -4.667 1.598 0.755 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.155 1.070 -0.866 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.365 2.803 -0.519 1.00 0.00 H new ATOM 1059 N LYS A 69 -7.140 3.939 -4.656 1.00 0.00 N ATOM 1060 CA LYS A 69 -7.489 4.059 -6.060 1.00 0.00 C ATOM 1061 C LYS A 69 -6.598 5.135 -6.646 1.00 0.00 C ATOM 1062 O LYS A 69 -6.004 4.972 -7.702 1.00 0.00 O ATOM 1063 CB LYS A 69 -8.986 4.466 -6.175 1.00 0.00 C ATOM 1064 CG LYS A 69 -9.660 4.252 -7.553 1.00 0.00 C ATOM 1065 CD LYS A 69 -9.087 5.115 -8.669 1.00 0.00 C ATOM 1066 CE LYS A 69 -9.749 4.788 -9.997 1.00 0.00 C ATOM 1067 NZ LYS A 69 -9.204 5.594 -11.106 1.00 0.00 N ATOM 0 H LYS A 69 -7.857 4.287 -4.019 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.348 3.120 -6.595 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.550 3.905 -5.430 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.073 5.521 -5.913 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -9.563 3.203 -7.834 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -10.726 4.459 -7.460 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -9.236 6.169 -8.433 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -8.012 4.954 -8.744 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -9.612 3.730 -10.218 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.822 4.961 -9.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -9.685 5.337 -11.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -9.357 6.604 -10.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -8.185 5.411 -11.200 1.00 0.00 H new ATOM 1081 N ASP A 70 -6.483 6.202 -5.894 1.00 0.00 N ATOM 1082 CA ASP A 70 -5.714 7.383 -6.253 1.00 0.00 C ATOM 1083 C ASP A 70 -4.212 7.075 -6.192 1.00 0.00 C ATOM 1084 O ASP A 70 -3.415 7.611 -6.955 1.00 0.00 O ATOM 1085 CB ASP A 70 -6.082 8.463 -5.257 1.00 0.00 C ATOM 1086 CG ASP A 70 -5.542 9.825 -5.561 1.00 0.00 C ATOM 1087 OD1 ASP A 70 -5.123 10.089 -6.689 1.00 0.00 O ATOM 1088 OD2 ASP A 70 -5.551 10.669 -4.654 1.00 0.00 O ATOM 0 H ASP A 70 -6.935 6.281 -4.983 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.937 7.706 -7.270 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -7.169 8.526 -5.199 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -5.727 8.161 -4.271 1.00 0.00 H new ATOM 1093 N LEU A 71 -3.849 6.187 -5.293 1.00 0.00 N ATOM 1094 CA LEU A 71 -2.460 5.724 -5.132 1.00 0.00 C ATOM 1095 C LEU A 71 -2.038 4.779 -6.254 1.00 0.00 C ATOM 1096 O LEU A 71 -0.857 4.468 -6.392 1.00 0.00 O ATOM 1097 CB LEU A 71 -2.271 5.009 -3.785 1.00 0.00 C ATOM 1098 CG LEU A 71 -2.241 5.866 -2.518 1.00 0.00 C ATOM 1099 CD1 LEU A 71 -2.285 4.973 -1.308 1.00 0.00 C ATOM 1100 CD2 LEU A 71 -0.968 6.692 -2.484 1.00 0.00 C ATOM 0 H LEU A 71 -4.503 5.754 -4.641 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.832 6.614 -5.169 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.075 4.281 -3.677 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.337 4.449 -3.832 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.104 6.532 -2.516 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.264 5.583 -0.405 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.201 4.382 -1.325 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.423 4.306 -1.316 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.953 7.300 -1.579 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.103 6.028 -2.490 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.932 7.342 -3.358 1.00 0.00 H new ATOM 1112 N GLY A 72 -2.987 4.319 -7.034 1.00 0.00 N ATOM 1113 CA GLY A 72 -2.672 3.421 -8.123 1.00 0.00 C ATOM 1114 C GLY A 72 -2.572 1.991 -7.663 1.00 0.00 C ATOM 1115 O GLY A 72 -1.950 1.155 -8.316 1.00 0.00 O ATOM 0 H GLY A 72 -3.976 4.548 -6.938 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.439 3.501 -8.893 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -1.729 3.722 -8.580 1.00 0.00 H new ATOM 1119 N VAL A 73 -3.177 1.711 -6.538 1.00 0.00 N ATOM 1120 CA VAL A 73 -3.201 0.382 -6.000 1.00 0.00 C ATOM 1121 C VAL A 73 -4.276 -0.378 -6.743 1.00 0.00 C ATOM 1122 O VAL A 73 -5.378 0.122 -6.916 1.00 0.00 O ATOM 1123 CB VAL A 73 -3.552 0.394 -4.485 1.00 0.00 C ATOM 1124 CG1 VAL A 73 -3.509 -1.005 -3.899 1.00 0.00 C ATOM 1125 CG2 VAL A 73 -2.630 1.324 -3.713 1.00 0.00 C ATOM 0 H VAL A 73 -3.667 2.402 -5.970 1.00 0.00 H new ATOM 0 HA VAL A 73 -2.220 -0.078 -6.115 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.571 0.770 -4.390 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -3.759 -0.963 -2.839 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.229 -1.639 -4.417 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.508 -1.419 -4.020 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -2.901 1.311 -2.657 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -1.598 0.991 -3.827 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -2.729 2.338 -4.100 1.00 0.00 H new ATOM 1135 N ARG A 74 -3.959 -1.548 -7.209 1.00 0.00 N ATOM 1136 CA ARG A 74 -4.918 -2.348 -7.928 1.00 0.00 C ATOM 1137 C ARG A 74 -5.028 -3.692 -7.265 1.00 0.00 C ATOM 1138 O ARG A 74 -4.299 -3.980 -6.318 1.00 0.00 O ATOM 1139 CB ARG A 74 -4.510 -2.520 -9.392 1.00 0.00 C ATOM 1140 CG ARG A 74 -4.398 -1.227 -10.196 1.00 0.00 C ATOM 1141 CD ARG A 74 -5.732 -0.504 -10.282 1.00 0.00 C ATOM 1142 NE ARG A 74 -6.770 -1.336 -10.912 1.00 0.00 N ATOM 1143 CZ ARG A 74 -7.984 -0.908 -11.261 1.00 0.00 C ATOM 1144 NH1 ARG A 74 -8.308 0.378 -11.127 1.00 0.00 N ATOM 1145 NH2 ARG A 74 -8.866 -1.759 -11.765 1.00 0.00 N ATOM 0 H ARG A 74 -3.039 -1.977 -7.106 1.00 0.00 H new ATOM 0 HA ARG A 74 -5.883 -1.841 -7.909 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -3.549 -3.034 -9.426 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -5.236 -3.170 -9.880 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -3.658 -0.573 -9.734 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -4.040 -1.452 -11.201 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -6.055 -0.218 -9.281 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -5.609 0.417 -10.853 1.00 0.00 H new ATOM 0 HE ARG A 74 -6.544 -2.314 -11.095 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -7.626 1.040 -10.756 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -9.238 0.700 -11.395 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -8.616 -2.741 -11.886 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -9.795 -1.432 -12.032 1.00 0.00 H new ATOM 1159 N ASP A 75 -5.907 -4.513 -7.762 1.00 0.00 N ATOM 1160 CA ASP A 75 -6.119 -5.831 -7.201 1.00 0.00 C ATOM 1161 C ASP A 75 -5.007 -6.758 -7.570 1.00 0.00 C ATOM 1162 O ASP A 75 -4.441 -6.682 -8.658 1.00 0.00 O ATOM 1163 CB ASP A 75 -7.458 -6.416 -7.627 1.00 0.00 C ATOM 1164 CG ASP A 75 -7.632 -6.465 -9.129 1.00 0.00 C ATOM 1165 OD1 ASP A 75 -7.893 -5.418 -9.726 1.00 0.00 O ATOM 1166 OD2 ASP A 75 -7.484 -7.549 -9.735 1.00 0.00 O ATOM 0 H ASP A 75 -6.499 -4.296 -8.564 1.00 0.00 H new ATOM 0 HA ASP A 75 -6.132 -5.719 -6.117 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -7.553 -7.424 -7.223 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -8.262 -5.822 -7.193 1.00 0.00 H new ATOM 1171 N GLY A 76 -4.687 -7.607 -6.653 1.00 0.00 N ATOM 1172 CA GLY A 76 -3.620 -8.561 -6.840 1.00 0.00 C ATOM 1173 C GLY A 76 -2.244 -7.976 -6.543 1.00 0.00 C ATOM 1174 O GLY A 76 -1.218 -8.613 -6.803 1.00 0.00 O ATOM 0 H GLY A 76 -5.152 -7.668 -5.747 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -3.791 -9.421 -6.193 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -3.641 -8.925 -7.867 1.00 0.00 H new ATOM 1178 N TYR A 77 -2.220 -6.771 -6.018 1.00 0.00 N ATOM 1179 CA TYR A 77 -0.976 -6.108 -5.663 1.00 0.00 C ATOM 1180 C TYR A 77 -0.618 -6.422 -4.225 1.00 0.00 C ATOM 1181 O TYR A 77 -1.506 -6.647 -3.387 1.00 0.00 O ATOM 1182 CB TYR A 77 -1.053 -4.590 -5.946 1.00 0.00 C ATOM 1183 CG TYR A 77 -1.064 -4.233 -7.450 1.00 0.00 C ATOM 1184 CD1 TYR A 77 -1.857 -4.925 -8.357 1.00 0.00 C ATOM 1185 CD2 TYR A 77 -0.261 -3.217 -7.949 1.00 0.00 C ATOM 1186 CE1 TYR A 77 -1.857 -4.619 -9.702 1.00 0.00 C ATOM 1187 CE2 TYR A 77 -0.253 -2.902 -9.301 1.00 0.00 C ATOM 1188 CZ TYR A 77 -1.056 -3.609 -10.170 1.00 0.00 C ATOM 1189 OH TYR A 77 -1.054 -3.307 -11.523 1.00 0.00 O ATOM 0 H TYR A 77 -3.057 -6.221 -5.824 1.00 0.00 H new ATOM 0 HA TYR A 77 -0.171 -6.491 -6.291 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -1.953 -4.189 -5.481 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -0.203 -4.098 -5.472 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -2.490 -5.724 -8.000 1.00 0.00 H new ATOM 0 HD2 TYR A 77 0.370 -2.660 -7.272 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -2.485 -5.173 -10.384 1.00 0.00 H new ATOM 0 HE2 TYR A 77 0.379 -2.108 -9.670 1.00 0.00 H new ATOM 0 HH TYR A 77 -0.434 -2.567 -11.692 1.00 0.00 H new ATOM 1199 N ARG A 78 0.658 -6.452 -3.940 1.00 0.00 N ATOM 1200 CA ARG A 78 1.134 -6.884 -2.647 1.00 0.00 C ATOM 1201 C ARG A 78 1.591 -5.688 -1.843 1.00 0.00 C ATOM 1202 O ARG A 78 2.481 -4.938 -2.270 1.00 0.00 O ATOM 1203 CB ARG A 78 2.313 -7.859 -2.807 1.00 0.00 C ATOM 1204 CG ARG A 78 2.065 -8.991 -3.798 1.00 0.00 C ATOM 1205 CD ARG A 78 3.238 -9.964 -3.856 1.00 0.00 C ATOM 1206 NE ARG A 78 4.530 -9.276 -4.053 1.00 0.00 N ATOM 1207 CZ ARG A 78 5.429 -9.546 -5.015 1.00 0.00 C ATOM 1208 NH1 ARG A 78 5.162 -10.434 -5.964 1.00 0.00 N ATOM 1209 NH2 ARG A 78 6.602 -8.924 -5.015 1.00 0.00 N ATOM 0 H ARG A 78 1.394 -6.180 -4.591 1.00 0.00 H new ATOM 0 HA ARG A 78 0.317 -7.388 -2.130 1.00 0.00 H new ATOM 0 HB2 ARG A 78 3.191 -7.298 -3.127 1.00 0.00 H new ATOM 0 HB3 ARG A 78 2.547 -8.290 -1.833 1.00 0.00 H new ATOM 0 HG2 ARG A 78 1.161 -9.529 -3.515 1.00 0.00 H new ATOM 0 HG3 ARG A 78 1.890 -8.574 -4.790 1.00 0.00 H new ATOM 0 HD2 ARG A 78 3.274 -10.541 -2.932 1.00 0.00 H new ATOM 0 HD3 ARG A 78 3.079 -10.673 -4.669 1.00 0.00 H new ATOM 0 HE ARG A 78 4.761 -8.528 -3.399 1.00 0.00 H new ATOM 0 HH11 ARG A 78 4.266 -10.921 -5.969 1.00 0.00 H new ATOM 0 HH12 ARG A 78 5.853 -10.630 -6.688 1.00 0.00 H new ATOM 0 HH21 ARG A 78 6.819 -8.244 -4.286 1.00 0.00 H new ATOM 0 HH22 ARG A 78 7.287 -9.126 -5.743 1.00 0.00 H new ATOM 1223 N ILE A 79 0.997 -5.512 -0.704 1.00 0.00 N ATOM 1224 CA ILE A 79 1.348 -4.442 0.180 1.00 0.00 C ATOM 1225 C ILE A 79 2.140 -4.995 1.339 1.00 0.00 C ATOM 1226 O ILE A 79 1.636 -5.775 2.149 1.00 0.00 O ATOM 1227 CB ILE A 79 0.107 -3.653 0.674 1.00 0.00 C ATOM 1228 CG1 ILE A 79 -0.573 -2.954 -0.517 1.00 0.00 C ATOM 1229 CG2 ILE A 79 0.477 -2.648 1.759 1.00 0.00 C ATOM 1230 CD1 ILE A 79 -1.748 -2.088 -0.137 1.00 0.00 C ATOM 0 H ILE A 79 0.248 -6.112 -0.358 1.00 0.00 H new ATOM 0 HA ILE A 79 1.960 -3.729 -0.372 1.00 0.00 H new ATOM 0 HB ILE A 79 -0.595 -4.359 1.118 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.165 -2.340 -1.033 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -0.908 -3.712 -1.225 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -0.417 -2.114 2.081 1.00 0.00 H new ATOM 0 HG22 ILE A 79 0.911 -3.174 2.609 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.202 -1.936 1.364 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -2.169 -1.633 -1.033 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -2.507 -2.699 0.351 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.418 -1.306 0.546 1.00 0.00 H new ATOM 1242 N HIS A 80 3.367 -4.600 1.402 1.00 0.00 N ATOM 1243 CA HIS A 80 4.293 -5.086 2.377 1.00 0.00 C ATOM 1244 C HIS A 80 4.649 -4.020 3.398 1.00 0.00 C ATOM 1245 O HIS A 80 5.193 -3.000 3.053 1.00 0.00 O ATOM 1246 CB HIS A 80 5.554 -5.595 1.657 1.00 0.00 C ATOM 1247 CG HIS A 80 6.690 -5.919 2.561 1.00 0.00 C ATOM 1248 ND1 HIS A 80 6.812 -7.110 3.238 1.00 0.00 N ATOM 1249 CD2 HIS A 80 7.753 -5.164 2.919 1.00 0.00 C ATOM 1250 CE1 HIS A 80 7.889 -7.074 3.981 1.00 0.00 C ATOM 1251 NE2 HIS A 80 8.487 -5.910 3.808 1.00 0.00 N ATOM 0 H HIS A 80 3.767 -3.913 0.762 1.00 0.00 H new ATOM 0 HA HIS A 80 3.826 -5.904 2.926 1.00 0.00 H new ATOM 0 HB2 HIS A 80 5.296 -6.486 1.084 1.00 0.00 H new ATOM 0 HB3 HIS A 80 5.879 -4.839 0.942 1.00 0.00 H new ATOM 0 HD2 HIS A 80 7.981 -4.167 2.573 1.00 0.00 H new ATOM 0 HE1 HIS A 80 8.232 -7.867 4.629 1.00 0.00 H new ATOM 0 HE2 HIS A 80 9.352 -5.614 4.260 1.00 0.00 H new ATOM 1260 N ALA A 81 4.367 -4.287 4.632 1.00 0.00 N ATOM 1261 CA ALA A 81 4.731 -3.385 5.696 1.00 0.00 C ATOM 1262 C ALA A 81 6.022 -3.857 6.337 1.00 0.00 C ATOM 1263 O ALA A 81 6.277 -5.056 6.416 1.00 0.00 O ATOM 1264 CB ALA A 81 3.620 -3.306 6.720 1.00 0.00 C ATOM 0 H ALA A 81 3.881 -5.130 4.938 1.00 0.00 H new ATOM 0 HA ALA A 81 4.884 -2.386 5.288 1.00 0.00 H new ATOM 0 HB1 ALA A 81 3.908 -2.621 7.518 1.00 0.00 H new ATOM 0 HB2 ALA A 81 2.710 -2.944 6.242 1.00 0.00 H new ATOM 0 HB3 ALA A 81 3.440 -4.296 7.139 1.00 0.00 H new ATOM 1270 N VAL A 82 6.843 -2.940 6.742 1.00 0.00 N ATOM 1271 CA VAL A 82 8.076 -3.267 7.377 1.00 0.00 C ATOM 1272 C VAL A 82 8.363 -2.305 8.527 1.00 0.00 C ATOM 1273 O VAL A 82 8.102 -1.101 8.427 1.00 0.00 O ATOM 1274 CB VAL A 82 9.256 -3.269 6.358 1.00 0.00 C ATOM 1275 CG1 VAL A 82 9.474 -1.906 5.732 1.00 0.00 C ATOM 1276 CG2 VAL A 82 10.533 -3.764 6.990 1.00 0.00 C ATOM 0 H VAL A 82 6.674 -1.939 6.640 1.00 0.00 H new ATOM 0 HA VAL A 82 7.983 -4.274 7.783 1.00 0.00 H new ATOM 0 HB VAL A 82 8.974 -3.959 5.563 1.00 0.00 H new ATOM 0 HG11 VAL A 82 10.306 -1.957 5.030 1.00 0.00 H new ATOM 0 HG12 VAL A 82 8.571 -1.600 5.204 1.00 0.00 H new ATOM 0 HG13 VAL A 82 9.702 -1.180 6.512 1.00 0.00 H new ATOM 0 HG21 VAL A 82 11.334 -3.752 6.250 1.00 0.00 H new ATOM 0 HG22 VAL A 82 10.800 -3.117 7.825 1.00 0.00 H new ATOM 0 HG23 VAL A 82 10.389 -4.782 7.352 1.00 0.00 H new ATOM 1286 N ASP A 83 8.841 -2.849 9.615 1.00 0.00 N ATOM 1287 CA ASP A 83 9.253 -2.056 10.752 1.00 0.00 C ATOM 1288 C ASP A 83 10.670 -1.562 10.568 1.00 0.00 C ATOM 1289 O ASP A 83 11.622 -2.354 10.407 1.00 0.00 O ATOM 1290 CB ASP A 83 9.122 -2.822 12.060 1.00 0.00 C ATOM 1291 CG ASP A 83 9.723 -2.061 13.223 1.00 0.00 C ATOM 1292 OD1 ASP A 83 9.192 -1.000 13.600 1.00 0.00 O ATOM 1293 OD2 ASP A 83 10.742 -2.532 13.778 1.00 0.00 O ATOM 0 H ASP A 83 8.957 -3.854 9.742 1.00 0.00 H new ATOM 0 HA ASP A 83 8.583 -1.198 10.809 1.00 0.00 H new ATOM 0 HB2 ASP A 83 8.069 -3.020 12.261 1.00 0.00 H new ATOM 0 HB3 ASP A 83 9.616 -3.789 11.965 1.00 0.00 H new ATOM 1298 N VAL A 84 10.809 -0.272 10.588 1.00 0.00 N ATOM 1299 CA VAL A 84 12.078 0.380 10.368 1.00 0.00 C ATOM 1300 C VAL A 84 12.936 0.351 11.636 1.00 0.00 C ATOM 1301 O VAL A 84 14.168 0.333 11.560 1.00 0.00 O ATOM 1302 CB VAL A 84 11.859 1.842 9.909 1.00 0.00 C ATOM 1303 CG1 VAL A 84 13.174 2.542 9.592 1.00 0.00 C ATOM 1304 CG2 VAL A 84 10.936 1.880 8.710 1.00 0.00 C ATOM 0 H VAL A 84 10.038 0.373 10.759 1.00 0.00 H new ATOM 0 HA VAL A 84 12.606 -0.163 9.584 1.00 0.00 H new ATOM 0 HB VAL A 84 11.395 2.382 10.735 1.00 0.00 H new ATOM 0 HG11 VAL A 84 12.974 3.565 9.274 1.00 0.00 H new ATOM 0 HG12 VAL A 84 13.803 2.555 10.482 1.00 0.00 H new ATOM 0 HG13 VAL A 84 13.687 2.007 8.793 1.00 0.00 H new ATOM 0 HG21 VAL A 84 10.789 2.914 8.396 1.00 0.00 H new ATOM 0 HG22 VAL A 84 11.379 1.312 7.892 1.00 0.00 H new ATOM 0 HG23 VAL A 84 9.974 1.442 8.977 1.00 0.00 H new ATOM 1314 N THR A 85 12.287 0.290 12.788 1.00 0.00 N ATOM 1315 CA THR A 85 12.984 0.326 14.060 1.00 0.00 C ATOM 1316 C THR A 85 13.875 -0.921 14.254 1.00 0.00 C ATOM 1317 O THR A 85 14.956 -0.844 14.854 1.00 0.00 O ATOM 1318 CB THR A 85 11.971 0.466 15.213 1.00 0.00 C ATOM 1319 OG1 THR A 85 11.173 1.639 14.973 1.00 0.00 O ATOM 1320 CG2 THR A 85 12.678 0.614 16.556 1.00 0.00 C ATOM 0 H THR A 85 11.273 0.215 12.866 1.00 0.00 H new ATOM 0 HA THR A 85 13.642 1.195 14.064 1.00 0.00 H new ATOM 0 HB THR A 85 11.353 -0.431 15.250 1.00 0.00 H new ATOM 0 HG1 THR A 85 10.520 1.744 15.696 1.00 0.00 H new ATOM 0 HG21 THR A 85 11.936 0.711 17.349 1.00 0.00 H new ATOM 0 HG22 THR A 85 13.295 -0.265 16.741 1.00 0.00 H new ATOM 0 HG23 THR A 85 13.309 1.503 16.539 1.00 0.00 H new ATOM 1328 N GLY A 86 13.447 -2.034 13.702 1.00 0.00 N ATOM 1329 CA GLY A 86 14.226 -3.248 13.784 1.00 0.00 C ATOM 1330 C GLY A 86 15.239 -3.371 12.660 1.00 0.00 C ATOM 1331 O GLY A 86 15.872 -4.416 12.501 1.00 0.00 O ATOM 0 H GLY A 86 12.567 -2.124 13.193 1.00 0.00 H new ATOM 0 HA2 GLY A 86 14.746 -3.277 14.741 1.00 0.00 H new ATOM 0 HA3 GLY A 86 13.556 -4.107 13.759 1.00 0.00 H new ATOM 1335 N GLY A 87 15.379 -2.300 11.870 1.00 0.00 N ATOM 1336 CA GLY A 87 16.336 -2.272 10.767 1.00 0.00 C ATOM 1337 C GLY A 87 16.081 -3.360 9.751 1.00 0.00 C ATOM 1338 O GLY A 87 17.011 -3.946 9.212 1.00 0.00 O ATOM 0 H GLY A 87 14.839 -1.442 11.978 1.00 0.00 H new ATOM 0 HA2 GLY A 87 16.289 -1.301 10.274 1.00 0.00 H new ATOM 0 HA3 GLY A 87 17.346 -2.379 11.164 1.00 0.00 H new ATOM 1342 N ASN A 88 14.826 -3.624 9.483 1.00 0.00 N ATOM 1343 CA ASN A 88 14.471 -4.715 8.601 1.00 0.00 C ATOM 1344 C ASN A 88 14.549 -4.302 7.158 1.00 0.00 C ATOM 1345 O ASN A 88 14.033 -3.239 6.789 1.00 0.00 O ATOM 1346 CB ASN A 88 13.078 -5.267 8.911 1.00 0.00 C ATOM 1347 CG ASN A 88 12.935 -5.774 10.324 1.00 0.00 C ATOM 1348 OD1 ASN A 88 13.242 -6.928 10.615 1.00 0.00 O ATOM 1349 ND2 ASN A 88 12.433 -4.942 11.199 1.00 0.00 N ATOM 0 H ASN A 88 14.034 -3.103 9.860 1.00 0.00 H new ATOM 0 HA ASN A 88 15.199 -5.507 8.777 1.00 0.00 H new ATOM 0 HB2 ASN A 88 12.339 -4.485 8.737 1.00 0.00 H new ATOM 0 HB3 ASN A 88 12.854 -6.078 8.218 1.00 0.00 H new ATOM 0 HD21 ASN A 88 12.284 -5.243 12.162 1.00 0.00 H new ATOM 0 HD22 ASN A 88 12.191 -3.992 10.919 1.00 0.00 H new ATOM 1356 N GLU A 89 15.240 -5.140 6.363 1.00 0.00 N ATOM 1357 CA GLU A 89 15.423 -5.041 4.878 1.00 0.00 C ATOM 1358 C GLU A 89 16.114 -3.784 4.347 1.00 0.00 C ATOM 1359 O GLU A 89 16.866 -3.842 3.366 1.00 0.00 O ATOM 1360 CB GLU A 89 14.174 -5.464 4.059 1.00 0.00 C ATOM 1361 CG GLU A 89 12.898 -4.695 4.353 1.00 0.00 C ATOM 1362 CD GLU A 89 11.702 -5.267 3.650 1.00 0.00 C ATOM 1363 OE1 GLU A 89 11.074 -6.189 4.208 1.00 0.00 O ATOM 1364 OE2 GLU A 89 11.350 -4.814 2.542 1.00 0.00 O ATOM 0 H GLU A 89 15.718 -5.955 6.748 1.00 0.00 H new ATOM 0 HA GLU A 89 16.176 -5.807 4.695 1.00 0.00 H new ATOM 0 HB2 GLU A 89 14.405 -5.356 2.999 1.00 0.00 H new ATOM 0 HB3 GLU A 89 13.987 -6.523 4.238 1.00 0.00 H new ATOM 0 HG2 GLU A 89 12.717 -4.696 5.428 1.00 0.00 H new ATOM 0 HG3 GLU A 89 13.028 -3.655 4.053 1.00 0.00 H new ATOM 1371 N ASP A 90 15.885 -2.709 4.966 1.00 0.00 N ATOM 1372 CA ASP A 90 16.467 -1.456 4.580 1.00 0.00 C ATOM 1373 C ASP A 90 16.807 -0.673 5.824 1.00 0.00 C ATOM 1374 O ASP A 90 15.932 0.049 6.356 1.00 0.00 O ATOM 1375 CB ASP A 90 15.518 -0.670 3.673 1.00 0.00 C ATOM 1376 CG ASP A 90 16.123 0.619 3.166 1.00 0.00 C ATOM 1377 OD1 ASP A 90 15.969 1.659 3.818 1.00 0.00 O ATOM 1378 OD2 ASP A 90 16.735 0.617 2.083 1.00 0.00 O ATOM 0 H ASP A 90 15.274 -2.648 5.781 1.00 0.00 H new ATOM 0 HA ASP A 90 17.378 -1.637 4.010 1.00 0.00 H new ATOM 0 HB2 ASP A 90 15.237 -1.292 2.824 1.00 0.00 H new ATOM 0 HB3 ASP A 90 14.603 -0.445 4.221 1.00 0.00 H new TER 1383 ASP A 90