USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 806 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 86 THR OG1 : rot 53:sc= 0.133 USER MOD Set 1.2: A 88 THR OG1 : rot 66:sc= 0.695 USER MOD Set 2.1: A 66 THR OG1 : rot 180:sc= 0.366 USER MOD Set 2.2: A 69 GLN : amide:sc= -0.817 X(o=-0.45,f=-0.04) USER MOD Set 3.1: A 58 THR OG1 : rot -62:sc= 1.64 USER MOD Set 3.2: A 59 GLN : amide:sc= 0.486 K(o=2.1,f=1.2) USER MOD Set 4.1: A 4 HIS : no HD1:sc= -0.351 K(o=0.6,f=-0.65) USER MOD Set 4.2: A 42 GLN : amide:sc= -0.0118 K(o=0.6,f=-0.65) USER MOD Set 4.3: A 43 THR OG1 : rot 80:sc= 0.965 USER MOD Single : A 1 MET CE :methyl -151:sc= -1.22 (180deg=-3.77!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot -80:sc= 0.0326 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=-0.061) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.426 X(o=-0.43,f=-0.015) USER MOD Single : A 28 SER OG : rot 180:sc= -0.0908 USER MOD Single : A 30 GLN : amide:sc=-0.00632 X(o=-0.0063,f=-0.0063) USER MOD Single : A 37 LYS NZ :NH3+ 143:sc= 0.769 (180deg=0.118) USER MOD Single : A 39 THR OG1 : rot 84:sc= 0.0728 USER MOD Single : A 55 CYS SG : rot -5:sc= 0.758 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 70 LYS NZ :NH3+ -169:sc= 1.37 (180deg=1.11) USER MOD Single : A 72 THR OG1 : rot 74:sc= 1.21 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0.351 USER MOD Single : A 78 GLN : amide:sc= -0.294 X(o=-0.29,f=-0.014) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 97 GLN :FLIP amide:sc=-1.26e-05 F(o=-0.67,f=-1.3e-05) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.658 -5.445 7.436 1.00 0.00 N ATOM 2 CA MET A 1 7.110 -5.240 6.042 1.00 0.00 C ATOM 3 C MET A 1 7.611 -6.572 5.464 1.00 0.00 C ATOM 4 O MET A 1 8.470 -7.227 6.064 1.00 0.00 O ATOM 5 CB MET A 1 8.207 -4.132 6.000 1.00 0.00 C ATOM 6 CG MET A 1 8.882 -3.896 4.630 1.00 0.00 C ATOM 7 SD MET A 1 10.027 -5.211 4.151 1.00 0.00 S ATOM 8 CE MET A 1 10.770 -4.522 2.680 1.00 0.00 C ATOM 0 H1 MET A 1 6.319 -4.543 7.827 1.00 0.00 H new ATOM 0 H2 MET A 1 5.886 -6.141 7.452 1.00 0.00 H new ATOM 0 H3 MET A 1 7.451 -5.795 8.010 1.00 0.00 H new ATOM 0 HA MET A 1 6.279 -4.901 5.424 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.760 -3.194 6.328 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.981 -4.387 6.724 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.111 -3.801 3.866 1.00 0.00 H new ATOM 0 HG3 MET A 1 9.421 -2.949 4.658 1.00 0.00 H new ATOM 0 HE1 MET A 1 11.069 -5.329 2.011 1.00 0.00 H new ATOM 0 HE2 MET A 1 10.049 -3.880 2.174 1.00 0.00 H new ATOM 0 HE3 MET A 1 11.647 -3.936 2.956 1.00 0.00 H new ATOM 18 N LEU A 2 7.053 -6.972 4.308 1.00 0.00 N ATOM 19 CA LEU A 2 7.497 -8.162 3.559 1.00 0.00 C ATOM 20 C LEU A 2 7.797 -7.772 2.112 1.00 0.00 C ATOM 21 O LEU A 2 7.137 -6.886 1.549 1.00 0.00 O ATOM 22 CB LEU A 2 6.444 -9.314 3.667 1.00 0.00 C ATOM 23 CG LEU A 2 4.941 -8.993 3.336 1.00 0.00 C ATOM 24 CD1 LEU A 2 4.658 -8.871 1.828 1.00 0.00 C ATOM 25 CD2 LEU A 2 3.996 -10.037 3.968 1.00 0.00 C ATOM 0 H LEU A 2 6.279 -6.478 3.865 1.00 0.00 H new ATOM 0 HA LEU A 2 8.418 -8.548 3.997 1.00 0.00 H new ATOM 0 HB2 LEU A 2 6.764 -10.118 3.005 1.00 0.00 H new ATOM 0 HB3 LEU A 2 6.483 -9.704 4.684 1.00 0.00 H new ATOM 0 HG LEU A 2 4.746 -8.015 3.775 1.00 0.00 H new ATOM 0 HD11 LEU A 2 3.602 -8.649 1.673 1.00 0.00 H new ATOM 0 HD12 LEU A 2 5.263 -8.068 1.408 1.00 0.00 H new ATOM 0 HD13 LEU A 2 4.908 -9.810 1.334 1.00 0.00 H new ATOM 0 HD21 LEU A 2 2.963 -9.789 3.722 1.00 0.00 H new ATOM 0 HD22 LEU A 2 4.234 -11.027 3.578 1.00 0.00 H new ATOM 0 HD23 LEU A 2 4.122 -10.034 5.051 1.00 0.00 H new ATOM 37 N LEU A 3 8.808 -8.421 1.531 1.00 0.00 N ATOM 38 CA LEU A 3 9.278 -8.166 0.166 1.00 0.00 C ATOM 39 C LEU A 3 8.225 -8.625 -0.855 1.00 0.00 C ATOM 40 O LEU A 3 8.070 -9.827 -1.097 1.00 0.00 O ATOM 41 CB LEU A 3 10.649 -8.887 -0.063 1.00 0.00 C ATOM 42 CG LEU A 3 11.910 -8.283 0.663 1.00 0.00 C ATOM 43 CD1 LEU A 3 11.722 -8.126 2.187 1.00 0.00 C ATOM 44 CD2 LEU A 3 13.176 -9.122 0.355 1.00 0.00 C ATOM 0 H LEU A 3 9.335 -9.154 2.006 1.00 0.00 H new ATOM 0 HA LEU A 3 9.427 -7.095 0.028 1.00 0.00 H new ATOM 0 HB2 LEU A 3 10.542 -9.925 0.253 1.00 0.00 H new ATOM 0 HB3 LEU A 3 10.850 -8.899 -1.134 1.00 0.00 H new ATOM 0 HG LEU A 3 12.039 -7.277 0.263 1.00 0.00 H new ATOM 0 HD11 LEU A 3 12.628 -7.705 2.624 1.00 0.00 H new ATOM 0 HD12 LEU A 3 10.881 -7.461 2.383 1.00 0.00 H new ATOM 0 HD13 LEU A 3 11.524 -9.101 2.632 1.00 0.00 H new ATOM 0 HD21 LEU A 3 14.034 -8.687 0.867 1.00 0.00 H new ATOM 0 HD22 LEU A 3 13.028 -10.145 0.701 1.00 0.00 H new ATOM 0 HD23 LEU A 3 13.358 -9.125 -0.720 1.00 0.00 H new ATOM 56 N HIS A 4 7.468 -7.640 -1.397 1.00 0.00 N ATOM 57 CA HIS A 4 6.448 -7.835 -2.463 1.00 0.00 C ATOM 58 C HIS A 4 6.944 -8.731 -3.620 1.00 0.00 C ATOM 59 O HIS A 4 6.155 -9.460 -4.232 1.00 0.00 O ATOM 60 CB HIS A 4 6.001 -6.454 -3.018 1.00 0.00 C ATOM 61 CG HIS A 4 5.288 -5.554 -2.033 1.00 0.00 C ATOM 62 ND1 HIS A 4 5.147 -5.839 -0.684 1.00 0.00 N ATOM 63 CD2 HIS A 4 4.697 -4.345 -2.215 1.00 0.00 C ATOM 64 CE1 HIS A 4 4.490 -4.856 -0.097 1.00 0.00 C ATOM 65 NE2 HIS A 4 4.208 -3.943 -1.000 1.00 0.00 N ATOM 0 H HIS A 4 7.549 -6.667 -1.101 1.00 0.00 H new ATOM 0 HA HIS A 4 5.604 -8.351 -2.006 1.00 0.00 H new ATOM 0 HB2 HIS A 4 6.881 -5.930 -3.390 1.00 0.00 H new ATOM 0 HB3 HIS A 4 5.344 -6.621 -3.872 1.00 0.00 H new ATOM 0 HD2 HIS A 4 4.626 -3.801 -3.145 1.00 0.00 H new ATOM 0 HE1 HIS A 4 4.228 -4.810 0.950 1.00 0.00 H new ATOM 0 HE2 HIS A 4 3.705 -3.073 -0.824 1.00 0.00 H new ATOM 74 N SER A 5 8.252 -8.670 -3.890 1.00 0.00 N ATOM 75 CA SER A 5 8.925 -9.520 -4.877 1.00 0.00 C ATOM 76 C SER A 5 10.408 -9.614 -4.506 1.00 0.00 C ATOM 77 O SER A 5 11.048 -8.593 -4.257 1.00 0.00 O ATOM 78 CB SER A 5 8.744 -8.949 -6.306 1.00 0.00 C ATOM 79 OG SER A 5 9.367 -9.772 -7.288 1.00 0.00 O ATOM 0 H SER A 5 8.882 -8.019 -3.422 1.00 0.00 H new ATOM 0 HA SER A 5 8.484 -10.517 -4.869 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.681 -8.858 -6.529 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.166 -7.945 -6.352 1.00 0.00 H new ATOM 0 HG SER A 5 9.231 -9.382 -8.176 1.00 0.00 H new ATOM 85 N VAL A 6 10.933 -10.844 -4.445 1.00 0.00 N ATOM 86 CA VAL A 6 12.365 -11.110 -4.207 1.00 0.00 C ATOM 87 C VAL A 6 12.848 -12.179 -5.199 1.00 0.00 C ATOM 88 O VAL A 6 12.103 -13.111 -5.534 1.00 0.00 O ATOM 89 CB VAL A 6 12.656 -11.559 -2.713 1.00 0.00 C ATOM 90 CG1 VAL A 6 11.975 -12.907 -2.357 1.00 0.00 C ATOM 91 CG2 VAL A 6 14.185 -11.596 -2.417 1.00 0.00 C ATOM 0 H VAL A 6 10.376 -11.691 -4.560 1.00 0.00 H new ATOM 0 HA VAL A 6 12.914 -10.182 -4.363 1.00 0.00 H new ATOM 0 HB VAL A 6 12.211 -10.803 -2.066 1.00 0.00 H new ATOM 0 HG11 VAL A 6 12.205 -13.169 -1.324 1.00 0.00 H new ATOM 0 HG12 VAL A 6 10.896 -12.812 -2.475 1.00 0.00 H new ATOM 0 HG13 VAL A 6 12.345 -13.688 -3.021 1.00 0.00 H new ATOM 0 HG21 VAL A 6 14.348 -11.907 -1.385 1.00 0.00 H new ATOM 0 HG22 VAL A 6 14.669 -12.303 -3.091 1.00 0.00 H new ATOM 0 HG23 VAL A 6 14.609 -10.603 -2.568 1.00 0.00 H new ATOM 101 N GLU A 7 14.080 -12.018 -5.697 1.00 0.00 N ATOM 102 CA GLU A 7 14.705 -13.008 -6.578 1.00 0.00 C ATOM 103 C GLU A 7 15.436 -14.054 -5.723 1.00 0.00 C ATOM 104 O GLU A 7 16.211 -13.709 -4.836 1.00 0.00 O ATOM 105 CB GLU A 7 15.661 -12.318 -7.580 1.00 0.00 C ATOM 106 CG GLU A 7 16.216 -13.261 -8.666 1.00 0.00 C ATOM 107 CD GLU A 7 16.905 -12.514 -9.818 1.00 0.00 C ATOM 108 OE1 GLU A 7 16.184 -11.938 -10.660 1.00 0.00 O ATOM 109 OE2 GLU A 7 18.155 -12.506 -9.899 1.00 0.00 O ATOM 0 H GLU A 7 14.666 -11.206 -5.502 1.00 0.00 H new ATOM 0 HA GLU A 7 13.938 -13.514 -7.164 1.00 0.00 H new ATOM 0 HB2 GLU A 7 15.133 -11.495 -8.062 1.00 0.00 H new ATOM 0 HB3 GLU A 7 16.495 -11.883 -7.030 1.00 0.00 H new ATOM 0 HG2 GLU A 7 16.927 -13.950 -8.211 1.00 0.00 H new ATOM 0 HG3 GLU A 7 15.401 -13.863 -9.067 1.00 0.00 H new ATOM 116 N THR A 8 15.157 -15.331 -5.976 1.00 0.00 N ATOM 117 CA THR A 8 15.721 -16.457 -5.220 1.00 0.00 C ATOM 118 C THR A 8 16.535 -17.365 -6.176 1.00 0.00 C ATOM 119 O THR A 8 16.283 -17.352 -7.383 1.00 0.00 O ATOM 120 CB THR A 8 14.564 -17.268 -4.545 1.00 0.00 C ATOM 121 OG1 THR A 8 13.639 -17.732 -5.542 1.00 0.00 O ATOM 122 CG2 THR A 8 13.805 -16.423 -3.505 1.00 0.00 C ATOM 0 H THR A 8 14.524 -15.621 -6.722 1.00 0.00 H new ATOM 0 HA THR A 8 16.385 -16.082 -4.441 1.00 0.00 H new ATOM 0 HB THR A 8 15.018 -18.116 -4.032 1.00 0.00 H new ATOM 0 HG1 THR A 8 13.033 -17.003 -5.790 1.00 0.00 H new ATOM 0 HG21 THR A 8 13.010 -17.022 -3.060 1.00 0.00 H new ATOM 0 HG22 THR A 8 14.495 -16.099 -2.726 1.00 0.00 H new ATOM 0 HG23 THR A 8 13.371 -15.550 -3.992 1.00 0.00 H new ATOM 130 N PRO A 9 17.560 -18.125 -5.675 1.00 0.00 N ATOM 131 CA PRO A 9 18.210 -19.224 -6.448 1.00 0.00 C ATOM 132 C PRO A 9 17.204 -20.240 -7.068 1.00 0.00 C ATOM 133 O PRO A 9 17.474 -20.812 -8.130 1.00 0.00 O ATOM 134 CB PRO A 9 19.122 -19.902 -5.396 1.00 0.00 C ATOM 135 CG PRO A 9 19.480 -18.790 -4.456 1.00 0.00 C ATOM 136 CD PRO A 9 18.249 -17.901 -4.376 1.00 0.00 C ATOM 0 HA PRO A 9 18.745 -18.840 -7.317 1.00 0.00 H new ATOM 0 HB2 PRO A 9 18.604 -20.710 -4.880 1.00 0.00 H new ATOM 0 HB3 PRO A 9 20.009 -20.336 -5.857 1.00 0.00 H new ATOM 0 HG2 PRO A 9 19.745 -19.179 -3.473 1.00 0.00 H new ATOM 0 HG3 PRO A 9 20.342 -18.232 -4.821 1.00 0.00 H new ATOM 0 HD2 PRO A 9 17.613 -18.174 -3.534 1.00 0.00 H new ATOM 0 HD3 PRO A 9 18.521 -16.854 -4.243 1.00 0.00 H new ATOM 144 N ARG A 10 16.047 -20.456 -6.385 1.00 0.00 N ATOM 145 CA ARG A 10 14.971 -21.357 -6.878 1.00 0.00 C ATOM 146 C ARG A 10 14.069 -20.671 -7.927 1.00 0.00 C ATOM 147 O ARG A 10 13.348 -21.354 -8.665 1.00 0.00 O ATOM 148 CB ARG A 10 14.137 -21.947 -5.692 1.00 0.00 C ATOM 149 CG ARG A 10 13.398 -20.931 -4.773 1.00 0.00 C ATOM 150 CD ARG A 10 12.725 -21.603 -3.562 1.00 0.00 C ATOM 151 NE ARG A 10 11.704 -22.603 -3.952 1.00 0.00 N ATOM 152 CZ ARG A 10 11.651 -23.875 -3.507 1.00 0.00 C ATOM 153 NH1 ARG A 10 12.598 -24.358 -2.711 1.00 0.00 N ATOM 154 NH2 ARG A 10 10.659 -24.665 -3.894 1.00 0.00 N ATOM 0 H ARG A 10 15.836 -20.016 -5.489 1.00 0.00 H new ATOM 0 HA ARG A 10 15.458 -22.190 -7.385 1.00 0.00 H new ATOM 0 HB2 ARG A 10 13.396 -22.630 -6.106 1.00 0.00 H new ATOM 0 HB3 ARG A 10 14.806 -22.542 -5.070 1.00 0.00 H new ATOM 0 HG2 ARG A 10 14.109 -20.184 -4.420 1.00 0.00 H new ATOM 0 HG3 ARG A 10 12.643 -20.403 -5.356 1.00 0.00 H new ATOM 0 HD2 ARG A 10 13.487 -22.088 -2.952 1.00 0.00 H new ATOM 0 HD3 ARG A 10 12.259 -20.838 -2.941 1.00 0.00 H new ATOM 0 HE ARG A 10 10.983 -22.306 -4.610 1.00 0.00 H new ATOM 0 HH11 ARG A 10 13.378 -23.765 -2.429 1.00 0.00 H new ATOM 0 HH12 ARG A 10 12.545 -25.322 -2.382 1.00 0.00 H new ATOM 0 HH21 ARG A 10 9.941 -24.310 -4.525 1.00 0.00 H new ATOM 0 HH22 ARG A 10 10.614 -25.628 -3.560 1.00 0.00 H new ATOM 168 N GLY A 11 14.124 -19.327 -8.001 1.00 0.00 N ATOM 169 CA GLY A 11 13.423 -18.567 -9.048 1.00 0.00 C ATOM 170 C GLY A 11 13.060 -17.155 -8.602 1.00 0.00 C ATOM 171 O GLY A 11 13.935 -16.306 -8.449 1.00 0.00 O ATOM 0 H GLY A 11 14.648 -18.747 -7.346 1.00 0.00 H new ATOM 0 HA2 GLY A 11 14.052 -18.513 -9.936 1.00 0.00 H new ATOM 0 HA3 GLY A 11 12.515 -19.099 -9.332 1.00 0.00 H new ATOM 175 N GLU A 12 11.755 -16.903 -8.428 1.00 0.00 N ATOM 176 CA GLU A 12 11.218 -15.657 -7.849 1.00 0.00 C ATOM 177 C GLU A 12 10.107 -16.023 -6.859 1.00 0.00 C ATOM 178 O GLU A 12 9.326 -16.943 -7.120 1.00 0.00 O ATOM 179 CB GLU A 12 10.653 -14.750 -8.978 1.00 0.00 C ATOM 180 CG GLU A 12 9.979 -13.444 -8.497 1.00 0.00 C ATOM 181 CD GLU A 12 9.233 -12.695 -9.623 1.00 0.00 C ATOM 182 OE1 GLU A 12 8.128 -13.134 -10.007 1.00 0.00 O ATOM 183 OE2 GLU A 12 9.745 -11.667 -10.130 1.00 0.00 O ATOM 0 H GLU A 12 11.028 -17.569 -8.689 1.00 0.00 H new ATOM 0 HA GLU A 12 12.008 -15.112 -7.333 1.00 0.00 H new ATOM 0 HB2 GLU A 12 11.466 -14.492 -9.656 1.00 0.00 H new ATOM 0 HB3 GLU A 12 9.927 -15.324 -9.554 1.00 0.00 H new ATOM 0 HG2 GLU A 12 9.276 -13.678 -7.698 1.00 0.00 H new ATOM 0 HG3 GLU A 12 10.737 -12.786 -8.072 1.00 0.00 H new ATOM 190 N ILE A 13 10.037 -15.294 -5.735 1.00 0.00 N ATOM 191 CA ILE A 13 9.050 -15.519 -4.667 1.00 0.00 C ATOM 192 C ILE A 13 8.373 -14.174 -4.351 1.00 0.00 C ATOM 193 O ILE A 13 9.038 -13.192 -3.996 1.00 0.00 O ATOM 194 CB ILE A 13 9.688 -16.153 -3.367 1.00 0.00 C ATOM 195 CG1 ILE A 13 10.417 -17.501 -3.688 1.00 0.00 C ATOM 196 CG2 ILE A 13 8.611 -16.368 -2.273 1.00 0.00 C ATOM 197 CD1 ILE A 13 9.539 -18.606 -4.250 1.00 0.00 C ATOM 0 H ILE A 13 10.673 -14.521 -5.539 1.00 0.00 H new ATOM 0 HA ILE A 13 8.315 -16.244 -5.017 1.00 0.00 H new ATOM 0 HB ILE A 13 10.431 -15.450 -2.989 1.00 0.00 H new ATOM 0 HG12 ILE A 13 11.217 -17.300 -4.400 1.00 0.00 H new ATOM 0 HG13 ILE A 13 10.888 -17.865 -2.775 1.00 0.00 H new ATOM 0 HG21 ILE A 13 9.073 -16.805 -1.388 1.00 0.00 H new ATOM 0 HG22 ILE A 13 8.161 -15.410 -2.012 1.00 0.00 H new ATOM 0 HG23 ILE A 13 7.840 -17.040 -2.649 1.00 0.00 H new ATOM 0 HD11 ILE A 13 10.145 -19.493 -4.436 1.00 0.00 H new ATOM 0 HD12 ILE A 13 8.754 -18.846 -3.534 1.00 0.00 H new ATOM 0 HD13 ILE A 13 9.088 -18.272 -5.185 1.00 0.00 H new ATOM 209 N LEU A 14 7.051 -14.141 -4.523 1.00 0.00 N ATOM 210 CA LEU A 14 6.236 -12.930 -4.407 1.00 0.00 C ATOM 211 C LEU A 14 5.593 -12.844 -3.016 1.00 0.00 C ATOM 212 O LEU A 14 4.886 -13.769 -2.608 1.00 0.00 O ATOM 213 CB LEU A 14 5.149 -12.944 -5.516 1.00 0.00 C ATOM 214 CG LEU A 14 5.690 -12.930 -6.985 1.00 0.00 C ATOM 215 CD1 LEU A 14 4.549 -13.064 -8.015 1.00 0.00 C ATOM 216 CD2 LEU A 14 6.522 -11.655 -7.242 1.00 0.00 C ATOM 0 H LEU A 14 6.505 -14.972 -4.751 1.00 0.00 H new ATOM 0 HA LEU A 14 6.869 -12.052 -4.534 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.530 -13.831 -5.383 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.501 -12.079 -5.377 1.00 0.00 H new ATOM 0 HG LEU A 14 6.339 -13.797 -7.109 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.965 -13.050 -9.022 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.021 -14.004 -7.853 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.854 -12.233 -7.898 1.00 0.00 H new ATOM 0 HD21 LEU A 14 6.890 -11.662 -8.268 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.897 -10.775 -7.086 1.00 0.00 H new ATOM 0 HD23 LEU A 14 7.367 -11.627 -6.553 1.00 0.00 H new ATOM 228 N ASN A 15 5.861 -11.719 -2.316 1.00 0.00 N ATOM 229 CA ASN A 15 5.255 -11.358 -1.020 1.00 0.00 C ATOM 230 C ASN A 15 5.728 -12.307 0.095 1.00 0.00 C ATOM 231 O ASN A 15 5.013 -13.239 0.486 1.00 0.00 O ATOM 232 CB ASN A 15 3.698 -11.271 -1.082 1.00 0.00 C ATOM 233 CG ASN A 15 3.187 -10.370 -2.216 1.00 0.00 C ATOM 234 OD1 ASN A 15 3.091 -9.157 -2.063 1.00 0.00 O ATOM 235 ND2 ASN A 15 2.835 -10.963 -3.350 1.00 0.00 N ATOM 0 H ASN A 15 6.524 -11.019 -2.649 1.00 0.00 H new ATOM 0 HA ASN A 15 5.603 -10.354 -0.779 1.00 0.00 H new ATOM 0 HB2 ASN A 15 3.289 -12.273 -1.211 1.00 0.00 H new ATOM 0 HB3 ASN A 15 3.323 -10.894 -0.130 1.00 0.00 H new ATOM 0 HD21 ASN A 15 2.473 -10.407 -4.125 1.00 0.00 H new ATOM 0 HD22 ASN A 15 2.927 -11.974 -3.447 1.00 0.00 H new ATOM 242 N VAL A 16 6.968 -12.095 0.566 1.00 0.00 N ATOM 243 CA VAL A 16 7.565 -12.904 1.644 1.00 0.00 C ATOM 244 C VAL A 16 8.522 -12.049 2.501 1.00 0.00 C ATOM 245 O VAL A 16 9.236 -11.190 1.975 1.00 0.00 O ATOM 246 CB VAL A 16 8.324 -14.165 1.073 1.00 0.00 C ATOM 247 CG1 VAL A 16 9.484 -13.774 0.123 1.00 0.00 C ATOM 248 CG2 VAL A 16 8.828 -15.091 2.213 1.00 0.00 C ATOM 0 H VAL A 16 7.583 -11.362 0.213 1.00 0.00 H new ATOM 0 HA VAL A 16 6.750 -13.260 2.274 1.00 0.00 H new ATOM 0 HB VAL A 16 7.598 -14.722 0.481 1.00 0.00 H new ATOM 0 HG11 VAL A 16 9.974 -14.676 -0.243 1.00 0.00 H new ATOM 0 HG12 VAL A 16 9.088 -13.208 -0.721 1.00 0.00 H new ATOM 0 HG13 VAL A 16 10.206 -13.162 0.663 1.00 0.00 H new ATOM 0 HG21 VAL A 16 9.346 -15.949 1.783 1.00 0.00 H new ATOM 0 HG22 VAL A 16 9.514 -14.538 2.855 1.00 0.00 H new ATOM 0 HG23 VAL A 16 7.979 -15.438 2.802 1.00 0.00 H new ATOM 258 N SER A 17 8.512 -12.283 3.824 1.00 0.00 N ATOM 259 CA SER A 17 9.403 -11.601 4.773 1.00 0.00 C ATOM 260 C SER A 17 10.864 -12.043 4.583 1.00 0.00 C ATOM 261 O SER A 17 11.122 -13.139 4.088 1.00 0.00 O ATOM 262 CB SER A 17 8.931 -11.907 6.207 1.00 0.00 C ATOM 263 OG SER A 17 9.737 -11.259 7.169 1.00 0.00 O ATOM 0 H SER A 17 7.883 -12.953 4.265 1.00 0.00 H new ATOM 0 HA SER A 17 9.361 -10.527 4.590 1.00 0.00 H new ATOM 0 HB2 SER A 17 7.895 -11.589 6.325 1.00 0.00 H new ATOM 0 HB3 SER A 17 8.955 -12.983 6.377 1.00 0.00 H new ATOM 0 HG SER A 17 9.410 -11.473 8.068 1.00 0.00 H new ATOM 269 N GLU A 18 11.800 -11.173 5.009 1.00 0.00 N ATOM 270 CA GLU A 18 13.256 -11.418 4.923 1.00 0.00 C ATOM 271 C GLU A 18 13.656 -12.739 5.602 1.00 0.00 C ATOM 272 O GLU A 18 14.465 -13.486 5.054 1.00 0.00 O ATOM 273 CB GLU A 18 14.034 -10.249 5.572 1.00 0.00 C ATOM 274 CG GLU A 18 13.909 -8.915 4.829 1.00 0.00 C ATOM 275 CD GLU A 18 14.644 -7.768 5.532 1.00 0.00 C ATOM 276 OE1 GLU A 18 15.892 -7.708 5.448 1.00 0.00 O ATOM 277 OE2 GLU A 18 13.982 -6.935 6.189 1.00 0.00 O ATOM 0 H GLU A 18 11.567 -10.272 5.426 1.00 0.00 H new ATOM 0 HA GLU A 18 13.511 -11.490 3.866 1.00 0.00 H new ATOM 0 HB2 GLU A 18 13.680 -10.116 6.594 1.00 0.00 H new ATOM 0 HB3 GLU A 18 15.088 -10.520 5.633 1.00 0.00 H new ATOM 0 HG2 GLU A 18 14.305 -9.029 3.820 1.00 0.00 H new ATOM 0 HG3 GLU A 18 12.854 -8.657 4.730 1.00 0.00 H new ATOM 284 N GLN A 19 13.054 -13.021 6.780 1.00 0.00 N ATOM 285 CA GLN A 19 13.380 -14.219 7.575 1.00 0.00 C ATOM 286 C GLN A 19 13.004 -15.496 6.809 1.00 0.00 C ATOM 287 O GLN A 19 13.865 -16.330 6.553 1.00 0.00 O ATOM 288 CB GLN A 19 12.674 -14.186 8.956 1.00 0.00 C ATOM 289 CG GLN A 19 12.964 -15.416 9.856 1.00 0.00 C ATOM 290 CD GLN A 19 14.450 -15.583 10.209 1.00 0.00 C ATOM 291 OE1 GLN A 19 14.916 -15.060 11.224 1.00 0.00 O ATOM 292 NE2 GLN A 19 15.199 -16.301 9.373 1.00 0.00 N ATOM 0 H GLN A 19 12.337 -12.429 7.200 1.00 0.00 H new ATOM 0 HA GLN A 19 14.456 -14.222 7.748 1.00 0.00 H new ATOM 0 HB2 GLN A 19 12.981 -13.284 9.485 1.00 0.00 H new ATOM 0 HB3 GLN A 19 11.598 -14.113 8.798 1.00 0.00 H new ATOM 0 HG2 GLN A 19 12.388 -15.326 10.777 1.00 0.00 H new ATOM 0 HG3 GLN A 19 12.616 -16.316 9.350 1.00 0.00 H new ATOM 0 HE21 GLN A 19 14.779 -16.719 8.543 1.00 0.00 H new ATOM 0 HE22 GLN A 19 16.192 -16.433 9.563 1.00 0.00 H new ATOM 301 N GLU A 20 11.716 -15.612 6.439 1.00 0.00 N ATOM 302 CA GLU A 20 11.167 -16.798 5.746 1.00 0.00 C ATOM 303 C GLU A 20 11.862 -17.013 4.387 1.00 0.00 C ATOM 304 O GLU A 20 12.199 -18.142 4.030 1.00 0.00 O ATOM 305 CB GLU A 20 9.633 -16.643 5.574 1.00 0.00 C ATOM 306 CG GLU A 20 8.928 -17.826 4.869 1.00 0.00 C ATOM 307 CD GLU A 20 7.393 -17.705 4.885 1.00 0.00 C ATOM 308 OE1 GLU A 20 6.773 -18.009 5.926 1.00 0.00 O ATOM 309 OE2 GLU A 20 6.798 -17.299 3.870 1.00 0.00 O ATOM 0 H GLU A 20 11.022 -14.885 6.612 1.00 0.00 H new ATOM 0 HA GLU A 20 11.360 -17.682 6.354 1.00 0.00 H new ATOM 0 HB2 GLU A 20 9.185 -16.508 6.558 1.00 0.00 H new ATOM 0 HB3 GLU A 20 9.437 -15.733 5.007 1.00 0.00 H new ATOM 0 HG2 GLU A 20 9.272 -17.884 3.836 1.00 0.00 H new ATOM 0 HG3 GLU A 20 9.219 -18.757 5.355 1.00 0.00 H new ATOM 316 N ALA A 21 12.024 -15.916 3.632 1.00 0.00 N ATOM 317 CA ALA A 21 12.806 -15.900 2.383 1.00 0.00 C ATOM 318 C ALA A 21 14.214 -16.541 2.547 1.00 0.00 C ATOM 319 O ALA A 21 14.524 -17.527 1.875 1.00 0.00 O ATOM 320 CB ALA A 21 12.899 -14.464 1.865 1.00 0.00 C ATOM 0 H ALA A 21 11.616 -15.012 3.870 1.00 0.00 H new ATOM 0 HA ALA A 21 12.286 -16.516 1.649 1.00 0.00 H new ATOM 0 HB1 ALA A 21 13.477 -14.447 0.941 1.00 0.00 H new ATOM 0 HB2 ALA A 21 11.897 -14.081 1.673 1.00 0.00 H new ATOM 0 HB3 ALA A 21 13.390 -13.839 2.611 1.00 0.00 H new ATOM 326 N ARG A 22 15.024 -16.015 3.483 1.00 0.00 N ATOM 327 CA ARG A 22 16.419 -16.488 3.716 1.00 0.00 C ATOM 328 C ARG A 22 16.458 -17.923 4.289 1.00 0.00 C ATOM 329 O ARG A 22 17.335 -18.714 3.937 1.00 0.00 O ATOM 330 CB ARG A 22 17.171 -15.520 4.686 1.00 0.00 C ATOM 331 CG ARG A 22 17.474 -14.125 4.102 1.00 0.00 C ATOM 332 CD ARG A 22 18.066 -13.149 5.140 1.00 0.00 C ATOM 333 NE ARG A 22 19.341 -13.629 5.713 1.00 0.00 N ATOM 334 CZ ARG A 22 19.762 -13.399 6.970 1.00 0.00 C ATOM 335 NH1 ARG A 22 19.021 -12.695 7.828 1.00 0.00 N ATOM 336 NH2 ARG A 22 20.929 -13.886 7.359 1.00 0.00 N ATOM 0 H ARG A 22 14.741 -15.254 4.101 1.00 0.00 H new ATOM 0 HA ARG A 22 16.917 -16.497 2.747 1.00 0.00 H new ATOM 0 HB2 ARG A 22 16.574 -15.398 5.590 1.00 0.00 H new ATOM 0 HB3 ARG A 22 18.110 -15.985 4.985 1.00 0.00 H new ATOM 0 HG2 ARG A 22 18.172 -14.229 3.271 1.00 0.00 H new ATOM 0 HG3 ARG A 22 16.556 -13.701 3.696 1.00 0.00 H new ATOM 0 HD2 ARG A 22 18.226 -12.179 4.670 1.00 0.00 H new ATOM 0 HD3 ARG A 22 17.345 -12.999 5.944 1.00 0.00 H new ATOM 0 HE ARG A 22 19.950 -14.178 5.107 1.00 0.00 H new ATOM 0 HH11 ARG A 22 18.119 -12.321 7.535 1.00 0.00 H new ATOM 0 HH12 ARG A 22 19.357 -12.531 8.777 1.00 0.00 H new ATOM 0 HH21 ARG A 22 21.498 -14.428 6.709 1.00 0.00 H new ATOM 0 HH22 ARG A 22 21.260 -13.719 8.309 1.00 0.00 H new ATOM 350 N ASP A 23 15.502 -18.234 5.172 1.00 0.00 N ATOM 351 CA ASP A 23 15.484 -19.494 5.944 1.00 0.00 C ATOM 352 C ASP A 23 14.959 -20.663 5.085 1.00 0.00 C ATOM 353 O ASP A 23 15.677 -21.634 4.825 1.00 0.00 O ATOM 354 CB ASP A 23 14.605 -19.299 7.217 1.00 0.00 C ATOM 355 CG ASP A 23 14.534 -20.543 8.118 1.00 0.00 C ATOM 356 OD1 ASP A 23 13.687 -21.430 7.867 1.00 0.00 O ATOM 357 OD2 ASP A 23 15.330 -20.643 9.077 1.00 0.00 O ATOM 0 H ASP A 23 14.713 -17.620 5.376 1.00 0.00 H new ATOM 0 HA ASP A 23 16.501 -19.745 6.244 1.00 0.00 H new ATOM 0 HB2 ASP A 23 15.001 -18.464 7.796 1.00 0.00 H new ATOM 0 HB3 ASP A 23 13.595 -19.025 6.912 1.00 0.00 H new ATOM 362 N VAL A 24 13.696 -20.533 4.655 1.00 0.00 N ATOM 363 CA VAL A 24 12.944 -21.594 3.963 1.00 0.00 C ATOM 364 C VAL A 24 13.376 -21.720 2.492 1.00 0.00 C ATOM 365 O VAL A 24 13.885 -22.761 2.069 1.00 0.00 O ATOM 366 CB VAL A 24 11.395 -21.300 4.059 1.00 0.00 C ATOM 367 CG1 VAL A 24 10.561 -22.423 3.409 1.00 0.00 C ATOM 368 CG2 VAL A 24 10.959 -21.055 5.531 1.00 0.00 C ATOM 0 H VAL A 24 13.158 -19.675 4.779 1.00 0.00 H new ATOM 0 HA VAL A 24 13.162 -22.543 4.453 1.00 0.00 H new ATOM 0 HB VAL A 24 11.202 -20.386 3.498 1.00 0.00 H new ATOM 0 HG11 VAL A 24 9.501 -22.185 3.495 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.829 -22.512 2.356 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.763 -23.366 3.916 1.00 0.00 H new ATOM 0 HG21 VAL A 24 9.888 -20.855 5.565 1.00 0.00 H new ATOM 0 HG22 VAL A 24 11.182 -21.939 6.129 1.00 0.00 H new ATOM 0 HG23 VAL A 24 11.501 -20.199 5.933 1.00 0.00 H new ATOM 378 N PHE A 25 13.186 -20.634 1.736 1.00 0.00 N ATOM 379 CA PHE A 25 13.466 -20.590 0.285 1.00 0.00 C ATOM 380 C PHE A 25 14.973 -20.621 0.023 1.00 0.00 C ATOM 381 O PHE A 25 15.423 -21.248 -0.933 1.00 0.00 O ATOM 382 CB PHE A 25 12.811 -19.328 -0.332 1.00 0.00 C ATOM 383 CG PHE A 25 11.293 -19.298 -0.137 1.00 0.00 C ATOM 384 CD1 PHE A 25 10.453 -20.026 -0.978 1.00 0.00 C ATOM 385 CD2 PHE A 25 10.710 -18.560 0.890 1.00 0.00 C ATOM 386 CE1 PHE A 25 9.085 -20.017 -0.798 1.00 0.00 C ATOM 387 CE2 PHE A 25 9.341 -18.554 1.068 1.00 0.00 C ATOM 388 CZ PHE A 25 8.530 -19.279 0.222 1.00 0.00 C ATOM 0 H PHE A 25 12.832 -19.753 2.109 1.00 0.00 H new ATOM 0 HA PHE A 25 13.036 -21.471 -0.190 1.00 0.00 H new ATOM 0 HB2 PHE A 25 13.249 -18.438 0.120 1.00 0.00 H new ATOM 0 HB3 PHE A 25 13.038 -19.289 -1.397 1.00 0.00 H new ATOM 0 HD1 PHE A 25 10.879 -20.606 -1.783 1.00 0.00 H new ATOM 0 HD2 PHE A 25 11.337 -17.985 1.556 1.00 0.00 H new ATOM 0 HE1 PHE A 25 8.450 -20.589 -1.458 1.00 0.00 H new ATOM 0 HE2 PHE A 25 8.905 -17.980 1.872 1.00 0.00 H new ATOM 0 HZ PHE A 25 7.459 -19.268 0.360 1.00 0.00 H new ATOM 398 N GLY A 26 15.744 -19.985 0.921 1.00 0.00 N ATOM 399 CA GLY A 26 17.178 -19.798 0.718 1.00 0.00 C ATOM 400 C GLY A 26 17.445 -18.683 -0.277 1.00 0.00 C ATOM 401 O GLY A 26 18.308 -18.805 -1.151 1.00 0.00 O ATOM 0 H GLY A 26 15.391 -19.593 1.794 1.00 0.00 H new ATOM 0 HA2 GLY A 26 17.656 -19.564 1.669 1.00 0.00 H new ATOM 0 HA3 GLY A 26 17.622 -20.726 0.358 1.00 0.00 H new ATOM 405 N ALA A 27 16.660 -17.601 -0.137 1.00 0.00 N ATOM 406 CA ALA A 27 16.778 -16.386 -0.947 1.00 0.00 C ATOM 407 C ALA A 27 18.120 -15.702 -0.686 1.00 0.00 C ATOM 408 O ALA A 27 18.491 -15.511 0.483 1.00 0.00 O ATOM 409 CB ALA A 27 15.636 -15.417 -0.625 1.00 0.00 C ATOM 0 H ALA A 27 15.913 -17.550 0.556 1.00 0.00 H new ATOM 0 HA ALA A 27 16.720 -16.668 -1.998 1.00 0.00 H new ATOM 0 HB1 ALA A 27 15.738 -14.519 -1.235 1.00 0.00 H new ATOM 0 HB2 ALA A 27 14.681 -15.896 -0.841 1.00 0.00 H new ATOM 0 HB3 ALA A 27 15.676 -15.145 0.430 1.00 0.00 H new ATOM 415 N SER A 28 18.818 -15.341 -1.777 1.00 0.00 N ATOM 416 CA SER A 28 20.120 -14.658 -1.716 1.00 0.00 C ATOM 417 C SER A 28 20.002 -13.377 -0.877 1.00 0.00 C ATOM 418 O SER A 28 19.081 -12.594 -1.088 1.00 0.00 O ATOM 419 CB SER A 28 20.612 -14.322 -3.140 1.00 0.00 C ATOM 420 OG SER A 28 20.542 -15.455 -3.983 1.00 0.00 O ATOM 0 H SER A 28 18.493 -15.516 -2.728 1.00 0.00 H new ATOM 0 HA SER A 28 20.845 -15.321 -1.245 1.00 0.00 H new ATOM 0 HB2 SER A 28 20.007 -13.517 -3.557 1.00 0.00 H new ATOM 0 HB3 SER A 28 21.639 -13.959 -3.097 1.00 0.00 H new ATOM 0 HG SER A 28 20.857 -15.216 -4.879 1.00 0.00 H new ATOM 426 N GLU A 29 20.937 -13.178 0.067 1.00 0.00 N ATOM 427 CA GLU A 29 20.887 -12.056 1.030 1.00 0.00 C ATOM 428 C GLU A 29 21.081 -10.702 0.310 1.00 0.00 C ATOM 429 O GLU A 29 20.592 -9.664 0.762 1.00 0.00 O ATOM 430 CB GLU A 29 21.956 -12.271 2.136 1.00 0.00 C ATOM 431 CG GLU A 29 21.757 -13.564 2.956 1.00 0.00 C ATOM 432 CD GLU A 29 22.880 -13.820 3.985 1.00 0.00 C ATOM 433 OE1 GLU A 29 23.918 -14.405 3.612 1.00 0.00 O ATOM 434 OE2 GLU A 29 22.730 -13.446 5.165 1.00 0.00 O ATOM 0 H GLU A 29 21.747 -13.786 0.187 1.00 0.00 H new ATOM 0 HA GLU A 29 19.904 -12.032 1.499 1.00 0.00 H new ATOM 0 HB2 GLU A 29 22.943 -12.294 1.674 1.00 0.00 H new ATOM 0 HB3 GLU A 29 21.941 -11.417 2.813 1.00 0.00 H new ATOM 0 HG2 GLU A 29 20.802 -13.510 3.478 1.00 0.00 H new ATOM 0 HG3 GLU A 29 21.700 -14.412 2.274 1.00 0.00 H new ATOM 441 N GLN A 30 21.796 -10.747 -0.825 1.00 0.00 N ATOM 442 CA GLN A 30 21.959 -9.597 -1.737 1.00 0.00 C ATOM 443 C GLN A 30 20.621 -9.229 -2.409 1.00 0.00 C ATOM 444 O GLN A 30 20.338 -8.052 -2.641 1.00 0.00 O ATOM 445 CB GLN A 30 23.019 -9.939 -2.811 1.00 0.00 C ATOM 446 CG GLN A 30 24.435 -10.245 -2.263 1.00 0.00 C ATOM 447 CD GLN A 30 25.079 -9.055 -1.558 1.00 0.00 C ATOM 448 OE1 GLN A 30 24.929 -8.868 -0.349 1.00 0.00 O ATOM 449 NE2 GLN A 30 25.807 -8.249 -2.311 1.00 0.00 N ATOM 0 H GLN A 30 22.282 -11.587 -1.140 1.00 0.00 H new ATOM 0 HA GLN A 30 22.291 -8.736 -1.157 1.00 0.00 H new ATOM 0 HB2 GLN A 30 22.672 -10.802 -3.380 1.00 0.00 H new ATOM 0 HB3 GLN A 30 23.089 -9.105 -3.509 1.00 0.00 H new ATOM 0 HG2 GLN A 30 24.375 -11.082 -1.567 1.00 0.00 H new ATOM 0 HG3 GLN A 30 25.075 -10.561 -3.087 1.00 0.00 H new ATOM 0 HE21 GLN A 30 25.908 -8.436 -3.309 1.00 0.00 H new ATOM 0 HE22 GLN A 30 26.268 -7.440 -1.895 1.00 0.00 H new ATOM 458 N ALA A 31 19.805 -10.254 -2.703 1.00 0.00 N ATOM 459 CA ALA A 31 18.476 -10.070 -3.303 1.00 0.00 C ATOM 460 C ALA A 31 17.511 -9.545 -2.235 1.00 0.00 C ATOM 461 O ALA A 31 16.745 -8.645 -2.495 1.00 0.00 O ATOM 462 CB ALA A 31 17.977 -11.377 -3.922 1.00 0.00 C ATOM 0 H ALA A 31 20.048 -11.230 -2.532 1.00 0.00 H new ATOM 0 HA ALA A 31 18.535 -9.338 -4.108 1.00 0.00 H new ATOM 0 HB1 ALA A 31 16.992 -11.219 -4.361 1.00 0.00 H new ATOM 0 HB2 ALA A 31 18.672 -11.701 -4.697 1.00 0.00 H new ATOM 0 HB3 ALA A 31 17.912 -12.144 -3.150 1.00 0.00 H new ATOM 468 N ILE A 32 17.529 -10.181 -1.050 1.00 0.00 N ATOM 469 CA ILE A 32 16.942 -9.625 0.206 1.00 0.00 C ATOM 470 C ILE A 32 17.311 -8.148 0.465 1.00 0.00 C ATOM 471 O ILE A 32 16.485 -7.392 0.973 1.00 0.00 O ATOM 472 CB ILE A 32 17.378 -10.501 1.446 1.00 0.00 C ATOM 473 CG1 ILE A 32 16.920 -11.972 1.251 1.00 0.00 C ATOM 474 CG2 ILE A 32 16.864 -9.945 2.801 1.00 0.00 C ATOM 475 CD1 ILE A 32 15.427 -12.162 1.119 1.00 0.00 C ATOM 0 H ILE A 32 17.951 -11.101 -0.925 1.00 0.00 H new ATOM 0 HA ILE A 32 15.861 -9.660 0.073 1.00 0.00 H new ATOM 0 HB ILE A 32 18.466 -10.459 1.491 1.00 0.00 H new ATOM 0 HG12 ILE A 32 17.403 -12.372 0.359 1.00 0.00 H new ATOM 0 HG13 ILE A 32 17.273 -12.562 2.097 1.00 0.00 H new ATOM 0 HG21 ILE A 32 17.199 -10.593 3.611 1.00 0.00 H new ATOM 0 HG22 ILE A 32 17.257 -8.940 2.955 1.00 0.00 H new ATOM 0 HG23 ILE A 32 15.775 -9.911 2.790 1.00 0.00 H new ATOM 0 HD11 ILE A 32 15.205 -13.221 0.987 1.00 0.00 H new ATOM 0 HD12 ILE A 32 14.933 -11.798 2.020 1.00 0.00 H new ATOM 0 HD13 ILE A 32 15.064 -11.605 0.255 1.00 0.00 H new ATOM 487 N ALA A 33 18.516 -7.750 0.066 1.00 0.00 N ATOM 488 CA ALA A 33 19.001 -6.376 0.275 1.00 0.00 C ATOM 489 C ALA A 33 18.301 -5.425 -0.717 1.00 0.00 C ATOM 490 O ALA A 33 17.646 -4.447 -0.326 1.00 0.00 O ATOM 491 CB ALA A 33 20.527 -6.317 0.112 1.00 0.00 C ATOM 0 H ALA A 33 19.183 -8.359 -0.407 1.00 0.00 H new ATOM 0 HA ALA A 33 18.762 -6.059 1.290 1.00 0.00 H new ATOM 0 HB1 ALA A 33 20.870 -5.295 0.269 1.00 0.00 H new ATOM 0 HB2 ALA A 33 20.997 -6.974 0.844 1.00 0.00 H new ATOM 0 HB3 ALA A 33 20.798 -6.640 -0.893 1.00 0.00 H new ATOM 497 N ASP A 34 18.489 -5.747 -2.001 1.00 0.00 N ATOM 498 CA ASP A 34 17.891 -5.058 -3.156 1.00 0.00 C ATOM 499 C ASP A 34 16.355 -4.938 -3.058 1.00 0.00 C ATOM 500 O ASP A 34 15.799 -3.863 -3.251 1.00 0.00 O ATOM 501 CB ASP A 34 18.296 -5.841 -4.437 1.00 0.00 C ATOM 502 CG ASP A 34 17.730 -5.268 -5.745 1.00 0.00 C ATOM 503 OD1 ASP A 34 17.933 -4.064 -6.021 1.00 0.00 O ATOM 504 OD2 ASP A 34 17.103 -6.024 -6.520 1.00 0.00 O ATOM 0 H ASP A 34 19.086 -6.526 -2.278 1.00 0.00 H new ATOM 0 HA ASP A 34 18.267 -4.035 -3.184 1.00 0.00 H new ATOM 0 HB2 ASP A 34 19.384 -5.861 -4.506 1.00 0.00 H new ATOM 0 HB3 ASP A 34 17.964 -6.874 -4.335 1.00 0.00 H new ATOM 509 N ALA A 35 15.698 -6.052 -2.733 1.00 0.00 N ATOM 510 CA ALA A 35 14.224 -6.156 -2.701 1.00 0.00 C ATOM 511 C ALA A 35 13.632 -5.586 -1.405 1.00 0.00 C ATOM 512 O ALA A 35 12.454 -5.238 -1.384 1.00 0.00 O ATOM 513 CB ALA A 35 13.767 -7.605 -2.917 1.00 0.00 C ATOM 0 H ALA A 35 16.171 -6.920 -2.481 1.00 0.00 H new ATOM 0 HA ALA A 35 13.845 -5.550 -3.524 1.00 0.00 H new ATOM 0 HB1 ALA A 35 12.678 -7.651 -2.888 1.00 0.00 H new ATOM 0 HB2 ALA A 35 14.120 -7.957 -3.886 1.00 0.00 H new ATOM 0 HB3 ALA A 35 14.178 -8.237 -2.130 1.00 0.00 H new ATOM 519 N ARG A 36 14.431 -5.529 -0.309 1.00 0.00 N ATOM 520 CA ARG A 36 14.026 -4.765 0.898 1.00 0.00 C ATOM 521 C ARG A 36 13.955 -3.286 0.527 1.00 0.00 C ATOM 522 O ARG A 36 12.928 -2.634 0.727 1.00 0.00 O ATOM 523 CB ARG A 36 14.991 -4.948 2.106 1.00 0.00 C ATOM 524 CG ARG A 36 14.619 -4.081 3.338 1.00 0.00 C ATOM 525 CD ARG A 36 15.530 -4.323 4.550 1.00 0.00 C ATOM 526 NE ARG A 36 16.945 -3.966 4.307 1.00 0.00 N ATOM 527 CZ ARG A 36 17.889 -3.909 5.265 1.00 0.00 C ATOM 528 NH1 ARG A 36 17.596 -4.196 6.522 1.00 0.00 N ATOM 529 NH2 ARG A 36 19.133 -3.574 4.958 1.00 0.00 N ATOM 0 H ARG A 36 15.338 -5.991 -0.236 1.00 0.00 H new ATOM 0 HA ARG A 36 13.058 -5.150 1.218 1.00 0.00 H new ATOM 0 HB2 ARG A 36 14.996 -5.998 2.400 1.00 0.00 H new ATOM 0 HB3 ARG A 36 16.005 -4.700 1.791 1.00 0.00 H new ATOM 0 HG2 ARG A 36 14.668 -3.028 3.060 1.00 0.00 H new ATOM 0 HG3 ARG A 36 13.587 -4.288 3.621 1.00 0.00 H new ATOM 0 HD2 ARG A 36 15.158 -3.744 5.395 1.00 0.00 H new ATOM 0 HD3 ARG A 36 15.472 -5.374 4.833 1.00 0.00 H new ATOM 0 HE ARG A 36 17.224 -3.749 3.350 1.00 0.00 H new ATOM 0 HH11 ARG A 36 16.645 -4.465 6.776 1.00 0.00 H new ATOM 0 HH12 ARG A 36 18.321 -4.149 7.238 1.00 0.00 H new ATOM 0 HH21 ARG A 36 19.379 -3.358 3.992 1.00 0.00 H new ATOM 0 HH22 ARG A 36 19.845 -3.532 5.687 1.00 0.00 H new ATOM 543 N LYS A 37 15.067 -2.798 -0.057 1.00 0.00 N ATOM 544 CA LYS A 37 15.189 -1.432 -0.600 1.00 0.00 C ATOM 545 C LYS A 37 14.040 -1.119 -1.575 1.00 0.00 C ATOM 546 O LYS A 37 13.425 -0.063 -1.489 1.00 0.00 O ATOM 547 CB LYS A 37 16.547 -1.285 -1.346 1.00 0.00 C ATOM 548 CG LYS A 37 16.744 0.053 -2.124 1.00 0.00 C ATOM 549 CD LYS A 37 17.741 -0.067 -3.302 1.00 0.00 C ATOM 550 CE LYS A 37 17.248 -1.064 -4.371 1.00 0.00 C ATOM 551 NZ LYS A 37 18.168 -1.182 -5.525 1.00 0.00 N ATOM 0 H LYS A 37 15.918 -3.350 -0.166 1.00 0.00 H new ATOM 0 HA LYS A 37 15.141 -0.730 0.232 1.00 0.00 H new ATOM 0 HB2 LYS A 37 17.353 -1.385 -0.620 1.00 0.00 H new ATOM 0 HB3 LYS A 37 16.647 -2.112 -2.049 1.00 0.00 H new ATOM 0 HG2 LYS A 37 15.780 0.389 -2.505 1.00 0.00 H new ATOM 0 HG3 LYS A 37 17.098 0.818 -1.433 1.00 0.00 H new ATOM 0 HD2 LYS A 37 17.885 0.913 -3.758 1.00 0.00 H new ATOM 0 HD3 LYS A 37 18.712 -0.389 -2.925 1.00 0.00 H new ATOM 0 HE2 LYS A 37 17.122 -2.045 -3.913 1.00 0.00 H new ATOM 0 HE3 LYS A 37 16.267 -0.750 -4.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 18.191 -2.169 -5.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 17.836 -0.570 -6.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 19.124 -0.889 -5.238 1.00 0.00 H new ATOM 565 N ALA A 38 13.714 -2.098 -2.442 1.00 0.00 N ATOM 566 CA ALA A 38 12.839 -1.891 -3.602 1.00 0.00 C ATOM 567 C ALA A 38 11.364 -1.943 -3.188 1.00 0.00 C ATOM 568 O ALA A 38 10.561 -1.185 -3.718 1.00 0.00 O ATOM 569 CB ALA A 38 13.118 -2.942 -4.688 1.00 0.00 C ATOM 0 H ALA A 38 14.054 -3.056 -2.353 1.00 0.00 H new ATOM 0 HA ALA A 38 13.051 -0.902 -4.009 1.00 0.00 H new ATOM 0 HB1 ALA A 38 12.459 -2.770 -5.539 1.00 0.00 H new ATOM 0 HB2 ALA A 38 14.156 -2.864 -5.012 1.00 0.00 H new ATOM 0 HB3 ALA A 38 12.938 -3.939 -4.285 1.00 0.00 H new ATOM 575 N THR A 39 11.028 -2.850 -2.235 1.00 0.00 N ATOM 576 CA THR A 39 9.658 -2.990 -1.705 1.00 0.00 C ATOM 577 C THR A 39 9.278 -1.744 -0.908 1.00 0.00 C ATOM 578 O THR A 39 8.177 -1.246 -1.065 1.00 0.00 O ATOM 579 CB THR A 39 9.483 -4.264 -0.806 1.00 0.00 C ATOM 580 OG1 THR A 39 9.592 -5.440 -1.615 1.00 0.00 O ATOM 581 CG2 THR A 39 8.147 -4.302 -0.046 1.00 0.00 C ATOM 0 H THR A 39 11.697 -3.497 -1.819 1.00 0.00 H new ATOM 0 HA THR A 39 8.996 -3.105 -2.563 1.00 0.00 H new ATOM 0 HB THR A 39 10.275 -4.224 -0.058 1.00 0.00 H new ATOM 0 HG1 THR A 39 10.537 -5.673 -1.728 1.00 0.00 H new ATOM 0 HG21 THR A 39 8.096 -5.210 0.554 1.00 0.00 H new ATOM 0 HG22 THR A 39 8.074 -3.431 0.606 1.00 0.00 H new ATOM 0 HG23 THR A 39 7.322 -4.291 -0.759 1.00 0.00 H new ATOM 589 N ILE A 40 10.207 -1.250 -0.056 1.00 0.00 N ATOM 590 CA ILE A 40 10.024 0.014 0.677 1.00 0.00 C ATOM 591 C ILE A 40 9.783 1.148 -0.340 1.00 0.00 C ATOM 592 O ILE A 40 8.697 1.697 -0.406 1.00 0.00 O ATOM 593 CB ILE A 40 11.280 0.322 1.591 1.00 0.00 C ATOM 594 CG1 ILE A 40 11.408 -0.716 2.752 1.00 0.00 C ATOM 595 CG2 ILE A 40 11.252 1.762 2.151 1.00 0.00 C ATOM 596 CD1 ILE A 40 10.320 -0.634 3.813 1.00 0.00 C ATOM 0 H ILE A 40 11.094 -1.715 0.138 1.00 0.00 H new ATOM 0 HA ILE A 40 9.159 -0.067 1.336 1.00 0.00 H new ATOM 0 HB ILE A 40 12.160 0.234 0.954 1.00 0.00 H new ATOM 0 HG12 ILE A 40 11.402 -1.719 2.325 1.00 0.00 H new ATOM 0 HG13 ILE A 40 12.376 -0.581 3.235 1.00 0.00 H new ATOM 0 HG21 ILE A 40 12.132 1.928 2.772 1.00 0.00 H new ATOM 0 HG22 ILE A 40 11.251 2.474 1.325 1.00 0.00 H new ATOM 0 HG23 ILE A 40 10.353 1.901 2.752 1.00 0.00 H new ATOM 0 HD11 ILE A 40 10.496 -1.394 4.574 1.00 0.00 H new ATOM 0 HD12 ILE A 40 10.336 0.353 4.275 1.00 0.00 H new ATOM 0 HD13 ILE A 40 9.347 -0.803 3.351 1.00 0.00 H new ATOM 608 N LEU A 41 10.780 1.346 -1.216 1.00 0.00 N ATOM 609 CA LEU A 41 10.797 2.387 -2.274 1.00 0.00 C ATOM 610 C LEU A 41 9.518 2.366 -3.154 1.00 0.00 C ATOM 611 O LEU A 41 9.026 3.418 -3.577 1.00 0.00 O ATOM 612 CB LEU A 41 12.112 2.186 -3.107 1.00 0.00 C ATOM 613 CG LEU A 41 12.215 2.820 -4.537 1.00 0.00 C ATOM 614 CD1 LEU A 41 13.684 3.173 -4.870 1.00 0.00 C ATOM 615 CD2 LEU A 41 11.665 1.867 -5.626 1.00 0.00 C ATOM 0 H LEU A 41 11.624 0.774 -1.214 1.00 0.00 H new ATOM 0 HA LEU A 41 10.794 3.379 -1.821 1.00 0.00 H new ATOM 0 HB2 LEU A 41 12.939 2.577 -2.514 1.00 0.00 H new ATOM 0 HB3 LEU A 41 12.274 1.113 -3.211 1.00 0.00 H new ATOM 0 HG LEU A 41 11.610 3.727 -4.530 1.00 0.00 H new ATOM 0 HD11 LEU A 41 13.736 3.612 -5.866 1.00 0.00 H new ATOM 0 HD12 LEU A 41 14.061 3.888 -4.139 1.00 0.00 H new ATOM 0 HD13 LEU A 41 14.291 2.268 -4.840 1.00 0.00 H new ATOM 0 HD21 LEU A 41 11.753 2.342 -6.603 1.00 0.00 H new ATOM 0 HD22 LEU A 41 12.237 0.939 -5.620 1.00 0.00 H new ATOM 0 HD23 LEU A 41 10.617 1.648 -5.422 1.00 0.00 H new ATOM 627 N GLN A 42 8.980 1.159 -3.372 1.00 0.00 N ATOM 628 CA GLN A 42 7.784 0.926 -4.206 1.00 0.00 C ATOM 629 C GLN A 42 6.530 1.308 -3.419 1.00 0.00 C ATOM 630 O GLN A 42 5.738 2.135 -3.865 1.00 0.00 O ATOM 631 CB GLN A 42 7.732 -0.573 -4.622 1.00 0.00 C ATOM 632 CG GLN A 42 6.397 -1.077 -5.209 1.00 0.00 C ATOM 633 CD GLN A 42 6.467 -2.536 -5.646 1.00 0.00 C ATOM 634 OE1 GLN A 42 6.206 -3.447 -4.864 1.00 0.00 O ATOM 635 NE2 GLN A 42 6.824 -2.770 -6.901 1.00 0.00 N ATOM 0 H GLN A 42 9.365 0.304 -2.971 1.00 0.00 H new ATOM 0 HA GLN A 42 7.832 1.541 -5.105 1.00 0.00 H new ATOM 0 HB2 GLN A 42 8.517 -0.751 -5.357 1.00 0.00 H new ATOM 0 HB3 GLN A 42 7.971 -1.179 -3.748 1.00 0.00 H new ATOM 0 HG2 GLN A 42 5.609 -0.961 -4.464 1.00 0.00 H new ATOM 0 HG3 GLN A 42 6.122 -0.458 -6.063 1.00 0.00 H new ATOM 0 HE21 GLN A 42 7.034 -1.991 -7.525 1.00 0.00 H new ATOM 0 HE22 GLN A 42 6.888 -3.729 -7.243 1.00 0.00 H new ATOM 644 N THR A 43 6.427 0.724 -2.214 1.00 0.00 N ATOM 645 CA THR A 43 5.244 0.815 -1.336 1.00 0.00 C ATOM 646 C THR A 43 4.933 2.271 -0.994 1.00 0.00 C ATOM 647 O THR A 43 3.816 2.710 -1.187 1.00 0.00 O ATOM 648 CB THR A 43 5.429 -0.019 -0.012 1.00 0.00 C ATOM 649 OG1 THR A 43 5.510 -1.420 -0.325 1.00 0.00 O ATOM 650 CG2 THR A 43 4.294 0.204 1.010 1.00 0.00 C ATOM 0 H THR A 43 7.178 0.163 -1.813 1.00 0.00 H new ATOM 0 HA THR A 43 4.405 0.390 -1.887 1.00 0.00 H new ATOM 0 HB THR A 43 6.354 0.330 0.448 1.00 0.00 H new ATOM 0 HG1 THR A 43 6.415 -1.634 -0.634 1.00 0.00 H new ATOM 0 HG21 THR A 43 4.481 -0.399 1.899 1.00 0.00 H new ATOM 0 HG22 THR A 43 4.256 1.257 1.287 1.00 0.00 H new ATOM 0 HG23 THR A 43 3.342 -0.089 0.567 1.00 0.00 H new ATOM 658 N LEU A 44 5.964 2.999 -0.546 1.00 0.00 N ATOM 659 CA LEU A 44 5.845 4.392 -0.064 1.00 0.00 C ATOM 660 C LEU A 44 5.400 5.336 -1.201 1.00 0.00 C ATOM 661 O LEU A 44 4.448 6.105 -1.054 1.00 0.00 O ATOM 662 CB LEU A 44 7.209 4.872 0.484 1.00 0.00 C ATOM 663 CG LEU A 44 7.949 3.957 1.503 1.00 0.00 C ATOM 664 CD1 LEU A 44 9.243 4.624 1.986 1.00 0.00 C ATOM 665 CD2 LEU A 44 7.054 3.520 2.676 1.00 0.00 C ATOM 0 H LEU A 44 6.917 2.638 -0.505 1.00 0.00 H new ATOM 0 HA LEU A 44 5.094 4.414 0.725 1.00 0.00 H new ATOM 0 HB2 LEU A 44 7.873 5.031 -0.366 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.057 5.843 0.956 1.00 0.00 H new ATOM 0 HG LEU A 44 8.214 3.039 0.978 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.746 3.969 2.698 1.00 0.00 H new ATOM 0 HD12 LEU A 44 9.898 4.806 1.134 1.00 0.00 H new ATOM 0 HD13 LEU A 44 9.005 5.571 2.470 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.625 2.884 3.352 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.704 4.401 3.214 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.198 2.965 2.293 1.00 0.00 H new ATOM 677 N ARG A 45 6.110 5.236 -2.338 1.00 0.00 N ATOM 678 CA ARG A 45 5.896 6.101 -3.512 1.00 0.00 C ATOM 679 C ARG A 45 4.480 5.871 -4.102 1.00 0.00 C ATOM 680 O ARG A 45 3.808 6.815 -4.526 1.00 0.00 O ATOM 681 CB ARG A 45 7.007 5.834 -4.565 1.00 0.00 C ATOM 682 CG ARG A 45 7.056 6.856 -5.724 1.00 0.00 C ATOM 683 CD ARG A 45 8.154 6.542 -6.757 1.00 0.00 C ATOM 684 NE ARG A 45 8.316 7.628 -7.745 1.00 0.00 N ATOM 685 CZ ARG A 45 8.951 7.521 -8.921 1.00 0.00 C ATOM 686 NH1 ARG A 45 9.458 6.364 -9.330 1.00 0.00 N ATOM 687 NH2 ARG A 45 9.076 8.589 -9.686 1.00 0.00 N ATOM 0 H ARG A 45 6.853 4.549 -2.469 1.00 0.00 H new ATOM 0 HA ARG A 45 5.957 7.147 -3.211 1.00 0.00 H new ATOM 0 HB2 ARG A 45 7.973 5.830 -4.061 1.00 0.00 H new ATOM 0 HB3 ARG A 45 6.861 4.838 -4.983 1.00 0.00 H new ATOM 0 HG2 ARG A 45 6.088 6.875 -6.225 1.00 0.00 H new ATOM 0 HG3 ARG A 45 7.223 7.853 -5.315 1.00 0.00 H new ATOM 0 HD2 ARG A 45 9.100 6.378 -6.241 1.00 0.00 H new ATOM 0 HD3 ARG A 45 7.909 5.615 -7.275 1.00 0.00 H new ATOM 0 HE ARG A 45 7.911 8.535 -7.513 1.00 0.00 H new ATOM 0 HH11 ARG A 45 9.368 5.533 -8.746 1.00 0.00 H new ATOM 0 HH12 ARG A 45 9.937 6.306 -10.229 1.00 0.00 H new ATOM 0 HH21 ARG A 45 8.692 9.483 -9.380 1.00 0.00 H new ATOM 0 HH22 ARG A 45 9.557 8.520 -10.583 1.00 0.00 H new ATOM 701 N ILE A 46 4.027 4.602 -4.088 1.00 0.00 N ATOM 702 CA ILE A 46 2.656 4.223 -4.495 1.00 0.00 C ATOM 703 C ILE A 46 1.629 4.683 -3.429 1.00 0.00 C ATOM 704 O ILE A 46 0.569 5.202 -3.777 1.00 0.00 O ATOM 705 CB ILE A 46 2.548 2.660 -4.747 1.00 0.00 C ATOM 706 CG1 ILE A 46 3.396 2.235 -5.992 1.00 0.00 C ATOM 707 CG2 ILE A 46 1.082 2.189 -4.898 1.00 0.00 C ATOM 708 CD1 ILE A 46 3.384 0.738 -6.307 1.00 0.00 C ATOM 0 H ILE A 46 4.599 3.810 -3.795 1.00 0.00 H new ATOM 0 HA ILE A 46 2.427 4.727 -5.434 1.00 0.00 H new ATOM 0 HB ILE A 46 2.954 2.168 -3.863 1.00 0.00 H new ATOM 0 HG12 ILE A 46 3.029 2.777 -6.864 1.00 0.00 H new ATOM 0 HG13 ILE A 46 4.428 2.548 -5.833 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.061 1.113 -5.069 1.00 0.00 H new ATOM 0 HG22 ILE A 46 0.529 2.423 -3.988 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.621 2.699 -5.744 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.000 0.546 -7.186 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.782 0.184 -5.457 1.00 0.00 H new ATOM 0 HD13 ILE A 46 2.361 0.416 -6.503 1.00 0.00 H new ATOM 720 N GLU A 47 2.000 4.545 -2.140 1.00 0.00 N ATOM 721 CA GLU A 47 1.087 4.751 -0.981 1.00 0.00 C ATOM 722 C GLU A 47 0.527 6.185 -0.971 1.00 0.00 C ATOM 723 O GLU A 47 -0.656 6.383 -0.710 1.00 0.00 O ATOM 724 CB GLU A 47 1.831 4.441 0.366 1.00 0.00 C ATOM 725 CG GLU A 47 1.042 3.588 1.383 1.00 0.00 C ATOM 726 CD GLU A 47 -0.319 4.186 1.799 1.00 0.00 C ATOM 727 OE1 GLU A 47 -0.351 5.042 2.704 1.00 0.00 O ATOM 728 OE2 GLU A 47 -1.359 3.780 1.235 1.00 0.00 O ATOM 0 H GLU A 47 2.947 4.286 -1.865 1.00 0.00 H new ATOM 0 HA GLU A 47 0.249 4.061 -1.081 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.764 3.928 0.135 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.096 5.386 0.840 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.875 2.599 0.957 1.00 0.00 H new ATOM 0 HG3 GLU A 47 1.653 3.452 2.275 1.00 0.00 H new ATOM 735 N ARG A 48 1.411 7.162 -1.280 1.00 0.00 N ATOM 736 CA ARG A 48 1.061 8.599 -1.392 1.00 0.00 C ATOM 737 C ARG A 48 -0.154 8.772 -2.321 1.00 0.00 C ATOM 738 O ARG A 48 -1.172 9.370 -1.949 1.00 0.00 O ATOM 739 CB ARG A 48 2.276 9.386 -1.967 1.00 0.00 C ATOM 740 CG ARG A 48 2.070 10.919 -2.067 1.00 0.00 C ATOM 741 CD ARG A 48 3.188 11.631 -2.846 1.00 0.00 C ATOM 742 NE ARG A 48 3.213 11.219 -4.266 1.00 0.00 N ATOM 743 CZ ARG A 48 2.964 12.024 -5.321 1.00 0.00 C ATOM 744 NH1 ARG A 48 2.689 13.318 -5.153 1.00 0.00 N ATOM 745 NH2 ARG A 48 3.001 11.520 -6.548 1.00 0.00 N ATOM 0 H ARG A 48 2.397 6.974 -1.460 1.00 0.00 H new ATOM 0 HA ARG A 48 0.811 8.986 -0.404 1.00 0.00 H new ATOM 0 HB2 ARG A 48 3.146 9.191 -1.341 1.00 0.00 H new ATOM 0 HB3 ARG A 48 2.504 8.999 -2.960 1.00 0.00 H new ATOM 0 HG2 ARG A 48 1.114 11.120 -2.551 1.00 0.00 H new ATOM 0 HG3 ARG A 48 2.013 11.338 -1.062 1.00 0.00 H new ATOM 0 HD2 ARG A 48 3.046 12.710 -2.783 1.00 0.00 H new ATOM 0 HD3 ARG A 48 4.151 11.409 -2.386 1.00 0.00 H new ATOM 0 HE ARG A 48 3.437 10.244 -4.465 1.00 0.00 H new ATOM 0 HH11 ARG A 48 2.664 13.716 -4.214 1.00 0.00 H new ATOM 0 HH12 ARG A 48 2.504 13.909 -5.963 1.00 0.00 H new ATOM 0 HH21 ARG A 48 3.216 10.533 -6.688 1.00 0.00 H new ATOM 0 HH22 ARG A 48 2.814 12.120 -7.352 1.00 0.00 H new ATOM 759 N ASP A 49 -0.027 8.159 -3.509 1.00 0.00 N ATOM 760 CA ASP A 49 -1.023 8.225 -4.587 1.00 0.00 C ATOM 761 C ASP A 49 -2.307 7.481 -4.178 1.00 0.00 C ATOM 762 O ASP A 49 -3.410 7.940 -4.475 1.00 0.00 O ATOM 763 CB ASP A 49 -0.415 7.629 -5.887 1.00 0.00 C ATOM 764 CG ASP A 49 -1.262 7.901 -7.137 1.00 0.00 C ATOM 765 OD1 ASP A 49 -2.164 7.103 -7.457 1.00 0.00 O ATOM 766 OD2 ASP A 49 -1.033 8.928 -7.810 1.00 0.00 O ATOM 0 H ASP A 49 0.787 7.593 -3.750 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.291 9.265 -4.773 1.00 0.00 H new ATOM 0 HB2 ASP A 49 0.582 8.043 -6.036 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -0.298 6.552 -5.764 1.00 0.00 H new ATOM 771 N GLU A 50 -2.137 6.356 -3.457 1.00 0.00 N ATOM 772 CA GLU A 50 -3.256 5.510 -2.980 1.00 0.00 C ATOM 773 C GLU A 50 -4.202 6.280 -2.046 1.00 0.00 C ATOM 774 O GLU A 50 -5.407 6.060 -2.078 1.00 0.00 O ATOM 775 CB GLU A 50 -2.737 4.249 -2.243 1.00 0.00 C ATOM 776 CG GLU A 50 -1.933 3.274 -3.113 1.00 0.00 C ATOM 777 CD GLU A 50 -2.756 2.610 -4.232 1.00 0.00 C ATOM 778 OE1 GLU A 50 -3.404 1.571 -3.970 1.00 0.00 O ATOM 779 OE2 GLU A 50 -2.746 3.103 -5.378 1.00 0.00 O ATOM 0 H GLU A 50 -1.218 6.005 -3.187 1.00 0.00 H new ATOM 0 HA GLU A 50 -3.810 5.208 -3.869 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -2.113 4.566 -1.407 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.589 3.717 -1.820 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.095 3.808 -3.560 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -1.512 2.497 -2.476 1.00 0.00 H new ATOM 786 N ARG A 51 -3.634 7.167 -1.213 1.00 0.00 N ATOM 787 CA ARG A 51 -4.408 7.981 -0.248 1.00 0.00 C ATOM 788 C ARG A 51 -5.133 9.135 -0.973 1.00 0.00 C ATOM 789 O ARG A 51 -6.249 9.494 -0.601 1.00 0.00 O ATOM 790 CB ARG A 51 -3.470 8.552 0.835 1.00 0.00 C ATOM 791 CG ARG A 51 -2.567 7.510 1.510 1.00 0.00 C ATOM 792 CD ARG A 51 -1.499 8.141 2.418 1.00 0.00 C ATOM 793 NE ARG A 51 -2.052 8.673 3.675 1.00 0.00 N ATOM 794 CZ ARG A 51 -2.047 8.016 4.848 1.00 0.00 C ATOM 795 NH1 ARG A 51 -1.595 6.761 4.922 1.00 0.00 N ATOM 796 NH2 ARG A 51 -2.510 8.611 5.938 1.00 0.00 N ATOM 0 H ARG A 51 -2.630 7.343 -1.185 1.00 0.00 H new ATOM 0 HA ARG A 51 -5.153 7.341 0.224 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.842 9.321 0.385 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -4.074 9.041 1.600 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -3.183 6.831 2.100 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -2.076 6.911 0.743 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -0.740 7.394 2.649 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -1.000 8.946 1.878 1.00 0.00 H new ATOM 0 HE ARG A 51 -2.468 9.604 3.654 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -1.250 6.293 4.084 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -1.595 6.271 5.816 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -2.869 9.564 5.885 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -2.508 8.115 6.830 1.00 0.00 H new ATOM 810 N LEU A 52 -4.465 9.703 -2.004 1.00 0.00 N ATOM 811 CA LEU A 52 -5.034 10.770 -2.862 1.00 0.00 C ATOM 812 C LEU A 52 -6.286 10.259 -3.613 1.00 0.00 C ATOM 813 O LEU A 52 -7.318 10.937 -3.646 1.00 0.00 O ATOM 814 CB LEU A 52 -3.952 11.288 -3.854 1.00 0.00 C ATOM 815 CG LEU A 52 -2.709 11.976 -3.203 1.00 0.00 C ATOM 816 CD1 LEU A 52 -1.610 12.257 -4.248 1.00 0.00 C ATOM 817 CD2 LEU A 52 -3.120 13.260 -2.453 1.00 0.00 C ATOM 0 H LEU A 52 -3.516 9.435 -2.265 1.00 0.00 H new ATOM 0 HA LEU A 52 -5.347 11.602 -2.231 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -3.605 10.448 -4.456 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -4.421 11.997 -4.536 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.289 11.285 -2.472 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.760 12.736 -3.762 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.289 11.318 -4.699 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.004 12.916 -5.022 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.237 13.720 -2.009 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.580 13.958 -3.152 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.833 13.010 -1.667 1.00 0.00 H new ATOM 829 N ARG A 53 -6.191 9.037 -4.178 1.00 0.00 N ATOM 830 CA ARG A 53 -7.326 8.385 -4.877 1.00 0.00 C ATOM 831 C ARG A 53 -8.328 7.768 -3.872 1.00 0.00 C ATOM 832 O ARG A 53 -9.450 7.453 -4.249 1.00 0.00 O ATOM 833 CB ARG A 53 -6.834 7.314 -5.895 1.00 0.00 C ATOM 834 CG ARG A 53 -6.020 6.161 -5.276 1.00 0.00 C ATOM 835 CD ARG A 53 -5.669 5.037 -6.266 1.00 0.00 C ATOM 836 NE ARG A 53 -4.942 5.527 -7.454 1.00 0.00 N ATOM 837 CZ ARG A 53 -4.216 4.766 -8.287 1.00 0.00 C ATOM 838 NH1 ARG A 53 -3.911 3.519 -7.973 1.00 0.00 N ATOM 839 NH2 ARG A 53 -3.729 5.290 -9.399 1.00 0.00 N ATOM 0 H ARG A 53 -5.338 8.478 -4.165 1.00 0.00 H new ATOM 0 HA ARG A 53 -7.846 9.162 -5.437 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -7.700 6.895 -6.407 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -6.223 7.806 -6.652 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -5.097 6.565 -4.860 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -6.585 5.736 -4.446 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -5.062 4.288 -5.758 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -6.586 4.541 -6.586 1.00 0.00 H new ATOM 0 HE ARG A 53 -4.996 6.525 -7.658 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -4.228 3.124 -7.088 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -3.358 2.952 -8.616 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -3.906 6.270 -9.621 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -3.177 4.715 -10.035 1.00 0.00 H new ATOM 853 N ALA A 54 -7.898 7.556 -2.605 1.00 0.00 N ATOM 854 CA ALA A 54 -8.787 7.050 -1.527 1.00 0.00 C ATOM 855 C ALA A 54 -9.723 8.157 -1.016 1.00 0.00 C ATOM 856 O ALA A 54 -10.861 7.881 -0.635 1.00 0.00 O ATOM 857 CB ALA A 54 -7.974 6.467 -0.357 1.00 0.00 C ATOM 0 H ALA A 54 -6.939 7.728 -2.302 1.00 0.00 H new ATOM 0 HA ALA A 54 -9.392 6.252 -1.957 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -8.654 6.106 0.414 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -7.361 5.640 -0.716 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.330 7.241 0.060 1.00 0.00 H new ATOM 863 N CYS A 55 -9.230 9.416 -1.016 1.00 0.00 N ATOM 864 CA CYS A 55 -9.996 10.594 -0.537 1.00 0.00 C ATOM 865 C CYS A 55 -10.756 11.277 -1.699 1.00 0.00 C ATOM 866 O CYS A 55 -11.240 12.405 -1.556 1.00 0.00 O ATOM 867 CB CYS A 55 -9.039 11.597 0.169 1.00 0.00 C ATOM 868 SG CYS A 55 -7.710 12.241 -0.876 1.00 0.00 S ATOM 0 H CYS A 55 -8.293 9.646 -1.347 1.00 0.00 H new ATOM 0 HA CYS A 55 -10.740 10.254 0.183 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -9.626 12.435 0.544 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -8.596 11.106 1.035 1.00 0.00 H new ATOM 0 HG CYS A 55 -7.736 11.642 -2.030 1.00 0.00 H new ATOM 874 N ASP A 56 -10.896 10.563 -2.841 1.00 0.00 N ATOM 875 CA ASP A 56 -11.606 11.074 -4.037 1.00 0.00 C ATOM 876 C ASP A 56 -13.126 11.187 -3.785 1.00 0.00 C ATOM 877 O ASP A 56 -13.807 11.991 -4.432 1.00 0.00 O ATOM 878 CB ASP A 56 -11.336 10.161 -5.273 1.00 0.00 C ATOM 879 CG ASP A 56 -12.113 8.819 -5.281 1.00 0.00 C ATOM 880 OD1 ASP A 56 -12.183 8.132 -4.231 1.00 0.00 O ATOM 881 OD2 ASP A 56 -12.638 8.433 -6.352 1.00 0.00 O ATOM 0 H ASP A 56 -10.522 9.621 -2.959 1.00 0.00 H new ATOM 0 HA ASP A 56 -11.220 12.072 -4.244 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -11.589 10.715 -6.177 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -10.269 9.945 -5.320 1.00 0.00 H new ATOM 886 N TRP A 57 -13.631 10.367 -2.831 1.00 0.00 N ATOM 887 CA TRP A 57 -15.060 10.314 -2.463 1.00 0.00 C ATOM 888 C TRP A 57 -15.548 11.646 -1.859 1.00 0.00 C ATOM 889 O TRP A 57 -16.739 11.908 -1.848 1.00 0.00 O ATOM 890 CB TRP A 57 -15.334 9.142 -1.474 1.00 0.00 C ATOM 891 CG TRP A 57 -14.827 9.345 -0.057 1.00 0.00 C ATOM 892 CD1 TRP A 57 -13.559 9.144 0.406 1.00 0.00 C ATOM 893 CD2 TRP A 57 -15.594 9.797 1.077 1.00 0.00 C ATOM 894 NE1 TRP A 57 -13.486 9.447 1.741 1.00 0.00 N ATOM 895 CE2 TRP A 57 -14.718 9.849 2.177 1.00 0.00 C ATOM 896 CE3 TRP A 57 -16.928 10.181 1.259 1.00 0.00 C ATOM 897 CZ2 TRP A 57 -15.138 10.251 3.444 1.00 0.00 C ATOM 898 CZ3 TRP A 57 -17.345 10.574 2.516 1.00 0.00 C ATOM 899 CH2 TRP A 57 -16.448 10.614 3.593 1.00 0.00 C ATOM 0 H TRP A 57 -13.051 9.722 -2.294 1.00 0.00 H new ATOM 0 HA TRP A 57 -15.621 10.140 -3.381 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -16.409 8.968 -1.434 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -14.879 8.237 -1.877 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -12.731 8.796 -0.194 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -12.647 9.383 2.317 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -17.620 10.170 0.430 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -14.453 10.275 4.279 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -18.376 10.854 2.671 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -16.799 10.939 4.561 1.00 0.00 H new ATOM 910 N THR A 58 -14.617 12.450 -1.323 1.00 0.00 N ATOM 911 CA THR A 58 -14.929 13.772 -0.744 1.00 0.00 C ATOM 912 C THR A 58 -14.930 14.847 -1.841 1.00 0.00 C ATOM 913 O THR A 58 -15.595 15.879 -1.719 1.00 0.00 O ATOM 914 CB THR A 58 -13.891 14.153 0.354 1.00 0.00 C ATOM 915 OG1 THR A 58 -12.588 14.314 -0.220 1.00 0.00 O ATOM 916 CG2 THR A 58 -13.827 13.091 1.451 1.00 0.00 C ATOM 0 H THR A 58 -13.628 12.206 -1.277 1.00 0.00 H new ATOM 0 HA THR A 58 -15.919 13.717 -0.291 1.00 0.00 H new ATOM 0 HB THR A 58 -14.216 15.095 0.795 1.00 0.00 H new ATOM 0 HG1 THR A 58 -12.294 13.464 -0.608 1.00 0.00 H new ATOM 0 HG21 THR A 58 -13.094 13.387 2.201 1.00 0.00 H new ATOM 0 HG22 THR A 58 -14.806 12.992 1.920 1.00 0.00 H new ATOM 0 HG23 THR A 58 -13.535 12.135 1.016 1.00 0.00 H new ATOM 924 N GLN A 59 -14.169 14.569 -2.912 1.00 0.00 N ATOM 925 CA GLN A 59 -13.946 15.501 -4.030 1.00 0.00 C ATOM 926 C GLN A 59 -15.097 15.434 -5.056 1.00 0.00 C ATOM 927 O GLN A 59 -15.335 16.403 -5.781 1.00 0.00 O ATOM 928 CB GLN A 59 -12.579 15.176 -4.704 1.00 0.00 C ATOM 929 CG GLN A 59 -11.368 15.161 -3.735 1.00 0.00 C ATOM 930 CD GLN A 59 -11.147 16.494 -3.004 1.00 0.00 C ATOM 931 OE1 GLN A 59 -10.453 17.373 -3.497 1.00 0.00 O ATOM 932 NE2 GLN A 59 -11.724 16.645 -1.820 1.00 0.00 N ATOM 0 H GLN A 59 -13.685 13.679 -3.027 1.00 0.00 H new ATOM 0 HA GLN A 59 -13.923 16.519 -3.641 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -12.651 14.203 -5.190 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -12.392 15.910 -5.487 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -11.514 14.372 -2.997 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -10.468 14.911 -4.296 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -12.298 15.896 -1.433 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -11.594 17.511 -1.296 1.00 0.00 H new ATOM 941 N VAL A 60 -15.812 14.287 -5.107 1.00 0.00 N ATOM 942 CA VAL A 60 -16.922 14.081 -6.067 1.00 0.00 C ATOM 943 C VAL A 60 -18.103 15.042 -5.789 1.00 0.00 C ATOM 944 O VAL A 60 -18.325 15.470 -4.647 1.00 0.00 O ATOM 945 CB VAL A 60 -17.438 12.586 -6.099 1.00 0.00 C ATOM 946 CG1 VAL A 60 -16.298 11.609 -6.496 1.00 0.00 C ATOM 947 CG2 VAL A 60 -18.107 12.175 -4.761 1.00 0.00 C ATOM 0 H VAL A 60 -15.640 13.489 -4.495 1.00 0.00 H new ATOM 0 HA VAL A 60 -16.508 14.306 -7.050 1.00 0.00 H new ATOM 0 HB VAL A 60 -18.209 12.523 -6.867 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -16.682 10.589 -6.510 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -15.924 11.869 -7.486 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -15.487 11.682 -5.771 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -18.447 11.141 -4.827 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -17.385 12.269 -3.949 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -18.960 12.825 -4.566 1.00 0.00 H new ATOM 957 N GLN A 61 -18.848 15.358 -6.865 1.00 0.00 N ATOM 958 CA GLN A 61 -20.032 16.246 -6.821 1.00 0.00 C ATOM 959 C GLN A 61 -21.220 15.577 -6.095 1.00 0.00 C ATOM 960 O GLN A 61 -22.149 16.257 -5.647 1.00 0.00 O ATOM 961 CB GLN A 61 -20.456 16.643 -8.266 1.00 0.00 C ATOM 962 CG GLN A 61 -20.941 15.458 -9.141 1.00 0.00 C ATOM 963 CD GLN A 61 -21.468 15.871 -10.519 1.00 0.00 C ATOM 964 OE1 GLN A 61 -21.003 16.841 -11.117 1.00 0.00 O ATOM 965 NE2 GLN A 61 -22.449 15.140 -11.028 1.00 0.00 N ATOM 0 H GLN A 61 -18.646 15.002 -7.799 1.00 0.00 H new ATOM 0 HA GLN A 61 -19.754 17.139 -6.261 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -21.253 17.385 -8.207 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -19.611 17.122 -8.761 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -20.116 14.758 -9.274 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -21.728 14.925 -8.608 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -22.813 14.342 -10.508 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -22.840 15.375 -11.940 1.00 0.00 H new ATOM 974 N ASP A 62 -21.166 14.237 -5.999 1.00 0.00 N ATOM 975 CA ASP A 62 -22.252 13.415 -5.452 1.00 0.00 C ATOM 976 C ASP A 62 -22.370 13.545 -3.918 1.00 0.00 C ATOM 977 O ASP A 62 -23.481 13.631 -3.383 1.00 0.00 O ATOM 978 CB ASP A 62 -22.040 11.936 -5.864 1.00 0.00 C ATOM 979 CG ASP A 62 -23.128 10.997 -5.315 1.00 0.00 C ATOM 980 OD1 ASP A 62 -24.292 11.106 -5.762 1.00 0.00 O ATOM 981 OD2 ASP A 62 -22.838 10.182 -4.419 1.00 0.00 O ATOM 0 H ASP A 62 -20.359 13.692 -6.302 1.00 0.00 H new ATOM 0 HA ASP A 62 -23.191 13.779 -5.869 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -22.023 11.866 -6.952 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -21.066 11.601 -5.508 1.00 0.00 H new ATOM 986 N VAL A 63 -21.215 13.578 -3.230 1.00 0.00 N ATOM 987 CA VAL A 63 -21.156 13.556 -1.751 1.00 0.00 C ATOM 988 C VAL A 63 -21.672 14.887 -1.156 1.00 0.00 C ATOM 989 O VAL A 63 -21.402 15.968 -1.694 1.00 0.00 O ATOM 990 CB VAL A 63 -19.697 13.225 -1.242 1.00 0.00 C ATOM 991 CG1 VAL A 63 -18.693 14.354 -1.569 1.00 0.00 C ATOM 992 CG2 VAL A 63 -19.690 12.882 0.264 1.00 0.00 C ATOM 0 H VAL A 63 -20.299 13.620 -3.677 1.00 0.00 H new ATOM 0 HA VAL A 63 -21.813 12.760 -1.402 1.00 0.00 H new ATOM 0 HB VAL A 63 -19.365 12.341 -1.786 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -17.705 14.080 -1.200 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -18.649 14.501 -2.648 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -19.016 15.278 -1.090 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -18.671 12.659 0.582 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -20.070 13.731 0.832 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -20.324 12.013 0.442 1.00 0.00 H new ATOM 1002 N VAL A 64 -22.443 14.792 -0.056 1.00 0.00 N ATOM 1003 CA VAL A 64 -23.042 15.956 0.618 1.00 0.00 C ATOM 1004 C VAL A 64 -22.211 16.304 1.870 1.00 0.00 C ATOM 1005 O VAL A 64 -22.409 15.765 2.964 1.00 0.00 O ATOM 1006 CB VAL A 64 -24.587 15.737 0.934 1.00 0.00 C ATOM 1007 CG1 VAL A 64 -24.861 14.420 1.705 1.00 0.00 C ATOM 1008 CG2 VAL A 64 -25.204 16.970 1.656 1.00 0.00 C ATOM 0 H VAL A 64 -22.668 13.903 0.390 1.00 0.00 H new ATOM 0 HA VAL A 64 -23.012 16.812 -0.056 1.00 0.00 H new ATOM 0 HB VAL A 64 -25.088 15.636 -0.029 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -25.930 14.324 1.893 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -24.519 13.573 1.111 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -24.326 14.436 2.655 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -26.259 16.784 1.856 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -24.681 17.140 2.597 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -25.104 17.851 1.022 1.00 0.00 H new ATOM 1018 N LEU A 65 -21.202 17.159 1.652 1.00 0.00 N ATOM 1019 CA LEU A 65 -20.332 17.697 2.707 1.00 0.00 C ATOM 1020 C LEU A 65 -20.466 19.224 2.700 1.00 0.00 C ATOM 1021 O LEU A 65 -20.868 19.806 1.685 1.00 0.00 O ATOM 1022 CB LEU A 65 -18.856 17.288 2.445 1.00 0.00 C ATOM 1023 CG LEU A 65 -18.548 15.758 2.427 1.00 0.00 C ATOM 1024 CD1 LEU A 65 -17.109 15.478 1.942 1.00 0.00 C ATOM 1025 CD2 LEU A 65 -18.816 15.114 3.805 1.00 0.00 C ATOM 0 H LEU A 65 -20.964 17.502 0.721 1.00 0.00 H new ATOM 0 HA LEU A 65 -20.627 17.298 3.677 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -18.551 17.708 1.487 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -18.233 17.752 3.210 1.00 0.00 H new ATOM 0 HG LEU A 65 -19.228 15.295 1.712 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -16.928 14.403 1.942 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -16.983 15.868 0.932 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -16.399 15.965 2.610 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -18.592 14.048 3.758 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -18.183 15.586 4.556 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -19.863 15.253 4.074 1.00 0.00 H new ATOM 1037 N THR A 66 -20.123 19.876 3.816 1.00 0.00 N ATOM 1038 CA THR A 66 -20.107 21.346 3.891 1.00 0.00 C ATOM 1039 C THR A 66 -18.877 21.902 3.147 1.00 0.00 C ATOM 1040 O THR A 66 -17.977 21.136 2.758 1.00 0.00 O ATOM 1041 CB THR A 66 -20.098 21.840 5.369 1.00 0.00 C ATOM 1042 OG1 THR A 66 -18.947 21.303 6.051 1.00 0.00 O ATOM 1043 CG2 THR A 66 -21.378 21.437 6.126 1.00 0.00 C ATOM 0 H THR A 66 -19.852 19.411 4.682 1.00 0.00 H new ATOM 0 HA THR A 66 -21.016 21.714 3.415 1.00 0.00 H new ATOM 0 HB THR A 66 -20.054 22.929 5.351 1.00 0.00 H new ATOM 0 HG1 THR A 66 -18.942 21.616 6.980 1.00 0.00 H new ATOM 0 HG21 THR A 66 -21.325 21.803 7.151 1.00 0.00 H new ATOM 0 HG22 THR A 66 -22.246 21.871 5.630 1.00 0.00 H new ATOM 0 HG23 THR A 66 -21.470 20.351 6.133 1.00 0.00 H new ATOM 1051 N ALA A 67 -18.854 23.229 2.941 1.00 0.00 N ATOM 1052 CA ALA A 67 -17.700 23.915 2.332 1.00 0.00 C ATOM 1053 C ALA A 67 -16.426 23.671 3.174 1.00 0.00 C ATOM 1054 O ALA A 67 -15.384 23.315 2.633 1.00 0.00 O ATOM 1055 CB ALA A 67 -17.990 25.414 2.174 1.00 0.00 C ATOM 0 H ALA A 67 -19.624 23.851 3.188 1.00 0.00 H new ATOM 0 HA ALA A 67 -17.528 23.504 1.337 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -17.128 25.906 1.723 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -18.862 25.550 1.534 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -18.186 25.852 3.153 1.00 0.00 H new ATOM 1061 N ASP A 68 -16.562 23.859 4.506 1.00 0.00 N ATOM 1062 CA ASP A 68 -15.504 23.554 5.498 1.00 0.00 C ATOM 1063 C ASP A 68 -14.942 22.124 5.334 1.00 0.00 C ATOM 1064 O ASP A 68 -13.732 21.953 5.224 1.00 0.00 O ATOM 1065 CB ASP A 68 -16.046 23.751 6.938 1.00 0.00 C ATOM 1066 CG ASP A 68 -16.269 25.228 7.309 1.00 0.00 C ATOM 1067 OD1 ASP A 68 -15.289 26.000 7.312 1.00 0.00 O ATOM 1068 OD2 ASP A 68 -17.418 25.625 7.609 1.00 0.00 O ATOM 0 H ASP A 68 -17.414 24.229 4.927 1.00 0.00 H new ATOM 0 HA ASP A 68 -14.684 24.249 5.319 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -16.988 23.212 7.041 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -15.346 23.308 7.646 1.00 0.00 H new ATOM 1073 N GLN A 69 -15.851 21.120 5.290 1.00 0.00 N ATOM 1074 CA GLN A 69 -15.476 19.683 5.158 1.00 0.00 C ATOM 1075 C GLN A 69 -14.696 19.437 3.851 1.00 0.00 C ATOM 1076 O GLN A 69 -13.552 18.996 3.883 1.00 0.00 O ATOM 1077 CB GLN A 69 -16.732 18.760 5.242 1.00 0.00 C ATOM 1078 CG GLN A 69 -17.294 18.587 6.665 1.00 0.00 C ATOM 1079 CD GLN A 69 -18.574 17.756 6.714 1.00 0.00 C ATOM 1080 OE1 GLN A 69 -18.536 16.533 6.819 1.00 0.00 O ATOM 1081 NE2 GLN A 69 -19.718 18.414 6.669 1.00 0.00 N ATOM 0 H GLN A 69 -16.857 21.277 5.344 1.00 0.00 H new ATOM 0 HA GLN A 69 -14.824 19.431 5.994 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -17.514 19.170 4.602 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -16.475 17.779 4.843 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -16.538 18.113 7.291 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -17.491 19.570 7.092 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -19.719 19.430 6.581 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -20.601 17.906 6.722 1.00 0.00 H new ATOM 1090 N LYS A 70 -15.303 19.825 2.720 1.00 0.00 N ATOM 1091 CA LYS A 70 -14.729 19.633 1.361 1.00 0.00 C ATOM 1092 C LYS A 70 -13.409 20.394 1.166 1.00 0.00 C ATOM 1093 O LYS A 70 -12.585 19.989 0.356 1.00 0.00 O ATOM 1094 CB LYS A 70 -15.774 20.023 0.270 1.00 0.00 C ATOM 1095 CG LYS A 70 -16.715 18.859 -0.121 1.00 0.00 C ATOM 1096 CD LYS A 70 -17.939 19.309 -0.948 1.00 0.00 C ATOM 1097 CE LYS A 70 -18.704 18.120 -1.565 1.00 0.00 C ATOM 1098 NZ LYS A 70 -17.909 17.415 -2.611 1.00 0.00 N ATOM 0 H LYS A 70 -16.213 20.285 2.712 1.00 0.00 H new ATOM 0 HA LYS A 70 -14.491 18.574 1.255 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -16.373 20.859 0.633 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -15.248 20.370 -0.619 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -16.151 18.122 -0.693 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -17.061 18.362 0.785 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -18.614 19.880 -0.311 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -17.610 19.978 -1.744 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -18.970 17.415 -0.778 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -19.637 18.478 -2.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -18.522 16.750 -3.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -17.519 18.111 -3.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -17.130 16.892 -2.162 1.00 0.00 H new ATOM 1112 N ALA A 71 -13.212 21.471 1.935 1.00 0.00 N ATOM 1113 CA ALA A 71 -12.025 22.342 1.789 1.00 0.00 C ATOM 1114 C ALA A 71 -10.852 21.716 2.569 1.00 0.00 C ATOM 1115 O ALA A 71 -9.737 21.614 2.062 1.00 0.00 O ATOM 1116 CB ALA A 71 -12.323 23.764 2.288 1.00 0.00 C ATOM 0 H ALA A 71 -13.857 21.766 2.668 1.00 0.00 H new ATOM 0 HA ALA A 71 -11.758 22.420 0.735 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -11.435 24.385 2.170 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -13.142 24.189 1.708 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -12.604 23.729 3.341 1.00 0.00 H new ATOM 1122 N THR A 72 -11.148 21.354 3.835 1.00 0.00 N ATOM 1123 CA THR A 72 -10.224 20.603 4.729 1.00 0.00 C ATOM 1124 C THR A 72 -9.746 19.262 4.090 1.00 0.00 C ATOM 1125 O THR A 72 -8.587 18.864 4.257 1.00 0.00 O ATOM 1126 CB THR A 72 -10.880 20.328 6.133 1.00 0.00 C ATOM 1127 OG1 THR A 72 -11.454 21.536 6.657 1.00 0.00 O ATOM 1128 CG2 THR A 72 -9.848 19.814 7.153 1.00 0.00 C ATOM 0 H THR A 72 -12.042 21.574 4.275 1.00 0.00 H new ATOM 0 HA THR A 72 -9.349 21.237 4.870 1.00 0.00 H new ATOM 0 HB THR A 72 -11.647 19.568 5.982 1.00 0.00 H new ATOM 0 HG1 THR A 72 -12.274 21.749 6.165 1.00 0.00 H new ATOM 0 HG21 THR A 72 -10.339 19.636 8.110 1.00 0.00 H new ATOM 0 HG22 THR A 72 -9.411 18.884 6.791 1.00 0.00 H new ATOM 0 HG23 THR A 72 -9.062 20.558 7.282 1.00 0.00 H new ATOM 1136 N TRP A 73 -10.649 18.598 3.337 1.00 0.00 N ATOM 1137 CA TRP A 73 -10.338 17.344 2.602 1.00 0.00 C ATOM 1138 C TRP A 73 -9.521 17.623 1.327 1.00 0.00 C ATOM 1139 O TRP A 73 -8.600 16.866 0.997 1.00 0.00 O ATOM 1140 CB TRP A 73 -11.638 16.565 2.269 1.00 0.00 C ATOM 1141 CG TRP A 73 -12.169 15.750 3.429 1.00 0.00 C ATOM 1142 CD1 TRP A 73 -13.242 16.017 4.235 1.00 0.00 C ATOM 1143 CD2 TRP A 73 -11.631 14.505 3.892 1.00 0.00 C ATOM 1144 NE1 TRP A 73 -13.401 15.022 5.157 1.00 0.00 N ATOM 1145 CE2 TRP A 73 -12.427 14.082 4.968 1.00 0.00 C ATOM 1146 CE3 TRP A 73 -10.552 13.709 3.494 1.00 0.00 C ATOM 1147 CZ2 TRP A 73 -12.190 12.898 5.642 1.00 0.00 C ATOM 1148 CZ3 TRP A 73 -10.315 12.532 4.167 1.00 0.00 C ATOM 1149 CH2 TRP A 73 -11.130 12.140 5.235 1.00 0.00 C ATOM 0 H TRP A 73 -11.612 18.912 3.219 1.00 0.00 H new ATOM 0 HA TRP A 73 -9.724 16.722 3.254 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -12.404 17.272 1.951 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -11.448 15.901 1.426 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -13.873 16.890 4.154 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -14.129 14.986 5.871 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -9.917 14.012 2.675 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -12.821 12.584 6.461 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -9.490 11.903 3.867 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -10.915 11.215 5.750 1.00 0.00 H new ATOM 1160 N ALA A 74 -9.863 18.717 0.616 1.00 0.00 N ATOM 1161 CA ALA A 74 -9.083 19.196 -0.550 1.00 0.00 C ATOM 1162 C ALA A 74 -7.701 19.712 -0.104 1.00 0.00 C ATOM 1163 O ALA A 74 -6.768 19.776 -0.903 1.00 0.00 O ATOM 1164 CB ALA A 74 -9.855 20.292 -1.301 1.00 0.00 C ATOM 0 H ALA A 74 -10.679 19.290 0.829 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.930 18.357 -1.229 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -9.267 20.632 -2.154 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -10.806 19.892 -1.652 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -10.040 21.131 -0.630 1.00 0.00 H new ATOM 1170 N LYS A 75 -7.608 20.093 1.188 1.00 0.00 N ATOM 1171 CA LYS A 75 -6.371 20.584 1.818 1.00 0.00 C ATOM 1172 C LYS A 75 -5.477 19.394 2.167 1.00 0.00 C ATOM 1173 O LYS A 75 -4.257 19.478 2.045 1.00 0.00 O ATOM 1174 CB LYS A 75 -6.694 21.389 3.108 1.00 0.00 C ATOM 1175 CG LYS A 75 -5.458 21.935 3.857 1.00 0.00 C ATOM 1176 CD LYS A 75 -5.789 22.543 5.237 1.00 0.00 C ATOM 1177 CE LYS A 75 -6.740 23.749 5.166 1.00 0.00 C ATOM 1178 NZ LYS A 75 -6.942 24.363 6.499 1.00 0.00 N ATOM 0 H LYS A 75 -8.402 20.067 1.828 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.857 21.243 1.118 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -7.341 22.226 2.845 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -7.259 20.750 3.786 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -4.738 21.128 3.989 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -4.977 22.694 3.241 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -6.238 21.774 5.866 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -4.862 22.850 5.721 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -6.335 24.493 4.480 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -7.701 23.432 4.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -7.589 25.173 6.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -7.352 23.660 7.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -6.028 24.688 6.874 1.00 0.00 H new ATOM 1192 N TYR A 76 -6.113 18.292 2.626 1.00 0.00 N ATOM 1193 CA TYR A 76 -5.424 17.010 2.873 1.00 0.00 C ATOM 1194 C TYR A 76 -4.783 16.511 1.565 1.00 0.00 C ATOM 1195 O TYR A 76 -3.612 16.101 1.549 1.00 0.00 O ATOM 1196 CB TYR A 76 -6.419 15.949 3.451 1.00 0.00 C ATOM 1197 CG TYR A 76 -5.842 14.520 3.591 1.00 0.00 C ATOM 1198 CD1 TYR A 76 -4.551 14.309 4.077 1.00 0.00 C ATOM 1199 CD2 TYR A 76 -6.577 13.385 3.209 1.00 0.00 C ATOM 1200 CE1 TYR A 76 -4.019 13.050 4.176 1.00 0.00 C ATOM 1201 CE2 TYR A 76 -6.040 12.112 3.319 1.00 0.00 C ATOM 1202 CZ TYR A 76 -4.757 11.955 3.799 1.00 0.00 C ATOM 1203 OH TYR A 76 -4.202 10.698 3.898 1.00 0.00 O ATOM 0 H TYR A 76 -7.111 18.268 2.834 1.00 0.00 H new ATOM 0 HA TYR A 76 -4.639 17.163 3.614 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -6.757 16.286 4.431 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -7.298 15.908 2.807 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -3.957 15.158 4.382 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -7.578 13.507 2.823 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -3.015 12.918 4.552 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -6.622 11.249 3.031 1.00 0.00 H new ATOM 0 HH TYR A 76 -4.851 10.029 3.594 1.00 0.00 H new ATOM 1213 N ARG A 77 -5.565 16.583 0.480 1.00 0.00 N ATOM 1214 CA ARG A 77 -5.123 16.183 -0.857 1.00 0.00 C ATOM 1215 C ARG A 77 -3.974 17.101 -1.332 1.00 0.00 C ATOM 1216 O ARG A 77 -2.957 16.616 -1.820 1.00 0.00 O ATOM 1217 CB ARG A 77 -6.326 16.222 -1.840 1.00 0.00 C ATOM 1218 CG ARG A 77 -6.026 15.653 -3.248 1.00 0.00 C ATOM 1219 CD ARG A 77 -7.282 15.523 -4.121 1.00 0.00 C ATOM 1220 NE ARG A 77 -6.956 15.022 -5.476 1.00 0.00 N ATOM 1221 CZ ARG A 77 -7.415 13.884 -6.015 1.00 0.00 C ATOM 1222 NH1 ARG A 77 -8.161 13.037 -5.305 1.00 0.00 N ATOM 1223 NH2 ARG A 77 -7.102 13.576 -7.270 1.00 0.00 N ATOM 0 H ARG A 77 -6.526 16.922 0.508 1.00 0.00 H new ATOM 0 HA ARG A 77 -4.742 15.162 -0.827 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -7.153 15.661 -1.404 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -6.661 17.254 -1.943 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -5.306 16.300 -3.750 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -5.558 14.674 -3.146 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -7.989 14.846 -3.643 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -7.773 16.493 -4.200 1.00 0.00 H new ATOM 0 HE ARG A 77 -6.330 15.590 -6.047 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -8.391 13.250 -4.335 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -8.501 12.176 -5.732 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -6.515 14.205 -7.818 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -7.449 12.711 -7.685 1.00 0.00 H new ATOM 1237 N GLN A 78 -4.157 18.424 -1.151 1.00 0.00 N ATOM 1238 CA GLN A 78 -3.162 19.461 -1.509 1.00 0.00 C ATOM 1239 C GLN A 78 -1.826 19.292 -0.765 1.00 0.00 C ATOM 1240 O GLN A 78 -0.753 19.478 -1.352 1.00 0.00 O ATOM 1241 CB GLN A 78 -3.774 20.869 -1.244 1.00 0.00 C ATOM 1242 CG GLN A 78 -2.924 22.077 -1.692 1.00 0.00 C ATOM 1243 CD GLN A 78 -2.532 22.078 -3.180 1.00 0.00 C ATOM 1244 OE1 GLN A 78 -1.486 22.611 -3.545 1.00 0.00 O ATOM 1245 NE2 GLN A 78 -3.370 21.513 -4.045 1.00 0.00 N ATOM 0 H GLN A 78 -5.010 18.810 -0.747 1.00 0.00 H new ATOM 0 HA GLN A 78 -2.930 19.350 -2.568 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -4.739 20.923 -1.748 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -3.967 20.963 -0.175 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -3.477 22.991 -1.476 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -2.015 22.105 -1.092 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -4.231 21.078 -3.712 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -3.152 21.514 -5.041 1.00 0.00 H new ATOM 1254 N ALA A 79 -1.908 18.924 0.516 1.00 0.00 N ATOM 1255 CA ALA A 79 -0.728 18.763 1.378 1.00 0.00 C ATOM 1256 C ALA A 79 0.094 17.539 0.943 1.00 0.00 C ATOM 1257 O ALA A 79 1.299 17.637 0.703 1.00 0.00 O ATOM 1258 CB ALA A 79 -1.168 18.633 2.841 1.00 0.00 C ATOM 0 H ALA A 79 -2.791 18.729 0.987 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.094 19.644 1.281 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -0.290 18.514 3.476 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -1.712 19.530 3.138 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.815 17.763 2.950 1.00 0.00 H new ATOM 1264 N LEU A 80 -0.585 16.397 0.827 1.00 0.00 N ATOM 1265 CA LEU A 80 0.032 15.115 0.470 1.00 0.00 C ATOM 1266 C LEU A 80 0.551 15.097 -0.991 1.00 0.00 C ATOM 1267 O LEU A 80 1.538 14.414 -1.287 1.00 0.00 O ATOM 1268 CB LEU A 80 -1.022 14.003 0.717 1.00 0.00 C ATOM 1269 CG LEU A 80 -0.571 12.539 0.453 1.00 0.00 C ATOM 1270 CD1 LEU A 80 0.705 12.181 1.230 1.00 0.00 C ATOM 1271 CD2 LEU A 80 -1.710 11.566 0.778 1.00 0.00 C ATOM 0 H LEU A 80 -1.591 16.334 0.980 1.00 0.00 H new ATOM 0 HA LEU A 80 0.912 14.947 1.091 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.355 14.074 1.752 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.888 14.210 0.089 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.329 12.451 -0.606 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.984 11.149 1.016 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.514 12.846 0.927 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.524 12.293 2.299 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.381 10.544 0.589 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.988 11.669 1.827 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -2.572 11.792 0.150 1.00 0.00 H new ATOM 1283 N ARG A 81 -0.110 15.849 -1.904 1.00 0.00 N ATOM 1284 CA ARG A 81 0.334 15.937 -3.320 1.00 0.00 C ATOM 1285 C ARG A 81 1.506 16.929 -3.457 1.00 0.00 C ATOM 1286 O ARG A 81 2.307 16.805 -4.377 1.00 0.00 O ATOM 1287 CB ARG A 81 -0.838 16.311 -4.280 1.00 0.00 C ATOM 1288 CG ARG A 81 -1.236 17.802 -4.292 1.00 0.00 C ATOM 1289 CD ARG A 81 -2.463 18.095 -5.174 1.00 0.00 C ATOM 1290 NE ARG A 81 -2.312 17.591 -6.547 1.00 0.00 N ATOM 1291 CZ ARG A 81 -1.633 18.191 -7.537 1.00 0.00 C ATOM 1292 NH1 ARG A 81 -0.971 19.338 -7.336 1.00 0.00 N ATOM 1293 NH2 ARG A 81 -1.609 17.632 -8.735 1.00 0.00 N ATOM 0 H ARG A 81 -0.943 16.398 -1.691 1.00 0.00 H new ATOM 0 HA ARG A 81 0.681 14.948 -3.618 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -0.562 16.018 -5.293 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -1.713 15.722 -4.005 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -1.445 18.124 -3.272 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -0.392 18.394 -4.647 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -3.346 17.644 -4.721 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -2.635 19.171 -5.204 1.00 0.00 H new ATOM 0 HE ARG A 81 -2.765 16.704 -6.767 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -0.976 19.775 -6.414 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -0.462 19.775 -8.105 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -2.103 16.755 -8.898 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -1.097 18.078 -9.496 1.00 0.00 H new ATOM 1307 N ASP A 82 1.584 17.918 -2.527 1.00 0.00 N ATOM 1308 CA ASP A 82 2.724 18.876 -2.450 1.00 0.00 C ATOM 1309 C ASP A 82 4.047 18.113 -2.236 1.00 0.00 C ATOM 1310 O ASP A 82 5.108 18.531 -2.722 1.00 0.00 O ATOM 1311 CB ASP A 82 2.504 19.917 -1.316 1.00 0.00 C ATOM 1312 CG ASP A 82 3.712 20.858 -1.085 1.00 0.00 C ATOM 1313 OD1 ASP A 82 3.937 21.768 -1.906 1.00 0.00 O ATOM 1314 OD2 ASP A 82 4.437 20.688 -0.079 1.00 0.00 O ATOM 0 H ASP A 82 0.869 18.074 -1.817 1.00 0.00 H new ATOM 0 HA ASP A 82 2.780 19.417 -3.395 1.00 0.00 H new ATOM 0 HB2 ASP A 82 1.627 20.519 -1.554 1.00 0.00 H new ATOM 0 HB3 ASP A 82 2.285 19.388 -0.388 1.00 0.00 H new ATOM 1319 N LEU A 83 3.954 16.994 -1.492 1.00 0.00 N ATOM 1320 CA LEU A 83 5.009 15.979 -1.437 1.00 0.00 C ATOM 1321 C LEU A 83 5.067 15.317 -2.828 1.00 0.00 C ATOM 1322 O LEU A 83 4.089 14.682 -3.224 1.00 0.00 O ATOM 1323 CB LEU A 83 4.691 14.941 -0.324 1.00 0.00 C ATOM 1324 CG LEU A 83 4.411 15.529 1.096 1.00 0.00 C ATOM 1325 CD1 LEU A 83 4.014 14.416 2.083 1.00 0.00 C ATOM 1326 CD2 LEU A 83 5.617 16.345 1.610 1.00 0.00 C ATOM 0 H LEU A 83 3.143 16.774 -0.914 1.00 0.00 H new ATOM 0 HA LEU A 83 5.976 16.420 -1.193 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.822 14.360 -0.633 1.00 0.00 H new ATOM 0 HB3 LEU A 83 5.529 14.248 -0.250 1.00 0.00 H new ATOM 0 HG LEU A 83 3.567 16.215 1.018 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.824 14.851 3.064 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.112 13.918 1.726 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.824 13.690 2.158 1.00 0.00 H new ATOM 0 HD21 LEU A 83 5.393 16.742 2.600 1.00 0.00 H new ATOM 0 HD22 LEU A 83 6.494 15.701 1.667 1.00 0.00 H new ATOM 0 HD23 LEU A 83 5.817 17.170 0.926 1.00 0.00 H new ATOM 1338 N PRO A 84 6.181 15.503 -3.610 1.00 0.00 N ATOM 1339 CA PRO A 84 6.237 15.121 -5.042 1.00 0.00 C ATOM 1340 C PRO A 84 6.286 13.602 -5.276 1.00 0.00 C ATOM 1341 O PRO A 84 6.259 12.800 -4.330 1.00 0.00 O ATOM 1342 CB PRO A 84 7.540 15.820 -5.560 1.00 0.00 C ATOM 1343 CG PRO A 84 7.976 16.732 -4.448 1.00 0.00 C ATOM 1344 CD PRO A 84 7.478 16.087 -3.177 1.00 0.00 C ATOM 0 HA PRO A 84 5.335 15.431 -5.569 1.00 0.00 H new ATOM 0 HB2 PRO A 84 8.313 15.087 -5.792 1.00 0.00 H new ATOM 0 HB3 PRO A 84 7.347 16.381 -6.475 1.00 0.00 H new ATOM 0 HG2 PRO A 84 9.060 16.842 -4.433 1.00 0.00 H new ATOM 0 HG3 PRO A 84 7.556 17.730 -4.572 1.00 0.00 H new ATOM 0 HD2 PRO A 84 8.166 15.325 -2.810 1.00 0.00 H new ATOM 0 HD3 PRO A 84 7.350 16.813 -2.375 1.00 0.00 H new ATOM 1352 N GLU A 85 6.384 13.221 -6.564 1.00 0.00 N ATOM 1353 CA GLU A 85 6.519 11.807 -6.989 1.00 0.00 C ATOM 1354 C GLU A 85 8.011 11.368 -6.951 1.00 0.00 C ATOM 1355 O GLU A 85 8.520 10.708 -7.870 1.00 0.00 O ATOM 1356 CB GLU A 85 5.864 11.565 -8.395 1.00 0.00 C ATOM 1357 CG GLU A 85 6.532 12.254 -9.614 1.00 0.00 C ATOM 1358 CD GLU A 85 6.445 13.784 -9.609 1.00 0.00 C ATOM 1359 OE1 GLU A 85 5.386 14.325 -9.983 1.00 0.00 O ATOM 1360 OE2 GLU A 85 7.417 14.454 -9.190 1.00 0.00 O ATOM 0 H GLU A 85 6.372 13.881 -7.342 1.00 0.00 H new ATOM 0 HA GLU A 85 5.974 11.181 -6.282 1.00 0.00 H new ATOM 0 HB2 GLU A 85 5.848 10.491 -8.580 1.00 0.00 H new ATOM 0 HB3 GLU A 85 4.826 11.896 -8.346 1.00 0.00 H new ATOM 0 HG2 GLU A 85 7.582 11.963 -9.649 1.00 0.00 H new ATOM 0 HG3 GLU A 85 6.067 11.880 -10.526 1.00 0.00 H new ATOM 1367 N THR A 86 8.681 11.699 -5.824 1.00 0.00 N ATOM 1368 CA THR A 86 10.108 11.415 -5.579 1.00 0.00 C ATOM 1369 C THR A 86 10.383 9.903 -5.579 1.00 0.00 C ATOM 1370 O THR A 86 9.447 9.109 -5.479 1.00 0.00 O ATOM 1371 CB THR A 86 10.558 12.043 -4.206 1.00 0.00 C ATOM 1372 OG1 THR A 86 9.676 11.620 -3.146 1.00 0.00 O ATOM 1373 CG2 THR A 86 10.573 13.581 -4.250 1.00 0.00 C ATOM 0 H THR A 86 8.233 12.181 -5.045 1.00 0.00 H new ATOM 0 HA THR A 86 10.684 11.865 -6.388 1.00 0.00 H new ATOM 0 HB THR A 86 11.572 11.691 -4.017 1.00 0.00 H new ATOM 0 HG1 THR A 86 9.612 10.642 -3.144 1.00 0.00 H new ATOM 0 HG21 THR A 86 10.889 13.970 -3.282 1.00 0.00 H new ATOM 0 HG22 THR A 86 11.268 13.916 -5.020 1.00 0.00 H new ATOM 0 HG23 THR A 86 9.573 13.948 -4.479 1.00 0.00 H new ATOM 1381 N VAL A 87 11.668 9.526 -5.686 1.00 0.00 N ATOM 1382 CA VAL A 87 12.102 8.116 -5.659 1.00 0.00 C ATOM 1383 C VAL A 87 11.600 7.420 -4.363 1.00 0.00 C ATOM 1384 O VAL A 87 11.161 6.260 -4.400 1.00 0.00 O ATOM 1385 CB VAL A 87 13.674 8.015 -5.774 1.00 0.00 C ATOM 1386 CG1 VAL A 87 14.161 6.550 -5.794 1.00 0.00 C ATOM 1387 CG2 VAL A 87 14.196 8.777 -7.018 1.00 0.00 C ATOM 0 H VAL A 87 12.436 10.188 -5.794 1.00 0.00 H new ATOM 0 HA VAL A 87 11.665 7.604 -6.516 1.00 0.00 H new ATOM 0 HB VAL A 87 14.086 8.487 -4.882 1.00 0.00 H new ATOM 0 HG11 VAL A 87 15.248 6.529 -5.874 1.00 0.00 H new ATOM 0 HG12 VAL A 87 13.855 6.052 -4.874 1.00 0.00 H new ATOM 0 HG13 VAL A 87 13.724 6.033 -6.648 1.00 0.00 H new ATOM 0 HG21 VAL A 87 15.281 8.689 -7.070 1.00 0.00 H new ATOM 0 HG22 VAL A 87 13.754 8.350 -7.918 1.00 0.00 H new ATOM 0 HG23 VAL A 87 13.920 9.829 -6.942 1.00 0.00 H new ATOM 1397 N THR A 88 11.634 8.194 -3.245 1.00 0.00 N ATOM 1398 CA THR A 88 11.152 7.782 -1.904 1.00 0.00 C ATOM 1399 C THR A 88 11.925 6.527 -1.410 1.00 0.00 C ATOM 1400 O THR A 88 11.408 5.675 -0.673 1.00 0.00 O ATOM 1401 CB THR A 88 9.582 7.596 -1.882 1.00 0.00 C ATOM 1402 OG1 THR A 88 8.974 8.585 -2.734 1.00 0.00 O ATOM 1403 CG2 THR A 88 8.996 7.749 -0.459 1.00 0.00 C ATOM 0 H THR A 88 12.007 9.143 -3.255 1.00 0.00 H new ATOM 0 HA THR A 88 11.363 8.583 -1.196 1.00 0.00 H new ATOM 0 HB THR A 88 9.368 6.587 -2.233 1.00 0.00 H new ATOM 0 HG1 THR A 88 9.229 8.416 -3.665 1.00 0.00 H new ATOM 0 HG21 THR A 88 7.915 7.613 -0.494 1.00 0.00 H new ATOM 0 HG22 THR A 88 9.435 6.998 0.198 1.00 0.00 H new ATOM 0 HG23 THR A 88 9.224 8.744 -0.077 1.00 0.00 H new ATOM 1411 N ASP A 89 13.208 6.482 -1.810 1.00 0.00 N ATOM 1412 CA ASP A 89 14.140 5.397 -1.501 1.00 0.00 C ATOM 1413 C ASP A 89 14.476 5.366 0.005 1.00 0.00 C ATOM 1414 O ASP A 89 15.228 6.222 0.499 1.00 0.00 O ATOM 1415 CB ASP A 89 15.417 5.590 -2.354 1.00 0.00 C ATOM 1416 CG ASP A 89 16.538 4.594 -2.032 1.00 0.00 C ATOM 1417 OD1 ASP A 89 16.322 3.373 -2.172 1.00 0.00 O ATOM 1418 OD2 ASP A 89 17.641 5.027 -1.635 1.00 0.00 O ATOM 0 H ASP A 89 13.631 7.221 -2.371 1.00 0.00 H new ATOM 0 HA ASP A 89 13.680 4.439 -1.743 1.00 0.00 H new ATOM 0 HB2 ASP A 89 15.155 5.498 -3.408 1.00 0.00 H new ATOM 0 HB3 ASP A 89 15.791 6.603 -2.206 1.00 0.00 H new ATOM 1423 N LEU A 90 13.838 4.407 0.719 1.00 0.00 N ATOM 1424 CA LEU A 90 14.033 4.152 2.168 1.00 0.00 C ATOM 1425 C LEU A 90 13.618 5.359 3.047 1.00 0.00 C ATOM 1426 O LEU A 90 13.909 5.391 4.244 1.00 0.00 O ATOM 1427 CB LEU A 90 15.499 3.689 2.465 1.00 0.00 C ATOM 1428 CG LEU A 90 15.953 2.355 1.780 1.00 0.00 C ATOM 1429 CD1 LEU A 90 17.419 2.012 2.131 1.00 0.00 C ATOM 1430 CD2 LEU A 90 15.008 1.189 2.144 1.00 0.00 C ATOM 0 H LEU A 90 13.159 3.775 0.295 1.00 0.00 H new ATOM 0 HA LEU A 90 13.364 3.336 2.441 1.00 0.00 H new ATOM 0 HB2 LEU A 90 16.179 4.483 2.155 1.00 0.00 H new ATOM 0 HB3 LEU A 90 15.611 3.576 3.543 1.00 0.00 H new ATOM 0 HG LEU A 90 15.897 2.505 0.702 1.00 0.00 H new ATOM 0 HD11 LEU A 90 17.702 1.081 1.640 1.00 0.00 H new ATOM 0 HD12 LEU A 90 18.072 2.815 1.790 1.00 0.00 H new ATOM 0 HD13 LEU A 90 17.517 1.897 3.210 1.00 0.00 H new ATOM 0 HD21 LEU A 90 15.349 0.277 1.654 1.00 0.00 H new ATOM 0 HD22 LEU A 90 15.010 1.043 3.224 1.00 0.00 H new ATOM 0 HD23 LEU A 90 13.997 1.423 1.812 1.00 0.00 H new ATOM 1442 N SER A 91 12.893 6.318 2.445 1.00 0.00 N ATOM 1443 CA SER A 91 12.512 7.580 3.098 1.00 0.00 C ATOM 1444 C SER A 91 11.392 7.352 4.139 1.00 0.00 C ATOM 1445 O SER A 91 10.319 6.868 3.782 1.00 0.00 O ATOM 1446 CB SER A 91 12.063 8.582 2.009 1.00 0.00 C ATOM 1447 OG SER A 91 13.070 8.744 1.014 1.00 0.00 O ATOM 0 H SER A 91 12.554 6.238 1.486 1.00 0.00 H new ATOM 0 HA SER A 91 13.369 7.985 3.636 1.00 0.00 H new ATOM 0 HB2 SER A 91 11.142 8.230 1.545 1.00 0.00 H new ATOM 0 HB3 SER A 91 11.841 9.546 2.467 1.00 0.00 H new ATOM 0 HG SER A 91 12.761 9.381 0.336 1.00 0.00 H new ATOM 1453 N GLN A 92 11.652 7.680 5.427 1.00 0.00 N ATOM 1454 CA GLN A 92 10.651 7.520 6.498 1.00 0.00 C ATOM 1455 C GLN A 92 9.426 8.411 6.215 1.00 0.00 C ATOM 1456 O GLN A 92 9.482 9.633 6.409 1.00 0.00 O ATOM 1457 CB GLN A 92 11.263 7.857 7.879 1.00 0.00 C ATOM 1458 CG GLN A 92 12.457 6.968 8.299 1.00 0.00 C ATOM 1459 CD GLN A 92 12.999 7.284 9.702 1.00 0.00 C ATOM 1460 OE1 GLN A 92 12.258 7.708 10.597 1.00 0.00 O ATOM 1461 NE2 GLN A 92 14.302 7.105 9.897 1.00 0.00 N ATOM 0 H GLN A 92 12.545 8.056 5.745 1.00 0.00 H new ATOM 0 HA GLN A 92 10.329 6.479 6.518 1.00 0.00 H new ATOM 0 HB2 GLN A 92 11.589 8.897 7.871 1.00 0.00 H new ATOM 0 HB3 GLN A 92 10.483 7.773 8.636 1.00 0.00 H new ATOM 0 HG2 GLN A 92 12.150 5.923 8.265 1.00 0.00 H new ATOM 0 HG3 GLN A 92 13.261 7.088 7.573 1.00 0.00 H new ATOM 0 HE21 GLN A 92 14.888 6.754 9.139 1.00 0.00 H new ATOM 0 HE22 GLN A 92 14.716 7.319 10.804 1.00 0.00 H new ATOM 1470 N ILE A 93 8.348 7.795 5.693 1.00 0.00 N ATOM 1471 CA ILE A 93 7.133 8.521 5.311 1.00 0.00 C ATOM 1472 C ILE A 93 6.372 9.013 6.556 1.00 0.00 C ATOM 1473 O ILE A 93 5.807 8.230 7.320 1.00 0.00 O ATOM 1474 CB ILE A 93 6.193 7.678 4.356 1.00 0.00 C ATOM 1475 CG1 ILE A 93 5.778 6.306 4.995 1.00 0.00 C ATOM 1476 CG2 ILE A 93 6.879 7.476 2.988 1.00 0.00 C ATOM 1477 CD1 ILE A 93 4.652 5.565 4.288 1.00 0.00 C ATOM 0 H ILE A 93 8.300 6.790 5.528 1.00 0.00 H new ATOM 0 HA ILE A 93 7.452 9.392 4.738 1.00 0.00 H new ATOM 0 HB ILE A 93 5.271 8.241 4.208 1.00 0.00 H new ATOM 0 HG12 ILE A 93 6.654 5.658 5.022 1.00 0.00 H new ATOM 0 HG13 ILE A 93 5.480 6.482 6.029 1.00 0.00 H new ATOM 0 HG21 ILE A 93 6.227 6.895 2.336 1.00 0.00 H new ATOM 0 HG22 ILE A 93 7.076 8.447 2.533 1.00 0.00 H new ATOM 0 HG23 ILE A 93 7.820 6.943 3.128 1.00 0.00 H new ATOM 0 HD11 ILE A 93 4.446 4.631 4.812 1.00 0.00 H new ATOM 0 HD12 ILE A 93 3.755 6.184 4.284 1.00 0.00 H new ATOM 0 HD13 ILE A 93 4.948 5.348 3.262 1.00 0.00 H new ATOM 1489 N VAL A 94 6.428 10.327 6.800 1.00 0.00 N ATOM 1490 CA VAL A 94 5.613 10.993 7.811 1.00 0.00 C ATOM 1491 C VAL A 94 4.818 12.071 7.070 1.00 0.00 C ATOM 1492 O VAL A 94 5.270 13.203 6.905 1.00 0.00 O ATOM 1493 CB VAL A 94 6.488 11.626 8.956 1.00 0.00 C ATOM 1494 CG1 VAL A 94 5.595 12.293 10.031 1.00 0.00 C ATOM 1495 CG2 VAL A 94 7.439 10.578 9.587 1.00 0.00 C ATOM 0 H VAL A 94 7.047 10.960 6.294 1.00 0.00 H new ATOM 0 HA VAL A 94 4.957 10.277 8.306 1.00 0.00 H new ATOM 0 HB VAL A 94 7.109 12.402 8.508 1.00 0.00 H new ATOM 0 HG11 VAL A 94 6.224 12.723 10.811 1.00 0.00 H new ATOM 0 HG12 VAL A 94 4.998 13.081 9.571 1.00 0.00 H new ATOM 0 HG13 VAL A 94 4.933 11.546 10.469 1.00 0.00 H new ATOM 0 HG21 VAL A 94 8.028 11.049 10.374 1.00 0.00 H new ATOM 0 HG22 VAL A 94 6.852 9.763 10.011 1.00 0.00 H new ATOM 0 HG23 VAL A 94 8.106 10.184 8.820 1.00 0.00 H new ATOM 1505 N TRP A 95 3.683 11.662 6.525 1.00 0.00 N ATOM 1506 CA TRP A 95 2.778 12.543 5.771 1.00 0.00 C ATOM 1507 C TRP A 95 1.443 12.673 6.516 1.00 0.00 C ATOM 1508 O TRP A 95 1.177 11.854 7.410 1.00 0.00 O ATOM 1509 CB TRP A 95 2.611 12.011 4.322 1.00 0.00 C ATOM 1510 CG TRP A 95 2.220 10.560 4.139 1.00 0.00 C ATOM 1511 CD1 TRP A 95 1.288 9.821 4.826 1.00 0.00 C ATOM 1512 CD2 TRP A 95 2.725 9.701 3.115 1.00 0.00 C ATOM 1513 NE1 TRP A 95 1.223 8.557 4.308 1.00 0.00 N ATOM 1514 CE2 TRP A 95 2.089 8.463 3.256 1.00 0.00 C ATOM 1515 CE3 TRP A 95 3.669 9.869 2.096 1.00 0.00 C ATOM 1516 CZ2 TRP A 95 2.365 7.396 2.423 1.00 0.00 C ATOM 1517 CZ3 TRP A 95 3.938 8.806 1.265 1.00 0.00 C ATOM 1518 CH2 TRP A 95 3.285 7.584 1.436 1.00 0.00 C ATOM 0 H TRP A 95 3.352 10.699 6.589 1.00 0.00 H new ATOM 0 HA TRP A 95 3.202 13.544 5.695 1.00 0.00 H new ATOM 0 HB2 TRP A 95 1.859 12.625 3.825 1.00 0.00 H new ATOM 0 HB3 TRP A 95 3.552 12.172 3.796 1.00 0.00 H new ATOM 0 HD1 TRP A 95 0.695 10.184 5.652 1.00 0.00 H new ATOM 0 HE1 TRP A 95 0.625 7.806 4.652 1.00 0.00 H new ATOM 0 HE3 TRP A 95 4.176 10.814 1.965 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 1.868 6.445 2.550 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 4.662 8.918 0.472 1.00 0.00 H new ATOM 0 HH2 TRP A 95 3.515 6.767 0.769 1.00 0.00 H new ATOM 1529 N PRO A 96 0.581 13.696 6.183 1.00 0.00 N ATOM 1530 CA PRO A 96 -0.706 13.889 6.877 1.00 0.00 C ATOM 1531 C PRO A 96 -1.612 12.634 6.830 1.00 0.00 C ATOM 1532 O PRO A 96 -1.682 11.909 5.824 1.00 0.00 O ATOM 1533 CB PRO A 96 -1.353 15.107 6.145 1.00 0.00 C ATOM 1534 CG PRO A 96 -0.630 15.192 4.835 1.00 0.00 C ATOM 1535 CD PRO A 96 0.780 14.746 5.134 1.00 0.00 C ATOM 0 HA PRO A 96 -0.567 14.066 7.943 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -2.423 14.958 5.998 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -1.235 16.024 6.722 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -1.095 14.552 4.086 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -0.647 16.208 4.441 1.00 0.00 H new ATOM 0 HD2 PRO A 96 1.274 14.345 4.249 1.00 0.00 H new ATOM 0 HD3 PRO A 96 1.396 15.569 5.497 1.00 0.00 H new ATOM 1543 N GLN A 97 -2.219 12.355 7.977 1.00 0.00 N ATOM 1544 CA GLN A 97 -3.350 11.430 8.088 1.00 0.00 C ATOM 1545 C GLN A 97 -4.625 12.230 7.757 1.00 0.00 C ATOM 1546 O GLN A 97 -4.576 13.476 7.720 1.00 0.00 O ATOM 1547 CB GLN A 97 -3.385 10.807 9.514 1.00 0.00 C ATOM 1548 CG GLN A 97 -4.435 9.692 9.730 1.00 0.00 C ATOM 1549 CD GLN A 97 -4.347 8.993 11.094 1.00 0.00 C ATOM 1550 OE1 GLN A 97 -3.140 8.817 11.619 1.00 0.00 O flip ATOM 1551 NE2 GLN A 97 -5.363 8.589 11.659 1.00 0.00 N flip ATOM 0 H GLN A 97 -1.940 12.767 8.868 1.00 0.00 H new ATOM 0 HA GLN A 97 -3.263 10.596 7.392 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -2.399 10.401 9.738 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -3.573 11.603 10.234 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -5.431 10.121 9.619 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -4.321 8.945 8.945 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -6.277 8.738 11.232 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -5.291 8.105 12.554 1.00 0.00 H new ATOM 1560 N LEU A 98 -5.733 11.533 7.446 1.00 0.00 N ATOM 1561 CA LEU A 98 -7.017 12.198 7.155 1.00 0.00 C ATOM 1562 C LEU A 98 -7.417 13.179 8.301 1.00 0.00 C ATOM 1563 O LEU A 98 -7.218 12.866 9.482 1.00 0.00 O ATOM 1564 CB LEU A 98 -8.140 11.170 6.803 1.00 0.00 C ATOM 1565 CG LEU A 98 -8.381 9.967 7.767 1.00 0.00 C ATOM 1566 CD1 LEU A 98 -9.085 10.366 9.086 1.00 0.00 C ATOM 1567 CD2 LEU A 98 -9.162 8.832 7.058 1.00 0.00 C ATOM 0 H LEU A 98 -5.766 10.515 7.390 1.00 0.00 H new ATOM 0 HA LEU A 98 -6.885 12.806 6.260 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -9.077 11.720 6.719 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -7.919 10.764 5.816 1.00 0.00 H new ATOM 0 HG LEU A 98 -7.391 9.602 8.041 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -9.221 9.481 9.708 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -8.473 11.094 9.619 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -10.057 10.804 8.861 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -9.316 8.007 7.753 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -10.128 9.209 6.723 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -8.592 8.480 6.198 1.00 0.00 H new ATOM 1579 N PRO A 99 -7.912 14.405 7.953 1.00 0.00 N ATOM 1580 CA PRO A 99 -8.111 15.496 8.938 1.00 0.00 C ATOM 1581 C PRO A 99 -9.256 15.209 9.939 1.00 0.00 C ATOM 1582 O PRO A 99 -9.126 15.476 11.135 1.00 0.00 O ATOM 1583 CB PRO A 99 -8.417 16.720 8.037 1.00 0.00 C ATOM 1584 CG PRO A 99 -9.021 16.137 6.789 1.00 0.00 C ATOM 1585 CD PRO A 99 -8.301 14.824 6.575 1.00 0.00 C ATOM 0 HA PRO A 99 -7.244 15.638 9.584 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -9.106 17.408 8.526 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -7.511 17.282 7.812 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -10.094 15.983 6.906 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -8.885 16.804 5.937 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -8.947 14.086 6.100 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -7.429 14.946 5.932 1.00 0.00 H new ATOM 1593 N VAL A 100 -10.352 14.631 9.435 1.00 0.00 N ATOM 1594 CA VAL A 100 -11.578 14.403 10.210 1.00 0.00 C ATOM 1595 C VAL A 100 -11.507 13.019 10.911 1.00 0.00 C ATOM 1596 O VAL A 100 -11.132 12.964 12.102 1.00 0.00 O ATOM 1597 CB VAL A 100 -12.849 14.514 9.287 1.00 0.00 C ATOM 1598 CG1 VAL A 100 -14.145 14.416 10.133 1.00 0.00 C ATOM 1599 CG2 VAL A 100 -12.820 15.816 8.428 1.00 0.00 C ATOM 1600 OXT VAL A 100 -11.778 11.996 10.257 1.00 0.00 O ATOM 0 H VAL A 100 -10.414 14.306 8.470 1.00 0.00 H new ATOM 0 HA VAL A 100 -11.663 15.173 10.977 1.00 0.00 H new ATOM 0 HB VAL A 100 -12.837 13.675 8.591 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -15.013 14.495 9.479 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -14.168 13.459 10.653 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -14.166 15.226 10.862 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -13.712 15.860 7.803 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -12.794 16.685 9.085 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -11.933 15.814 7.794 1.00 0.00 H new TER 1610 VAL A 100