USER MOD reduce.3.24.130724 H: found=0, std=0, add=585, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 586 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 18 ASN : amide:sc= 0.109 K(o=-0.24,f=-2.3) USER MOD Set 1.2: A 20 LYS NZ :NH3+ -114:sc= -0.0751 (180deg=-2.22!) USER MOD Set 1.3: A 30 GLN : amide:sc= -0.277 X(o=-0.24,f=-0.16) USER MOD Single : A 16 HIS : no HD1:sc= -1.63 K(o=-1.6,f=-0.8) USER MOD Single : A 24 GLN : amide:sc= -1.18 K(o=-1.2,f=-0.59) USER MOD Single : A 27 SER OG : rot 40:sc= 0.509 USER MOD Single : A 32 LYS NZ :NH3+ -148:sc= 0.392 (180deg=0.0566) USER MOD Single : A 34 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.202) USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=-0.041) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= -0.359 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 146:sc= -0.916 (180deg=-3.9!) USER MOD Single : A 44 LYS NZ :NH3+ -171:sc= 0.745 (180deg=0.693) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot -98:sc= 0.326 USER MOD Single : A 50 GLN : amide:sc= -0.275 K(o=-0.28,f=-0.82) USER MOD Single : A 53 SER OG : rot 47:sc= 0.0318 USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc=-0.00332 X(o=-0.0033,f=0) USER MOD Single : A 64 GLN : amide:sc=-0.00332 X(o=-0.0033,f=0) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= -1.02 USER MOD Single : A 74 GLN : amide:sc= -2.78! C(o=-2.8!,f=-4.1!) USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.0354 USER MOD Single : A 87 GLN : amide:sc= -1.73 K(o=-1.7,f=-2.5!) USER MOD ----------------------------------------------------------------- ATOM 17 N ASP A 15 -17.860 -2.243 1.540 1.00 0.00 N ATOM 18 CA ASP A 15 -17.022 -1.111 1.139 1.00 0.00 C ATOM 19 C ASP A 15 -15.591 -1.260 1.659 1.00 0.00 C ATOM 20 O ASP A 15 -15.099 -0.413 2.406 1.00 0.00 O ATOM 21 CB ASP A 15 -17.631 0.200 1.642 1.00 0.00 C ATOM 22 CG ASP A 15 -18.573 0.828 0.634 1.00 0.00 C ATOM 23 OD1 ASP A 15 -19.729 0.367 0.536 1.00 0.00 O ATOM 24 OD2 ASP A 15 -18.154 1.780 -0.058 1.00 0.00 O ATOM 0 HA ASP A 15 -16.982 -1.095 0.050 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -18.170 0.013 2.571 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -16.831 0.903 1.874 1.00 0.00 H new ATOM 29 N HIS A 16 -14.923 -2.338 1.254 1.00 0.00 N ATOM 30 CA HIS A 16 -13.549 -2.585 1.678 1.00 0.00 C ATOM 31 C HIS A 16 -12.827 -3.473 0.669 1.00 0.00 C ATOM 32 O HIS A 16 -13.100 -4.673 0.581 1.00 0.00 O ATOM 33 CB HIS A 16 -13.522 -3.234 3.067 1.00 0.00 C ATOM 34 CG HIS A 16 -13.763 -2.272 4.195 1.00 0.00 C ATOM 35 ND1 HIS A 16 -14.936 -2.243 4.921 1.00 0.00 N ATOM 36 CD2 HIS A 16 -12.972 -1.308 4.727 1.00 0.00 C ATOM 37 CE1 HIS A 16 -14.856 -1.305 5.848 1.00 0.00 C ATOM 38 NE2 HIS A 16 -13.676 -0.723 5.751 1.00 0.00 N ATOM 0 H HIS A 16 -15.310 -3.051 0.635 1.00 0.00 H new ATOM 0 HA HIS A 16 -13.032 -1.627 1.731 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -14.277 -4.019 3.105 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -12.555 -3.715 3.213 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -11.974 -1.048 4.405 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -15.626 -1.057 6.564 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -13.341 0.038 6.341 1.00 0.00 H new ATOM 47 N ILE A 17 -11.905 -2.878 -0.088 1.00 0.00 N ATOM 48 CA ILE A 17 -11.141 -3.616 -1.092 1.00 0.00 C ATOM 49 C ILE A 17 -10.001 -4.397 -0.438 1.00 0.00 C ATOM 50 O ILE A 17 -9.213 -3.842 0.330 1.00 0.00 O ATOM 51 CB ILE A 17 -10.572 -2.686 -2.198 1.00 0.00 C ATOM 52 CG1 ILE A 17 -9.371 -1.887 -1.685 1.00 0.00 C ATOM 53 CG2 ILE A 17 -11.649 -1.740 -2.708 1.00 0.00 C ATOM 54 CD1 ILE A 17 -8.865 -0.849 -2.663 1.00 0.00 C ATOM 0 H ILE A 17 -11.670 -1.888 -0.025 1.00 0.00 H new ATOM 0 HA ILE A 17 -11.833 -4.313 -1.565 1.00 0.00 H new ATOM 0 HB ILE A 17 -10.237 -3.316 -3.022 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -9.647 -1.392 -0.754 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -8.561 -2.577 -1.451 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -11.231 -1.096 -3.482 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -12.474 -2.318 -3.123 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -12.014 -1.126 -1.884 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -8.014 -0.324 -2.229 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -8.556 -1.339 -3.586 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -9.660 -0.135 -2.879 1.00 0.00 H new ATOM 66 N ASN A 18 -9.931 -5.691 -0.738 1.00 0.00 N ATOM 67 CA ASN A 18 -8.898 -6.557 -0.175 1.00 0.00 C ATOM 68 C ASN A 18 -7.603 -6.470 -0.983 1.00 0.00 C ATOM 69 O ASN A 18 -7.582 -6.793 -2.172 1.00 0.00 O ATOM 70 CB ASN A 18 -9.393 -8.005 -0.133 1.00 0.00 C ATOM 71 CG ASN A 18 -8.793 -8.792 1.016 1.00 0.00 C ATOM 72 OD1 ASN A 18 -7.579 -8.989 1.081 1.00 0.00 O ATOM 73 ND2 ASN A 18 -9.642 -9.248 1.930 1.00 0.00 N ATOM 0 H ASN A 18 -10.578 -6.164 -1.369 1.00 0.00 H new ATOM 0 HA ASN A 18 -8.688 -6.218 0.839 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -10.479 -8.012 -0.045 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -9.146 -8.497 -1.074 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -9.296 -9.785 2.725 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -10.640 -9.061 1.837 1.00 0.00 H new ATOM 80 N LEU A 19 -6.523 -6.034 -0.330 1.00 0.00 N ATOM 81 CA LEU A 19 -5.224 -5.907 -0.990 1.00 0.00 C ATOM 82 C LEU A 19 -4.154 -6.737 -0.284 1.00 0.00 C ATOM 83 O LEU A 19 -4.074 -6.751 0.946 1.00 0.00 O ATOM 84 CB LEU A 19 -4.791 -4.438 -1.038 1.00 0.00 C ATOM 85 CG LEU A 19 -4.942 -3.764 -2.403 1.00 0.00 C ATOM 86 CD1 LEU A 19 -6.303 -3.095 -2.523 1.00 0.00 C ATOM 87 CD2 LEU A 19 -3.825 -2.754 -2.626 1.00 0.00 C ATOM 0 H LEU A 19 -6.523 -5.764 0.654 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.334 -6.285 -2.006 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.375 -3.879 -0.307 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.747 -4.372 -0.730 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.870 -4.531 -3.175 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.391 -2.621 -3.501 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.087 -3.843 -2.411 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.407 -2.340 -1.744 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.949 -2.284 -3.602 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.864 -1.991 -1.849 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.862 -3.262 -2.587 1.00 0.00 H new ATOM 99 N LYS A 20 -3.327 -7.419 -1.077 1.00 0.00 N ATOM 100 CA LYS A 20 -2.249 -8.246 -0.543 1.00 0.00 C ATOM 101 C LYS A 20 -0.911 -7.518 -0.663 1.00 0.00 C ATOM 102 O LYS A 20 -0.280 -7.531 -1.721 1.00 0.00 O ATOM 103 CB LYS A 20 -2.186 -9.586 -1.285 1.00 0.00 C ATOM 104 CG LYS A 20 -3.289 -10.557 -0.894 1.00 0.00 C ATOM 105 CD LYS A 20 -4.455 -10.503 -1.871 1.00 0.00 C ATOM 106 CE LYS A 20 -5.789 -10.670 -1.159 1.00 0.00 C ATOM 107 NZ LYS A 20 -6.859 -9.832 -1.771 1.00 0.00 N ATOM 0 H LYS A 20 -3.385 -7.413 -2.095 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.451 -8.438 0.511 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.242 -9.400 -2.357 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -1.220 -10.052 -1.093 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -2.888 -11.570 -0.861 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.643 -10.321 0.110 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -4.442 -9.551 -2.402 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.340 -11.287 -2.619 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -6.087 -11.718 -1.190 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -5.675 -10.402 -0.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -7.159 -9.102 -1.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -6.494 -9.376 -2.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -7.672 -10.432 -2.016 1.00 0.00 H new ATOM 121 N VAL A 21 -0.490 -6.877 0.427 1.00 0.00 N ATOM 122 CA VAL A 21 0.769 -6.136 0.445 1.00 0.00 C ATOM 123 C VAL A 21 1.947 -7.053 0.770 1.00 0.00 C ATOM 124 O VAL A 21 2.003 -7.648 1.848 1.00 0.00 O ATOM 125 CB VAL A 21 0.734 -4.979 1.467 1.00 0.00 C ATOM 126 CG1 VAL A 21 1.972 -4.103 1.330 1.00 0.00 C ATOM 127 CG2 VAL A 21 -0.533 -4.152 1.301 1.00 0.00 C ATOM 0 H VAL A 21 -1.003 -6.856 1.308 1.00 0.00 H new ATOM 0 HA VAL A 21 0.900 -5.721 -0.554 1.00 0.00 H new ATOM 0 HB VAL A 21 0.730 -5.409 2.469 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.928 -3.294 2.059 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.864 -4.703 1.508 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.012 -3.684 0.325 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.537 -3.342 2.031 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.565 -3.734 0.295 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.405 -4.787 1.458 1.00 0.00 H new ATOM 137 N ALA A 22 2.886 -7.158 -0.170 1.00 0.00 N ATOM 138 CA ALA A 22 4.066 -7.997 0.012 1.00 0.00 C ATOM 139 C ALA A 22 5.315 -7.150 0.238 1.00 0.00 C ATOM 140 O ALA A 22 5.759 -6.432 -0.658 1.00 0.00 O ATOM 141 CB ALA A 22 4.256 -8.909 -1.192 1.00 0.00 C ATOM 0 H ALA A 22 2.851 -6.671 -1.066 1.00 0.00 H new ATOM 0 HA ALA A 22 3.910 -8.611 0.899 1.00 0.00 H new ATOM 0 HB1 ALA A 22 5.140 -9.529 -1.043 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.380 -9.547 -1.307 1.00 0.00 H new ATOM 0 HB3 ALA A 22 4.384 -8.304 -2.090 1.00 0.00 H new ATOM 147 N GLY A 23 5.879 -7.241 1.441 1.00 0.00 N ATOM 148 CA GLY A 23 7.075 -6.480 1.764 1.00 0.00 C ATOM 149 C GLY A 23 8.338 -7.123 1.223 1.00 0.00 C ATOM 150 O GLY A 23 8.376 -8.331 0.986 1.00 0.00 O ATOM 0 H GLY A 23 5.529 -7.828 2.198 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.981 -5.473 1.358 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.157 -6.381 2.846 1.00 0.00 H new ATOM 154 N GLN A 24 9.377 -6.312 1.026 1.00 0.00 N ATOM 155 CA GLN A 24 10.651 -6.805 0.505 1.00 0.00 C ATOM 156 C GLN A 24 11.619 -7.184 1.632 1.00 0.00 C ATOM 157 O GLN A 24 12.839 -7.095 1.469 1.00 0.00 O ATOM 158 CB GLN A 24 11.289 -5.748 -0.401 1.00 0.00 C ATOM 159 CG GLN A 24 11.819 -6.307 -1.713 1.00 0.00 C ATOM 160 CD GLN A 24 10.764 -7.059 -2.508 1.00 0.00 C ATOM 161 OE1 GLN A 24 11.010 -8.163 -2.993 1.00 0.00 O ATOM 162 NE2 GLN A 24 9.581 -6.467 -2.650 1.00 0.00 N ATOM 0 H GLN A 24 9.361 -5.311 1.219 1.00 0.00 H new ATOM 0 HA GLN A 24 10.447 -7.707 -0.073 1.00 0.00 H new ATOM 0 HB2 GLN A 24 10.552 -4.975 -0.617 1.00 0.00 H new ATOM 0 HB3 GLN A 24 12.107 -5.268 0.136 1.00 0.00 H new ATOM 0 HG2 GLN A 24 12.208 -5.489 -2.319 1.00 0.00 H new ATOM 0 HG3 GLN A 24 12.655 -6.975 -1.506 1.00 0.00 H new ATOM 0 HE21 GLN A 24 9.416 -5.551 -2.233 1.00 0.00 H new ATOM 0 HE22 GLN A 24 8.839 -6.929 -3.176 1.00 0.00 H new ATOM 171 N ASP A 25 11.073 -7.610 2.772 1.00 0.00 N ATOM 172 CA ASP A 25 11.890 -8.005 3.917 1.00 0.00 C ATOM 173 C ASP A 25 11.411 -9.336 4.509 1.00 0.00 C ATOM 174 O ASP A 25 11.617 -9.606 5.694 1.00 0.00 O ATOM 175 CB ASP A 25 11.859 -6.906 4.988 1.00 0.00 C ATOM 176 CG ASP A 25 10.450 -6.550 5.426 1.00 0.00 C ATOM 177 OD1 ASP A 25 9.805 -5.726 4.742 1.00 0.00 O ATOM 178 OD2 ASP A 25 9.991 -7.093 6.454 1.00 0.00 O ATOM 0 H ASP A 25 10.068 -7.690 2.926 1.00 0.00 H new ATOM 0 HA ASP A 25 12.915 -8.141 3.572 1.00 0.00 H new ATOM 0 HB2 ASP A 25 12.432 -7.234 5.855 1.00 0.00 H new ATOM 0 HB3 ASP A 25 12.350 -6.014 4.600 1.00 0.00 H new ATOM 183 N GLY A 26 10.773 -10.167 3.677 1.00 0.00 N ATOM 184 CA GLY A 26 10.277 -11.453 4.141 1.00 0.00 C ATOM 185 C GLY A 26 9.129 -11.315 5.127 1.00 0.00 C ATOM 186 O GLY A 26 9.243 -11.737 6.279 1.00 0.00 O ATOM 0 H GLY A 26 10.593 -9.969 2.693 1.00 0.00 H new ATOM 0 HA2 GLY A 26 9.947 -12.041 3.285 1.00 0.00 H new ATOM 0 HA3 GLY A 26 11.091 -12.004 4.612 1.00 0.00 H new ATOM 190 N SER A 27 8.022 -10.720 4.675 1.00 0.00 N ATOM 191 CA SER A 27 6.851 -10.528 5.530 1.00 0.00 C ATOM 192 C SER A 27 5.597 -10.241 4.703 1.00 0.00 C ATOM 193 O SER A 27 5.499 -9.203 4.044 1.00 0.00 O ATOM 194 CB SER A 27 7.099 -9.388 6.524 1.00 0.00 C ATOM 195 OG SER A 27 7.588 -9.886 7.758 1.00 0.00 O ATOM 0 H SER A 27 7.913 -10.365 3.725 1.00 0.00 H new ATOM 0 HA SER A 27 6.686 -11.454 6.082 1.00 0.00 H new ATOM 0 HB2 SER A 27 7.816 -8.683 6.103 1.00 0.00 H new ATOM 0 HB3 SER A 27 6.172 -8.839 6.691 1.00 0.00 H new ATOM 0 HG SER A 27 8.224 -10.612 7.589 1.00 0.00 H new ATOM 201 N VAL A 28 4.639 -11.169 4.747 1.00 0.00 N ATOM 202 CA VAL A 28 3.385 -11.024 4.006 1.00 0.00 C ATOM 203 C VAL A 28 2.238 -10.614 4.933 1.00 0.00 C ATOM 204 O VAL A 28 2.028 -11.223 5.984 1.00 0.00 O ATOM 205 CB VAL A 28 3.011 -12.329 3.263 1.00 0.00 C ATOM 206 CG1 VAL A 28 2.772 -13.476 4.241 1.00 0.00 C ATOM 207 CG2 VAL A 28 1.792 -12.109 2.378 1.00 0.00 C ATOM 0 H VAL A 28 4.708 -12.030 5.289 1.00 0.00 H new ATOM 0 HA VAL A 28 3.542 -10.237 3.269 1.00 0.00 H new ATOM 0 HB VAL A 28 3.853 -12.607 2.628 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.511 -14.378 3.687 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.678 -13.655 4.820 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.956 -13.215 4.915 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.544 -13.037 1.863 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.947 -11.798 2.993 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.011 -11.334 1.643 1.00 0.00 H new ATOM 217 N VAL A 29 1.503 -9.572 4.535 1.00 0.00 N ATOM 218 CA VAL A 29 0.380 -9.070 5.329 1.00 0.00 C ATOM 219 C VAL A 29 -0.731 -8.508 4.435 1.00 0.00 C ATOM 220 O VAL A 29 -0.473 -8.050 3.320 1.00 0.00 O ATOM 221 CB VAL A 29 0.834 -7.963 6.310 1.00 0.00 C ATOM 222 CG1 VAL A 29 -0.279 -7.619 7.290 1.00 0.00 C ATOM 223 CG2 VAL A 29 2.093 -8.378 7.059 1.00 0.00 C ATOM 0 H VAL A 29 1.666 -9.060 3.668 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.005 -9.919 5.894 1.00 0.00 H new ATOM 0 HB VAL A 29 1.065 -7.073 5.724 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.063 -6.839 7.970 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.151 -7.265 6.740 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.547 -8.507 7.863 1.00 0.00 H new ATOM 0 HG21 VAL A 29 2.390 -7.581 7.741 1.00 0.00 H new ATOM 0 HG22 VAL A 29 1.896 -9.287 7.627 1.00 0.00 H new ATOM 0 HG23 VAL A 29 2.896 -8.563 6.346 1.00 0.00 H new ATOM 233 N GLN A 30 -1.965 -8.537 4.943 1.00 0.00 N ATOM 234 CA GLN A 30 -3.119 -8.025 4.206 1.00 0.00 C ATOM 235 C GLN A 30 -3.792 -6.888 4.977 1.00 0.00 C ATOM 236 O GLN A 30 -3.969 -6.973 6.194 1.00 0.00 O ATOM 237 CB GLN A 30 -4.129 -9.146 3.947 1.00 0.00 C ATOM 238 CG GLN A 30 -3.952 -9.823 2.597 1.00 0.00 C ATOM 239 CD GLN A 30 -4.368 -11.282 2.616 1.00 0.00 C ATOM 240 OE1 GLN A 30 -3.594 -12.154 3.007 1.00 0.00 O ATOM 241 NE2 GLN A 30 -5.597 -11.555 2.190 1.00 0.00 N ATOM 0 H GLN A 30 -2.190 -8.911 5.865 1.00 0.00 H new ATOM 0 HA GLN A 30 -2.766 -7.639 3.250 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -4.039 -9.894 4.734 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -5.137 -8.737 4.010 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -4.540 -9.291 1.848 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -2.908 -9.751 2.293 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -6.207 -10.801 1.874 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -5.931 -12.519 2.179 1.00 0.00 H new ATOM 250 N PHE A 31 -4.165 -5.827 4.259 1.00 0.00 N ATOM 251 CA PHE A 31 -4.819 -4.671 4.873 1.00 0.00 C ATOM 252 C PHE A 31 -6.174 -4.392 4.223 1.00 0.00 C ATOM 253 O PHE A 31 -6.401 -4.733 3.060 1.00 0.00 O ATOM 254 CB PHE A 31 -3.922 -3.433 4.762 1.00 0.00 C ATOM 255 CG PHE A 31 -3.001 -3.243 5.937 1.00 0.00 C ATOM 256 CD1 PHE A 31 -3.449 -2.628 7.097 1.00 0.00 C ATOM 257 CD2 PHE A 31 -1.685 -3.679 5.882 1.00 0.00 C ATOM 258 CE1 PHE A 31 -2.604 -2.453 8.177 1.00 0.00 C ATOM 259 CE2 PHE A 31 -0.836 -3.505 6.959 1.00 0.00 C ATOM 260 CZ PHE A 31 -1.296 -2.891 8.107 1.00 0.00 C ATOM 0 H PHE A 31 -4.025 -5.745 3.252 1.00 0.00 H new ATOM 0 HA PHE A 31 -4.986 -4.901 5.925 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -3.325 -3.509 3.853 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -4.551 -2.549 4.658 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -4.470 -2.282 7.157 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.319 -4.160 4.987 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -2.966 -1.974 9.075 1.00 0.00 H new ATOM 0 HE2 PHE A 31 0.186 -3.849 6.903 1.00 0.00 H new ATOM 0 HZ PHE A 31 -0.634 -2.753 8.949 1.00 0.00 H new ATOM 270 N LYS A 32 -7.070 -3.763 4.987 1.00 0.00 N ATOM 271 CA LYS A 32 -8.406 -3.427 4.499 1.00 0.00 C ATOM 272 C LYS A 32 -8.510 -1.933 4.191 1.00 0.00 C ATOM 273 O LYS A 32 -8.441 -1.098 5.095 1.00 0.00 O ATOM 274 CB LYS A 32 -9.459 -3.829 5.536 1.00 0.00 C ATOM 275 CG LYS A 32 -10.889 -3.768 5.019 1.00 0.00 C ATOM 276 CD LYS A 32 -11.501 -5.156 4.887 1.00 0.00 C ATOM 277 CE LYS A 32 -10.978 -5.883 3.656 1.00 0.00 C ATOM 278 NZ LYS A 32 -12.076 -6.496 2.855 1.00 0.00 N ATOM 0 H LYS A 32 -6.892 -3.476 5.949 1.00 0.00 H new ATOM 0 HA LYS A 32 -8.587 -3.979 3.577 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -9.250 -4.843 5.878 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.369 -3.175 6.403 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -11.495 -3.166 5.696 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -10.904 -3.270 4.050 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -11.275 -5.740 5.779 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -12.586 -5.072 4.827 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -10.422 -5.183 3.032 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -10.278 -6.660 3.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -11.731 -7.366 2.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -12.875 -6.725 3.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -12.389 -5.825 2.124 1.00 0.00 H new ATOM 292 N ILE A 33 -8.668 -1.606 2.909 1.00 0.00 N ATOM 293 CA ILE A 33 -8.772 -0.215 2.471 1.00 0.00 C ATOM 294 C ILE A 33 -10.056 0.023 1.671 1.00 0.00 C ATOM 295 O ILE A 33 -10.594 -0.899 1.060 1.00 0.00 O ATOM 296 CB ILE A 33 -7.542 0.185 1.617 1.00 0.00 C ATOM 297 CG1 ILE A 33 -7.586 1.670 1.244 1.00 0.00 C ATOM 298 CG2 ILE A 33 -7.445 -0.675 0.365 1.00 0.00 C ATOM 299 CD1 ILE A 33 -7.560 2.601 2.438 1.00 0.00 C ATOM 0 H ILE A 33 -8.727 -2.288 2.153 1.00 0.00 H new ATOM 0 HA ILE A 33 -8.802 0.407 3.366 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.652 0.013 2.222 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -6.738 1.898 0.599 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -8.489 1.863 0.664 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -6.574 -0.374 -0.217 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -7.347 -1.723 0.650 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -8.345 -0.545 -0.236 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -7.594 3.635 2.094 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -8.423 2.402 3.074 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -6.645 2.438 3.007 1.00 0.00 H new ATOM 311 N LYS A 34 -10.542 1.265 1.678 1.00 0.00 N ATOM 312 CA LYS A 34 -11.760 1.620 0.948 1.00 0.00 C ATOM 313 C LYS A 34 -11.421 2.248 -0.405 1.00 0.00 C ATOM 314 O LYS A 34 -10.352 2.838 -0.573 1.00 0.00 O ATOM 315 CB LYS A 34 -12.624 2.583 1.770 1.00 0.00 C ATOM 316 CG LYS A 34 -11.893 3.842 2.217 1.00 0.00 C ATOM 317 CD LYS A 34 -12.743 5.087 2.009 1.00 0.00 C ATOM 318 CE LYS A 34 -12.774 5.958 3.256 1.00 0.00 C ATOM 319 NZ LYS A 34 -13.577 7.197 3.053 1.00 0.00 N ATOM 0 H LYS A 34 -10.111 2.041 2.180 1.00 0.00 H new ATOM 0 HA LYS A 34 -12.324 0.704 0.775 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -13.493 2.870 1.178 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -12.997 2.059 2.650 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -11.627 3.754 3.270 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -10.961 3.940 1.660 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -12.348 5.663 1.172 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -13.759 4.795 1.743 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -13.191 5.388 4.086 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -11.755 6.228 3.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -13.309 7.905 3.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -13.395 7.577 2.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -14.588 6.975 3.150 1.00 0.00 H new ATOM 333 N ARG A 35 -12.339 2.119 -1.365 1.00 0.00 N ATOM 334 CA ARG A 35 -12.135 2.675 -2.705 1.00 0.00 C ATOM 335 C ARG A 35 -12.681 4.104 -2.806 1.00 0.00 C ATOM 336 O ARG A 35 -13.538 4.395 -3.644 1.00 0.00 O ATOM 337 CB ARG A 35 -12.791 1.775 -3.766 1.00 0.00 C ATOM 338 CG ARG A 35 -14.279 1.532 -3.546 1.00 0.00 C ATOM 339 CD ARG A 35 -15.107 2.004 -4.733 1.00 0.00 C ATOM 340 NE ARG A 35 -14.946 1.137 -5.904 1.00 0.00 N ATOM 341 CZ ARG A 35 -15.546 1.352 -7.077 1.00 0.00 C ATOM 342 NH1 ARG A 35 -16.344 2.401 -7.244 1.00 0.00 N ATOM 343 NH2 ARG A 35 -15.344 0.516 -8.091 1.00 0.00 N ATOM 0 H ARG A 35 -13.229 1.636 -1.241 1.00 0.00 H new ATOM 0 HA ARG A 35 -11.062 2.713 -2.890 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -12.649 2.227 -4.748 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -12.276 0.815 -3.780 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -14.454 0.469 -3.380 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -14.604 2.053 -2.645 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -16.159 2.036 -4.449 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -14.816 3.021 -4.994 1.00 0.00 H new ATOM 0 HE ARG A 35 -14.340 0.321 -5.817 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -16.502 3.049 -6.473 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -16.799 2.558 -8.144 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -14.730 -0.290 -7.973 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -15.803 0.681 -8.987 1.00 0.00 H new ATOM 357 N HIS A 36 -12.173 4.996 -1.952 1.00 0.00 N ATOM 358 CA HIS A 36 -12.606 6.395 -1.953 1.00 0.00 C ATOM 359 C HIS A 36 -11.633 7.287 -1.167 1.00 0.00 C ATOM 360 O HIS A 36 -12.044 8.276 -0.556 1.00 0.00 O ATOM 361 CB HIS A 36 -14.021 6.510 -1.368 1.00 0.00 C ATOM 362 CG HIS A 36 -14.951 7.348 -2.195 1.00 0.00 C ATOM 363 ND1 HIS A 36 -14.614 8.593 -2.684 1.00 0.00 N ATOM 364 CD2 HIS A 36 -16.218 7.113 -2.616 1.00 0.00 C ATOM 365 CE1 HIS A 36 -15.631 9.086 -3.368 1.00 0.00 C ATOM 366 NE2 HIS A 36 -16.616 8.208 -3.341 1.00 0.00 N ATOM 0 H HIS A 36 -11.464 4.775 -1.253 1.00 0.00 H new ATOM 0 HA HIS A 36 -12.615 6.742 -2.986 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -14.443 5.511 -1.263 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -13.957 6.935 -0.367 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -16.805 6.228 -2.418 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -15.653 10.045 -3.865 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -17.526 8.325 -3.787 1.00 0.00 H new ATOM 375 N THR A 37 -10.342 6.937 -1.194 1.00 0.00 N ATOM 376 CA THR A 37 -9.313 7.707 -0.490 1.00 0.00 C ATOM 377 C THR A 37 -7.933 7.458 -1.100 1.00 0.00 C ATOM 378 O THR A 37 -7.689 6.399 -1.680 1.00 0.00 O ATOM 379 CB THR A 37 -9.287 7.357 1.006 1.00 0.00 C ATOM 380 OG1 THR A 37 -9.417 5.958 1.214 1.00 0.00 O ATOM 381 CG2 THR A 37 -10.374 8.046 1.802 1.00 0.00 C ATOM 0 H THR A 37 -9.986 6.124 -1.697 1.00 0.00 H new ATOM 0 HA THR A 37 -9.563 8.762 -0.599 1.00 0.00 H new ATOM 0 HB THR A 37 -8.318 7.711 1.359 1.00 0.00 H new ATOM 0 HG1 THR A 37 -9.395 5.767 2.175 1.00 0.00 H new ATOM 0 HG21 THR A 37 -10.298 7.755 2.850 1.00 0.00 H new ATOM 0 HG22 THR A 37 -10.258 9.126 1.716 1.00 0.00 H new ATOM 0 HG23 THR A 37 -11.350 7.754 1.414 1.00 0.00 H new ATOM 389 N PRO A 38 -7.007 8.435 -0.978 1.00 0.00 N ATOM 390 CA PRO A 38 -5.645 8.313 -1.522 1.00 0.00 C ATOM 391 C PRO A 38 -4.916 7.069 -1.010 1.00 0.00 C ATOM 392 O PRO A 38 -5.230 6.554 0.066 1.00 0.00 O ATOM 393 CB PRO A 38 -4.943 9.584 -1.028 1.00 0.00 C ATOM 394 CG PRO A 38 -6.044 10.553 -0.770 1.00 0.00 C ATOM 395 CD PRO A 38 -7.214 9.733 -0.304 1.00 0.00 C ATOM 0 HA PRO A 38 -5.654 8.209 -2.607 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -4.366 9.391 -0.123 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.247 9.966 -1.774 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -5.753 11.283 -0.014 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -6.293 11.111 -1.673 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -7.224 9.626 0.781 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -8.163 10.188 -0.589 1.00 0.00 H new ATOM 403 N LEU A 39 -3.941 6.593 -1.787 1.00 0.00 N ATOM 404 CA LEU A 39 -3.166 5.406 -1.413 1.00 0.00 C ATOM 405 C LEU A 39 -2.400 5.611 -0.103 1.00 0.00 C ATOM 406 O LEU A 39 -2.009 4.639 0.547 1.00 0.00 O ATOM 407 CB LEU A 39 -2.196 5.023 -2.532 1.00 0.00 C ATOM 408 CG LEU A 39 -2.667 3.864 -3.411 1.00 0.00 C ATOM 409 CD1 LEU A 39 -2.137 4.012 -4.829 1.00 0.00 C ATOM 410 CD2 LEU A 39 -2.240 2.529 -2.812 1.00 0.00 C ATOM 0 H LEU A 39 -3.669 7.010 -2.677 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.876 4.593 -1.259 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.027 5.895 -3.163 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.236 4.759 -2.089 1.00 0.00 H new ATOM 0 HG LEU A 39 -3.756 3.888 -3.452 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.485 3.176 -5.436 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.499 4.947 -5.257 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.047 4.019 -4.811 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.584 1.716 -3.452 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.153 2.495 -2.736 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.677 2.419 -1.819 1.00 0.00 H new ATOM 422 N SER A 40 -2.191 6.872 0.282 1.00 0.00 N ATOM 423 CA SER A 40 -1.479 7.195 1.519 1.00 0.00 C ATOM 424 C SER A 40 -2.065 6.425 2.705 1.00 0.00 C ATOM 425 O SER A 40 -1.337 6.033 3.617 1.00 0.00 O ATOM 426 CB SER A 40 -1.538 8.699 1.797 1.00 0.00 C ATOM 427 OG SER A 40 -0.368 9.138 2.467 1.00 0.00 O ATOM 0 H SER A 40 -2.505 7.686 -0.246 1.00 0.00 H new ATOM 0 HA SER A 40 -0.438 6.898 1.392 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.649 9.242 0.858 1.00 0.00 H new ATOM 0 HB3 SER A 40 -2.415 8.926 2.403 1.00 0.00 H new ATOM 0 HG SER A 40 -0.428 10.102 2.632 1.00 0.00 H new ATOM 433 N LYS A 41 -3.384 6.205 2.681 1.00 0.00 N ATOM 434 CA LYS A 41 -4.065 5.472 3.751 1.00 0.00 C ATOM 435 C LYS A 41 -3.413 4.106 3.978 1.00 0.00 C ATOM 436 O LYS A 41 -3.206 3.694 5.118 1.00 0.00 O ATOM 437 CB LYS A 41 -5.550 5.288 3.418 1.00 0.00 C ATOM 438 CG LYS A 41 -6.405 6.515 3.706 1.00 0.00 C ATOM 439 CD LYS A 41 -6.506 6.800 5.199 1.00 0.00 C ATOM 440 CE LYS A 41 -7.160 5.650 5.950 1.00 0.00 C ATOM 441 NZ LYS A 41 -7.918 6.117 7.147 1.00 0.00 N ATOM 0 H LYS A 41 -4.000 6.524 1.933 1.00 0.00 H new ATOM 0 HA LYS A 41 -3.976 6.058 4.666 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.646 5.030 2.363 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.938 4.445 3.989 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -5.979 7.381 3.199 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.404 6.365 3.297 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -5.510 6.978 5.603 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -7.082 7.712 5.357 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.835 5.118 5.280 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -6.394 4.940 6.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -8.346 5.300 7.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -7.271 6.602 7.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -8.666 6.775 6.849 1.00 0.00 H new ATOM 455 N LEU A 42 -3.086 3.415 2.884 1.00 0.00 N ATOM 456 CA LEU A 42 -2.449 2.102 2.968 1.00 0.00 C ATOM 457 C LEU A 42 -0.970 2.240 3.321 1.00 0.00 C ATOM 458 O LEU A 42 -0.463 1.526 4.187 1.00 0.00 O ATOM 459 CB LEU A 42 -2.605 1.345 1.645 1.00 0.00 C ATOM 460 CG LEU A 42 -2.245 -0.144 1.706 1.00 0.00 C ATOM 461 CD1 LEU A 42 -3.463 -0.975 2.081 1.00 0.00 C ATOM 462 CD2 LEU A 42 -1.664 -0.611 0.377 1.00 0.00 C ATOM 0 H LEU A 42 -3.252 3.743 1.932 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.943 1.536 3.758 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.637 1.441 1.308 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.979 1.825 0.893 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.487 -0.281 2.477 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.187 -2.029 2.119 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.831 -0.661 3.058 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.245 -0.832 1.335 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.415 -1.670 0.441 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.397 -0.458 -0.415 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.763 -0.039 0.153 1.00 0.00 H new ATOM 474 N MET A 43 -0.284 3.168 2.650 1.00 0.00 N ATOM 475 CA MET A 43 1.139 3.404 2.898 1.00 0.00 C ATOM 476 C MET A 43 1.391 3.747 4.366 1.00 0.00 C ATOM 477 O MET A 43 2.404 3.344 4.938 1.00 0.00 O ATOM 478 CB MET A 43 1.666 4.531 2.004 1.00 0.00 C ATOM 479 CG MET A 43 3.154 4.423 1.700 1.00 0.00 C ATOM 480 SD MET A 43 3.977 6.028 1.664 1.00 0.00 S ATOM 481 CE MET A 43 4.614 6.118 3.336 1.00 0.00 C ATOM 0 H MET A 43 -0.691 3.767 1.932 1.00 0.00 H new ATOM 0 HA MET A 43 1.673 2.484 2.659 1.00 0.00 H new ATOM 0 HB2 MET A 43 1.111 4.529 1.066 1.00 0.00 H new ATOM 0 HB3 MET A 43 1.471 5.488 2.488 1.00 0.00 H new ATOM 0 HG2 MET A 43 3.629 3.793 2.452 1.00 0.00 H new ATOM 0 HG3 MET A 43 3.289 3.929 0.738 1.00 0.00 H new ATOM 0 HE1 MET A 43 5.567 6.646 3.334 1.00 0.00 H new ATOM 0 HE2 MET A 43 3.904 6.652 3.968 1.00 0.00 H new ATOM 0 HE3 MET A 43 4.759 5.110 3.725 1.00 0.00 H new ATOM 491 N LYS A 44 0.464 4.492 4.970 1.00 0.00 N ATOM 492 CA LYS A 44 0.589 4.886 6.369 1.00 0.00 C ATOM 493 C LYS A 44 0.217 3.733 7.299 1.00 0.00 C ATOM 494 O LYS A 44 0.997 3.362 8.171 1.00 0.00 O ATOM 495 CB LYS A 44 -0.293 6.101 6.666 1.00 0.00 C ATOM 496 CG LYS A 44 0.234 7.399 6.077 1.00 0.00 C ATOM 497 CD LYS A 44 1.348 7.989 6.927 1.00 0.00 C ATOM 498 CE LYS A 44 1.582 9.457 6.601 1.00 0.00 C ATOM 499 NZ LYS A 44 2.522 9.633 5.458 1.00 0.00 N ATOM 0 H LYS A 44 -0.380 4.833 4.510 1.00 0.00 H new ATOM 0 HA LYS A 44 1.631 5.152 6.549 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -1.294 5.916 6.276 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.387 6.215 7.746 1.00 0.00 H new ATOM 0 HG2 LYS A 44 0.603 7.217 5.068 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -0.581 8.118 5.994 1.00 0.00 H new ATOM 0 HD2 LYS A 44 1.095 7.886 7.982 1.00 0.00 H new ATOM 0 HD3 LYS A 44 2.268 7.428 6.763 1.00 0.00 H new ATOM 0 HE2 LYS A 44 0.630 9.932 6.364 1.00 0.00 H new ATOM 0 HE3 LYS A 44 1.981 9.964 7.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 2.773 10.638 5.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 3.383 9.075 5.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 2.067 9.308 4.581 1.00 0.00 H new ATOM 513 N ALA A 45 -0.978 3.171 7.105 1.00 0.00 N ATOM 514 CA ALA A 45 -1.448 2.057 7.934 1.00 0.00 C ATOM 515 C ALA A 45 -0.463 0.884 7.921 1.00 0.00 C ATOM 516 O ALA A 45 -0.336 0.165 8.911 1.00 0.00 O ATOM 517 CB ALA A 45 -2.823 1.593 7.474 1.00 0.00 C ATOM 0 H ALA A 45 -1.636 3.467 6.384 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.519 2.421 8.959 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -3.156 0.766 8.100 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.531 2.418 7.555 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -2.767 1.263 6.437 1.00 0.00 H new ATOM 523 N TYR A 46 0.226 0.695 6.794 1.00 0.00 N ATOM 524 CA TYR A 46 1.192 -0.392 6.658 1.00 0.00 C ATOM 525 C TYR A 46 2.525 -0.045 7.328 1.00 0.00 C ATOM 526 O TYR A 46 3.032 -0.814 8.146 1.00 0.00 O ATOM 527 CB TYR A 46 1.418 -0.716 5.177 1.00 0.00 C ATOM 528 CG TYR A 46 2.367 -1.872 4.939 1.00 0.00 C ATOM 529 CD1 TYR A 46 3.739 -1.666 4.863 1.00 0.00 C ATOM 530 CD2 TYR A 46 1.889 -3.169 4.791 1.00 0.00 C ATOM 531 CE1 TYR A 46 4.607 -2.718 4.645 1.00 0.00 C ATOM 532 CE2 TYR A 46 2.751 -4.226 4.573 1.00 0.00 C ATOM 533 CZ TYR A 46 4.109 -3.995 4.501 1.00 0.00 C ATOM 534 OH TYR A 46 4.970 -5.045 4.282 1.00 0.00 O ATOM 0 H TYR A 46 0.132 1.281 5.964 1.00 0.00 H new ATOM 0 HA TYR A 46 0.781 -1.268 7.160 1.00 0.00 H new ATOM 0 HB2 TYR A 46 0.458 -0.946 4.715 1.00 0.00 H new ATOM 0 HB3 TYR A 46 1.808 0.170 4.677 1.00 0.00 H new ATOM 0 HD1 TYR A 46 4.133 -0.667 4.976 1.00 0.00 H new ATOM 0 HD2 TYR A 46 0.826 -3.353 4.847 1.00 0.00 H new ATOM 0 HE1 TYR A 46 5.671 -2.541 4.588 1.00 0.00 H new ATOM 0 HE2 TYR A 46 2.364 -5.228 4.460 1.00 0.00 H new ATOM 0 HH TYR A 46 4.458 -5.877 4.204 1.00 0.00 H new ATOM 544 N SER A 47 3.088 1.111 6.972 1.00 0.00 N ATOM 545 CA SER A 47 4.367 1.552 7.537 1.00 0.00 C ATOM 546 C SER A 47 4.241 1.849 9.032 1.00 0.00 C ATOM 547 O SER A 47 5.160 1.575 9.806 1.00 0.00 O ATOM 548 CB SER A 47 4.884 2.793 6.797 1.00 0.00 C ATOM 549 OG SER A 47 4.165 3.960 7.169 1.00 0.00 O ATOM 0 H SER A 47 2.681 1.758 6.297 1.00 0.00 H new ATOM 0 HA SER A 47 5.082 0.739 7.410 1.00 0.00 H new ATOM 0 HB2 SER A 47 5.943 2.932 7.015 1.00 0.00 H new ATOM 0 HB3 SER A 47 4.797 2.639 5.721 1.00 0.00 H new ATOM 0 HG SER A 47 3.477 4.148 6.497 1.00 0.00 H new ATOM 555 N GLU A 48 3.100 2.410 9.425 1.00 0.00 N ATOM 556 CA GLU A 48 2.845 2.750 10.821 1.00 0.00 C ATOM 557 C GLU A 48 2.707 1.489 11.678 1.00 0.00 C ATOM 558 O GLU A 48 3.310 1.392 12.748 1.00 0.00 O ATOM 559 CB GLU A 48 1.579 3.609 10.931 1.00 0.00 C ATOM 560 CG GLU A 48 1.385 4.248 12.296 1.00 0.00 C ATOM 561 CD GLU A 48 -0.067 4.256 12.732 1.00 0.00 C ATOM 562 OE1 GLU A 48 -0.502 3.274 13.368 1.00 0.00 O ATOM 563 OE2 GLU A 48 -0.771 5.244 12.432 1.00 0.00 O ATOM 0 H GLU A 48 2.334 2.639 8.792 1.00 0.00 H new ATOM 0 HA GLU A 48 3.696 3.320 11.194 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.618 4.394 10.176 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.711 2.990 10.704 1.00 0.00 H new ATOM 0 HG2 GLU A 48 1.980 3.709 13.034 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.759 5.271 12.271 1.00 0.00 H new ATOM 570 N ARG A 49 1.914 0.528 11.201 1.00 0.00 N ATOM 571 CA ARG A 49 1.700 -0.727 11.925 1.00 0.00 C ATOM 572 C ARG A 49 3.015 -1.481 12.135 1.00 0.00 C ATOM 573 O ARG A 49 3.315 -1.918 13.246 1.00 0.00 O ATOM 574 CB ARG A 49 0.711 -1.621 11.169 1.00 0.00 C ATOM 575 CG ARG A 49 -0.721 -1.525 11.674 1.00 0.00 C ATOM 576 CD ARG A 49 -1.387 -2.893 11.720 1.00 0.00 C ATOM 577 NE ARG A 49 -2.699 -2.850 12.365 1.00 0.00 N ATOM 578 CZ ARG A 49 -3.454 -3.927 12.594 1.00 0.00 C ATOM 579 NH1 ARG A 49 -3.033 -5.135 12.229 1.00 0.00 N ATOM 580 NH2 ARG A 49 -4.634 -3.797 13.191 1.00 0.00 N ATOM 0 H ARG A 49 1.409 0.594 10.317 1.00 0.00 H new ATOM 0 HA ARG A 49 1.286 -0.475 12.902 1.00 0.00 H new ATOM 0 HB2 ARG A 49 0.731 -1.355 10.112 1.00 0.00 H new ATOM 0 HB3 ARG A 49 1.043 -2.657 11.243 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -0.728 -1.082 12.670 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -1.293 -0.862 11.025 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -1.496 -3.276 10.705 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.743 -3.590 12.257 1.00 0.00 H new ATOM 0 HE ARG A 49 -3.059 -1.942 12.658 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -2.128 -5.243 11.771 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -3.615 -5.953 12.407 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -4.963 -2.874 13.474 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -5.211 -4.620 13.366 1.00 0.00 H new ATOM 594 N GLN A 50 3.791 -1.637 11.060 1.00 0.00 N ATOM 595 CA GLN A 50 5.068 -2.345 11.130 1.00 0.00 C ATOM 596 C GLN A 50 6.062 -1.609 12.029 1.00 0.00 C ATOM 597 O GLN A 50 6.399 -2.090 13.112 1.00 0.00 O ATOM 598 CB GLN A 50 5.662 -2.522 9.728 1.00 0.00 C ATOM 599 CG GLN A 50 4.994 -3.617 8.908 1.00 0.00 C ATOM 600 CD GLN A 50 5.066 -4.979 9.577 1.00 0.00 C ATOM 601 OE1 GLN A 50 5.997 -5.266 10.330 1.00 0.00 O ATOM 602 NE2 GLN A 50 4.080 -5.828 9.308 1.00 0.00 N ATOM 0 H GLN A 50 3.557 -1.283 10.133 1.00 0.00 H new ATOM 0 HA GLN A 50 4.879 -3.327 11.563 1.00 0.00 H new ATOM 0 HB2 GLN A 50 5.582 -1.578 9.189 1.00 0.00 H new ATOM 0 HB3 GLN A 50 6.724 -2.748 9.820 1.00 0.00 H new ATOM 0 HG2 GLN A 50 3.949 -3.354 8.741 1.00 0.00 H new ATOM 0 HG3 GLN A 50 5.469 -3.673 7.929 1.00 0.00 H new ATOM 0 HE21 GLN A 50 3.327 -5.552 8.678 1.00 0.00 H new ATOM 0 HE22 GLN A 50 4.076 -6.756 9.731 1.00 0.00 H new ATOM 611 N GLY A 51 6.527 -0.444 11.574 1.00 0.00 N ATOM 612 CA GLY A 51 7.476 0.335 12.355 1.00 0.00 C ATOM 613 C GLY A 51 8.587 0.935 11.510 1.00 0.00 C ATOM 614 O GLY A 51 9.739 0.986 11.943 1.00 0.00 O ATOM 0 H GLY A 51 6.264 -0.028 10.681 1.00 0.00 H new ATOM 0 HA2 GLY A 51 6.945 1.136 12.869 1.00 0.00 H new ATOM 0 HA3 GLY A 51 7.915 -0.301 13.124 1.00 0.00 H new ATOM 618 N LEU A 52 8.245 1.389 10.304 1.00 0.00 N ATOM 619 CA LEU A 52 9.222 1.985 9.405 1.00 0.00 C ATOM 620 C LEU A 52 9.009 3.498 9.306 1.00 0.00 C ATOM 621 O LEU A 52 8.487 4.120 10.232 1.00 0.00 O ATOM 622 CB LEU A 52 9.131 1.336 8.018 1.00 0.00 C ATOM 623 CG LEU A 52 9.131 -0.195 8.000 1.00 0.00 C ATOM 624 CD1 LEU A 52 10.247 -0.750 8.874 1.00 0.00 C ATOM 625 CD2 LEU A 52 7.782 -0.742 8.441 1.00 0.00 C ATOM 0 H LEU A 52 7.296 1.353 9.931 1.00 0.00 H new ATOM 0 HA LEU A 52 10.219 1.807 9.807 1.00 0.00 H new ATOM 0 HB2 LEU A 52 8.221 1.687 7.532 1.00 0.00 H new ATOM 0 HB3 LEU A 52 9.969 1.688 7.417 1.00 0.00 H new ATOM 0 HG LEU A 52 9.311 -0.518 6.975 1.00 0.00 H new ATOM 0 HD11 LEU A 52 10.225 -1.839 8.844 1.00 0.00 H new ATOM 0 HD12 LEU A 52 11.209 -0.396 8.504 1.00 0.00 H new ATOM 0 HD13 LEU A 52 10.107 -0.413 9.901 1.00 0.00 H new ATOM 0 HD21 LEU A 52 7.807 -1.832 8.420 1.00 0.00 H new ATOM 0 HD22 LEU A 52 7.566 -0.403 9.454 1.00 0.00 H new ATOM 0 HD23 LEU A 52 7.006 -0.384 7.765 1.00 0.00 H new ATOM 637 N SER A 53 9.416 4.084 8.180 1.00 0.00 N ATOM 638 CA SER A 53 9.271 5.520 7.962 1.00 0.00 C ATOM 639 C SER A 53 8.002 5.826 7.173 1.00 0.00 C ATOM 640 O SER A 53 7.845 5.376 6.038 1.00 0.00 O ATOM 641 CB SER A 53 10.491 6.072 7.217 1.00 0.00 C ATOM 642 OG SER A 53 10.988 5.134 6.275 1.00 0.00 O ATOM 0 H SER A 53 9.849 3.583 7.404 1.00 0.00 H new ATOM 0 HA SER A 53 9.199 6.003 8.937 1.00 0.00 H new ATOM 0 HB2 SER A 53 10.220 6.996 6.705 1.00 0.00 H new ATOM 0 HB3 SER A 53 11.274 6.322 7.933 1.00 0.00 H new ATOM 0 HG SER A 53 10.243 4.765 5.757 1.00 0.00 H new ATOM 648 N MET A 54 7.102 6.603 7.775 1.00 0.00 N ATOM 649 CA MET A 54 5.848 6.975 7.115 1.00 0.00 C ATOM 650 C MET A 54 6.075 8.001 5.997 1.00 0.00 C ATOM 651 O MET A 54 5.137 8.356 5.279 1.00 0.00 O ATOM 652 CB MET A 54 4.845 7.524 8.135 1.00 0.00 C ATOM 653 CG MET A 54 5.388 8.665 8.981 1.00 0.00 C ATOM 654 SD MET A 54 5.547 8.220 10.721 1.00 0.00 S ATOM 655 CE MET A 54 5.646 9.839 11.481 1.00 0.00 C ATOM 0 H MET A 54 7.215 6.986 8.714 1.00 0.00 H new ATOM 0 HA MET A 54 5.440 6.071 6.662 1.00 0.00 H new ATOM 0 HB2 MET A 54 3.956 7.868 7.607 1.00 0.00 H new ATOM 0 HB3 MET A 54 4.531 6.714 8.793 1.00 0.00 H new ATOM 0 HG2 MET A 54 6.362 8.967 8.596 1.00 0.00 H new ATOM 0 HG3 MET A 54 4.728 9.527 8.889 1.00 0.00 H new ATOM 0 HE1 MET A 54 5.747 9.729 12.561 1.00 0.00 H new ATOM 0 HE2 MET A 54 6.511 10.373 11.088 1.00 0.00 H new ATOM 0 HE3 MET A 54 4.740 10.402 11.257 1.00 0.00 H new ATOM 665 N ARG A 55 7.318 8.473 5.848 1.00 0.00 N ATOM 666 CA ARG A 55 7.654 9.448 4.813 1.00 0.00 C ATOM 667 C ARG A 55 8.717 8.897 3.856 1.00 0.00 C ATOM 668 O ARG A 55 9.422 9.663 3.196 1.00 0.00 O ATOM 669 CB ARG A 55 8.146 10.753 5.451 1.00 0.00 C ATOM 670 CG ARG A 55 9.154 10.549 6.573 1.00 0.00 C ATOM 671 CD ARG A 55 10.110 11.726 6.691 1.00 0.00 C ATOM 672 NE ARG A 55 10.467 12.004 8.082 1.00 0.00 N ATOM 673 CZ ARG A 55 11.198 13.051 8.472 1.00 0.00 C ATOM 674 NH1 ARG A 55 11.660 13.921 7.578 1.00 0.00 N ATOM 675 NH2 ARG A 55 11.468 13.226 9.760 1.00 0.00 N ATOM 0 H ARG A 55 8.106 8.193 6.433 1.00 0.00 H new ATOM 0 HA ARG A 55 6.751 9.651 4.237 1.00 0.00 H new ATOM 0 HB2 ARG A 55 8.598 11.376 4.679 1.00 0.00 H new ATOM 0 HB3 ARG A 55 7.288 11.301 5.841 1.00 0.00 H new ATOM 0 HG2 ARG A 55 8.626 10.413 7.517 1.00 0.00 H new ATOM 0 HG3 ARG A 55 9.721 9.636 6.391 1.00 0.00 H new ATOM 0 HD2 ARG A 55 11.014 11.517 6.119 1.00 0.00 H new ATOM 0 HD3 ARG A 55 9.651 12.611 6.250 1.00 0.00 H new ATOM 0 HE ARG A 55 10.137 11.358 8.799 1.00 0.00 H new ATOM 0 HH11 ARG A 55 11.456 13.791 6.587 1.00 0.00 H new ATOM 0 HH12 ARG A 55 12.218 14.718 7.883 1.00 0.00 H new ATOM 0 HH21 ARG A 55 11.117 12.561 10.450 1.00 0.00 H new ATOM 0 HH22 ARG A 55 12.026 14.025 10.060 1.00 0.00 H new ATOM 689 N GLN A 56 8.817 7.567 3.769 1.00 0.00 N ATOM 690 CA GLN A 56 9.777 6.928 2.881 1.00 0.00 C ATOM 691 C GLN A 56 9.376 5.478 2.616 1.00 0.00 C ATOM 692 O GLN A 56 9.948 4.544 3.181 1.00 0.00 O ATOM 693 CB GLN A 56 11.186 6.994 3.484 1.00 0.00 C ATOM 694 CG GLN A 56 12.260 7.373 2.477 1.00 0.00 C ATOM 695 CD GLN A 56 12.789 6.178 1.706 1.00 0.00 C ATOM 696 OE1 GLN A 56 13.890 5.694 1.968 1.00 0.00 O ATOM 697 NE2 GLN A 56 12.006 5.694 0.747 1.00 0.00 N ATOM 0 H GLN A 56 8.242 6.917 4.305 1.00 0.00 H new ATOM 0 HA GLN A 56 9.781 7.463 1.931 1.00 0.00 H new ATOM 0 HB2 GLN A 56 11.191 7.719 4.298 1.00 0.00 H new ATOM 0 HB3 GLN A 56 11.432 6.025 3.919 1.00 0.00 H new ATOM 0 HG2 GLN A 56 11.853 8.102 1.776 1.00 0.00 H new ATOM 0 HG3 GLN A 56 13.085 7.858 2.998 1.00 0.00 H new ATOM 0 HE21 GLN A 56 11.100 6.125 0.562 1.00 0.00 H new ATOM 0 HE22 GLN A 56 12.311 4.892 0.196 1.00 0.00 H new ATOM 706 N ILE A 57 8.392 5.310 1.737 1.00 0.00 N ATOM 707 CA ILE A 57 7.886 3.987 1.354 1.00 0.00 C ATOM 708 C ILE A 57 7.347 4.023 -0.078 1.00 0.00 C ATOM 709 O ILE A 57 7.034 5.093 -0.604 1.00 0.00 O ATOM 710 CB ILE A 57 6.752 3.502 2.296 1.00 0.00 C ATOM 711 CG1 ILE A 57 7.177 3.586 3.766 1.00 0.00 C ATOM 712 CG2 ILE A 57 6.327 2.080 1.952 1.00 0.00 C ATOM 713 CD1 ILE A 57 8.199 2.542 4.171 1.00 0.00 C ATOM 0 H ILE A 57 7.921 6.084 1.268 1.00 0.00 H new ATOM 0 HA ILE A 57 8.723 3.293 1.431 1.00 0.00 H new ATOM 0 HB ILE A 57 5.899 4.164 2.148 1.00 0.00 H new ATOM 0 HG12 ILE A 57 7.588 4.577 3.959 1.00 0.00 H new ATOM 0 HG13 ILE A 57 6.294 3.479 4.396 1.00 0.00 H new ATOM 0 HG21 ILE A 57 5.531 1.765 2.627 1.00 0.00 H new ATOM 0 HG22 ILE A 57 5.965 2.047 0.924 1.00 0.00 H new ATOM 0 HG23 ILE A 57 7.180 1.410 2.058 1.00 0.00 H new ATOM 0 HD11 ILE A 57 8.449 2.667 5.225 1.00 0.00 H new ATOM 0 HD12 ILE A 57 7.785 1.546 4.012 1.00 0.00 H new ATOM 0 HD13 ILE A 57 9.099 2.661 3.568 1.00 0.00 H new ATOM 725 N ARG A 58 7.237 2.851 -0.704 1.00 0.00 N ATOM 726 CA ARG A 58 6.730 2.756 -2.072 1.00 0.00 C ATOM 727 C ARG A 58 6.064 1.403 -2.329 1.00 0.00 C ATOM 728 O ARG A 58 6.436 0.393 -1.729 1.00 0.00 O ATOM 729 CB ARG A 58 7.863 2.978 -3.081 1.00 0.00 C ATOM 730 CG ARG A 58 8.934 1.897 -3.054 1.00 0.00 C ATOM 731 CD ARG A 58 9.211 1.344 -4.445 1.00 0.00 C ATOM 732 NE ARG A 58 10.643 1.186 -4.696 1.00 0.00 N ATOM 733 CZ ARG A 58 11.467 2.194 -4.995 1.00 0.00 C ATOM 734 NH1 ARG A 58 11.002 3.437 -5.095 1.00 0.00 N ATOM 735 NH2 ARG A 58 12.759 1.958 -5.194 1.00 0.00 N ATOM 0 H ARG A 58 7.492 1.956 -0.286 1.00 0.00 H new ATOM 0 HA ARG A 58 5.979 3.535 -2.199 1.00 0.00 H new ATOM 0 HB2 ARG A 58 7.438 3.030 -4.084 1.00 0.00 H new ATOM 0 HB3 ARG A 58 8.329 3.943 -2.882 1.00 0.00 H new ATOM 0 HG2 ARG A 58 9.853 2.306 -2.635 1.00 0.00 H new ATOM 0 HG3 ARG A 58 8.617 1.087 -2.397 1.00 0.00 H new ATOM 0 HD2 ARG A 58 8.715 0.380 -4.558 1.00 0.00 H new ATOM 0 HD3 ARG A 58 8.783 2.012 -5.193 1.00 0.00 H new ATOM 0 HE ARG A 58 11.037 0.247 -4.639 1.00 0.00 H new ATOM 0 HH11 ARG A 58 10.011 3.625 -4.943 1.00 0.00 H new ATOM 0 HH12 ARG A 58 11.637 4.202 -5.324 1.00 0.00 H new ATOM 0 HH21 ARG A 58 13.121 1.008 -5.118 1.00 0.00 H new ATOM 0 HH22 ARG A 58 13.389 2.727 -5.422 1.00 0.00 H new ATOM 749 N PHE A 59 5.083 1.395 -3.233 1.00 0.00 N ATOM 750 CA PHE A 59 4.364 0.170 -3.584 1.00 0.00 C ATOM 751 C PHE A 59 4.596 -0.193 -5.050 1.00 0.00 C ATOM 752 O PHE A 59 5.005 0.651 -5.850 1.00 0.00 O ATOM 753 CB PHE A 59 2.863 0.332 -3.322 1.00 0.00 C ATOM 754 CG PHE A 59 2.504 0.402 -1.863 1.00 0.00 C ATOM 755 CD1 PHE A 59 2.636 -0.711 -1.048 1.00 0.00 C ATOM 756 CD2 PHE A 59 2.032 1.581 -1.308 1.00 0.00 C ATOM 757 CE1 PHE A 59 2.305 -0.649 0.293 1.00 0.00 C ATOM 758 CE2 PHE A 59 1.700 1.649 0.031 1.00 0.00 C ATOM 759 CZ PHE A 59 1.836 0.532 0.832 1.00 0.00 C ATOM 0 H PHE A 59 4.768 2.225 -3.736 1.00 0.00 H new ATOM 0 HA PHE A 59 4.748 -0.635 -2.958 1.00 0.00 H new ATOM 0 HB2 PHE A 59 2.513 1.238 -3.816 1.00 0.00 H new ATOM 0 HB3 PHE A 59 2.332 -0.504 -3.777 1.00 0.00 H new ATOM 0 HD1 PHE A 59 3.002 -1.638 -1.465 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.922 2.457 -1.930 1.00 0.00 H new ATOM 0 HE1 PHE A 59 2.413 -1.523 0.918 1.00 0.00 H new ATOM 0 HE2 PHE A 59 1.335 2.574 0.451 1.00 0.00 H new ATOM 0 HZ PHE A 59 1.576 0.583 1.879 1.00 0.00 H new ATOM 769 N ARG A 60 4.336 -1.455 -5.395 1.00 0.00 N ATOM 770 CA ARG A 60 4.522 -1.931 -6.764 1.00 0.00 C ATOM 771 C ARG A 60 3.390 -2.866 -7.189 1.00 0.00 C ATOM 772 O ARG A 60 3.243 -3.960 -6.643 1.00 0.00 O ATOM 773 CB ARG A 60 5.864 -2.657 -6.893 1.00 0.00 C ATOM 774 CG ARG A 60 7.062 -1.725 -6.952 1.00 0.00 C ATOM 775 CD ARG A 60 8.124 -2.245 -7.910 1.00 0.00 C ATOM 776 NE ARG A 60 8.906 -1.160 -8.505 1.00 0.00 N ATOM 777 CZ ARG A 60 9.638 -1.288 -9.614 1.00 0.00 C ATOM 778 NH1 ARG A 60 9.706 -2.456 -10.249 1.00 0.00 N ATOM 779 NH2 ARG A 60 10.307 -0.244 -10.091 1.00 0.00 N ATOM 0 H ARG A 60 3.996 -2.164 -4.745 1.00 0.00 H new ATOM 0 HA ARG A 60 4.512 -1.061 -7.421 1.00 0.00 H new ATOM 0 HB2 ARG A 60 5.983 -3.334 -6.047 1.00 0.00 H new ATOM 0 HB3 ARG A 60 5.849 -3.272 -7.793 1.00 0.00 H new ATOM 0 HG2 ARG A 60 6.738 -0.734 -7.269 1.00 0.00 H new ATOM 0 HG3 ARG A 60 7.490 -1.617 -5.955 1.00 0.00 H new ATOM 0 HD2 ARG A 60 8.791 -2.923 -7.378 1.00 0.00 H new ATOM 0 HD3 ARG A 60 7.647 -2.823 -8.701 1.00 0.00 H new ATOM 0 HE ARG A 60 8.891 -0.250 -8.044 1.00 0.00 H new ATOM 0 HH11 ARG A 60 9.196 -3.263 -9.889 1.00 0.00 H new ATOM 0 HH12 ARG A 60 10.268 -2.544 -11.096 1.00 0.00 H new ATOM 0 HH21 ARG A 60 10.261 0.654 -9.610 1.00 0.00 H new ATOM 0 HH22 ARG A 60 10.867 -0.341 -10.938 1.00 0.00 H new ATOM 793 N PHE A 61 2.603 -2.434 -8.175 1.00 0.00 N ATOM 794 CA PHE A 61 1.495 -3.240 -8.684 1.00 0.00 C ATOM 795 C PHE A 61 1.823 -3.772 -10.078 1.00 0.00 C ATOM 796 O PHE A 61 1.727 -3.042 -11.066 1.00 0.00 O ATOM 797 CB PHE A 61 0.202 -2.419 -8.722 1.00 0.00 C ATOM 798 CG PHE A 61 -1.000 -3.207 -9.175 1.00 0.00 C ATOM 799 CD1 PHE A 61 -1.785 -3.890 -8.259 1.00 0.00 C ATOM 800 CD2 PHE A 61 -1.340 -3.268 -10.519 1.00 0.00 C ATOM 801 CE1 PHE A 61 -2.884 -4.617 -8.672 1.00 0.00 C ATOM 802 CE2 PHE A 61 -2.439 -3.995 -10.938 1.00 0.00 C ATOM 803 CZ PHE A 61 -3.212 -4.670 -10.013 1.00 0.00 C ATOM 0 H PHE A 61 2.713 -1.531 -8.636 1.00 0.00 H new ATOM 0 HA PHE A 61 1.348 -4.085 -8.011 1.00 0.00 H new ATOM 0 HB2 PHE A 61 0.008 -2.016 -7.728 1.00 0.00 H new ATOM 0 HB3 PHE A 61 0.341 -1.568 -9.389 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -1.534 -3.853 -7.209 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -0.739 -2.742 -11.246 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -3.487 -5.144 -7.947 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -2.693 -4.035 -11.987 1.00 0.00 H new ATOM 0 HZ PHE A 61 -4.071 -5.238 -10.338 1.00 0.00 H new ATOM 813 N ASP A 62 2.217 -5.045 -10.146 1.00 0.00 N ATOM 814 CA ASP A 62 2.572 -5.683 -11.417 1.00 0.00 C ATOM 815 C ASP A 62 3.624 -4.863 -12.170 1.00 0.00 C ATOM 816 O ASP A 62 3.490 -4.609 -13.370 1.00 0.00 O ATOM 817 CB ASP A 62 1.323 -5.874 -12.289 1.00 0.00 C ATOM 818 CG ASP A 62 0.318 -6.841 -11.685 1.00 0.00 C ATOM 819 OD1 ASP A 62 0.737 -7.754 -10.940 1.00 0.00 O ATOM 820 OD2 ASP A 62 -0.890 -6.685 -11.958 1.00 0.00 O ATOM 0 H ASP A 62 2.299 -5.657 -9.334 1.00 0.00 H new ATOM 0 HA ASP A 62 2.998 -6.661 -11.194 1.00 0.00 H new ATOM 0 HB2 ASP A 62 0.842 -4.908 -12.442 1.00 0.00 H new ATOM 0 HB3 ASP A 62 1.625 -6.239 -13.271 1.00 0.00 H new ATOM 825 N GLY A 63 4.668 -4.445 -11.453 1.00 0.00 N ATOM 826 CA GLY A 63 5.728 -3.651 -12.060 1.00 0.00 C ATOM 827 C GLY A 63 5.313 -2.209 -12.328 1.00 0.00 C ATOM 828 O GLY A 63 5.933 -1.526 -13.144 1.00 0.00 O ATOM 0 H GLY A 63 4.799 -4.642 -10.461 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.599 -3.657 -11.405 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.031 -4.116 -12.998 1.00 0.00 H new ATOM 832 N GLN A 64 4.265 -1.746 -11.642 1.00 0.00 N ATOM 833 CA GLN A 64 3.774 -0.382 -11.812 1.00 0.00 C ATOM 834 C GLN A 64 3.857 0.395 -10.495 1.00 0.00 C ATOM 835 O GLN A 64 2.894 0.439 -9.728 1.00 0.00 O ATOM 836 CB GLN A 64 2.331 -0.403 -12.327 1.00 0.00 C ATOM 837 CG GLN A 64 1.885 0.907 -12.959 1.00 0.00 C ATOM 838 CD GLN A 64 0.487 1.312 -12.531 1.00 0.00 C ATOM 839 OE1 GLN A 64 -0.404 1.484 -13.362 1.00 0.00 O ATOM 840 NE2 GLN A 64 0.289 1.468 -11.226 1.00 0.00 N ATOM 0 H GLN A 64 3.741 -2.299 -10.963 1.00 0.00 H new ATOM 0 HA GLN A 64 4.404 0.122 -12.544 1.00 0.00 H new ATOM 0 HB2 GLN A 64 2.229 -1.203 -13.060 1.00 0.00 H new ATOM 0 HB3 GLN A 64 1.663 -0.642 -11.499 1.00 0.00 H new ATOM 0 HG2 GLN A 64 2.587 1.695 -12.688 1.00 0.00 H new ATOM 0 HG3 GLN A 64 1.916 0.812 -14.044 1.00 0.00 H new ATOM 0 HE21 GLN A 64 1.056 1.315 -10.572 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -0.630 1.741 -10.879 1.00 0.00 H new ATOM 849 N PRO A 65 5.023 1.015 -10.215 1.00 0.00 N ATOM 850 CA PRO A 65 5.243 1.793 -8.985 1.00 0.00 C ATOM 851 C PRO A 65 4.189 2.882 -8.780 1.00 0.00 C ATOM 852 O PRO A 65 3.628 3.403 -9.747 1.00 0.00 O ATOM 853 CB PRO A 65 6.626 2.419 -9.199 1.00 0.00 C ATOM 854 CG PRO A 65 7.304 1.520 -10.172 1.00 0.00 C ATOM 855 CD PRO A 65 6.222 0.998 -11.075 1.00 0.00 C ATOM 0 HA PRO A 65 5.176 1.167 -8.095 1.00 0.00 H new ATOM 0 HB2 PRO A 65 6.545 3.434 -9.588 1.00 0.00 H new ATOM 0 HB3 PRO A 65 7.182 2.480 -8.263 1.00 0.00 H new ATOM 0 HG2 PRO A 65 8.061 2.060 -10.741 1.00 0.00 H new ATOM 0 HG3 PRO A 65 7.813 0.703 -9.660 1.00 0.00 H new ATOM 0 HD2 PRO A 65 6.094 1.628 -11.955 1.00 0.00 H new ATOM 0 HD3 PRO A 65 6.446 -0.007 -11.432 1.00 0.00 H new ATOM 863 N ILE A 66 3.923 3.215 -7.515 1.00 0.00 N ATOM 864 CA ILE A 66 2.929 4.236 -7.177 1.00 0.00 C ATOM 865 C ILE A 66 3.389 5.105 -6.003 1.00 0.00 C ATOM 866 O ILE A 66 4.403 4.815 -5.362 1.00 0.00 O ATOM 867 CB ILE A 66 1.565 3.597 -6.833 1.00 0.00 C ATOM 868 CG1 ILE A 66 1.743 2.453 -5.826 1.00 0.00 C ATOM 869 CG2 ILE A 66 0.882 3.096 -8.099 1.00 0.00 C ATOM 870 CD1 ILE A 66 0.442 1.803 -5.402 1.00 0.00 C ATOM 0 H ILE A 66 4.382 2.793 -6.708 1.00 0.00 H new ATOM 0 HA ILE A 66 2.817 4.867 -8.058 1.00 0.00 H new ATOM 0 HB ILE A 66 0.932 4.357 -6.376 1.00 0.00 H new ATOM 0 HG12 ILE A 66 2.392 1.694 -6.264 1.00 0.00 H new ATOM 0 HG13 ILE A 66 2.252 2.836 -4.942 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -0.078 2.648 -7.842 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.722 3.931 -8.781 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.513 2.350 -8.582 1.00 0.00 H new ATOM 0 HD11 ILE A 66 0.649 1.004 -4.690 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.201 2.548 -4.934 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.060 1.388 -6.276 1.00 0.00 H new ATOM 882 N ASN A 67 2.634 6.173 -5.731 1.00 0.00 N ATOM 883 CA ASN A 67 2.952 7.096 -4.638 1.00 0.00 C ATOM 884 C ASN A 67 1.824 7.141 -3.605 1.00 0.00 C ATOM 885 O ASN A 67 0.743 6.594 -3.831 1.00 0.00 O ATOM 886 CB ASN A 67 3.193 8.505 -5.189 1.00 0.00 C ATOM 887 CG ASN A 67 4.441 8.593 -6.046 1.00 0.00 C ATOM 888 OD1 ASN A 67 4.502 8.020 -7.134 1.00 0.00 O ATOM 889 ND2 ASN A 67 5.446 9.316 -5.563 1.00 0.00 N ATOM 0 H ASN A 67 1.795 6.420 -6.255 1.00 0.00 H new ATOM 0 HA ASN A 67 3.856 6.734 -4.149 1.00 0.00 H new ATOM 0 HB2 ASN A 67 2.330 8.812 -5.779 1.00 0.00 H new ATOM 0 HB3 ASN A 67 3.277 9.206 -4.359 1.00 0.00 H new ATOM 0 HD21 ASN A 67 6.309 9.412 -6.099 1.00 0.00 H new ATOM 0 HD22 ASN A 67 5.355 9.775 -4.657 1.00 0.00 H new ATOM 896 N GLU A 68 2.082 7.807 -2.475 1.00 0.00 N ATOM 897 CA GLU A 68 1.084 7.935 -1.411 1.00 0.00 C ATOM 898 C GLU A 68 -0.017 8.921 -1.811 1.00 0.00 C ATOM 899 O GLU A 68 -1.171 8.774 -1.402 1.00 0.00 O ATOM 900 CB GLU A 68 1.741 8.379 -0.096 1.00 0.00 C ATOM 901 CG GLU A 68 2.374 9.766 -0.150 1.00 0.00 C ATOM 902 CD GLU A 68 1.634 10.784 0.701 1.00 0.00 C ATOM 903 OE1 GLU A 68 0.470 11.099 0.376 1.00 0.00 O ATOM 904 OE2 GLU A 68 2.220 11.264 1.694 1.00 0.00 O ATOM 0 H GLU A 68 2.971 8.264 -2.275 1.00 0.00 H new ATOM 0 HA GLU A 68 0.632 6.955 -1.259 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.991 8.365 0.695 1.00 0.00 H new ATOM 0 HB3 GLU A 68 2.507 7.653 0.178 1.00 0.00 H new ATOM 0 HG2 GLU A 68 3.409 9.702 0.186 1.00 0.00 H new ATOM 0 HG3 GLU A 68 2.396 10.111 -1.184 1.00 0.00 H new ATOM 911 N THR A 69 0.343 9.922 -2.622 1.00 0.00 N ATOM 912 CA THR A 69 -0.619 10.927 -3.083 1.00 0.00 C ATOM 913 C THR A 69 -1.490 10.401 -4.233 1.00 0.00 C ATOM 914 O THR A 69 -2.244 11.164 -4.842 1.00 0.00 O ATOM 915 CB THR A 69 0.103 12.206 -3.530 1.00 0.00 C ATOM 916 OG1 THR A 69 0.870 11.977 -4.703 1.00 0.00 O ATOM 917 CG2 THR A 69 1.031 12.780 -2.479 1.00 0.00 C ATOM 0 H THR A 69 1.292 10.057 -2.972 1.00 0.00 H new ATOM 0 HA THR A 69 -1.270 11.154 -2.239 1.00 0.00 H new ATOM 0 HB THR A 69 -0.695 12.925 -3.716 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.318 12.807 -4.968 1.00 0.00 H new ATOM 0 HG21 THR A 69 1.505 13.682 -2.866 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.459 13.026 -1.584 1.00 0.00 H new ATOM 0 HG23 THR A 69 1.797 12.046 -2.230 1.00 0.00 H new ATOM 925 N ASP A 70 -1.386 9.103 -4.533 1.00 0.00 N ATOM 926 CA ASP A 70 -2.166 8.500 -5.610 1.00 0.00 C ATOM 927 C ASP A 70 -3.664 8.523 -5.297 1.00 0.00 C ATOM 928 O ASP A 70 -4.077 8.935 -4.211 1.00 0.00 O ATOM 929 CB ASP A 70 -1.708 7.062 -5.851 1.00 0.00 C ATOM 930 CG ASP A 70 -0.661 6.955 -6.943 1.00 0.00 C ATOM 931 OD1 ASP A 70 0.246 7.814 -6.989 1.00 0.00 O ATOM 932 OD2 ASP A 70 -0.745 6.007 -7.751 1.00 0.00 O ATOM 0 H ASP A 70 -0.770 8.453 -4.045 1.00 0.00 H new ATOM 0 HA ASP A 70 -1.999 9.090 -6.512 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -1.304 6.654 -4.925 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -2.570 6.451 -6.119 1.00 0.00 H new ATOM 937 N THR A 71 -4.471 8.070 -6.261 1.00 0.00 N ATOM 938 CA THR A 71 -5.927 8.030 -6.106 1.00 0.00 C ATOM 939 C THR A 71 -6.590 7.223 -7.228 1.00 0.00 C ATOM 940 O THR A 71 -7.328 6.277 -6.951 1.00 0.00 O ATOM 941 CB THR A 71 -6.522 9.447 -6.062 1.00 0.00 C ATOM 942 OG1 THR A 71 -5.559 10.425 -6.421 1.00 0.00 O ATOM 943 CG2 THR A 71 -7.071 9.819 -4.702 1.00 0.00 C ATOM 0 H THR A 71 -4.138 7.724 -7.161 1.00 0.00 H new ATOM 0 HA THR A 71 -6.132 7.534 -5.157 1.00 0.00 H new ATOM 0 HB THR A 71 -7.341 9.431 -6.781 1.00 0.00 H new ATOM 0 HG1 THR A 71 -5.968 11.315 -6.385 1.00 0.00 H new ATOM 0 HG21 THR A 71 -7.476 10.830 -4.737 1.00 0.00 H new ATOM 0 HG22 THR A 71 -7.861 9.121 -4.425 1.00 0.00 H new ATOM 0 HG23 THR A 71 -6.272 9.774 -3.962 1.00 0.00 H new ATOM 951 N PRO A 72 -6.349 7.580 -8.516 1.00 0.00 N ATOM 952 CA PRO A 72 -6.945 6.866 -9.655 1.00 0.00 C ATOM 953 C PRO A 72 -6.827 5.347 -9.533 1.00 0.00 C ATOM 954 O PRO A 72 -7.823 4.632 -9.647 1.00 0.00 O ATOM 955 CB PRO A 72 -6.139 7.372 -10.849 1.00 0.00 C ATOM 956 CG PRO A 72 -5.708 8.741 -10.457 1.00 0.00 C ATOM 957 CD PRO A 72 -5.493 8.702 -8.965 1.00 0.00 C ATOM 0 HA PRO A 72 -8.016 7.053 -9.732 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -5.282 6.729 -11.050 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -6.743 7.391 -11.756 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -4.792 9.024 -10.975 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -6.465 9.479 -10.722 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.446 8.531 -8.716 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -5.784 9.641 -8.494 1.00 0.00 H new ATOM 965 N ALA A 73 -5.608 4.862 -9.292 1.00 0.00 N ATOM 966 CA ALA A 73 -5.367 3.428 -9.145 1.00 0.00 C ATOM 967 C ALA A 73 -6.137 2.873 -7.951 1.00 0.00 C ATOM 968 O ALA A 73 -6.784 1.829 -8.047 1.00 0.00 O ATOM 969 CB ALA A 73 -3.879 3.151 -8.983 1.00 0.00 C ATOM 0 H ALA A 73 -4.774 5.441 -9.195 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.719 2.930 -10.048 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -3.718 2.078 -8.875 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -3.344 3.511 -9.862 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -3.508 3.665 -8.096 1.00 0.00 H new ATOM 975 N GLN A 74 -6.062 3.589 -6.829 1.00 0.00 N ATOM 976 CA GLN A 74 -6.749 3.190 -5.607 1.00 0.00 C ATOM 977 C GLN A 74 -8.260 3.080 -5.832 1.00 0.00 C ATOM 978 O GLN A 74 -8.917 2.217 -5.247 1.00 0.00 O ATOM 979 CB GLN A 74 -6.445 4.194 -4.490 1.00 0.00 C ATOM 980 CG GLN A 74 -6.943 3.760 -3.121 1.00 0.00 C ATOM 981 CD GLN A 74 -6.271 2.494 -2.621 1.00 0.00 C ATOM 982 OE1 GLN A 74 -5.292 2.551 -1.877 1.00 0.00 O ATOM 983 NE2 GLN A 74 -6.793 1.342 -3.028 1.00 0.00 N ATOM 0 H GLN A 74 -5.528 4.454 -6.744 1.00 0.00 H new ATOM 0 HA GLN A 74 -6.385 2.206 -5.313 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -5.368 4.353 -4.441 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -6.897 5.153 -4.743 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -6.770 4.564 -2.406 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -8.020 3.600 -3.166 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -7.605 1.340 -3.645 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -6.381 0.460 -2.724 1.00 0.00 H new ATOM 992 N LEU A 75 -8.803 3.948 -6.689 1.00 0.00 N ATOM 993 CA LEU A 75 -10.231 3.934 -6.997 1.00 0.00 C ATOM 994 C LEU A 75 -10.551 2.831 -8.005 1.00 0.00 C ATOM 995 O LEU A 75 -11.626 2.231 -7.961 1.00 0.00 O ATOM 996 CB LEU A 75 -10.673 5.293 -7.549 1.00 0.00 C ATOM 997 CG LEU A 75 -12.187 5.540 -7.540 1.00 0.00 C ATOM 998 CD1 LEU A 75 -12.502 6.923 -6.986 1.00 0.00 C ATOM 999 CD2 LEU A 75 -12.766 5.377 -8.940 1.00 0.00 C ATOM 0 H LEU A 75 -8.274 4.668 -7.181 1.00 0.00 H new ATOM 0 HA LEU A 75 -10.777 3.735 -6.075 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -10.189 6.078 -6.968 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -10.312 5.386 -8.573 1.00 0.00 H new ATOM 0 HG LEU A 75 -12.651 4.798 -6.890 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -13.581 7.079 -6.988 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -12.126 7.001 -5.966 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -12.025 7.681 -7.607 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -13.841 5.556 -8.912 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -12.296 6.093 -9.614 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -12.576 4.365 -9.297 1.00 0.00 H new ATOM 1011 N GLU A 76 -9.605 2.566 -8.909 1.00 0.00 N ATOM 1012 CA GLU A 76 -9.775 1.530 -9.927 1.00 0.00 C ATOM 1013 C GLU A 76 -9.922 0.143 -9.289 1.00 0.00 C ATOM 1014 O GLU A 76 -10.527 -0.755 -9.876 1.00 0.00 O ATOM 1015 CB GLU A 76 -8.586 1.538 -10.895 1.00 0.00 C ATOM 1016 CG GLU A 76 -8.757 2.491 -12.068 1.00 0.00 C ATOM 1017 CD GLU A 76 -9.532 1.871 -13.214 1.00 0.00 C ATOM 1018 OE1 GLU A 76 -8.901 1.229 -14.080 1.00 0.00 O ATOM 1019 OE2 GLU A 76 -10.772 2.025 -13.245 1.00 0.00 O ATOM 0 H GLU A 76 -8.712 3.057 -8.956 1.00 0.00 H new ATOM 0 HA GLU A 76 -10.689 1.749 -10.479 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -7.684 1.810 -10.346 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -8.434 0.529 -11.278 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -9.273 3.389 -11.729 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -7.775 2.802 -12.425 1.00 0.00 H new ATOM 1026 N MET A 77 -9.363 -0.022 -8.086 1.00 0.00 N ATOM 1027 CA MET A 77 -9.427 -1.294 -7.366 1.00 0.00 C ATOM 1028 C MET A 77 -10.875 -1.730 -7.125 1.00 0.00 C ATOM 1029 O MET A 77 -11.800 -0.915 -7.176 1.00 0.00 O ATOM 1030 CB MET A 77 -8.688 -1.179 -6.029 1.00 0.00 C ATOM 1031 CG MET A 77 -7.263 -1.709 -6.071 1.00 0.00 C ATOM 1032 SD MET A 77 -6.028 -0.397 -6.141 1.00 0.00 S ATOM 1033 CE MET A 77 -5.151 -0.840 -7.640 1.00 0.00 C ATOM 0 H MET A 77 -8.860 0.714 -7.590 1.00 0.00 H new ATOM 0 HA MET A 77 -8.945 -2.052 -7.984 1.00 0.00 H new ATOM 0 HB2 MET A 77 -8.668 -0.133 -5.724 1.00 0.00 H new ATOM 0 HB3 MET A 77 -9.246 -1.723 -5.267 1.00 0.00 H new ATOM 0 HG2 MET A 77 -7.083 -2.324 -5.189 1.00 0.00 H new ATOM 0 HG3 MET A 77 -7.147 -2.357 -6.940 1.00 0.00 H new ATOM 0 HE1 MET A 77 -4.353 -0.120 -7.821 1.00 0.00 H new ATOM 0 HE2 MET A 77 -4.723 -1.837 -7.530 1.00 0.00 H new ATOM 0 HE3 MET A 77 -5.843 -0.833 -8.482 1.00 0.00 H new ATOM 1043 N GLU A 78 -11.059 -3.025 -6.859 1.00 0.00 N ATOM 1044 CA GLU A 78 -12.386 -3.581 -6.606 1.00 0.00 C ATOM 1045 C GLU A 78 -12.423 -4.316 -5.262 1.00 0.00 C ATOM 1046 O GLU A 78 -12.946 -3.789 -4.280 1.00 0.00 O ATOM 1047 CB GLU A 78 -12.799 -4.519 -7.748 1.00 0.00 C ATOM 1048 CG GLU A 78 -14.191 -5.113 -7.580 1.00 0.00 C ATOM 1049 CD GLU A 78 -15.120 -4.779 -8.733 1.00 0.00 C ATOM 1050 OE1 GLU A 78 -14.755 -5.063 -9.894 1.00 0.00 O ATOM 1051 OE2 GLU A 78 -16.213 -4.233 -8.475 1.00 0.00 O ATOM 0 H GLU A 78 -10.303 -3.708 -6.814 1.00 0.00 H new ATOM 0 HA GLU A 78 -13.099 -2.758 -6.559 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -12.759 -3.971 -8.689 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -12.074 -5.330 -7.820 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -14.109 -6.196 -7.488 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -14.627 -4.746 -6.651 1.00 0.00 H new ATOM 1058 N ASP A 79 -11.868 -5.530 -5.221 1.00 0.00 N ATOM 1059 CA ASP A 79 -11.847 -6.321 -3.988 1.00 0.00 C ATOM 1060 C ASP A 79 -10.749 -7.391 -4.012 1.00 0.00 C ATOM 1061 O ASP A 79 -10.867 -8.420 -3.344 1.00 0.00 O ATOM 1062 CB ASP A 79 -13.212 -6.983 -3.762 1.00 0.00 C ATOM 1063 CG ASP A 79 -14.184 -6.086 -3.019 1.00 0.00 C ATOM 1064 OD1 ASP A 79 -13.817 -5.574 -1.940 1.00 0.00 O ATOM 1065 OD2 ASP A 79 -15.315 -5.898 -3.513 1.00 0.00 O ATOM 0 H ASP A 79 -11.430 -5.984 -6.022 1.00 0.00 H new ATOM 0 HA ASP A 79 -11.629 -5.639 -3.166 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -13.642 -7.257 -4.725 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -13.074 -7.907 -3.200 1.00 0.00 H new ATOM 1070 N GLU A 80 -9.682 -7.149 -4.776 1.00 0.00 N ATOM 1071 CA GLU A 80 -8.583 -8.107 -4.867 1.00 0.00 C ATOM 1072 C GLU A 80 -7.429 -7.549 -5.699 1.00 0.00 C ATOM 1073 O GLU A 80 -7.500 -7.522 -6.929 1.00 0.00 O ATOM 1074 CB GLU A 80 -9.081 -9.419 -5.482 1.00 0.00 C ATOM 1075 CG GLU A 80 -8.645 -10.659 -4.717 1.00 0.00 C ATOM 1076 CD GLU A 80 -8.426 -11.862 -5.616 1.00 0.00 C ATOM 1077 OE1 GLU A 80 -9.079 -11.943 -6.678 1.00 0.00 O ATOM 1078 OE2 GLU A 80 -7.600 -12.728 -5.254 1.00 0.00 O ATOM 0 H GLU A 80 -9.557 -6.305 -5.335 1.00 0.00 H new ATOM 0 HA GLU A 80 -8.215 -8.295 -3.858 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -10.170 -9.397 -5.530 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -8.718 -9.490 -6.507 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -7.723 -10.442 -4.179 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -9.400 -10.903 -3.970 1.00 0.00 H new ATOM 1085 N ASP A 81 -6.367 -7.103 -5.023 1.00 0.00 N ATOM 1086 CA ASP A 81 -5.203 -6.546 -5.712 1.00 0.00 C ATOM 1087 C ASP A 81 -3.906 -6.851 -4.960 1.00 0.00 C ATOM 1088 O ASP A 81 -3.808 -6.628 -3.752 1.00 0.00 O ATOM 1089 CB ASP A 81 -5.363 -5.032 -5.893 1.00 0.00 C ATOM 1090 CG ASP A 81 -6.406 -4.679 -6.939 1.00 0.00 C ATOM 1091 OD1 ASP A 81 -7.613 -4.705 -6.612 1.00 0.00 O ATOM 1092 OD2 ASP A 81 -6.016 -4.363 -8.082 1.00 0.00 O ATOM 0 H ASP A 81 -6.290 -7.117 -4.006 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.142 -7.019 -6.692 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -5.642 -4.583 -4.940 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -4.404 -4.600 -6.180 1.00 0.00 H new ATOM 1097 N THR A 82 -2.914 -7.364 -5.689 1.00 0.00 N ATOM 1098 CA THR A 82 -1.618 -7.708 -5.105 1.00 0.00 C ATOM 1099 C THR A 82 -0.561 -6.658 -5.439 1.00 0.00 C ATOM 1100 O THR A 82 -0.561 -6.091 -6.533 1.00 0.00 O ATOM 1101 CB THR A 82 -1.160 -9.081 -5.604 1.00 0.00 C ATOM 1102 OG1 THR A 82 -1.721 -9.376 -6.874 1.00 0.00 O ATOM 1103 CG2 THR A 82 -1.529 -10.207 -4.665 1.00 0.00 C ATOM 0 H THR A 82 -2.985 -7.551 -6.689 1.00 0.00 H new ATOM 0 HA THR A 82 -1.739 -7.738 -4.022 1.00 0.00 H new ATOM 0 HB THR A 82 -0.074 -9.016 -5.665 1.00 0.00 H new ATOM 0 HG1 THR A 82 -1.412 -10.257 -7.171 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.177 -11.153 -5.075 1.00 0.00 H new ATOM 0 HG22 THR A 82 -1.065 -10.038 -3.693 1.00 0.00 H new ATOM 0 HG23 THR A 82 -2.612 -10.243 -4.548 1.00 0.00 H new ATOM 1111 N ILE A 83 0.341 -6.408 -4.489 1.00 0.00 N ATOM 1112 CA ILE A 83 1.410 -5.426 -4.678 1.00 0.00 C ATOM 1113 C ILE A 83 2.659 -5.794 -3.878 1.00 0.00 C ATOM 1114 O ILE A 83 2.621 -6.670 -3.012 1.00 0.00 O ATOM 1115 CB ILE A 83 0.958 -4.009 -4.261 1.00 0.00 C ATOM 1116 CG1 ILE A 83 0.198 -4.057 -2.932 1.00 0.00 C ATOM 1117 CG2 ILE A 83 0.097 -3.381 -5.349 1.00 0.00 C ATOM 1118 CD1 ILE A 83 0.300 -2.781 -2.127 1.00 0.00 C ATOM 0 H ILE A 83 0.353 -6.872 -3.581 1.00 0.00 H new ATOM 0 HA ILE A 83 1.647 -5.433 -5.742 1.00 0.00 H new ATOM 0 HB ILE A 83 1.845 -3.390 -4.126 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -0.853 -4.267 -3.132 1.00 0.00 H new ATOM 0 HG13 ILE A 83 0.580 -4.885 -2.335 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -0.212 -2.383 -5.038 1.00 0.00 H new ATOM 0 HG22 ILE A 83 0.671 -3.311 -6.273 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -0.785 -3.999 -5.516 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -0.263 -2.890 -1.200 1.00 0.00 H new ATOM 0 HD12 ILE A 83 1.346 -2.580 -1.895 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -0.110 -1.953 -2.705 1.00 0.00 H new ATOM 1130 N ASP A 84 3.763 -5.106 -4.172 1.00 0.00 N ATOM 1131 CA ASP A 84 5.028 -5.338 -3.485 1.00 0.00 C ATOM 1132 C ASP A 84 5.580 -4.026 -2.935 1.00 0.00 C ATOM 1133 O ASP A 84 6.056 -3.179 -3.693 1.00 0.00 O ATOM 1134 CB ASP A 84 6.046 -5.971 -4.437 1.00 0.00 C ATOM 1135 CG ASP A 84 5.773 -7.441 -4.685 1.00 0.00 C ATOM 1136 OD1 ASP A 84 6.260 -8.277 -3.895 1.00 0.00 O ATOM 1137 OD2 ASP A 84 5.071 -7.755 -5.668 1.00 0.00 O ATOM 0 H ASP A 84 3.803 -4.379 -4.887 1.00 0.00 H new ATOM 0 HA ASP A 84 4.848 -6.023 -2.656 1.00 0.00 H new ATOM 0 HB2 ASP A 84 6.031 -5.437 -5.387 1.00 0.00 H new ATOM 0 HB3 ASP A 84 7.047 -5.856 -4.022 1.00 0.00 H new ATOM 1142 N VAL A 85 5.507 -3.858 -1.618 1.00 0.00 N ATOM 1143 CA VAL A 85 5.995 -2.643 -0.977 1.00 0.00 C ATOM 1144 C VAL A 85 7.504 -2.709 -0.741 1.00 0.00 C ATOM 1145 O VAL A 85 7.998 -3.582 -0.024 1.00 0.00 O ATOM 1146 CB VAL A 85 5.267 -2.368 0.359 1.00 0.00 C ATOM 1147 CG1 VAL A 85 5.528 -3.477 1.366 1.00 0.00 C ATOM 1148 CG2 VAL A 85 5.674 -1.013 0.925 1.00 0.00 C ATOM 0 H VAL A 85 5.115 -4.547 -0.976 1.00 0.00 H new ATOM 0 HA VAL A 85 5.781 -1.820 -1.659 1.00 0.00 H new ATOM 0 HB VAL A 85 4.196 -2.347 0.159 1.00 0.00 H new ATOM 0 HG11 VAL A 85 5.003 -3.256 2.295 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.170 -4.425 0.964 1.00 0.00 H new ATOM 0 HG13 VAL A 85 6.598 -3.547 1.561 1.00 0.00 H new ATOM 0 HG21 VAL A 85 5.150 -0.839 1.865 1.00 0.00 H new ATOM 0 HG22 VAL A 85 6.750 -1.000 1.101 1.00 0.00 H new ATOM 0 HG23 VAL A 85 5.414 -0.229 0.214 1.00 0.00 H new ATOM 1158 N PHE A 86 8.227 -1.774 -1.351 1.00 0.00 N ATOM 1159 CA PHE A 86 9.679 -1.711 -1.214 1.00 0.00 C ATOM 1160 C PHE A 86 10.073 -0.603 -0.241 1.00 0.00 C ATOM 1161 O PHE A 86 9.674 0.551 -0.410 1.00 0.00 O ATOM 1162 CB PHE A 86 10.332 -1.465 -2.577 1.00 0.00 C ATOM 1163 CG PHE A 86 10.278 -2.650 -3.498 1.00 0.00 C ATOM 1164 CD1 PHE A 86 9.103 -2.984 -4.152 1.00 0.00 C ATOM 1165 CD2 PHE A 86 11.403 -3.430 -3.712 1.00 0.00 C ATOM 1166 CE1 PHE A 86 9.051 -4.073 -5.001 1.00 0.00 C ATOM 1167 CE2 PHE A 86 11.358 -4.519 -4.560 1.00 0.00 C ATOM 1168 CZ PHE A 86 10.180 -4.841 -5.206 1.00 0.00 C ATOM 0 H PHE A 86 7.830 -1.048 -1.947 1.00 0.00 H new ATOM 0 HA PHE A 86 10.030 -2.666 -0.822 1.00 0.00 H new ATOM 0 HB2 PHE A 86 9.839 -0.620 -3.058 1.00 0.00 H new ATOM 0 HB3 PHE A 86 11.374 -1.182 -2.425 1.00 0.00 H new ATOM 0 HD1 PHE A 86 8.217 -2.386 -3.996 1.00 0.00 H new ATOM 0 HD2 PHE A 86 12.327 -3.183 -3.209 1.00 0.00 H new ATOM 0 HE1 PHE A 86 8.128 -4.323 -5.504 1.00 0.00 H new ATOM 0 HE2 PHE A 86 12.243 -5.118 -4.718 1.00 0.00 H new ATOM 0 HZ PHE A 86 10.142 -5.692 -5.870 1.00 0.00 H new ATOM 1178 N GLN A 87 10.851 -0.959 0.780 1.00 0.00 N ATOM 1179 CA GLN A 87 11.290 0.010 1.783 1.00 0.00 C ATOM 1180 C GLN A 87 12.766 -0.183 2.128 1.00 0.00 C ATOM 1181 O GLN A 87 13.115 -1.042 2.941 1.00 0.00 O ATOM 1182 CB GLN A 87 10.432 -0.107 3.048 1.00 0.00 C ATOM 1183 CG GLN A 87 9.997 -1.532 3.361 1.00 0.00 C ATOM 1184 CD GLN A 87 9.360 -1.666 4.730 1.00 0.00 C ATOM 1185 OE1 GLN A 87 8.304 -1.090 4.994 1.00 0.00 O ATOM 1186 NE2 GLN A 87 9.998 -2.430 5.610 1.00 0.00 N ATOM 0 H GLN A 87 11.190 -1.909 0.934 1.00 0.00 H new ATOM 0 HA GLN A 87 11.168 1.008 1.362 1.00 0.00 H new ATOM 0 HB2 GLN A 87 10.994 0.287 3.895 1.00 0.00 H new ATOM 0 HB3 GLN A 87 9.546 0.518 2.935 1.00 0.00 H new ATOM 0 HG2 GLN A 87 9.289 -1.866 2.602 1.00 0.00 H new ATOM 0 HG3 GLN A 87 10.862 -2.192 3.302 1.00 0.00 H new ATOM 0 HE21 GLN A 87 10.871 -2.889 5.349 1.00 0.00 H new ATOM 0 HE22 GLN A 87 9.615 -2.558 6.547 1.00 0.00 H new