USER MOD reduce.3.24.130724 H: found=0, std=0, add=969, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 969 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 39 HIS : no HD1:sc= -0.0068 X(o=-0.017,f=0) USER MOD Set 1.2: A 109 TYR OH : rot 180:sc= -0.0107 USER MOD Set 2.1: A 81 CYS SG : rot 180:sc= 0.813 USER MOD Set 2.2: A 83 SER OG : rot -66:sc= 1.07 USER MOD Set 3.1: A 31 THR OG1 : rot 87:sc= 1.03 USER MOD Set 3.2: A 40 THR OG1 : rot 37:sc= 1.47 USER MOD Single : A 1 MET CE :methyl 159:sc= -0.194 (180deg=-0.691) USER MOD Single : A 1 MET N :NH3+ -117:sc= 0.0564 (180deg=-0.00566) USER MOD Single : A 3 GLN : amide:sc= 0.244 X(o=0.24,f=-0.017) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 CYS SG : rot -170:sc= -2.69! USER MOD Single : A 16 CYS SG : rot -10:sc= 0.00631 USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 48:sc= -0.059 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc=-0.00722 X(o=-0.0072,f=0) USER MOD Single : A 29 CYS SG : rot -18:sc= -2.37! USER MOD Single : A 30 GLN : amide:sc= 0.0993 X(o=0.099,f=-0.32) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 CYS SG : rot 72:sc= 0.0877 USER MOD Single : A 45 MET CE :methyl -174:sc= -2.01 (180deg=-2.21) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.152 USER MOD Single : A 53 SER OG : rot 73:sc= 0.162 USER MOD Single : A 58 ASN : amide:sc= -0.207 X(o=-0.21,f=0) USER MOD Single : A 61 MET CE :methyl 180:sc= -2.9 (180deg=-2.9) USER MOD Single : A 62 THR OG1 : rot -15:sc= 0.347 USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=-0.071) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 CYS SG : rot -31:sc= -0.0751 USER MOD Single : A 86 GLN : amide:sc= -2.44! C(o=-2.4!,f=-3.5!) USER MOD Single : A 93 MET CE :methyl 136:sc= -0.292 (180deg=-0.822) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot -43:sc= 1.09 USER MOD Single : A 104 LYS NZ :NH3+ -132:sc= -0.217 (180deg=-0.788) USER MOD Single : A 105 SER OG : rot -110:sc= -0.288 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 116 GLN : amide:sc= -0.142 X(o=-0.14,f=-0.26) USER MOD Single : A 118 HIS : no HE2:sc= -0.952 K(o=-0.95,f=-2.2) USER MOD Single : A 125 HIS : no HD1:sc= -0.438 X(o=-0.44,f=-0.18) USER MOD Single : A 126 HIS : no HE2:sc= 0.0256 K(o=0.026,f=-2!) USER MOD Single : A 127 HIS : no HD1:sc= -0.145 X(o=-0.14,f=-0.017) USER MOD Single : A 128 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 129 HIS : no HD1:sc= -0.0276 X(o=-0.028,f=-0.0044) USER MOD Single : A 130 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 26.314 9.521 -37.479 1.00 0.00 N ATOM 2 CA MET A 1 27.749 9.407 -37.087 1.00 0.00 C ATOM 3 C MET A 1 27.927 9.484 -35.552 1.00 0.00 C ATOM 4 O MET A 1 27.019 9.913 -34.833 1.00 0.00 O ATOM 5 CB MET A 1 28.589 10.519 -37.771 1.00 0.00 C ATOM 6 CG MET A 1 28.665 10.433 -39.302 1.00 0.00 C ATOM 7 SD MET A 1 29.714 11.726 -40.012 1.00 0.00 S ATOM 8 CE MET A 1 31.307 11.386 -39.250 1.00 0.00 C ATOM 0 H1 MET A 1 26.011 8.642 -37.945 1.00 0.00 H new ATOM 0 H2 MET A 1 25.734 9.681 -36.631 1.00 0.00 H new ATOM 0 H3 MET A 1 26.196 10.320 -38.135 1.00 0.00 H new ATOM 0 HA MET A 1 28.103 8.432 -37.421 1.00 0.00 H new ATOM 0 HB2 MET A 1 28.171 11.488 -37.498 1.00 0.00 H new ATOM 0 HB3 MET A 1 29.602 10.485 -37.370 1.00 0.00 H new ATOM 0 HG2 MET A 1 29.052 9.456 -39.590 1.00 0.00 H new ATOM 0 HG3 MET A 1 27.661 10.514 -39.718 1.00 0.00 H new ATOM 0 HE1 MET A 1 32.100 11.834 -39.849 1.00 0.00 H new ATOM 0 HE2 MET A 1 31.328 11.809 -38.246 1.00 0.00 H new ATOM 0 HE3 MET A 1 31.461 10.308 -39.193 1.00 0.00 H new ATOM 20 N GLY A 2 29.122 9.070 -35.071 1.00 0.00 N ATOM 21 CA GLY A 2 29.477 9.162 -33.644 1.00 0.00 C ATOM 22 C GLY A 2 28.639 8.261 -32.728 1.00 0.00 C ATOM 23 O GLY A 2 28.151 8.706 -31.681 1.00 0.00 O ATOM 0 H GLY A 2 29.855 8.669 -35.655 1.00 0.00 H new ATOM 0 HA2 GLY A 2 30.529 8.903 -33.526 1.00 0.00 H new ATOM 0 HA3 GLY A 2 29.365 10.196 -33.319 1.00 0.00 H new ATOM 27 N GLN A 3 28.474 6.991 -33.130 1.00 0.00 N ATOM 28 CA GLN A 3 27.710 5.983 -32.364 1.00 0.00 C ATOM 29 C GLN A 3 28.596 4.752 -32.053 1.00 0.00 C ATOM 30 O GLN A 3 28.815 3.892 -32.918 1.00 0.00 O ATOM 31 CB GLN A 3 26.438 5.570 -33.151 1.00 0.00 C ATOM 32 CG GLN A 3 25.512 4.552 -32.441 1.00 0.00 C ATOM 33 CD GLN A 3 24.948 5.059 -31.106 1.00 0.00 C ATOM 34 OE1 GLN A 3 23.896 5.692 -31.059 1.00 0.00 O ATOM 35 NE2 GLN A 3 25.637 4.776 -30.014 1.00 0.00 N ATOM 0 H GLN A 3 28.867 6.629 -33.999 1.00 0.00 H new ATOM 0 HA GLN A 3 27.400 6.420 -31.415 1.00 0.00 H new ATOM 0 HB2 GLN A 3 25.860 6.468 -33.370 1.00 0.00 H new ATOM 0 HB3 GLN A 3 26.746 5.148 -34.108 1.00 0.00 H new ATOM 0 HG2 GLN A 3 24.684 4.303 -33.104 1.00 0.00 H new ATOM 0 HG3 GLN A 3 26.067 3.631 -32.265 1.00 0.00 H new ATOM 0 HE21 GLN A 3 26.507 4.249 -30.083 1.00 0.00 H new ATOM 0 HE22 GLN A 3 25.298 5.085 -29.103 1.00 0.00 H new ATOM 44 N GLY A 4 29.139 4.713 -30.824 1.00 0.00 N ATOM 45 CA GLY A 4 29.907 3.560 -30.327 1.00 0.00 C ATOM 46 C GLY A 4 29.043 2.545 -29.572 1.00 0.00 C ATOM 47 O GLY A 4 27.815 2.683 -29.505 1.00 0.00 O ATOM 0 H GLY A 4 29.058 5.475 -30.151 1.00 0.00 H new ATOM 0 HA2 GLY A 4 30.390 3.063 -31.168 1.00 0.00 H new ATOM 0 HA3 GLY A 4 30.700 3.915 -29.668 1.00 0.00 H new ATOM 51 N GLN A 5 29.689 1.519 -28.992 1.00 0.00 N ATOM 52 CA GLN A 5 28.996 0.453 -28.230 1.00 0.00 C ATOM 53 C GLN A 5 28.885 0.822 -26.728 1.00 0.00 C ATOM 54 O GLN A 5 29.822 1.380 -26.145 1.00 0.00 O ATOM 55 CB GLN A 5 29.752 -0.895 -28.411 1.00 0.00 C ATOM 56 CG GLN A 5 29.152 -2.096 -27.637 1.00 0.00 C ATOM 57 CD GLN A 5 29.896 -3.405 -27.907 1.00 0.00 C ATOM 58 OE1 GLN A 5 30.850 -3.745 -27.215 1.00 0.00 O ATOM 59 NE2 GLN A 5 29.470 -4.144 -28.916 1.00 0.00 N ATOM 0 H GLN A 5 30.701 1.401 -29.035 1.00 0.00 H new ATOM 0 HA GLN A 5 27.983 0.349 -28.619 1.00 0.00 H new ATOM 0 HB2 GLN A 5 29.774 -1.142 -29.473 1.00 0.00 H new ATOM 0 HB3 GLN A 5 30.786 -0.759 -28.094 1.00 0.00 H new ATOM 0 HG2 GLN A 5 29.177 -1.883 -26.568 1.00 0.00 H new ATOM 0 HG3 GLN A 5 28.105 -2.215 -27.914 1.00 0.00 H new ATOM 0 HE21 GLN A 5 28.674 -3.835 -29.474 1.00 0.00 H new ATOM 0 HE22 GLN A 5 29.937 -5.023 -29.137 1.00 0.00 H new ATOM 68 N ASN A 6 27.728 0.504 -26.118 1.00 0.00 N ATOM 69 CA ASN A 6 27.471 0.703 -24.670 1.00 0.00 C ATOM 70 C ASN A 6 27.393 -0.663 -23.950 1.00 0.00 C ATOM 71 O ASN A 6 27.046 -1.678 -24.569 1.00 0.00 O ATOM 72 CB ASN A 6 26.150 1.493 -24.471 1.00 0.00 C ATOM 73 CG ASN A 6 26.173 2.855 -25.169 1.00 0.00 C ATOM 74 OD1 ASN A 6 25.809 2.973 -26.335 1.00 0.00 O ATOM 75 ND2 ASN A 6 26.624 3.883 -24.476 1.00 0.00 N ATOM 0 H ASN A 6 26.936 0.098 -26.616 1.00 0.00 H new ATOM 0 HA ASN A 6 28.292 1.276 -24.240 1.00 0.00 H new ATOM 0 HB2 ASN A 6 25.317 0.905 -24.856 1.00 0.00 H new ATOM 0 HB3 ASN A 6 25.973 1.637 -23.405 1.00 0.00 H new ATOM 0 HD21 ASN A 6 26.677 4.805 -24.908 1.00 0.00 H new ATOM 0 HD22 ASN A 6 26.920 3.755 -23.508 1.00 0.00 H new ATOM 82 N VAL A 7 27.687 -0.669 -22.631 1.00 0.00 N ATOM 83 CA VAL A 7 27.616 -1.899 -21.782 1.00 0.00 C ATOM 84 C VAL A 7 26.153 -2.390 -21.646 1.00 0.00 C ATOM 85 O VAL A 7 25.883 -3.573 -21.440 1.00 0.00 O ATOM 86 CB VAL A 7 28.238 -1.655 -20.340 1.00 0.00 C ATOM 87 CG1 VAL A 7 29.529 -0.819 -20.437 1.00 0.00 C ATOM 88 CG2 VAL A 7 27.238 -0.998 -19.342 1.00 0.00 C ATOM 0 H VAL A 7 27.978 0.165 -22.121 1.00 0.00 H new ATOM 0 HA VAL A 7 28.206 -2.668 -22.281 1.00 0.00 H new ATOM 0 HB VAL A 7 28.476 -2.640 -19.939 1.00 0.00 H new ATOM 0 HG11 VAL A 7 29.938 -0.664 -19.439 1.00 0.00 H new ATOM 0 HG12 VAL A 7 30.259 -1.347 -21.050 1.00 0.00 H new ATOM 0 HG13 VAL A 7 29.304 0.146 -20.891 1.00 0.00 H new ATOM 0 HG21 VAL A 7 27.725 -0.859 -18.377 1.00 0.00 H new ATOM 0 HG22 VAL A 7 26.919 -0.031 -19.730 1.00 0.00 H new ATOM 0 HG23 VAL A 7 26.369 -1.644 -19.220 1.00 0.00 H new ATOM 98 N LEU A 8 25.234 -1.427 -21.786 1.00 0.00 N ATOM 99 CA LEU A 8 23.784 -1.623 -21.646 1.00 0.00 C ATOM 100 C LEU A 8 23.178 -2.376 -22.862 1.00 0.00 C ATOM 101 O LEU A 8 22.080 -2.937 -22.780 1.00 0.00 O ATOM 102 CB LEU A 8 23.137 -0.237 -21.474 1.00 0.00 C ATOM 103 CG LEU A 8 23.671 0.617 -20.278 1.00 0.00 C ATOM 104 CD1 LEU A 8 22.975 1.977 -20.235 1.00 0.00 C ATOM 105 CD2 LEU A 8 23.526 -0.134 -18.927 1.00 0.00 C ATOM 0 H LEU A 8 25.484 -0.463 -22.006 1.00 0.00 H new ATOM 0 HA LEU A 8 23.584 -2.247 -20.775 1.00 0.00 H new ATOM 0 HB2 LEU A 8 23.283 0.329 -22.394 1.00 0.00 H new ATOM 0 HB3 LEU A 8 22.062 -0.371 -21.350 1.00 0.00 H new ATOM 0 HG LEU A 8 24.736 0.785 -20.438 1.00 0.00 H new ATOM 0 HD11 LEU A 8 23.360 2.556 -19.396 1.00 0.00 H new ATOM 0 HD12 LEU A 8 23.166 2.513 -21.165 1.00 0.00 H new ATOM 0 HD13 LEU A 8 21.901 1.833 -20.114 1.00 0.00 H new ATOM 0 HD21 LEU A 8 23.908 0.492 -18.120 1.00 0.00 H new ATOM 0 HD22 LEU A 8 22.475 -0.358 -18.746 1.00 0.00 H new ATOM 0 HD23 LEU A 8 24.094 -1.064 -18.965 1.00 0.00 H new ATOM 117 N GLY A 9 23.926 -2.366 -23.984 1.00 0.00 N ATOM 118 CA GLY A 9 23.540 -3.067 -25.220 1.00 0.00 C ATOM 119 C GLY A 9 23.698 -4.599 -25.161 1.00 0.00 C ATOM 120 O GLY A 9 23.170 -5.304 -26.030 1.00 0.00 O ATOM 0 H GLY A 9 24.815 -1.871 -24.056 1.00 0.00 H new ATOM 0 HA2 GLY A 9 22.501 -2.830 -25.448 1.00 0.00 H new ATOM 0 HA3 GLY A 9 24.142 -2.684 -26.044 1.00 0.00 H new ATOM 124 N GLN A 10 24.426 -5.117 -24.144 1.00 0.00 N ATOM 125 CA GLN A 10 24.661 -6.575 -23.980 1.00 0.00 C ATOM 126 C GLN A 10 24.901 -6.945 -22.494 1.00 0.00 C ATOM 127 O GLN A 10 25.765 -6.361 -21.833 1.00 0.00 O ATOM 128 CB GLN A 10 25.857 -7.033 -24.867 1.00 0.00 C ATOM 129 CG GLN A 10 27.169 -6.240 -24.655 1.00 0.00 C ATOM 130 CD GLN A 10 28.281 -6.673 -25.610 1.00 0.00 C ATOM 131 OE1 GLN A 10 28.409 -6.149 -26.712 1.00 0.00 O ATOM 132 NE2 GLN A 10 29.084 -7.643 -25.207 1.00 0.00 N ATOM 0 H GLN A 10 24.863 -4.546 -23.421 1.00 0.00 H new ATOM 0 HA GLN A 10 23.764 -7.101 -24.307 1.00 0.00 H new ATOM 0 HB2 GLN A 10 26.052 -8.088 -24.672 1.00 0.00 H new ATOM 0 HB3 GLN A 10 25.566 -6.951 -25.914 1.00 0.00 H new ATOM 0 HG2 GLN A 10 26.972 -5.177 -24.792 1.00 0.00 H new ATOM 0 HG3 GLN A 10 27.507 -6.372 -23.627 1.00 0.00 H new ATOM 0 HE21 GLN A 10 28.956 -8.062 -24.286 1.00 0.00 H new ATOM 0 HE22 GLN A 10 29.832 -7.973 -25.817 1.00 0.00 H new ATOM 141 N ASP A 11 24.132 -7.933 -21.988 1.00 0.00 N ATOM 142 CA ASP A 11 24.191 -8.380 -20.568 1.00 0.00 C ATOM 143 C ASP A 11 23.455 -9.751 -20.397 1.00 0.00 C ATOM 144 O ASP A 11 22.906 -10.282 -21.370 1.00 0.00 O ATOM 145 CB ASP A 11 23.569 -7.269 -19.661 1.00 0.00 C ATOM 146 CG ASP A 11 23.856 -7.459 -18.163 1.00 0.00 C ATOM 147 OD1 ASP A 11 24.964 -7.108 -17.710 1.00 0.00 O ATOM 148 OD2 ASP A 11 22.982 -7.975 -17.437 1.00 0.00 O ATOM 0 H ASP A 11 23.451 -8.447 -22.547 1.00 0.00 H new ATOM 0 HA ASP A 11 25.227 -8.534 -20.267 1.00 0.00 H new ATOM 0 HB2 ASP A 11 23.954 -6.299 -19.975 1.00 0.00 H new ATOM 0 HB3 ASP A 11 22.490 -7.249 -19.815 1.00 0.00 H new ATOM 153 N LEU A 12 23.464 -10.319 -19.165 1.00 0.00 N ATOM 154 CA LEU A 12 22.772 -11.598 -18.829 1.00 0.00 C ATOM 155 C LEU A 12 21.251 -11.542 -19.162 1.00 0.00 C ATOM 156 O LEU A 12 20.549 -10.603 -18.768 1.00 0.00 O ATOM 157 CB LEU A 12 22.965 -11.958 -17.321 1.00 0.00 C ATOM 158 CG LEU A 12 24.388 -12.458 -16.879 1.00 0.00 C ATOM 159 CD1 LEU A 12 25.451 -11.336 -16.915 1.00 0.00 C ATOM 160 CD2 LEU A 12 24.329 -13.121 -15.483 1.00 0.00 C ATOM 0 H LEU A 12 23.952 -9.905 -18.371 1.00 0.00 H new ATOM 0 HA LEU A 12 23.227 -12.373 -19.445 1.00 0.00 H new ATOM 0 HB2 LEU A 12 22.717 -11.077 -16.729 1.00 0.00 H new ATOM 0 HB3 LEU A 12 22.240 -12.730 -17.062 1.00 0.00 H new ATOM 0 HG LEU A 12 24.700 -13.207 -17.607 1.00 0.00 H new ATOM 0 HD11 LEU A 12 26.414 -11.737 -16.600 1.00 0.00 H new ATOM 0 HD12 LEU A 12 25.534 -10.946 -17.929 1.00 0.00 H new ATOM 0 HD13 LEU A 12 25.155 -10.533 -16.241 1.00 0.00 H new ATOM 0 HD21 LEU A 12 25.325 -13.459 -15.198 1.00 0.00 H new ATOM 0 HD22 LEU A 12 23.969 -12.398 -14.752 1.00 0.00 H new ATOM 0 HD23 LEU A 12 23.651 -13.974 -15.514 1.00 0.00 H new ATOM 172 N GLU A 13 20.773 -12.571 -19.883 1.00 0.00 N ATOM 173 CA GLU A 13 19.359 -12.694 -20.327 1.00 0.00 C ATOM 174 C GLU A 13 18.477 -13.377 -19.252 1.00 0.00 C ATOM 175 O GLU A 13 18.955 -13.714 -18.162 1.00 0.00 O ATOM 176 CB GLU A 13 19.274 -13.474 -21.681 1.00 0.00 C ATOM 177 CG GLU A 13 19.722 -14.965 -21.657 1.00 0.00 C ATOM 178 CD GLU A 13 21.246 -15.167 -21.524 1.00 0.00 C ATOM 179 OE1 GLU A 13 21.964 -15.034 -22.540 1.00 0.00 O ATOM 180 OE2 GLU A 13 21.736 -15.450 -20.410 1.00 0.00 O ATOM 0 H GLU A 13 21.357 -13.352 -20.181 1.00 0.00 H new ATOM 0 HA GLU A 13 18.974 -11.685 -20.477 1.00 0.00 H new ATOM 0 HB2 GLU A 13 18.243 -13.434 -22.033 1.00 0.00 H new ATOM 0 HB3 GLU A 13 19.883 -12.947 -22.416 1.00 0.00 H new ATOM 0 HG2 GLU A 13 19.227 -15.468 -20.826 1.00 0.00 H new ATOM 0 HG3 GLU A 13 19.381 -15.450 -22.572 1.00 0.00 H new ATOM 187 N VAL A 14 17.181 -13.576 -19.578 1.00 0.00 N ATOM 188 CA VAL A 14 16.211 -14.198 -18.659 1.00 0.00 C ATOM 189 C VAL A 14 16.522 -15.707 -18.416 1.00 0.00 C ATOM 190 O VAL A 14 16.845 -16.457 -19.349 1.00 0.00 O ATOM 191 CB VAL A 14 14.731 -13.997 -19.173 1.00 0.00 C ATOM 192 CG1 VAL A 14 14.504 -14.653 -20.560 1.00 0.00 C ATOM 193 CG2 VAL A 14 13.694 -14.495 -18.131 1.00 0.00 C ATOM 0 H VAL A 14 16.783 -13.311 -20.479 1.00 0.00 H new ATOM 0 HA VAL A 14 16.307 -13.692 -17.699 1.00 0.00 H new ATOM 0 HB VAL A 14 14.580 -12.925 -19.299 1.00 0.00 H new ATOM 0 HG11 VAL A 14 13.473 -14.490 -20.875 1.00 0.00 H new ATOM 0 HG12 VAL A 14 15.181 -14.207 -21.289 1.00 0.00 H new ATOM 0 HG13 VAL A 14 14.698 -15.723 -20.492 1.00 0.00 H new ATOM 0 HG21 VAL A 14 12.687 -14.341 -18.518 1.00 0.00 H new ATOM 0 HG22 VAL A 14 13.851 -15.557 -17.940 1.00 0.00 H new ATOM 0 HG23 VAL A 14 13.815 -13.937 -17.202 1.00 0.00 H new ATOM 203 N CYS A 15 16.463 -16.115 -17.134 1.00 0.00 N ATOM 204 CA CYS A 15 16.648 -17.522 -16.714 1.00 0.00 C ATOM 205 C CYS A 15 15.314 -18.296 -16.826 1.00 0.00 C ATOM 206 O CYS A 15 15.242 -19.340 -17.485 1.00 0.00 O ATOM 207 CB CYS A 15 17.195 -17.578 -15.269 1.00 0.00 C ATOM 208 SG CYS A 15 18.799 -16.774 -15.064 1.00 0.00 S ATOM 0 H CYS A 15 16.285 -15.479 -16.357 1.00 0.00 H new ATOM 0 HA CYS A 15 17.373 -17.996 -17.376 1.00 0.00 H new ATOM 0 HB2 CYS A 15 16.475 -17.107 -14.600 1.00 0.00 H new ATOM 0 HB3 CYS A 15 17.280 -18.621 -14.963 1.00 0.00 H new ATOM 0 HG CYS A 15 19.274 -17.048 -13.885 1.00 0.00 H new ATOM 214 N CYS A 16 14.274 -17.767 -16.140 1.00 0.00 N ATOM 215 CA CYS A 16 12.849 -18.211 -16.237 1.00 0.00 C ATOM 216 C CYS A 16 12.515 -19.542 -15.503 1.00 0.00 C ATOM 217 O CYS A 16 11.470 -19.630 -14.842 1.00 0.00 O ATOM 218 CB CYS A 16 12.358 -18.277 -17.705 1.00 0.00 C ATOM 219 SG CYS A 16 10.631 -18.788 -17.904 1.00 0.00 S ATOM 0 H CYS A 16 14.399 -16.997 -15.483 1.00 0.00 H new ATOM 0 HA CYS A 16 12.303 -17.432 -15.704 1.00 0.00 H new ATOM 0 HB2 CYS A 16 12.487 -17.296 -18.161 1.00 0.00 H new ATOM 0 HB3 CYS A 16 12.994 -18.971 -18.255 1.00 0.00 H new ATOM 0 HG CYS A 16 10.173 -19.220 -16.767 1.00 0.00 H new ATOM 225 N CYS A 17 13.384 -20.566 -15.631 1.00 0.00 N ATOM 226 CA CYS A 17 13.129 -21.937 -15.096 1.00 0.00 C ATOM 227 C CYS A 17 12.963 -21.961 -13.556 1.00 0.00 C ATOM 228 O CYS A 17 12.074 -22.637 -13.028 1.00 0.00 O ATOM 229 CB CYS A 17 14.274 -22.889 -15.506 1.00 0.00 C ATOM 230 SG CYS A 17 14.080 -24.591 -14.915 1.00 0.00 S ATOM 0 H CYS A 17 14.282 -20.475 -16.105 1.00 0.00 H new ATOM 0 HA CYS A 17 12.187 -22.272 -15.530 1.00 0.00 H new ATOM 0 HB2 CYS A 17 14.348 -22.901 -16.593 1.00 0.00 H new ATOM 0 HB3 CYS A 17 15.215 -22.491 -15.127 1.00 0.00 H new ATOM 0 HG CYS A 17 15.090 -25.307 -15.314 1.00 0.00 H new ATOM 236 N ALA A 18 13.825 -21.218 -12.847 1.00 0.00 N ATOM 237 CA ALA A 18 13.783 -21.119 -11.369 1.00 0.00 C ATOM 238 C ALA A 18 13.287 -19.712 -10.932 1.00 0.00 C ATOM 239 O ALA A 18 13.661 -18.709 -11.555 1.00 0.00 O ATOM 240 CB ALA A 18 15.170 -21.431 -10.772 1.00 0.00 C ATOM 0 H ALA A 18 14.571 -20.668 -13.274 1.00 0.00 H new ATOM 0 HA ALA A 18 13.077 -21.857 -10.987 1.00 0.00 H new ATOM 0 HB1 ALA A 18 15.124 -21.354 -9.686 1.00 0.00 H new ATOM 0 HB2 ALA A 18 15.468 -22.441 -11.052 1.00 0.00 H new ATOM 0 HB3 ALA A 18 15.900 -20.718 -11.155 1.00 0.00 H new ATOM 246 N PRO A 19 12.402 -19.614 -9.877 1.00 0.00 N ATOM 247 CA PRO A 19 11.968 -18.305 -9.306 1.00 0.00 C ATOM 248 C PRO A 19 13.150 -17.486 -8.722 1.00 0.00 C ATOM 249 O PRO A 19 13.364 -16.321 -9.086 1.00 0.00 O ATOM 250 CB PRO A 19 10.950 -18.705 -8.195 1.00 0.00 C ATOM 251 CG PRO A 19 10.504 -20.087 -8.572 1.00 0.00 C ATOM 252 CD PRO A 19 11.718 -20.747 -9.193 1.00 0.00 C ATOM 0 HA PRO A 19 11.538 -17.653 -10.066 1.00 0.00 H new ATOM 0 HB2 PRO A 19 11.414 -18.693 -7.209 1.00 0.00 H new ATOM 0 HB3 PRO A 19 10.109 -18.013 -8.160 1.00 0.00 H new ATOM 0 HG2 PRO A 19 10.160 -20.641 -7.698 1.00 0.00 H new ATOM 0 HG3 PRO A 19 9.672 -20.053 -9.276 1.00 0.00 H new ATOM 0 HD2 PRO A 19 12.356 -21.208 -8.439 1.00 0.00 H new ATOM 0 HD3 PRO A 19 11.436 -21.531 -9.895 1.00 0.00 H new ATOM 260 N MET A 20 13.923 -18.127 -7.824 1.00 0.00 N ATOM 261 CA MET A 20 15.086 -17.504 -7.159 1.00 0.00 C ATOM 262 C MET A 20 16.344 -17.590 -8.068 1.00 0.00 C ATOM 263 O MET A 20 17.101 -18.567 -8.019 1.00 0.00 O ATOM 264 CB MET A 20 15.348 -18.195 -5.790 1.00 0.00 C ATOM 265 CG MET A 20 14.153 -18.197 -4.826 1.00 0.00 C ATOM 266 SD MET A 20 14.499 -19.118 -3.307 1.00 0.00 S ATOM 267 CE MET A 20 12.928 -19.005 -2.441 1.00 0.00 C ATOM 0 H MET A 20 13.759 -19.092 -7.538 1.00 0.00 H new ATOM 0 HA MET A 20 14.868 -16.451 -6.982 1.00 0.00 H new ATOM 0 HB2 MET A 20 15.650 -19.226 -5.972 1.00 0.00 H new ATOM 0 HB3 MET A 20 16.187 -17.698 -5.304 1.00 0.00 H new ATOM 0 HG2 MET A 20 13.891 -17.170 -4.574 1.00 0.00 H new ATOM 0 HG3 MET A 20 13.288 -18.634 -5.324 1.00 0.00 H new ATOM 0 HE1 MET A 20 12.999 -19.530 -1.488 1.00 0.00 H new ATOM 0 HE2 MET A 20 12.686 -17.957 -2.261 1.00 0.00 H new ATOM 0 HE3 MET A 20 12.145 -19.459 -3.048 1.00 0.00 H new ATOM 277 N THR A 21 16.524 -16.575 -8.937 1.00 0.00 N ATOM 278 CA THR A 21 17.691 -16.470 -9.857 1.00 0.00 C ATOM 279 C THR A 21 18.324 -15.069 -9.743 1.00 0.00 C ATOM 280 O THR A 21 18.060 -14.169 -10.559 1.00 0.00 O ATOM 281 CB THR A 21 17.291 -16.770 -11.346 1.00 0.00 C ATOM 282 OG1 THR A 21 16.183 -15.944 -11.733 1.00 0.00 O ATOM 283 CG2 THR A 21 16.916 -18.240 -11.565 1.00 0.00 C ATOM 0 H THR A 21 15.867 -15.800 -9.026 1.00 0.00 H new ATOM 0 HA THR A 21 18.421 -17.223 -9.559 1.00 0.00 H new ATOM 0 HB THR A 21 18.164 -16.549 -11.960 1.00 0.00 H new ATOM 0 HG1 THR A 21 16.362 -15.015 -11.477 1.00 0.00 H new ATOM 0 HG21 THR A 21 16.648 -18.395 -12.610 1.00 0.00 H new ATOM 0 HG22 THR A 21 17.765 -18.874 -11.311 1.00 0.00 H new ATOM 0 HG23 THR A 21 16.068 -18.498 -10.930 1.00 0.00 H new ATOM 291 N GLY A 22 19.102 -14.870 -8.662 1.00 0.00 N ATOM 292 CA GLY A 22 19.728 -13.574 -8.348 1.00 0.00 C ATOM 293 C GLY A 22 18.796 -12.641 -7.563 1.00 0.00 C ATOM 294 O GLY A 22 19.245 -11.939 -6.645 1.00 0.00 O ATOM 0 H GLY A 22 19.313 -15.602 -7.984 1.00 0.00 H new ATOM 0 HA2 GLY A 22 20.636 -13.744 -7.770 1.00 0.00 H new ATOM 0 HA3 GLY A 22 20.028 -13.086 -9.275 1.00 0.00 H new ATOM 298 N TRP A 23 17.502 -12.605 -7.988 1.00 0.00 N ATOM 299 CA TRP A 23 16.391 -11.868 -7.334 1.00 0.00 C ATOM 300 C TRP A 23 16.403 -10.354 -7.684 1.00 0.00 C ATOM 301 O TRP A 23 15.353 -9.773 -7.982 1.00 0.00 O ATOM 302 CB TRP A 23 16.361 -12.119 -5.800 1.00 0.00 C ATOM 303 CG TRP A 23 15.118 -11.632 -5.092 1.00 0.00 C ATOM 304 CD1 TRP A 23 13.836 -12.074 -5.280 1.00 0.00 C ATOM 305 CD2 TRP A 23 15.048 -10.635 -4.062 1.00 0.00 C ATOM 306 NE1 TRP A 23 12.981 -11.400 -4.448 1.00 0.00 N ATOM 307 CE2 TRP A 23 13.701 -10.515 -3.688 1.00 0.00 C ATOM 308 CE3 TRP A 23 16.000 -9.826 -3.431 1.00 0.00 C ATOM 309 CZ2 TRP A 23 13.279 -9.632 -2.703 1.00 0.00 C ATOM 310 CZ3 TRP A 23 15.579 -8.948 -2.450 1.00 0.00 C ATOM 311 CH2 TRP A 23 14.227 -8.854 -2.099 1.00 0.00 C ATOM 0 H TRP A 23 17.197 -13.106 -8.823 1.00 0.00 H new ATOM 0 HA TRP A 23 15.461 -12.268 -7.739 1.00 0.00 H new ATOM 0 HB2 TRP A 23 16.466 -13.189 -5.621 1.00 0.00 H new ATOM 0 HB3 TRP A 23 17.228 -11.634 -5.352 1.00 0.00 H new ATOM 0 HD1 TRP A 23 13.542 -12.841 -5.981 1.00 0.00 H new ATOM 0 HE1 TRP A 23 11.971 -11.535 -4.402 1.00 0.00 H new ATOM 0 HE3 TRP A 23 17.043 -9.887 -3.705 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 12.238 -9.562 -2.424 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 16.304 -8.325 -1.947 1.00 0.00 H new ATOM 0 HH2 TRP A 23 13.927 -8.152 -1.335 1.00 0.00 H new ATOM 322 N TYR A 24 17.598 -9.735 -7.675 1.00 0.00 N ATOM 323 CA TYR A 24 17.818 -8.327 -8.095 1.00 0.00 C ATOM 324 C TYR A 24 18.004 -8.247 -9.654 1.00 0.00 C ATOM 325 O TYR A 24 18.979 -7.690 -10.168 1.00 0.00 O ATOM 326 CB TYR A 24 19.051 -7.776 -7.304 1.00 0.00 C ATOM 327 CG TYR A 24 19.320 -6.269 -7.463 1.00 0.00 C ATOM 328 CD1 TYR A 24 18.429 -5.325 -6.943 1.00 0.00 C ATOM 329 CD2 TYR A 24 20.458 -5.794 -8.130 1.00 0.00 C ATOM 330 CE1 TYR A 24 18.661 -3.968 -7.083 1.00 0.00 C ATOM 331 CE2 TYR A 24 20.690 -4.440 -8.273 1.00 0.00 C ATOM 332 CZ TYR A 24 19.793 -3.528 -7.747 1.00 0.00 C ATOM 333 OH TYR A 24 20.031 -2.178 -7.893 1.00 0.00 O ATOM 0 H TYR A 24 18.454 -10.200 -7.373 1.00 0.00 H new ATOM 0 HA TYR A 24 16.953 -7.705 -7.863 1.00 0.00 H new ATOM 0 HB2 TYR A 24 18.908 -7.992 -6.245 1.00 0.00 H new ATOM 0 HB3 TYR A 24 19.939 -8.322 -7.623 1.00 0.00 H new ATOM 0 HD1 TYR A 24 17.544 -5.661 -6.423 1.00 0.00 H new ATOM 0 HD2 TYR A 24 21.166 -6.499 -8.539 1.00 0.00 H new ATOM 0 HE1 TYR A 24 17.961 -3.254 -6.675 1.00 0.00 H new ATOM 0 HE2 TYR A 24 21.570 -4.094 -8.795 1.00 0.00 H new ATOM 0 HH TYR A 24 20.869 -2.045 -8.383 1.00 0.00 H new ATOM 343 N ARG A 25 17.027 -8.838 -10.381 1.00 0.00 N ATOM 344 CA ARG A 25 16.950 -8.862 -11.865 1.00 0.00 C ATOM 345 C ARG A 25 18.260 -9.396 -12.543 1.00 0.00 C ATOM 346 O ARG A 25 18.821 -8.757 -13.444 1.00 0.00 O ATOM 347 CB ARG A 25 16.554 -7.451 -12.414 1.00 0.00 C ATOM 348 CG ARG A 25 15.982 -7.462 -13.857 1.00 0.00 C ATOM 349 CD ARG A 25 16.003 -6.082 -14.533 1.00 0.00 C ATOM 350 NE ARG A 25 17.387 -5.623 -14.784 1.00 0.00 N ATOM 351 CZ ARG A 25 17.895 -5.303 -15.962 1.00 0.00 C ATOM 352 NH1 ARG A 25 17.184 -5.353 -17.041 1.00 0.00 N ATOM 353 NH2 ARG A 25 19.133 -4.939 -16.049 1.00 0.00 N ATOM 0 H ARG A 25 16.247 -9.326 -9.941 1.00 0.00 H new ATOM 0 HA ARG A 25 16.169 -9.574 -12.131 1.00 0.00 H new ATOM 0 HB2 ARG A 25 15.814 -7.009 -11.746 1.00 0.00 H new ATOM 0 HB3 ARG A 25 17.432 -6.805 -12.389 1.00 0.00 H new ATOM 0 HG2 ARG A 25 16.556 -8.163 -14.462 1.00 0.00 H new ATOM 0 HG3 ARG A 25 14.956 -7.830 -13.830 1.00 0.00 H new ATOM 0 HD2 ARG A 25 15.457 -6.129 -15.475 1.00 0.00 H new ATOM 0 HD3 ARG A 25 15.487 -5.358 -13.902 1.00 0.00 H new ATOM 0 HE ARG A 25 18.005 -5.547 -13.976 1.00 0.00 H new ATOM 0 HH11 ARG A 25 16.208 -5.644 -16.995 1.00 0.00 H new ATOM 0 HH12 ARG A 25 17.600 -5.101 -17.938 1.00 0.00 H new ATOM 0 HH21 ARG A 25 19.713 -4.900 -15.211 1.00 0.00 H new ATOM 0 HH22 ARG A 25 19.529 -4.691 -16.956 1.00 0.00 H new ATOM 367 N ASN A 26 18.757 -10.560 -12.072 1.00 0.00 N ATOM 368 CA ASN A 26 19.900 -11.267 -12.717 1.00 0.00 C ATOM 369 C ASN A 26 19.426 -12.010 -13.987 1.00 0.00 C ATOM 370 O ASN A 26 20.048 -11.918 -15.054 1.00 0.00 O ATOM 371 CB ASN A 26 20.554 -12.253 -11.715 1.00 0.00 C ATOM 372 CG ASN A 26 21.725 -13.052 -12.307 1.00 0.00 C ATOM 373 OD1 ASN A 26 22.868 -12.614 -12.276 1.00 0.00 O ATOM 374 ND2 ASN A 26 21.448 -14.233 -12.839 1.00 0.00 N ATOM 0 H ASN A 26 18.389 -11.035 -11.248 1.00 0.00 H new ATOM 0 HA ASN A 26 20.647 -10.530 -13.012 1.00 0.00 H new ATOM 0 HB2 ASN A 26 20.908 -11.694 -10.849 1.00 0.00 H new ATOM 0 HB3 ASN A 26 19.795 -12.949 -11.357 1.00 0.00 H new ATOM 0 HD21 ASN A 26 22.196 -14.802 -13.236 1.00 0.00 H new ATOM 0 HD22 ASN A 26 20.487 -14.574 -12.852 1.00 0.00 H new ATOM 381 N GLY A 27 18.318 -12.754 -13.842 1.00 0.00 N ATOM 382 CA GLY A 27 17.679 -13.449 -14.968 1.00 0.00 C ATOM 383 C GLY A 27 16.162 -13.319 -14.919 1.00 0.00 C ATOM 384 O GLY A 27 15.558 -12.608 -15.727 1.00 0.00 O ATOM 0 H GLY A 27 17.844 -12.889 -12.949 1.00 0.00 H new ATOM 0 HA2 GLY A 27 18.050 -13.039 -15.907 1.00 0.00 H new ATOM 0 HA3 GLY A 27 17.955 -14.503 -14.950 1.00 0.00 H new ATOM 388 N PHE A 28 15.543 -14.016 -13.957 1.00 0.00 N ATOM 389 CA PHE A 28 14.089 -13.963 -13.718 1.00 0.00 C ATOM 390 C PHE A 28 13.782 -13.050 -12.500 1.00 0.00 C ATOM 391 O PHE A 28 14.473 -13.116 -11.473 1.00 0.00 O ATOM 392 CB PHE A 28 13.556 -15.404 -13.488 1.00 0.00 C ATOM 393 CG PHE A 28 12.051 -15.501 -13.247 1.00 0.00 C ATOM 394 CD1 PHE A 28 11.153 -15.447 -14.312 1.00 0.00 C ATOM 395 CD2 PHE A 28 11.537 -15.628 -11.955 1.00 0.00 C ATOM 396 CE1 PHE A 28 9.791 -15.523 -14.095 1.00 0.00 C ATOM 397 CE2 PHE A 28 10.175 -15.700 -11.739 1.00 0.00 C ATOM 398 CZ PHE A 28 9.303 -15.648 -12.808 1.00 0.00 C ATOM 0 H PHE A 28 16.038 -14.637 -13.317 1.00 0.00 H new ATOM 0 HA PHE A 28 13.586 -13.539 -14.587 1.00 0.00 H new ATOM 0 HB2 PHE A 28 13.810 -16.013 -14.356 1.00 0.00 H new ATOM 0 HB3 PHE A 28 14.075 -15.836 -12.632 1.00 0.00 H new ATOM 0 HD1 PHE A 28 11.527 -15.344 -15.320 1.00 0.00 H new ATOM 0 HD2 PHE A 28 12.213 -15.670 -11.114 1.00 0.00 H new ATOM 0 HE1 PHE A 28 9.108 -15.485 -14.931 1.00 0.00 H new ATOM 0 HE2 PHE A 28 9.792 -15.797 -10.734 1.00 0.00 H new ATOM 0 HZ PHE A 28 8.238 -15.705 -12.638 1.00 0.00 H new ATOM 408 N CYS A 29 12.738 -12.205 -12.632 1.00 0.00 N ATOM 409 CA CYS A 29 12.260 -11.311 -11.545 1.00 0.00 C ATOM 410 C CYS A 29 10.800 -10.879 -11.796 1.00 0.00 C ATOM 411 O CYS A 29 10.346 -10.843 -12.946 1.00 0.00 O ATOM 412 CB CYS A 29 13.146 -10.049 -11.429 1.00 0.00 C ATOM 413 SG CYS A 29 13.038 -8.928 -12.849 1.00 0.00 S ATOM 0 H CYS A 29 12.199 -12.120 -13.494 1.00 0.00 H new ATOM 0 HA CYS A 29 12.319 -11.874 -10.613 1.00 0.00 H new ATOM 0 HB2 CYS A 29 12.865 -9.503 -10.528 1.00 0.00 H new ATOM 0 HB3 CYS A 29 14.184 -10.358 -11.303 1.00 0.00 H new ATOM 0 HG CYS A 29 12.534 -9.562 -13.865 1.00 0.00 H new ATOM 419 N GLN A 30 10.071 -10.524 -10.717 1.00 0.00 N ATOM 420 CA GLN A 30 8.672 -10.042 -10.812 1.00 0.00 C ATOM 421 C GLN A 30 8.642 -8.516 -11.100 1.00 0.00 C ATOM 422 O GLN A 30 8.366 -7.710 -10.210 1.00 0.00 O ATOM 423 CB GLN A 30 7.900 -10.409 -9.507 1.00 0.00 C ATOM 424 CG GLN A 30 6.388 -10.071 -9.510 1.00 0.00 C ATOM 425 CD GLN A 30 5.670 -10.455 -8.208 1.00 0.00 C ATOM 426 OE1 GLN A 30 6.041 -11.412 -7.527 1.00 0.00 O ATOM 427 NE2 GLN A 30 4.639 -9.712 -7.853 1.00 0.00 N ATOM 0 H GLN A 30 10.429 -10.562 -9.763 1.00 0.00 H new ATOM 0 HA GLN A 30 8.171 -10.534 -11.646 1.00 0.00 H new ATOM 0 HB2 GLN A 30 8.015 -11.478 -9.326 1.00 0.00 H new ATOM 0 HB3 GLN A 30 8.369 -9.891 -8.670 1.00 0.00 H new ATOM 0 HG2 GLN A 30 6.264 -9.002 -9.682 1.00 0.00 H new ATOM 0 HG3 GLN A 30 5.911 -10.586 -10.344 1.00 0.00 H new ATOM 0 HE21 GLN A 30 4.353 -8.925 -8.435 1.00 0.00 H new ATOM 0 HE22 GLN A 30 4.128 -9.925 -6.996 1.00 0.00 H new ATOM 436 N THR A 31 9.026 -8.143 -12.339 1.00 0.00 N ATOM 437 CA THR A 31 8.953 -6.749 -12.863 1.00 0.00 C ATOM 438 C THR A 31 9.356 -6.723 -14.359 1.00 0.00 C ATOM 439 O THR A 31 8.524 -6.452 -15.231 1.00 0.00 O ATOM 440 CB THR A 31 9.797 -5.688 -12.029 1.00 0.00 C ATOM 441 OG1 THR A 31 9.753 -4.403 -12.664 1.00 0.00 O ATOM 442 CG2 THR A 31 11.267 -6.094 -11.796 1.00 0.00 C ATOM 0 H THR A 31 9.401 -8.805 -13.018 1.00 0.00 H new ATOM 0 HA THR A 31 7.914 -6.438 -12.752 1.00 0.00 H new ATOM 0 HB THR A 31 9.325 -5.647 -11.047 1.00 0.00 H new ATOM 0 HG1 THR A 31 8.958 -3.916 -12.362 1.00 0.00 H new ATOM 0 HG21 THR A 31 11.772 -5.318 -11.221 1.00 0.00 H new ATOM 0 HG22 THR A 31 11.302 -7.034 -11.246 1.00 0.00 H new ATOM 0 HG23 THR A 31 11.767 -6.217 -12.757 1.00 0.00 H new ATOM 450 N ASP A 32 10.628 -7.043 -14.656 1.00 0.00 N ATOM 451 CA ASP A 32 11.189 -7.006 -16.023 1.00 0.00 C ATOM 452 C ASP A 32 11.377 -8.443 -16.556 1.00 0.00 C ATOM 453 O ASP A 32 12.105 -9.248 -15.956 1.00 0.00 O ATOM 454 CB ASP A 32 12.547 -6.249 -16.032 1.00 0.00 C ATOM 455 CG ASP A 32 12.421 -4.736 -15.764 1.00 0.00 C ATOM 456 OD1 ASP A 32 12.059 -4.344 -14.639 1.00 0.00 O ATOM 457 OD2 ASP A 32 12.681 -3.930 -16.678 1.00 0.00 O ATOM 0 H ASP A 32 11.303 -7.337 -13.950 1.00 0.00 H new ATOM 0 HA ASP A 32 10.492 -6.476 -16.672 1.00 0.00 H new ATOM 0 HB2 ASP A 32 13.201 -6.688 -15.279 1.00 0.00 H new ATOM 0 HB3 ASP A 32 13.028 -6.398 -16.999 1.00 0.00 H new ATOM 462 N VAL A 33 10.705 -8.754 -17.679 1.00 0.00 N ATOM 463 CA VAL A 33 10.812 -10.065 -18.350 1.00 0.00 C ATOM 464 C VAL A 33 12.157 -10.196 -19.119 1.00 0.00 C ATOM 465 O VAL A 33 12.767 -11.267 -19.131 1.00 0.00 O ATOM 466 CB VAL A 33 9.593 -10.303 -19.327 1.00 0.00 C ATOM 467 CG1 VAL A 33 8.251 -10.290 -18.552 1.00 0.00 C ATOM 468 CG2 VAL A 33 9.578 -9.263 -20.485 1.00 0.00 C ATOM 0 H VAL A 33 10.073 -8.105 -18.148 1.00 0.00 H new ATOM 0 HA VAL A 33 10.787 -10.832 -17.576 1.00 0.00 H new ATOM 0 HB VAL A 33 9.717 -11.290 -19.774 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.428 -10.456 -19.247 1.00 0.00 H new ATOM 0 HG12 VAL A 33 8.257 -11.080 -17.801 1.00 0.00 H new ATOM 0 HG13 VAL A 33 8.123 -9.325 -18.062 1.00 0.00 H new ATOM 0 HG21 VAL A 33 8.726 -9.457 -21.137 1.00 0.00 H new ATOM 0 HG22 VAL A 33 9.496 -8.258 -20.071 1.00 0.00 H new ATOM 0 HG23 VAL A 33 10.501 -9.345 -21.059 1.00 0.00 H new ATOM 478 N GLN A 34 12.595 -9.072 -19.735 1.00 0.00 N ATOM 479 CA GLN A 34 13.827 -8.984 -20.555 1.00 0.00 C ATOM 480 C GLN A 34 14.008 -7.531 -21.074 1.00 0.00 C ATOM 481 O GLN A 34 15.035 -6.887 -20.820 1.00 0.00 O ATOM 482 CB GLN A 34 13.794 -9.984 -21.752 1.00 0.00 C ATOM 483 CG GLN A 34 15.111 -10.073 -22.543 1.00 0.00 C ATOM 484 CD GLN A 34 15.062 -11.083 -23.692 1.00 0.00 C ATOM 485 OE1 GLN A 34 15.411 -12.249 -23.530 1.00 0.00 O ATOM 486 NE2 GLN A 34 14.614 -10.647 -24.853 1.00 0.00 N ATOM 0 H GLN A 34 12.093 -8.186 -19.675 1.00 0.00 H new ATOM 0 HA GLN A 34 14.674 -9.254 -19.924 1.00 0.00 H new ATOM 0 HB2 GLN A 34 13.543 -10.975 -21.374 1.00 0.00 H new ATOM 0 HB3 GLN A 34 12.995 -9.691 -22.433 1.00 0.00 H new ATOM 0 HG2 GLN A 34 15.353 -9.089 -22.944 1.00 0.00 H new ATOM 0 HG3 GLN A 34 15.917 -10.347 -21.862 1.00 0.00 H new ATOM 0 HE21 GLN A 34 14.331 -9.673 -24.957 1.00 0.00 H new ATOM 0 HE22 GLN A 34 14.550 -11.284 -25.647 1.00 0.00 H new ATOM 495 N ASP A 35 12.980 -7.030 -21.801 1.00 0.00 N ATOM 496 CA ASP A 35 12.938 -5.641 -22.330 1.00 0.00 C ATOM 497 C ASP A 35 12.820 -4.593 -21.187 1.00 0.00 C ATOM 498 O ASP A 35 12.327 -4.904 -20.097 1.00 0.00 O ATOM 499 CB ASP A 35 11.755 -5.503 -23.329 1.00 0.00 C ATOM 500 CG ASP A 35 11.592 -4.079 -23.899 1.00 0.00 C ATOM 501 OD1 ASP A 35 12.521 -3.591 -24.576 1.00 0.00 O ATOM 502 OD2 ASP A 35 10.547 -3.433 -23.660 1.00 0.00 O ATOM 0 H ASP A 35 12.153 -7.578 -22.039 1.00 0.00 H new ATOM 0 HA ASP A 35 13.875 -5.442 -22.849 1.00 0.00 H new ATOM 0 HB2 ASP A 35 11.903 -6.201 -24.153 1.00 0.00 H new ATOM 0 HB3 ASP A 35 10.831 -5.793 -22.828 1.00 0.00 H new ATOM 507 N ARG A 36 13.280 -3.352 -21.478 1.00 0.00 N ATOM 508 CA ARG A 36 13.296 -2.227 -20.517 1.00 0.00 C ATOM 509 C ARG A 36 11.870 -1.880 -19.988 1.00 0.00 C ATOM 510 O ARG A 36 10.947 -1.599 -20.762 1.00 0.00 O ATOM 511 CB ARG A 36 13.965 -0.980 -21.178 1.00 0.00 C ATOM 512 CG ARG A 36 13.247 -0.462 -22.448 1.00 0.00 C ATOM 513 CD ARG A 36 13.897 0.793 -23.060 1.00 0.00 C ATOM 514 NE ARG A 36 13.050 1.393 -24.113 1.00 0.00 N ATOM 515 CZ ARG A 36 13.476 2.116 -25.127 1.00 0.00 C ATOM 516 NH1 ARG A 36 14.746 2.328 -25.330 1.00 0.00 N ATOM 517 NH2 ARG A 36 12.614 2.620 -25.946 1.00 0.00 N ATOM 0 H ARG A 36 13.653 -3.104 -22.394 1.00 0.00 H new ATOM 0 HA ARG A 36 13.882 -2.535 -19.651 1.00 0.00 H new ATOM 0 HB2 ARG A 36 14.005 -0.174 -20.445 1.00 0.00 H new ATOM 0 HB3 ARG A 36 14.995 -1.229 -21.435 1.00 0.00 H new ATOM 0 HG2 ARG A 36 13.234 -1.255 -23.196 1.00 0.00 H new ATOM 0 HG3 ARG A 36 12.209 -0.239 -22.202 1.00 0.00 H new ATOM 0 HD2 ARG A 36 14.077 1.528 -22.276 1.00 0.00 H new ATOM 0 HD3 ARG A 36 14.868 0.531 -23.480 1.00 0.00 H new ATOM 0 HE ARG A 36 12.045 1.232 -24.048 1.00 0.00 H new ATOM 0 HH11 ARG A 36 15.437 1.929 -24.695 1.00 0.00 H new ATOM 0 HH12 ARG A 36 15.048 2.892 -26.124 1.00 0.00 H new ATOM 0 HH21 ARG A 36 11.618 2.456 -25.803 1.00 0.00 H new ATOM 0 HH22 ARG A 36 12.930 3.182 -26.736 1.00 0.00 H new ATOM 531 N GLY A 37 11.703 -1.944 -18.659 1.00 0.00 N ATOM 532 CA GLY A 37 10.456 -1.559 -17.990 1.00 0.00 C ATOM 533 C GLY A 37 10.718 -0.644 -16.795 1.00 0.00 C ATOM 534 O GLY A 37 10.821 0.574 -16.970 1.00 0.00 O ATOM 0 H GLY A 37 12.430 -2.264 -18.019 1.00 0.00 H new ATOM 0 HA2 GLY A 37 9.803 -1.052 -18.700 1.00 0.00 H new ATOM 0 HA3 GLY A 37 9.931 -2.454 -17.656 1.00 0.00 H new ATOM 538 N SER A 38 10.840 -1.246 -15.582 1.00 0.00 N ATOM 539 CA SER A 38 11.101 -0.535 -14.289 1.00 0.00 C ATOM 540 C SER A 38 9.979 0.473 -13.879 1.00 0.00 C ATOM 541 O SER A 38 9.073 0.775 -14.663 1.00 0.00 O ATOM 542 CB SER A 38 12.488 0.164 -14.309 1.00 0.00 C ATOM 543 OG SER A 38 13.539 -0.772 -14.488 1.00 0.00 O ATOM 0 H SER A 38 10.759 -2.256 -15.467 1.00 0.00 H new ATOM 0 HA SER A 38 11.100 -1.310 -13.523 1.00 0.00 H new ATOM 0 HB2 SER A 38 12.514 0.900 -15.112 1.00 0.00 H new ATOM 0 HB3 SER A 38 12.637 0.706 -13.375 1.00 0.00 H new ATOM 0 HG SER A 38 14.398 -0.301 -14.498 1.00 0.00 H new ATOM 549 N HIS A 39 10.059 0.974 -12.615 1.00 0.00 N ATOM 550 CA HIS A 39 9.070 1.937 -12.029 1.00 0.00 C ATOM 551 C HIS A 39 7.614 1.374 -12.014 1.00 0.00 C ATOM 552 O HIS A 39 6.631 2.123 -12.098 1.00 0.00 O ATOM 553 CB HIS A 39 9.163 3.325 -12.735 1.00 0.00 C ATOM 554 CG HIS A 39 10.393 4.121 -12.368 1.00 0.00 C ATOM 555 ND1 HIS A 39 11.376 4.478 -13.268 1.00 0.00 N ATOM 556 CD2 HIS A 39 10.778 4.653 -11.179 1.00 0.00 C ATOM 557 CE1 HIS A 39 12.304 5.183 -12.654 1.00 0.00 C ATOM 558 NE2 HIS A 39 11.967 5.303 -11.390 1.00 0.00 N ATOM 0 H HIS A 39 10.809 0.725 -11.970 1.00 0.00 H new ATOM 0 HA HIS A 39 9.338 2.079 -10.982 1.00 0.00 H new ATOM 0 HB2 HIS A 39 9.150 3.173 -13.814 1.00 0.00 H new ATOM 0 HB3 HIS A 39 8.277 3.909 -12.484 1.00 0.00 H new ATOM 0 HD2 HIS A 39 10.247 4.578 -10.242 1.00 0.00 H new ATOM 0 HE1 HIS A 39 13.192 5.593 -13.112 1.00 0.00 H new ATOM 0 HE2 HIS A 39 12.504 5.800 -10.679 1.00 0.00 H new ATOM 567 N THR A 40 7.513 0.043 -11.852 1.00 0.00 N ATOM 568 CA THR A 40 6.243 -0.721 -11.884 1.00 0.00 C ATOM 569 C THR A 40 5.713 -1.030 -10.451 1.00 0.00 C ATOM 570 O THR A 40 6.370 -1.738 -9.679 1.00 0.00 O ATOM 571 CB THR A 40 6.477 -2.074 -12.639 1.00 0.00 C ATOM 572 OG1 THR A 40 7.532 -2.813 -11.993 1.00 0.00 O ATOM 573 CG2 THR A 40 6.860 -1.866 -14.113 1.00 0.00 C ATOM 0 H THR A 40 8.328 -0.549 -11.691 1.00 0.00 H new ATOM 0 HA THR A 40 5.499 -0.111 -12.397 1.00 0.00 H new ATOM 0 HB THR A 40 5.536 -2.623 -12.606 1.00 0.00 H new ATOM 0 HG1 THR A 40 7.475 -2.684 -11.023 1.00 0.00 H new ATOM 0 HG21 THR A 40 7.011 -2.834 -14.590 1.00 0.00 H new ATOM 0 HG22 THR A 40 6.060 -1.330 -14.625 1.00 0.00 H new ATOM 0 HG23 THR A 40 7.781 -1.286 -14.171 1.00 0.00 H new ATOM 581 N VAL A 41 4.528 -0.484 -10.084 1.00 0.00 N ATOM 582 CA VAL A 41 3.875 -0.775 -8.770 1.00 0.00 C ATOM 583 C VAL A 41 2.340 -0.986 -8.940 1.00 0.00 C ATOM 584 O VAL A 41 1.619 -0.074 -9.368 1.00 0.00 O ATOM 585 CB VAL A 41 4.106 0.362 -7.687 1.00 0.00 C ATOM 586 CG1 VAL A 41 3.476 -0.037 -6.321 1.00 0.00 C ATOM 587 CG2 VAL A 41 5.609 0.720 -7.515 1.00 0.00 C ATOM 0 H VAL A 41 4.000 0.160 -10.674 1.00 0.00 H new ATOM 0 HA VAL A 41 4.349 -1.688 -8.411 1.00 0.00 H new ATOM 0 HB VAL A 41 3.604 1.257 -8.056 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.647 0.758 -5.595 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.404 -0.190 -6.446 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.935 -0.959 -5.964 1.00 0.00 H new ATOM 0 HG21 VAL A 41 5.713 1.502 -6.763 1.00 0.00 H new ATOM 0 HG22 VAL A 41 6.160 -0.165 -7.196 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.010 1.074 -8.465 1.00 0.00 H new ATOM 597 N CYS A 42 1.864 -2.197 -8.600 1.00 0.00 N ATOM 598 CA CYS A 42 0.424 -2.515 -8.458 1.00 0.00 C ATOM 599 C CYS A 42 0.159 -2.905 -6.989 1.00 0.00 C ATOM 600 O CYS A 42 0.546 -3.987 -6.560 1.00 0.00 O ATOM 601 CB CYS A 42 0.027 -3.699 -9.383 1.00 0.00 C ATOM 602 SG CYS A 42 0.448 -3.463 -11.122 1.00 0.00 S ATOM 0 H CYS A 42 2.472 -2.994 -8.413 1.00 0.00 H new ATOM 0 HA CYS A 42 -0.168 -1.645 -8.742 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.516 -4.604 -9.023 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -1.047 -3.863 -9.301 1.00 0.00 H new ATOM 0 HG CYS A 42 1.736 -3.551 -11.272 1.00 0.00 H new ATOM 608 N ALA A 43 -0.521 -2.034 -6.230 1.00 0.00 N ATOM 609 CA ALA A 43 -0.777 -2.246 -4.783 1.00 0.00 C ATOM 610 C ALA A 43 -2.221 -1.847 -4.478 1.00 0.00 C ATOM 611 O ALA A 43 -2.756 -0.945 -5.125 1.00 0.00 O ATOM 612 CB ALA A 43 0.221 -1.433 -3.928 1.00 0.00 C ATOM 0 H ALA A 43 -0.911 -1.164 -6.592 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.634 -3.297 -4.532 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.016 -1.602 -2.871 1.00 0.00 H new ATOM 0 HB2 ALA A 43 1.238 -1.751 -4.156 1.00 0.00 H new ATOM 0 HB3 ALA A 43 0.113 -0.372 -4.153 1.00 0.00 H new ATOM 618 N GLU A 44 -2.860 -2.508 -3.503 1.00 0.00 N ATOM 619 CA GLU A 44 -4.300 -2.311 -3.266 1.00 0.00 C ATOM 620 C GLU A 44 -4.570 -1.684 -1.892 1.00 0.00 C ATOM 621 O GLU A 44 -4.260 -2.277 -0.853 1.00 0.00 O ATOM 622 CB GLU A 44 -5.062 -3.642 -3.427 1.00 0.00 C ATOM 623 CG GLU A 44 -6.561 -3.434 -3.631 1.00 0.00 C ATOM 624 CD GLU A 44 -7.328 -4.728 -3.947 1.00 0.00 C ATOM 625 OE1 GLU A 44 -7.682 -5.471 -3.006 1.00 0.00 O ATOM 626 OE2 GLU A 44 -7.562 -5.016 -5.140 1.00 0.00 O ATOM 0 H GLU A 44 -2.413 -3.174 -2.873 1.00 0.00 H new ATOM 0 HA GLU A 44 -4.666 -1.611 -4.016 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.655 -4.190 -4.277 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.901 -4.259 -2.543 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -6.982 -2.983 -2.732 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -6.713 -2.724 -4.444 1.00 0.00 H new ATOM 633 N MET A 45 -5.142 -0.467 -1.908 1.00 0.00 N ATOM 634 CA MET A 45 -5.568 0.239 -0.693 1.00 0.00 C ATOM 635 C MET A 45 -7.095 0.143 -0.560 1.00 0.00 C ATOM 636 O MET A 45 -7.829 0.556 -1.467 1.00 0.00 O ATOM 637 CB MET A 45 -5.121 1.729 -0.727 1.00 0.00 C ATOM 638 CG MET A 45 -3.688 1.935 -1.247 1.00 0.00 C ATOM 639 SD MET A 45 -2.455 1.063 -0.262 1.00 0.00 S ATOM 640 CE MET A 45 -2.717 1.784 1.358 1.00 0.00 C ATOM 0 H MET A 45 -5.321 0.053 -2.767 1.00 0.00 H new ATOM 0 HA MET A 45 -5.096 -0.230 0.170 1.00 0.00 H new ATOM 0 HB2 MET A 45 -5.810 2.291 -1.357 1.00 0.00 H new ATOM 0 HB3 MET A 45 -5.196 2.144 0.278 1.00 0.00 H new ATOM 0 HG2 MET A 45 -3.629 1.593 -2.280 1.00 0.00 H new ATOM 0 HG3 MET A 45 -3.457 3.000 -1.250 1.00 0.00 H new ATOM 0 HE1 MET A 45 -1.955 1.419 2.046 1.00 0.00 H new ATOM 0 HE2 MET A 45 -2.653 2.870 1.288 1.00 0.00 H new ATOM 0 HE3 MET A 45 -3.703 1.502 1.726 1.00 0.00 H new ATOM 650 N THR A 46 -7.559 -0.388 0.574 1.00 0.00 N ATOM 651 CA THR A 46 -8.992 -0.545 0.860 1.00 0.00 C ATOM 652 C THR A 46 -9.589 0.778 1.370 1.00 0.00 C ATOM 653 O THR A 46 -8.850 1.714 1.731 1.00 0.00 O ATOM 654 CB THR A 46 -9.231 -1.659 1.937 1.00 0.00 C ATOM 655 OG1 THR A 46 -8.589 -1.295 3.169 1.00 0.00 O ATOM 656 CG2 THR A 46 -8.711 -3.037 1.479 1.00 0.00 C ATOM 0 H THR A 46 -6.952 -0.723 1.323 1.00 0.00 H new ATOM 0 HA THR A 46 -9.482 -0.834 -0.070 1.00 0.00 H new ATOM 0 HB THR A 46 -10.308 -1.740 2.082 1.00 0.00 H new ATOM 0 HG1 THR A 46 -8.744 -1.994 3.838 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.900 -3.775 2.259 1.00 0.00 H new ATOM 0 HG22 THR A 46 -9.226 -3.335 0.566 1.00 0.00 H new ATOM 0 HG23 THR A 46 -7.640 -2.977 1.288 1.00 0.00 H new ATOM 664 N GLU A 47 -10.933 0.842 1.409 1.00 0.00 N ATOM 665 CA GLU A 47 -11.668 2.036 1.889 1.00 0.00 C ATOM 666 C GLU A 47 -11.277 2.392 3.330 1.00 0.00 C ATOM 667 O GLU A 47 -11.309 3.553 3.707 1.00 0.00 O ATOM 668 CB GLU A 47 -13.200 1.830 1.772 1.00 0.00 C ATOM 669 CG GLU A 47 -14.024 3.114 1.964 1.00 0.00 C ATOM 670 CD GLU A 47 -15.533 2.891 1.806 1.00 0.00 C ATOM 671 OE1 GLU A 47 -16.043 2.969 0.666 1.00 0.00 O ATOM 672 OE2 GLU A 47 -16.218 2.640 2.818 1.00 0.00 O ATOM 0 H GLU A 47 -11.539 0.077 1.112 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.387 2.873 1.250 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -13.425 1.410 0.792 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.514 1.095 2.513 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -13.825 3.521 2.955 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -13.696 3.861 1.241 1.00 0.00 H new ATOM 679 N GLU A 48 -10.900 1.365 4.105 1.00 0.00 N ATOM 680 CA GLU A 48 -10.432 1.488 5.486 1.00 0.00 C ATOM 681 C GLU A 48 -9.316 2.577 5.643 1.00 0.00 C ATOM 682 O GLU A 48 -9.487 3.529 6.409 1.00 0.00 O ATOM 683 CB GLU A 48 -9.941 0.089 5.934 1.00 0.00 C ATOM 684 CG GLU A 48 -9.492 -0.014 7.391 1.00 0.00 C ATOM 685 CD GLU A 48 -10.590 0.349 8.413 1.00 0.00 C ATOM 686 OE1 GLU A 48 -11.576 -0.410 8.535 1.00 0.00 O ATOM 687 OE2 GLU A 48 -10.484 1.399 9.084 1.00 0.00 O ATOM 0 H GLU A 48 -10.914 0.400 3.775 1.00 0.00 H new ATOM 0 HA GLU A 48 -11.249 1.825 6.124 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -10.744 -0.629 5.768 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -9.110 -0.208 5.294 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -9.152 -1.031 7.585 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -8.636 0.643 7.544 1.00 0.00 H new ATOM 694 N PHE A 49 -8.202 2.463 4.880 1.00 0.00 N ATOM 695 CA PHE A 49 -7.121 3.492 4.908 1.00 0.00 C ATOM 696 C PHE A 49 -7.555 4.823 4.243 1.00 0.00 C ATOM 697 O PHE A 49 -7.175 5.899 4.704 1.00 0.00 O ATOM 698 CB PHE A 49 -5.815 2.984 4.242 1.00 0.00 C ATOM 699 CG PHE A 49 -4.718 4.064 4.134 1.00 0.00 C ATOM 700 CD1 PHE A 49 -4.192 4.670 5.283 1.00 0.00 C ATOM 701 CD2 PHE A 49 -4.255 4.510 2.890 1.00 0.00 C ATOM 702 CE1 PHE A 49 -3.231 5.662 5.186 1.00 0.00 C ATOM 703 CE2 PHE A 49 -3.297 5.502 2.798 1.00 0.00 C ATOM 704 CZ PHE A 49 -2.785 6.080 3.945 1.00 0.00 C ATOM 0 H PHE A 49 -8.025 1.684 4.246 1.00 0.00 H new ATOM 0 HA PHE A 49 -6.926 3.682 5.963 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -5.429 2.141 4.815 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -6.047 2.612 3.244 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -4.541 4.359 6.257 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -4.653 4.071 1.987 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.828 6.111 6.082 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -2.948 5.826 1.829 1.00 0.00 H new ATOM 0 HZ PHE A 49 -2.038 6.857 3.872 1.00 0.00 H new ATOM 714 N LEU A 50 -8.306 4.748 3.143 1.00 0.00 N ATOM 715 CA LEU A 50 -8.766 5.957 2.408 1.00 0.00 C ATOM 716 C LEU A 50 -9.771 6.800 3.263 1.00 0.00 C ATOM 717 O LEU A 50 -9.900 8.011 3.068 1.00 0.00 O ATOM 718 CB LEU A 50 -9.318 5.551 1.001 1.00 0.00 C ATOM 719 CG LEU A 50 -8.256 5.332 -0.125 1.00 0.00 C ATOM 720 CD1 LEU A 50 -7.265 4.217 0.232 1.00 0.00 C ATOM 721 CD2 LEU A 50 -8.937 5.071 -1.491 1.00 0.00 C ATOM 0 H LEU A 50 -8.616 3.868 2.731 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.917 6.618 2.233 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -9.893 4.632 1.112 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -10.012 6.323 0.670 1.00 0.00 H new ATOM 0 HG LEU A 50 -7.679 6.253 -0.211 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -6.545 4.098 -0.577 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -6.739 4.478 1.150 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.806 3.282 0.377 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -8.174 4.922 -2.255 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -9.561 4.180 -1.422 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -9.556 5.927 -1.758 1.00 0.00 H new ATOM 733 N LEU A 51 -10.463 6.131 4.215 1.00 0.00 N ATOM 734 CA LEU A 51 -11.329 6.782 5.231 1.00 0.00 C ATOM 735 C LEU A 51 -10.468 7.456 6.328 1.00 0.00 C ATOM 736 O LEU A 51 -10.842 8.507 6.850 1.00 0.00 O ATOM 737 CB LEU A 51 -12.317 5.748 5.864 1.00 0.00 C ATOM 738 CG LEU A 51 -13.568 5.364 5.008 1.00 0.00 C ATOM 739 CD1 LEU A 51 -14.365 4.215 5.664 1.00 0.00 C ATOM 740 CD2 LEU A 51 -14.474 6.594 4.763 1.00 0.00 C ATOM 0 H LEU A 51 -10.437 5.115 4.302 1.00 0.00 H new ATOM 0 HA LEU A 51 -11.918 7.553 4.733 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -11.762 4.836 6.085 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -12.665 6.148 6.817 1.00 0.00 H new ATOM 0 HG LEU A 51 -13.210 5.011 4.041 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -15.228 3.971 5.045 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -13.726 3.337 5.758 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -14.703 4.525 6.653 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -15.336 6.298 4.165 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -14.815 6.991 5.719 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -13.910 7.361 4.232 1.00 0.00 H new ATOM 752 N PHE A 52 -9.323 6.827 6.672 1.00 0.00 N ATOM 753 CA PHE A 52 -8.309 7.431 7.573 1.00 0.00 C ATOM 754 C PHE A 52 -7.764 8.746 6.963 1.00 0.00 C ATOM 755 O PHE A 52 -7.778 9.793 7.608 1.00 0.00 O ATOM 756 CB PHE A 52 -7.166 6.416 7.834 1.00 0.00 C ATOM 757 CG PHE A 52 -6.020 6.945 8.701 1.00 0.00 C ATOM 758 CD1 PHE A 52 -6.180 7.107 10.079 1.00 0.00 C ATOM 759 CD2 PHE A 52 -4.785 7.282 8.138 1.00 0.00 C ATOM 760 CE1 PHE A 52 -5.147 7.588 10.861 1.00 0.00 C ATOM 761 CE2 PHE A 52 -3.757 7.763 8.923 1.00 0.00 C ATOM 762 CZ PHE A 52 -3.938 7.916 10.284 1.00 0.00 C ATOM 0 H PHE A 52 -9.074 5.896 6.339 1.00 0.00 H new ATOM 0 HA PHE A 52 -8.775 7.674 8.528 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -7.587 5.532 8.313 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.759 6.095 6.875 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -7.123 6.853 10.539 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.634 7.164 7.075 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.287 7.707 11.925 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.810 8.020 8.473 1.00 0.00 H new ATOM 0 HZ PHE A 52 -3.132 8.293 10.897 1.00 0.00 H new ATOM 772 N SER A 53 -7.331 8.663 5.695 1.00 0.00 N ATOM 773 CA SER A 53 -6.831 9.816 4.908 1.00 0.00 C ATOM 774 C SER A 53 -7.902 10.927 4.779 1.00 0.00 C ATOM 775 O SER A 53 -7.581 12.122 4.739 1.00 0.00 O ATOM 776 CB SER A 53 -6.398 9.333 3.504 1.00 0.00 C ATOM 777 OG SER A 53 -5.450 8.276 3.589 1.00 0.00 O ATOM 0 H SER A 53 -7.316 7.785 5.176 1.00 0.00 H new ATOM 0 HA SER A 53 -5.976 10.241 5.434 1.00 0.00 H new ATOM 0 HB2 SER A 53 -7.273 8.996 2.948 1.00 0.00 H new ATOM 0 HB3 SER A 53 -5.968 10.166 2.948 1.00 0.00 H new ATOM 0 HG SER A 53 -5.901 7.454 3.873 1.00 0.00 H new ATOM 783 N ARG A 54 -9.179 10.497 4.723 1.00 0.00 N ATOM 784 CA ARG A 54 -10.343 11.402 4.699 1.00 0.00 C ATOM 785 C ARG A 54 -10.427 12.268 5.989 1.00 0.00 C ATOM 786 O ARG A 54 -10.498 13.497 5.898 1.00 0.00 O ATOM 787 CB ARG A 54 -11.636 10.578 4.477 1.00 0.00 C ATOM 788 CG ARG A 54 -12.965 11.372 4.543 1.00 0.00 C ATOM 789 CD ARG A 54 -14.190 10.465 4.328 1.00 0.00 C ATOM 790 NE ARG A 54 -15.466 11.146 4.637 1.00 0.00 N ATOM 791 CZ ARG A 54 -16.467 10.618 5.320 1.00 0.00 C ATOM 792 NH1 ARG A 54 -16.370 9.427 5.840 1.00 0.00 N ATOM 793 NH2 ARG A 54 -17.556 11.299 5.501 1.00 0.00 N ATOM 0 H ARG A 54 -9.431 9.509 4.693 1.00 0.00 H new ATOM 0 HA ARG A 54 -10.226 12.099 3.869 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -11.572 10.094 3.502 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -11.671 9.785 5.224 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -13.045 11.865 5.512 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -12.957 12.156 3.786 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -14.207 10.123 3.293 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -14.095 9.578 4.955 1.00 0.00 H new ATOM 0 HE ARG A 54 -15.583 12.100 4.296 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -15.512 8.888 5.723 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -17.152 9.034 6.364 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -17.639 12.240 5.117 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -18.330 10.893 6.028 1.00 0.00 H new ATOM 807 N ASP A 55 -10.382 11.639 7.189 1.00 0.00 N ATOM 808 CA ASP A 55 -10.436 12.400 8.469 1.00 0.00 C ATOM 809 C ASP A 55 -9.095 13.125 8.787 1.00 0.00 C ATOM 810 O ASP A 55 -9.053 13.976 9.679 1.00 0.00 O ATOM 811 CB ASP A 55 -10.892 11.509 9.655 1.00 0.00 C ATOM 812 CG ASP A 55 -9.953 10.336 9.973 1.00 0.00 C ATOM 813 OD1 ASP A 55 -8.910 10.550 10.632 1.00 0.00 O ATOM 814 OD2 ASP A 55 -10.264 9.191 9.588 1.00 0.00 O ATOM 0 H ASP A 55 -10.310 10.628 7.301 1.00 0.00 H new ATOM 0 HA ASP A 55 -11.191 13.174 8.332 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -10.987 12.132 10.544 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -11.884 11.114 9.435 1.00 0.00 H new ATOM 819 N ARG A 56 -8.007 12.777 8.061 1.00 0.00 N ATOM 820 CA ARG A 56 -6.715 13.504 8.159 1.00 0.00 C ATOM 821 C ARG A 56 -6.734 14.852 7.382 1.00 0.00 C ATOM 822 O ARG A 56 -5.824 15.672 7.557 1.00 0.00 O ATOM 823 CB ARG A 56 -5.522 12.624 7.679 1.00 0.00 C ATOM 824 CG ARG A 56 -5.205 11.357 8.527 1.00 0.00 C ATOM 825 CD ARG A 56 -4.940 11.650 10.025 1.00 0.00 C ATOM 826 NE ARG A 56 -6.187 11.856 10.784 1.00 0.00 N ATOM 827 CZ ARG A 56 -6.383 12.747 11.731 1.00 0.00 C ATOM 828 NH1 ARG A 56 -5.453 13.568 12.102 1.00 0.00 N ATOM 829 NH2 ARG A 56 -7.534 12.813 12.301 1.00 0.00 N ATOM 0 H ARG A 56 -7.996 11.999 7.401 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.574 13.731 9.216 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -5.722 12.308 6.655 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -4.628 13.247 7.651 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.039 10.660 8.446 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -4.332 10.859 8.105 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.384 10.821 10.462 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -4.312 12.537 10.114 1.00 0.00 H new ATOM 0 HE ARG A 56 -6.973 11.249 10.552 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -4.536 13.535 11.656 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -5.637 14.248 12.840 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -8.281 12.179 12.017 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -7.700 13.499 13.037 1.00 0.00 H new ATOM 843 N GLY A 57 -7.753 15.068 6.516 1.00 0.00 N ATOM 844 CA GLY A 57 -7.931 16.360 5.812 1.00 0.00 C ATOM 845 C GLY A 57 -8.359 16.246 4.339 1.00 0.00 C ATOM 846 O GLY A 57 -8.404 17.257 3.627 1.00 0.00 O ATOM 0 H GLY A 57 -8.460 14.369 6.289 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.677 16.948 6.347 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -6.994 16.915 5.860 1.00 0.00 H new ATOM 850 N ASN A 58 -8.684 15.025 3.872 1.00 0.00 N ATOM 851 CA ASN A 58 -9.067 14.774 2.453 1.00 0.00 C ATOM 852 C ASN A 58 -10.520 14.236 2.339 1.00 0.00 C ATOM 853 O ASN A 58 -11.275 14.245 3.313 1.00 0.00 O ATOM 854 CB ASN A 58 -8.066 13.769 1.818 1.00 0.00 C ATOM 855 CG ASN A 58 -6.593 14.196 1.889 1.00 0.00 C ATOM 856 OD1 ASN A 58 -5.708 13.365 2.043 1.00 0.00 O ATOM 857 ND2 ASN A 58 -6.310 15.484 1.764 1.00 0.00 N ATOM 0 H ASN A 58 -8.691 14.187 4.454 1.00 0.00 H new ATOM 0 HA ASN A 58 -9.028 15.721 1.914 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -8.175 12.806 2.316 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -8.337 13.620 0.773 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -5.340 15.798 1.795 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -7.062 16.161 1.636 1.00 0.00 H new ATOM 864 N ASP A 59 -10.909 13.811 1.118 1.00 0.00 N ATOM 865 CA ASP A 59 -12.181 13.093 0.856 1.00 0.00 C ATOM 866 C ASP A 59 -12.063 12.280 -0.461 1.00 0.00 C ATOM 867 O ASP A 59 -12.414 12.744 -1.549 1.00 0.00 O ATOM 868 CB ASP A 59 -13.412 14.065 0.864 1.00 0.00 C ATOM 869 CG ASP A 59 -13.305 15.255 -0.116 1.00 0.00 C ATOM 870 OD1 ASP A 59 -12.295 15.981 -0.065 1.00 0.00 O ATOM 871 OD2 ASP A 59 -14.242 15.483 -0.919 1.00 0.00 O ATOM 0 H ASP A 59 -10.348 13.956 0.279 1.00 0.00 H new ATOM 0 HA ASP A 59 -12.361 12.388 1.667 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -14.309 13.494 0.624 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -13.543 14.455 1.874 1.00 0.00 H new ATOM 876 N LEU A 60 -11.538 11.047 -0.337 1.00 0.00 N ATOM 877 CA LEU A 60 -11.241 10.158 -1.492 1.00 0.00 C ATOM 878 C LEU A 60 -12.534 9.557 -2.093 1.00 0.00 C ATOM 879 O LEU A 60 -12.589 9.231 -3.280 1.00 0.00 O ATOM 880 CB LEU A 60 -10.244 9.028 -1.069 1.00 0.00 C ATOM 881 CG LEU A 60 -8.791 9.472 -0.654 1.00 0.00 C ATOM 882 CD1 LEU A 60 -8.130 10.339 -1.745 1.00 0.00 C ATOM 883 CD2 LEU A 60 -8.764 10.173 0.726 1.00 0.00 C ATOM 0 H LEU A 60 -11.305 10.632 0.565 1.00 0.00 H new ATOM 0 HA LEU A 60 -10.771 10.762 -2.268 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -10.684 8.485 -0.233 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -10.159 8.324 -1.897 1.00 0.00 H new ATOM 0 HG LEU A 60 -8.199 8.562 -0.555 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -7.129 10.627 -1.424 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -8.064 9.770 -2.672 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.729 11.234 -1.911 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -7.741 10.460 0.968 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -9.393 11.063 0.695 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -9.139 9.490 1.488 1.00 0.00 H new ATOM 895 N MET A 61 -13.573 9.427 -1.249 1.00 0.00 N ATOM 896 CA MET A 61 -14.926 8.999 -1.676 1.00 0.00 C ATOM 897 C MET A 61 -15.645 10.154 -2.397 1.00 0.00 C ATOM 898 O MET A 61 -16.468 9.921 -3.291 1.00 0.00 O ATOM 899 CB MET A 61 -15.762 8.540 -0.455 1.00 0.00 C ATOM 900 CG MET A 61 -15.109 7.412 0.347 1.00 0.00 C ATOM 901 SD MET A 61 -13.605 7.965 1.175 1.00 0.00 S ATOM 902 CE MET A 61 -12.783 6.404 1.440 1.00 0.00 C ATOM 0 H MET A 61 -13.503 9.615 -0.249 1.00 0.00 H new ATOM 0 HA MET A 61 -14.820 8.160 -2.363 1.00 0.00 H new ATOM 0 HB2 MET A 61 -15.927 9.393 0.203 1.00 0.00 H new ATOM 0 HB3 MET A 61 -16.742 8.209 -0.800 1.00 0.00 H new ATOM 0 HG2 MET A 61 -15.815 7.036 1.088 1.00 0.00 H new ATOM 0 HG3 MET A 61 -14.873 6.582 -0.319 1.00 0.00 H new ATOM 0 HE1 MET A 61 -11.832 6.575 1.945 1.00 0.00 H new ATOM 0 HE2 MET A 61 -13.412 5.762 2.057 1.00 0.00 H new ATOM 0 HE3 MET A 61 -12.602 5.921 0.480 1.00 0.00 H new ATOM 912 N THR A 62 -15.311 11.390 -1.968 1.00 0.00 N ATOM 913 CA THR A 62 -15.832 12.646 -2.537 1.00 0.00 C ATOM 914 C THR A 62 -17.377 12.764 -2.353 1.00 0.00 C ATOM 915 O THR A 62 -18.150 12.384 -3.236 1.00 0.00 O ATOM 916 CB THR A 62 -15.403 12.820 -4.043 1.00 0.00 C ATOM 917 OG1 THR A 62 -13.976 12.653 -4.167 1.00 0.00 O ATOM 918 CG2 THR A 62 -15.790 14.193 -4.624 1.00 0.00 C ATOM 0 H THR A 62 -14.657 11.543 -1.200 1.00 0.00 H new ATOM 0 HA THR A 62 -15.382 13.468 -1.979 1.00 0.00 H new ATOM 0 HB THR A 62 -15.938 12.057 -4.608 1.00 0.00 H new ATOM 0 HG1 THR A 62 -13.561 12.714 -3.281 1.00 0.00 H new ATOM 0 HG21 THR A 62 -15.468 14.252 -5.664 1.00 0.00 H new ATOM 0 HG22 THR A 62 -16.871 14.319 -4.571 1.00 0.00 H new ATOM 0 HG23 THR A 62 -15.305 14.981 -4.049 1.00 0.00 H new ATOM 926 N PRO A 63 -17.858 13.258 -1.162 1.00 0.00 N ATOM 927 CA PRO A 63 -19.294 13.581 -0.923 1.00 0.00 C ATOM 928 C PRO A 63 -19.614 15.023 -1.413 1.00 0.00 C ATOM 929 O PRO A 63 -20.325 15.800 -0.765 1.00 0.00 O ATOM 930 CB PRO A 63 -19.400 13.433 0.613 1.00 0.00 C ATOM 931 CG PRO A 63 -18.063 13.906 1.125 1.00 0.00 C ATOM 932 CD PRO A 63 -17.039 13.544 0.051 1.00 0.00 C ATOM 0 HA PRO A 63 -20.003 12.948 -1.456 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -20.215 14.034 1.015 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -19.593 12.400 0.901 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -18.074 14.981 1.305 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -17.818 13.427 2.073 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -16.341 14.363 -0.125 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -16.446 12.677 0.343 1.00 0.00 H new ATOM 940 N ARG A 64 -19.124 15.314 -2.622 1.00 0.00 N ATOM 941 CA ARG A 64 -18.942 16.674 -3.141 1.00 0.00 C ATOM 942 C ARG A 64 -19.372 16.735 -4.630 1.00 0.00 C ATOM 943 O ARG A 64 -18.968 15.864 -5.412 1.00 0.00 O ATOM 944 CB ARG A 64 -17.436 17.025 -3.010 1.00 0.00 C ATOM 945 CG ARG A 64 -17.018 18.418 -3.519 1.00 0.00 C ATOM 946 CD ARG A 64 -15.505 18.512 -3.791 1.00 0.00 C ATOM 947 NE ARG A 64 -14.670 18.205 -2.615 1.00 0.00 N ATOM 948 CZ ARG A 64 -13.598 18.872 -2.255 1.00 0.00 C ATOM 949 NH1 ARG A 64 -13.243 19.967 -2.853 1.00 0.00 N ATOM 950 NH2 ARG A 64 -12.888 18.444 -1.282 1.00 0.00 N ATOM 0 H ARG A 64 -18.836 14.593 -3.283 1.00 0.00 H new ATOM 0 HA ARG A 64 -19.552 17.383 -2.582 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -17.155 16.945 -1.960 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -16.860 16.275 -3.552 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -17.564 18.647 -4.434 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -17.300 19.171 -2.783 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -15.247 17.826 -4.598 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -15.270 19.517 -4.140 1.00 0.00 H new ATOM 0 HE ARG A 64 -14.947 17.412 -2.036 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -13.802 20.331 -3.625 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -12.405 20.464 -2.552 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -13.156 17.590 -0.792 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -12.054 18.956 -0.996 1.00 0.00 H new ATOM 964 N PRO A 65 -20.184 17.757 -5.053 1.00 0.00 N ATOM 965 CA PRO A 65 -20.637 17.893 -6.470 1.00 0.00 C ATOM 966 C PRO A 65 -19.487 18.288 -7.445 1.00 0.00 C ATOM 967 O PRO A 65 -19.572 18.036 -8.654 1.00 0.00 O ATOM 968 CB PRO A 65 -21.727 18.992 -6.389 1.00 0.00 C ATOM 969 CG PRO A 65 -21.337 19.818 -5.194 1.00 0.00 C ATOM 970 CD PRO A 65 -20.726 18.850 -4.197 1.00 0.00 C ATOM 0 HA PRO A 65 -21.003 16.950 -6.876 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -21.752 19.594 -7.297 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -22.720 18.559 -6.266 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -20.623 20.594 -5.472 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -22.205 20.321 -4.768 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -19.941 19.324 -3.608 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -21.470 18.476 -3.494 1.00 0.00 H new ATOM 978 N GLU A 66 -18.421 18.909 -6.901 1.00 0.00 N ATOM 979 CA GLU A 66 -17.237 19.332 -7.688 1.00 0.00 C ATOM 980 C GLU A 66 -16.341 18.126 -8.061 1.00 0.00 C ATOM 981 O GLU A 66 -16.327 17.100 -7.366 1.00 0.00 O ATOM 982 CB GLU A 66 -16.430 20.395 -6.900 1.00 0.00 C ATOM 983 CG GLU A 66 -17.200 21.702 -6.614 1.00 0.00 C ATOM 984 CD GLU A 66 -17.537 22.499 -7.889 1.00 0.00 C ATOM 985 OE1 GLU A 66 -16.661 23.246 -8.383 1.00 0.00 O ATOM 986 OE2 GLU A 66 -18.667 22.369 -8.407 1.00 0.00 O ATOM 0 H GLU A 66 -18.353 19.132 -5.908 1.00 0.00 H new ATOM 0 HA GLU A 66 -17.589 19.774 -8.620 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -16.111 19.961 -5.952 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -15.527 20.636 -7.460 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -18.124 21.464 -6.087 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -16.606 22.328 -5.948 1.00 0.00 H new ATOM 993 N PHE A 67 -15.554 18.288 -9.139 1.00 0.00 N ATOM 994 CA PHE A 67 -14.809 17.182 -9.790 1.00 0.00 C ATOM 995 C PHE A 67 -13.394 16.991 -9.180 1.00 0.00 C ATOM 996 O PHE A 67 -12.388 16.908 -9.893 1.00 0.00 O ATOM 997 CB PHE A 67 -14.747 17.450 -11.320 1.00 0.00 C ATOM 998 CG PHE A 67 -16.126 17.636 -11.965 1.00 0.00 C ATOM 999 CD1 PHE A 67 -16.894 16.534 -12.348 1.00 0.00 C ATOM 1000 CD2 PHE A 67 -16.664 18.910 -12.170 1.00 0.00 C ATOM 1001 CE1 PHE A 67 -18.147 16.701 -12.912 1.00 0.00 C ATOM 1002 CE2 PHE A 67 -17.915 19.073 -12.739 1.00 0.00 C ATOM 1003 CZ PHE A 67 -18.656 17.970 -13.109 1.00 0.00 C ATOM 0 H PHE A 67 -15.412 19.192 -9.590 1.00 0.00 H new ATOM 0 HA PHE A 67 -15.338 16.246 -9.610 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -14.147 18.342 -11.501 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -14.236 16.619 -11.806 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -16.505 15.537 -12.202 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -16.094 19.781 -11.880 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -18.728 15.837 -13.199 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -18.312 20.066 -12.894 1.00 0.00 H new ATOM 0 HZ PHE A 67 -19.633 18.098 -13.552 1.00 0.00 H new ATOM 1013 N ASN A 68 -13.343 16.872 -7.840 1.00 0.00 N ATOM 1014 CA ASN A 68 -12.077 16.703 -7.078 1.00 0.00 C ATOM 1015 C ASN A 68 -11.726 15.208 -6.839 1.00 0.00 C ATOM 1016 O ASN A 68 -10.688 14.905 -6.239 1.00 0.00 O ATOM 1017 CB ASN A 68 -12.177 17.463 -5.729 1.00 0.00 C ATOM 1018 CG ASN A 68 -12.282 18.978 -5.921 1.00 0.00 C ATOM 1019 OD1 ASN A 68 -13.365 19.530 -6.062 1.00 0.00 O ATOM 1020 ND2 ASN A 68 -11.153 19.661 -5.933 1.00 0.00 N ATOM 0 H ASN A 68 -14.174 16.889 -7.249 1.00 0.00 H new ATOM 0 HA ASN A 68 -11.269 17.123 -7.677 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -13.048 17.108 -5.178 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -11.301 17.236 -5.121 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -11.170 20.673 -6.062 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -10.263 19.177 -5.813 1.00 0.00 H new ATOM 1027 N PHE A 69 -12.587 14.290 -7.323 1.00 0.00 N ATOM 1028 CA PHE A 69 -12.399 12.825 -7.163 1.00 0.00 C ATOM 1029 C PHE A 69 -11.220 12.279 -8.034 1.00 0.00 C ATOM 1030 O PHE A 69 -11.120 12.627 -9.214 1.00 0.00 O ATOM 1031 CB PHE A 69 -13.729 12.069 -7.491 1.00 0.00 C ATOM 1032 CG PHE A 69 -14.371 12.403 -8.852 1.00 0.00 C ATOM 1033 CD1 PHE A 69 -14.031 11.700 -10.015 1.00 0.00 C ATOM 1034 CD2 PHE A 69 -15.324 13.422 -8.967 1.00 0.00 C ATOM 1035 CE1 PHE A 69 -14.614 12.005 -11.233 1.00 0.00 C ATOM 1036 CE2 PHE A 69 -15.906 13.719 -10.187 1.00 0.00 C ATOM 1037 CZ PHE A 69 -15.550 13.014 -11.317 1.00 0.00 C ATOM 0 H PHE A 69 -13.433 14.538 -7.836 1.00 0.00 H new ATOM 0 HA PHE A 69 -12.134 12.642 -6.122 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -13.534 10.997 -7.456 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -14.453 12.288 -6.706 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -13.301 10.906 -9.960 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -15.609 13.985 -8.091 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -14.335 11.452 -12.118 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -16.642 14.506 -10.254 1.00 0.00 H new ATOM 0 HZ PHE A 69 -16.004 13.252 -12.268 1.00 0.00 H new ATOM 1047 N PRO A 70 -10.287 11.444 -7.462 1.00 0.00 N ATOM 1048 CA PRO A 70 -9.237 10.746 -8.263 1.00 0.00 C ATOM 1049 C PRO A 70 -9.775 9.469 -8.981 1.00 0.00 C ATOM 1050 O PRO A 70 -10.751 8.857 -8.529 1.00 0.00 O ATOM 1051 CB PRO A 70 -8.163 10.405 -7.199 1.00 0.00 C ATOM 1052 CG PRO A 70 -8.947 10.200 -5.927 1.00 0.00 C ATOM 1053 CD PRO A 70 -10.138 11.154 -6.000 1.00 0.00 C ATOM 0 HA PRO A 70 -8.857 11.358 -9.081 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -7.605 9.509 -7.471 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -7.438 11.212 -7.093 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -9.281 9.166 -5.839 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -8.332 10.412 -5.052 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -11.039 10.698 -5.591 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -9.954 12.065 -5.430 1.00 0.00 H new ATOM 1061 N GLY A 71 -9.120 9.081 -10.099 1.00 0.00 N ATOM 1062 CA GLY A 71 -9.533 7.914 -10.908 1.00 0.00 C ATOM 1063 C GLY A 71 -9.439 6.565 -10.172 1.00 0.00 C ATOM 1064 O GLY A 71 -10.279 5.678 -10.376 1.00 0.00 O ATOM 0 H GLY A 71 -8.298 9.564 -10.462 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -10.561 8.062 -11.240 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -8.913 7.870 -11.803 1.00 0.00 H new ATOM 1068 N LEU A 72 -8.401 6.414 -9.325 1.00 0.00 N ATOM 1069 CA LEU A 72 -8.203 5.206 -8.486 1.00 0.00 C ATOM 1070 C LEU A 72 -9.199 5.194 -7.303 1.00 0.00 C ATOM 1071 O LEU A 72 -9.250 6.141 -6.506 1.00 0.00 O ATOM 1072 CB LEU A 72 -6.732 5.110 -7.961 1.00 0.00 C ATOM 1073 CG LEU A 72 -5.631 4.729 -9.006 1.00 0.00 C ATOM 1074 CD1 LEU A 72 -5.973 3.402 -9.715 1.00 0.00 C ATOM 1075 CD2 LEU A 72 -5.364 5.865 -10.019 1.00 0.00 C ATOM 0 H LEU A 72 -7.676 7.121 -9.201 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.393 4.334 -9.112 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.465 6.071 -7.522 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.706 4.374 -7.157 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.703 4.583 -8.454 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -5.191 3.162 -10.435 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -6.044 2.603 -8.977 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -6.926 3.502 -10.234 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.593 5.551 -10.722 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.281 6.090 -10.563 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -5.030 6.756 -9.487 1.00 0.00 H new ATOM 1087 N LYS A 73 -9.988 4.111 -7.211 1.00 0.00 N ATOM 1088 CA LYS A 73 -10.995 3.919 -6.155 1.00 0.00 C ATOM 1089 C LYS A 73 -10.444 3.004 -5.038 1.00 0.00 C ATOM 1090 O LYS A 73 -9.353 2.423 -5.162 1.00 0.00 O ATOM 1091 CB LYS A 73 -12.286 3.295 -6.762 1.00 0.00 C ATOM 1092 CG LYS A 73 -12.872 4.038 -7.990 1.00 0.00 C ATOM 1093 CD LYS A 73 -13.212 5.526 -7.715 1.00 0.00 C ATOM 1094 CE LYS A 73 -14.296 5.720 -6.635 1.00 0.00 C ATOM 1095 NZ LYS A 73 -14.490 7.153 -6.300 1.00 0.00 N ATOM 0 H LYS A 73 -9.944 3.337 -7.874 1.00 0.00 H new ATOM 0 HA LYS A 73 -11.233 4.890 -5.722 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -12.070 2.266 -7.050 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -13.049 3.255 -5.985 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -12.157 3.984 -8.811 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -13.775 3.523 -8.318 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -12.305 6.047 -7.406 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -13.547 5.991 -8.642 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -15.238 5.298 -6.985 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -14.016 5.171 -5.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -15.226 7.242 -5.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -13.598 7.550 -5.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -14.782 7.672 -7.152 1.00 0.00 H new ATOM 1109 N ALA A 74 -11.226 2.865 -3.960 1.00 0.00 N ATOM 1110 CA ALA A 74 -10.868 2.016 -2.815 1.00 0.00 C ATOM 1111 C ALA A 74 -10.996 0.516 -3.169 1.00 0.00 C ATOM 1112 O ALA A 74 -12.105 -0.018 -3.282 1.00 0.00 O ATOM 1113 CB ALA A 74 -11.737 2.390 -1.614 1.00 0.00 C ATOM 0 H ALA A 74 -12.124 3.337 -3.856 1.00 0.00 H new ATOM 0 HA ALA A 74 -9.824 2.188 -2.555 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -11.473 1.761 -0.764 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -11.571 3.436 -1.357 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -12.787 2.240 -1.864 1.00 0.00 H new ATOM 1119 N GLY A 75 -9.840 -0.141 -3.358 1.00 0.00 N ATOM 1120 CA GLY A 75 -9.772 -1.554 -3.736 1.00 0.00 C ATOM 1121 C GLY A 75 -9.318 -1.781 -5.185 1.00 0.00 C ATOM 1122 O GLY A 75 -9.693 -2.780 -5.806 1.00 0.00 O ATOM 0 H GLY A 75 -8.926 0.298 -3.252 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -9.085 -2.069 -3.064 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -10.754 -2.007 -3.596 1.00 0.00 H new ATOM 1126 N ASP A 76 -8.521 -0.839 -5.735 1.00 0.00 N ATOM 1127 CA ASP A 76 -7.851 -1.008 -7.046 1.00 0.00 C ATOM 1128 C ASP A 76 -6.338 -1.284 -6.871 1.00 0.00 C ATOM 1129 O ASP A 76 -5.577 -0.413 -6.431 1.00 0.00 O ATOM 1130 CB ASP A 76 -8.062 0.240 -7.954 1.00 0.00 C ATOM 1131 CG ASP A 76 -9.470 0.311 -8.563 1.00 0.00 C ATOM 1132 OD1 ASP A 76 -9.867 -0.639 -9.272 1.00 0.00 O ATOM 1133 OD2 ASP A 76 -10.175 1.314 -8.366 1.00 0.00 O ATOM 0 H ASP A 76 -8.324 0.056 -5.287 1.00 0.00 H new ATOM 0 HA ASP A 76 -8.307 -1.871 -7.532 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -7.879 1.142 -7.370 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -7.325 0.226 -8.757 1.00 0.00 H new ATOM 1138 N ARG A 77 -5.916 -2.518 -7.199 1.00 0.00 N ATOM 1139 CA ARG A 77 -4.489 -2.847 -7.393 1.00 0.00 C ATOM 1140 C ARG A 77 -4.072 -2.457 -8.834 1.00 0.00 C ATOM 1141 O ARG A 77 -4.131 -3.267 -9.768 1.00 0.00 O ATOM 1142 CB ARG A 77 -4.235 -4.357 -7.084 1.00 0.00 C ATOM 1143 CG ARG A 77 -5.289 -5.327 -7.677 1.00 0.00 C ATOM 1144 CD ARG A 77 -5.024 -6.799 -7.324 1.00 0.00 C ATOM 1145 NE ARG A 77 -6.125 -7.678 -7.765 1.00 0.00 N ATOM 1146 CZ ARG A 77 -6.033 -8.663 -8.632 1.00 0.00 C ATOM 1147 NH1 ARG A 77 -4.912 -8.942 -9.233 1.00 0.00 N ATOM 1148 NH2 ARG A 77 -7.087 -9.359 -8.905 1.00 0.00 N ATOM 0 H ARG A 77 -6.545 -3.309 -7.336 1.00 0.00 H new ATOM 0 HA ARG A 77 -3.871 -2.278 -6.699 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -3.252 -4.632 -7.467 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -4.205 -4.492 -6.003 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -6.277 -5.045 -7.314 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -5.305 -5.217 -8.761 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -4.093 -7.122 -7.790 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -4.892 -6.896 -6.246 1.00 0.00 H new ATOM 0 HE ARG A 77 -7.045 -7.505 -7.359 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -4.077 -8.391 -9.036 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -4.869 -9.712 -9.901 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -7.974 -9.141 -8.450 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -7.032 -10.126 -9.575 1.00 0.00 H new ATOM 1162 N TRP A 78 -3.646 -1.187 -8.987 1.00 0.00 N ATOM 1163 CA TRP A 78 -3.345 -0.581 -10.304 1.00 0.00 C ATOM 1164 C TRP A 78 -2.706 0.810 -10.119 1.00 0.00 C ATOM 1165 O TRP A 78 -3.303 1.675 -9.478 1.00 0.00 O ATOM 1166 CB TRP A 78 -4.653 -0.452 -11.148 1.00 0.00 C ATOM 1167 CG TRP A 78 -4.462 0.139 -12.536 1.00 0.00 C ATOM 1168 CD1 TRP A 78 -4.715 1.429 -12.938 1.00 0.00 C ATOM 1169 CD2 TRP A 78 -3.970 -0.544 -13.700 1.00 0.00 C ATOM 1170 NE1 TRP A 78 -4.409 1.578 -14.266 1.00 0.00 N ATOM 1171 CE2 TRP A 78 -3.952 0.386 -14.756 1.00 0.00 C ATOM 1172 CE3 TRP A 78 -3.542 -1.853 -13.946 1.00 0.00 C ATOM 1173 CZ2 TRP A 78 -3.528 0.048 -16.039 1.00 0.00 C ATOM 1174 CZ3 TRP A 78 -3.121 -2.186 -15.216 1.00 0.00 C ATOM 1175 CH2 TRP A 78 -3.113 -1.238 -16.250 1.00 0.00 C ATOM 0 H TRP A 78 -3.500 -0.551 -8.203 1.00 0.00 H new ATOM 0 HA TRP A 78 -2.642 -1.227 -10.830 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -5.103 -1.440 -11.248 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -5.363 0.167 -10.600 1.00 0.00 H new ATOM 0 HD1 TRP A 78 -5.099 2.211 -12.300 1.00 0.00 H new ATOM 0 HE1 TRP A 78 -4.507 2.440 -14.803 1.00 0.00 H new ATOM 0 HE3 TRP A 78 -3.541 -2.589 -13.156 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 -3.527 0.775 -16.838 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 -2.792 -3.194 -15.418 1.00 0.00 H new ATOM 0 HH2 TRP A 78 -2.772 -1.530 -17.232 1.00 0.00 H new ATOM 1186 N CYS A 79 -1.474 0.992 -10.650 1.00 0.00 N ATOM 1187 CA CYS A 79 -0.773 2.313 -10.746 1.00 0.00 C ATOM 1188 C CYS A 79 -0.651 3.058 -9.383 1.00 0.00 C ATOM 1189 O CYS A 79 -0.391 4.270 -9.342 1.00 0.00 O ATOM 1190 CB CYS A 79 -1.480 3.211 -11.798 1.00 0.00 C ATOM 1191 SG CYS A 79 -0.622 4.766 -12.169 1.00 0.00 S ATOM 0 H CYS A 79 -0.925 0.222 -11.031 1.00 0.00 H new ATOM 0 HA CYS A 79 0.248 2.102 -11.062 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -1.592 2.644 -12.722 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -2.484 3.442 -11.442 1.00 0.00 H new ATOM 0 HG CYS A 79 0.016 5.172 -11.112 1.00 0.00 H new ATOM 1197 N LEU A 80 -0.798 2.311 -8.273 1.00 0.00 N ATOM 1198 CA LEU A 80 -0.805 2.875 -6.912 1.00 0.00 C ATOM 1199 C LEU A 80 0.621 3.341 -6.531 1.00 0.00 C ATOM 1200 O LEU A 80 1.574 2.560 -6.609 1.00 0.00 O ATOM 1201 CB LEU A 80 -1.378 1.816 -5.896 1.00 0.00 C ATOM 1202 CG LEU A 80 -1.624 2.263 -4.401 1.00 0.00 C ATOM 1203 CD1 LEU A 80 -0.346 2.198 -3.531 1.00 0.00 C ATOM 1204 CD2 LEU A 80 -2.283 3.663 -4.329 1.00 0.00 C ATOM 0 H LEU A 80 -0.915 1.298 -8.296 1.00 0.00 H new ATOM 0 HA LEU A 80 -1.456 3.748 -6.874 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.326 1.454 -6.294 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.694 0.968 -5.880 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.320 1.539 -3.978 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.581 2.517 -2.515 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.030 1.175 -3.512 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.414 2.856 -3.952 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.438 3.939 -3.286 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.633 4.396 -4.806 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.243 3.640 -4.845 1.00 0.00 H new ATOM 1216 N CYS A 81 0.748 4.630 -6.155 1.00 0.00 N ATOM 1217 CA CYS A 81 2.013 5.204 -5.646 1.00 0.00 C ATOM 1218 C CYS A 81 2.433 4.493 -4.340 1.00 0.00 C ATOM 1219 O CYS A 81 1.768 4.644 -3.309 1.00 0.00 O ATOM 1220 CB CYS A 81 1.842 6.718 -5.404 1.00 0.00 C ATOM 1221 SG CYS A 81 3.315 7.544 -4.779 1.00 0.00 S ATOM 0 H CYS A 81 -0.019 5.301 -6.195 1.00 0.00 H new ATOM 0 HA CYS A 81 2.796 5.054 -6.389 1.00 0.00 H new ATOM 0 HB2 CYS A 81 1.544 7.192 -6.340 1.00 0.00 H new ATOM 0 HB3 CYS A 81 1.027 6.870 -4.696 1.00 0.00 H new ATOM 0 HG CYS A 81 3.065 8.809 -4.612 1.00 0.00 H new ATOM 1227 N ALA A 82 3.525 3.705 -4.410 1.00 0.00 N ATOM 1228 CA ALA A 82 3.970 2.798 -3.316 1.00 0.00 C ATOM 1229 C ALA A 82 4.226 3.521 -1.964 1.00 0.00 C ATOM 1230 O ALA A 82 4.103 2.911 -0.903 1.00 0.00 O ATOM 1231 CB ALA A 82 5.227 2.029 -3.757 1.00 0.00 C ATOM 0 H ALA A 82 4.131 3.675 -5.230 1.00 0.00 H new ATOM 0 HA ALA A 82 3.147 2.106 -3.133 1.00 0.00 H new ATOM 0 HB1 ALA A 82 5.549 1.367 -2.953 1.00 0.00 H new ATOM 0 HB2 ALA A 82 5.000 1.439 -4.645 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.024 2.736 -3.986 1.00 0.00 H new ATOM 1237 N SER A 83 4.568 4.820 -2.019 1.00 0.00 N ATOM 1238 CA SER A 83 4.775 5.658 -0.808 1.00 0.00 C ATOM 1239 C SER A 83 3.449 5.918 -0.039 1.00 0.00 C ATOM 1240 O SER A 83 3.463 6.095 1.179 1.00 0.00 O ATOM 1241 CB SER A 83 5.415 7.000 -1.206 1.00 0.00 C ATOM 1242 OG SER A 83 4.599 7.710 -2.122 1.00 0.00 O ATOM 0 H SER A 83 4.710 5.323 -2.895 1.00 0.00 H new ATOM 0 HA SER A 83 5.440 5.109 -0.141 1.00 0.00 H new ATOM 0 HB2 SER A 83 5.577 7.606 -0.315 1.00 0.00 H new ATOM 0 HB3 SER A 83 6.394 6.820 -1.651 1.00 0.00 H new ATOM 0 HG SER A 83 4.546 7.214 -2.966 1.00 0.00 H new ATOM 1248 N ARG A 84 2.319 5.962 -0.777 1.00 0.00 N ATOM 1249 CA ARG A 84 0.956 6.100 -0.190 1.00 0.00 C ATOM 1250 C ARG A 84 0.510 4.780 0.502 1.00 0.00 C ATOM 1251 O ARG A 84 -0.240 4.804 1.486 1.00 0.00 O ATOM 1252 CB ARG A 84 -0.061 6.528 -1.286 1.00 0.00 C ATOM 1253 CG ARG A 84 -1.478 6.867 -0.761 1.00 0.00 C ATOM 1254 CD ARG A 84 -2.428 7.377 -1.867 1.00 0.00 C ATOM 1255 NE ARG A 84 -1.944 8.628 -2.505 1.00 0.00 N ATOM 1256 CZ ARG A 84 -2.691 9.660 -2.863 1.00 0.00 C ATOM 1257 NH1 ARG A 84 -3.972 9.690 -2.633 1.00 0.00 N ATOM 1258 NH2 ARG A 84 -2.138 10.680 -3.434 1.00 0.00 N ATOM 0 H ARG A 84 2.319 5.903 -1.795 1.00 0.00 H new ATOM 0 HA ARG A 84 0.986 6.877 0.573 1.00 0.00 H new ATOM 0 HB2 ARG A 84 0.335 7.398 -1.809 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -0.143 5.725 -2.019 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -1.910 5.979 -0.300 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -1.398 7.624 0.019 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -2.540 6.605 -2.629 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -3.416 7.550 -1.441 1.00 0.00 H new ATOM 0 HE ARG A 84 -0.942 8.698 -2.684 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -4.425 8.905 -2.166 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -4.523 10.499 -2.920 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -1.133 10.685 -3.606 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -2.707 11.479 -3.713 1.00 0.00 H new ATOM 1272 N TRP A 85 0.983 3.638 -0.032 1.00 0.00 N ATOM 1273 CA TRP A 85 0.814 2.310 0.607 1.00 0.00 C ATOM 1274 C TRP A 85 1.635 2.243 1.927 1.00 0.00 C ATOM 1275 O TRP A 85 1.093 1.935 2.996 1.00 0.00 O ATOM 1276 CB TRP A 85 1.184 1.178 -0.411 1.00 0.00 C ATOM 1277 CG TRP A 85 1.662 -0.111 0.213 1.00 0.00 C ATOM 1278 CD1 TRP A 85 2.852 -0.711 -0.017 1.00 0.00 C ATOM 1279 CD2 TRP A 85 0.989 -0.930 1.187 1.00 0.00 C ATOM 1280 NE1 TRP A 85 3.002 -1.799 0.793 1.00 0.00 N ATOM 1281 CE2 TRP A 85 1.865 -1.968 1.524 1.00 0.00 C ATOM 1282 CE3 TRP A 85 -0.250 -0.874 1.812 1.00 0.00 C ATOM 1283 CZ2 TRP A 85 1.543 -2.933 2.463 1.00 0.00 C ATOM 1284 CZ3 TRP A 85 -0.573 -1.832 2.732 1.00 0.00 C ATOM 1285 CH2 TRP A 85 0.321 -2.851 3.051 1.00 0.00 C ATOM 0 H TRP A 85 1.492 3.605 -0.915 1.00 0.00 H new ATOM 0 HA TRP A 85 -0.229 2.156 0.883 1.00 0.00 H new ATOM 0 HB2 TRP A 85 0.310 0.964 -1.026 1.00 0.00 H new ATOM 0 HB3 TRP A 85 1.961 1.551 -1.079 1.00 0.00 H new ATOM 0 HD1 TRP A 85 3.581 -0.376 -0.740 1.00 0.00 H new ATOM 0 HE1 TRP A 85 3.832 -2.390 0.843 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -0.948 -0.085 1.575 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 2.236 -3.721 2.718 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -1.536 -1.798 3.219 1.00 0.00 H new ATOM 0 HH2 TRP A 85 0.036 -3.593 3.782 1.00 0.00 H new ATOM 1296 N GLN A 86 2.937 2.547 1.820 1.00 0.00 N ATOM 1297 CA GLN A 86 3.870 2.599 2.970 1.00 0.00 C ATOM 1298 C GLN A 86 3.395 3.589 4.069 1.00 0.00 C ATOM 1299 O GLN A 86 3.570 3.331 5.263 1.00 0.00 O ATOM 1300 CB GLN A 86 5.285 2.963 2.448 1.00 0.00 C ATOM 1301 CG GLN A 86 6.422 2.994 3.501 1.00 0.00 C ATOM 1302 CD GLN A 86 6.516 1.736 4.374 1.00 0.00 C ATOM 1303 OE1 GLN A 86 7.184 0.780 4.040 1.00 0.00 O ATOM 1304 NE2 GLN A 86 5.879 1.741 5.517 1.00 0.00 N ATOM 0 H GLN A 86 3.382 2.766 0.929 1.00 0.00 H new ATOM 0 HA GLN A 86 3.897 1.618 3.445 1.00 0.00 H new ATOM 0 HB2 GLN A 86 5.557 2.247 1.672 1.00 0.00 H new ATOM 0 HB3 GLN A 86 5.232 3.943 1.973 1.00 0.00 H new ATOM 0 HG2 GLN A 86 7.372 3.136 2.987 1.00 0.00 H new ATOM 0 HG3 GLN A 86 6.278 3.860 4.148 1.00 0.00 H new ATOM 0 HE21 GLN A 86 5.321 2.551 5.786 1.00 0.00 H new ATOM 0 HE22 GLN A 86 5.941 0.935 6.139 1.00 0.00 H new ATOM 1313 N GLU A 87 2.767 4.700 3.638 1.00 0.00 N ATOM 1314 CA GLU A 87 2.159 5.708 4.546 1.00 0.00 C ATOM 1315 C GLU A 87 1.187 5.055 5.565 1.00 0.00 C ATOM 1316 O GLU A 87 1.154 5.434 6.734 1.00 0.00 O ATOM 1317 CB GLU A 87 1.404 6.777 3.712 1.00 0.00 C ATOM 1318 CG GLU A 87 0.754 7.924 4.524 1.00 0.00 C ATOM 1319 CD GLU A 87 1.776 8.811 5.258 1.00 0.00 C ATOM 1320 OE1 GLU A 87 2.278 9.779 4.649 1.00 0.00 O ATOM 1321 OE2 GLU A 87 2.086 8.545 6.438 1.00 0.00 O ATOM 0 H GLU A 87 2.664 4.930 2.650 1.00 0.00 H new ATOM 0 HA GLU A 87 2.965 6.178 5.109 1.00 0.00 H new ATOM 0 HB2 GLU A 87 2.101 7.213 2.997 1.00 0.00 H new ATOM 0 HB3 GLU A 87 0.625 6.278 3.135 1.00 0.00 H new ATOM 0 HG2 GLU A 87 0.162 8.545 3.851 1.00 0.00 H new ATOM 0 HG3 GLU A 87 0.065 7.498 5.253 1.00 0.00 H new ATOM 1328 N ALA A 88 0.422 4.057 5.090 1.00 0.00 N ATOM 1329 CA ALA A 88 -0.569 3.335 5.906 1.00 0.00 C ATOM 1330 C ALA A 88 0.083 2.484 7.026 1.00 0.00 C ATOM 1331 O ALA A 88 -0.481 2.371 8.120 1.00 0.00 O ATOM 1332 CB ALA A 88 -1.447 2.472 5.002 1.00 0.00 C ATOM 0 H ALA A 88 0.474 3.727 4.126 1.00 0.00 H new ATOM 0 HA ALA A 88 -1.187 4.078 6.410 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -2.180 1.939 5.608 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -1.964 3.107 4.283 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -0.825 1.753 4.469 1.00 0.00 H new ATOM 1338 N PHE A 89 1.254 1.884 6.742 1.00 0.00 N ATOM 1339 CA PHE A 89 2.045 1.153 7.764 1.00 0.00 C ATOM 1340 C PHE A 89 2.597 2.133 8.818 1.00 0.00 C ATOM 1341 O PHE A 89 2.490 1.894 10.022 1.00 0.00 O ATOM 1342 CB PHE A 89 3.204 0.375 7.099 1.00 0.00 C ATOM 1343 CG PHE A 89 4.113 -0.377 8.088 1.00 0.00 C ATOM 1344 CD1 PHE A 89 3.628 -1.468 8.811 1.00 0.00 C ATOM 1345 CD2 PHE A 89 5.436 0.016 8.309 1.00 0.00 C ATOM 1346 CE1 PHE A 89 4.431 -2.141 9.711 1.00 0.00 C ATOM 1347 CE2 PHE A 89 6.237 -0.658 9.214 1.00 0.00 C ATOM 1348 CZ PHE A 89 5.735 -1.737 9.914 1.00 0.00 C ATOM 0 H PHE A 89 1.678 1.888 5.814 1.00 0.00 H new ATOM 0 HA PHE A 89 1.388 0.439 8.261 1.00 0.00 H new ATOM 0 HB2 PHE A 89 2.786 -0.341 6.391 1.00 0.00 H new ATOM 0 HB3 PHE A 89 3.812 1.074 6.524 1.00 0.00 H new ATOM 0 HD1 PHE A 89 2.608 -1.791 8.664 1.00 0.00 H new ATOM 0 HD2 PHE A 89 5.839 0.858 7.766 1.00 0.00 H new ATOM 0 HE1 PHE A 89 4.037 -2.985 10.257 1.00 0.00 H new ATOM 0 HE2 PHE A 89 7.257 -0.339 9.373 1.00 0.00 H new ATOM 0 HZ PHE A 89 6.361 -2.264 10.619 1.00 0.00 H new ATOM 1358 N GLU A 90 3.164 3.242 8.333 1.00 0.00 N ATOM 1359 CA GLU A 90 3.715 4.326 9.181 1.00 0.00 C ATOM 1360 C GLU A 90 2.602 5.052 9.986 1.00 0.00 C ATOM 1361 O GLU A 90 2.877 5.717 10.989 1.00 0.00 O ATOM 1362 CB GLU A 90 4.498 5.308 8.269 1.00 0.00 C ATOM 1363 CG GLU A 90 5.657 4.631 7.499 1.00 0.00 C ATOM 1364 CD GLU A 90 6.294 5.524 6.420 1.00 0.00 C ATOM 1365 OE1 GLU A 90 5.615 5.825 5.419 1.00 0.00 O ATOM 1366 OE2 GLU A 90 7.467 5.925 6.565 1.00 0.00 O ATOM 0 H GLU A 90 3.259 3.423 7.334 1.00 0.00 H new ATOM 0 HA GLU A 90 4.390 3.899 9.923 1.00 0.00 H new ATOM 0 HB2 GLU A 90 3.809 5.758 7.554 1.00 0.00 H new ATOM 0 HB3 GLU A 90 4.899 6.118 8.878 1.00 0.00 H new ATOM 0 HG2 GLU A 90 6.427 4.332 8.210 1.00 0.00 H new ATOM 0 HG3 GLU A 90 5.285 3.720 7.030 1.00 0.00 H new ATOM 1373 N ALA A 91 1.351 4.903 9.516 1.00 0.00 N ATOM 1374 CA ALA A 91 0.134 5.347 10.233 1.00 0.00 C ATOM 1375 C ALA A 91 -0.327 4.303 11.280 1.00 0.00 C ATOM 1376 O ALA A 91 -1.004 4.644 12.253 1.00 0.00 O ATOM 1377 CB ALA A 91 -0.988 5.603 9.215 1.00 0.00 C ATOM 0 H ALA A 91 1.150 4.466 8.617 1.00 0.00 H new ATOM 0 HA ALA A 91 0.369 6.267 10.769 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -1.886 5.930 9.738 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -0.674 6.377 8.514 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -1.201 4.684 8.669 1.00 0.00 H new ATOM 1383 N GLY A 92 0.031 3.023 11.044 1.00 0.00 N ATOM 1384 CA GLY A 92 -0.298 1.916 11.961 1.00 0.00 C ATOM 1385 C GLY A 92 -1.329 0.923 11.400 1.00 0.00 C ATOM 1386 O GLY A 92 -1.503 -0.169 11.951 1.00 0.00 O ATOM 0 H GLY A 92 0.553 2.731 10.218 1.00 0.00 H new ATOM 0 HA2 GLY A 92 0.617 1.375 12.204 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -0.680 2.332 12.893 1.00 0.00 H new ATOM 1390 N MET A 93 -2.003 1.301 10.291 1.00 0.00 N ATOM 1391 CA MET A 93 -3.112 0.512 9.689 1.00 0.00 C ATOM 1392 C MET A 93 -2.584 -0.521 8.648 1.00 0.00 C ATOM 1393 O MET A 93 -2.400 -1.696 8.975 1.00 0.00 O ATOM 1394 CB MET A 93 -4.137 1.472 9.020 1.00 0.00 C ATOM 1395 CG MET A 93 -4.587 2.645 9.896 1.00 0.00 C ATOM 1396 SD MET A 93 -5.760 3.714 9.048 1.00 0.00 S ATOM 1397 CE MET A 93 -7.164 2.619 8.811 1.00 0.00 C ATOM 0 H MET A 93 -1.797 2.162 9.784 1.00 0.00 H new ATOM 0 HA MET A 93 -3.601 -0.046 10.487 1.00 0.00 H new ATOM 0 HB2 MET A 93 -3.698 1.868 8.104 1.00 0.00 H new ATOM 0 HB3 MET A 93 -5.016 0.897 8.729 1.00 0.00 H new ATOM 0 HG2 MET A 93 -5.042 2.261 10.809 1.00 0.00 H new ATOM 0 HG3 MET A 93 -3.716 3.228 10.195 1.00 0.00 H new ATOM 0 HE1 MET A 93 -8.084 3.149 9.057 1.00 0.00 H new ATOM 0 HE2 MET A 93 -7.200 2.293 7.772 1.00 0.00 H new ATOM 0 HE3 MET A 93 -7.061 1.750 9.461 1.00 0.00 H new ATOM 1407 N ALA A 94 -2.329 -0.033 7.409 1.00 0.00 N ATOM 1408 CA ALA A 94 -1.874 -0.841 6.247 1.00 0.00 C ATOM 1409 C ALA A 94 -2.862 -1.980 5.831 1.00 0.00 C ATOM 1410 O ALA A 94 -2.900 -3.041 6.468 1.00 0.00 O ATOM 1411 CB ALA A 94 -0.451 -1.364 6.465 1.00 0.00 C ATOM 0 H ALA A 94 -2.436 0.956 7.183 1.00 0.00 H new ATOM 0 HA ALA A 94 -1.863 -0.160 5.396 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -0.143 -1.952 5.600 1.00 0.00 H new ATOM 0 HB2 ALA A 94 0.230 -0.523 6.593 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -0.426 -1.990 7.357 1.00 0.00 H new ATOM 1417 N PRO A 95 -3.701 -1.741 4.766 1.00 0.00 N ATOM 1418 CA PRO A 95 -4.572 -2.788 4.127 1.00 0.00 C ATOM 1419 C PRO A 95 -3.800 -4.042 3.590 1.00 0.00 C ATOM 1420 O PRO A 95 -2.575 -4.020 3.501 1.00 0.00 O ATOM 1421 CB PRO A 95 -5.226 -2.013 2.945 1.00 0.00 C ATOM 1422 CG PRO A 95 -5.220 -0.587 3.388 1.00 0.00 C ATOM 1423 CD PRO A 95 -3.914 -0.413 4.124 1.00 0.00 C ATOM 0 HA PRO A 95 -5.269 -3.209 4.851 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -4.661 -2.145 2.022 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -6.239 -2.365 2.751 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -5.287 0.091 2.537 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -6.070 -0.371 4.035 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -3.100 -0.160 3.444 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -3.972 0.386 4.863 1.00 0.00 H new ATOM 1431 N PRO A 96 -4.507 -5.170 3.247 1.00 0.00 N ATOM 1432 CA PRO A 96 -3.866 -6.333 2.563 1.00 0.00 C ATOM 1433 C PRO A 96 -3.384 -5.999 1.110 1.00 0.00 C ATOM 1434 O PRO A 96 -4.145 -5.456 0.297 1.00 0.00 O ATOM 1435 CB PRO A 96 -4.983 -7.415 2.568 1.00 0.00 C ATOM 1436 CG PRO A 96 -6.265 -6.635 2.678 1.00 0.00 C ATOM 1437 CD PRO A 96 -5.945 -5.436 3.546 1.00 0.00 C ATOM 0 HA PRO A 96 -2.955 -6.654 3.069 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -4.960 -8.013 1.657 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -4.865 -8.103 3.405 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -6.619 -6.323 1.695 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -7.054 -7.241 3.123 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -6.573 -4.580 3.297 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -6.103 -5.651 4.603 1.00 0.00 H new ATOM 1445 N VAL A 97 -2.108 -6.325 0.806 1.00 0.00 N ATOM 1446 CA VAL A 97 -1.485 -6.084 -0.517 1.00 0.00 C ATOM 1447 C VAL A 97 -1.088 -7.423 -1.201 1.00 0.00 C ATOM 1448 O VAL A 97 -0.799 -8.431 -0.539 1.00 0.00 O ATOM 1449 CB VAL A 97 -0.246 -5.107 -0.382 1.00 0.00 C ATOM 1450 CG1 VAL A 97 0.831 -5.675 0.560 1.00 0.00 C ATOM 1451 CG2 VAL A 97 0.373 -4.725 -1.754 1.00 0.00 C ATOM 0 H VAL A 97 -1.477 -6.766 1.475 1.00 0.00 H new ATOM 0 HA VAL A 97 -2.221 -5.599 -1.158 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.637 -4.191 0.060 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.664 -4.975 0.625 1.00 0.00 H new ATOM 0 HG12 VAL A 97 0.405 -5.825 1.552 1.00 0.00 H new ATOM 0 HG13 VAL A 97 1.189 -6.628 0.171 1.00 0.00 H new ATOM 0 HG21 VAL A 97 1.218 -4.054 -1.598 1.00 0.00 H new ATOM 0 HG22 VAL A 97 0.715 -5.626 -2.263 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -0.378 -4.226 -2.366 1.00 0.00 H new ATOM 1461 N VAL A 98 -1.088 -7.410 -2.541 1.00 0.00 N ATOM 1462 CA VAL A 98 -0.912 -8.611 -3.385 1.00 0.00 C ATOM 1463 C VAL A 98 0.581 -8.934 -3.704 1.00 0.00 C ATOM 1464 O VAL A 98 1.145 -8.392 -4.641 1.00 0.00 O ATOM 1465 CB VAL A 98 -1.740 -8.446 -4.731 1.00 0.00 C ATOM 1466 CG1 VAL A 98 -3.249 -8.593 -4.473 1.00 0.00 C ATOM 1467 CG2 VAL A 98 -1.460 -7.082 -5.429 1.00 0.00 C ATOM 0 H VAL A 98 -1.212 -6.554 -3.082 1.00 0.00 H new ATOM 0 HA VAL A 98 -1.290 -9.457 -2.811 1.00 0.00 H new ATOM 0 HB VAL A 98 -1.410 -9.242 -5.398 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -3.792 -8.476 -5.411 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -3.453 -9.580 -4.057 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.574 -7.828 -3.768 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -2.048 -7.014 -6.344 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -1.736 -6.267 -4.760 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -0.400 -7.009 -5.672 1.00 0.00 H new ATOM 1477 N LEU A 99 1.212 -9.864 -2.951 1.00 0.00 N ATOM 1478 CA LEU A 99 2.593 -10.353 -3.285 1.00 0.00 C ATOM 1479 C LEU A 99 2.662 -11.012 -4.695 1.00 0.00 C ATOM 1480 O LEU A 99 3.732 -11.077 -5.307 1.00 0.00 O ATOM 1481 CB LEU A 99 3.133 -11.361 -2.215 1.00 0.00 C ATOM 1482 CG LEU A 99 3.682 -10.755 -0.884 1.00 0.00 C ATOM 1483 CD1 LEU A 99 4.221 -11.866 0.048 1.00 0.00 C ATOM 1484 CD2 LEU A 99 4.766 -9.683 -1.151 1.00 0.00 C ATOM 0 H LEU A 99 0.805 -10.292 -2.119 1.00 0.00 H new ATOM 0 HA LEU A 99 3.227 -9.466 -3.286 1.00 0.00 H new ATOM 0 HB2 LEU A 99 2.329 -12.054 -1.966 1.00 0.00 H new ATOM 0 HB3 LEU A 99 3.929 -11.948 -2.674 1.00 0.00 H new ATOM 0 HG LEU A 99 2.850 -10.262 -0.381 1.00 0.00 H new ATOM 0 HD11 LEU A 99 4.598 -11.418 0.968 1.00 0.00 H new ATOM 0 HD12 LEU A 99 3.417 -12.563 0.286 1.00 0.00 H new ATOM 0 HD13 LEU A 99 5.028 -12.401 -0.452 1.00 0.00 H new ATOM 0 HD21 LEU A 99 5.124 -9.284 -0.202 1.00 0.00 H new ATOM 0 HD22 LEU A 99 5.598 -10.134 -1.693 1.00 0.00 H new ATOM 0 HD23 LEU A 99 4.340 -8.875 -1.747 1.00 0.00 H new ATOM 1496 N GLN A 100 1.509 -11.509 -5.176 1.00 0.00 N ATOM 1497 CA GLN A 100 1.366 -12.135 -6.512 1.00 0.00 C ATOM 1498 C GLN A 100 1.542 -11.116 -7.676 1.00 0.00 C ATOM 1499 O GLN A 100 2.044 -11.482 -8.741 1.00 0.00 O ATOM 1500 CB GLN A 100 -0.027 -12.828 -6.608 1.00 0.00 C ATOM 1501 CG GLN A 100 -1.227 -11.882 -6.375 1.00 0.00 C ATOM 1502 CD GLN A 100 -2.582 -12.589 -6.408 1.00 0.00 C ATOM 1503 OE1 GLN A 100 -3.083 -13.047 -5.388 1.00 0.00 O ATOM 1504 NE2 GLN A 100 -3.181 -12.692 -7.575 1.00 0.00 N ATOM 0 H GLN A 100 0.638 -11.489 -4.646 1.00 0.00 H new ATOM 0 HA GLN A 100 2.163 -12.871 -6.619 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -0.125 -13.284 -7.593 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -0.069 -13.635 -5.877 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -1.108 -11.389 -5.410 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -1.216 -11.101 -7.135 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -2.743 -12.302 -8.409 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -4.084 -13.162 -7.645 1.00 0.00 H new ATOM 1513 N SER A 101 1.138 -9.842 -7.467 1.00 0.00 N ATOM 1514 CA SER A 101 1.150 -8.805 -8.544 1.00 0.00 C ATOM 1515 C SER A 101 2.139 -7.660 -8.238 1.00 0.00 C ATOM 1516 O SER A 101 2.868 -7.235 -9.134 1.00 0.00 O ATOM 1517 CB SER A 101 -0.264 -8.227 -8.769 1.00 0.00 C ATOM 1518 OG SER A 101 -0.289 -7.248 -9.812 1.00 0.00 O ATOM 0 H SER A 101 0.799 -9.500 -6.568 1.00 0.00 H new ATOM 0 HA SER A 101 1.484 -9.303 -9.455 1.00 0.00 H new ATOM 0 HB2 SER A 101 -0.950 -9.037 -9.017 1.00 0.00 H new ATOM 0 HB3 SER A 101 -0.622 -7.778 -7.843 1.00 0.00 H new ATOM 0 HG SER A 101 -1.202 -6.910 -9.922 1.00 0.00 H new ATOM 1524 N THR A 102 2.123 -7.145 -6.984 1.00 0.00 N ATOM 1525 CA THR A 102 3.054 -6.063 -6.519 1.00 0.00 C ATOM 1526 C THR A 102 4.535 -6.356 -6.890 1.00 0.00 C ATOM 1527 O THR A 102 5.141 -7.295 -6.365 1.00 0.00 O ATOM 1528 CB THR A 102 2.948 -5.835 -4.970 1.00 0.00 C ATOM 1529 OG1 THR A 102 1.575 -5.655 -4.598 1.00 0.00 O ATOM 1530 CG2 THR A 102 3.737 -4.602 -4.512 1.00 0.00 C ATOM 0 H THR A 102 1.473 -7.459 -6.264 1.00 0.00 H new ATOM 0 HA THR A 102 2.740 -5.158 -7.039 1.00 0.00 H new ATOM 0 HB THR A 102 3.370 -6.717 -4.488 1.00 0.00 H new ATOM 0 HG1 THR A 102 1.134 -5.069 -5.248 1.00 0.00 H new ATOM 0 HG21 THR A 102 3.634 -4.484 -3.433 1.00 0.00 H new ATOM 0 HG22 THR A 102 4.790 -4.729 -4.764 1.00 0.00 H new ATOM 0 HG23 THR A 102 3.349 -3.715 -5.012 1.00 0.00 H new ATOM 1538 N GLU A 103 5.091 -5.534 -7.796 1.00 0.00 N ATOM 1539 CA GLU A 103 6.398 -5.791 -8.444 1.00 0.00 C ATOM 1540 C GLU A 103 7.607 -5.330 -7.587 1.00 0.00 C ATOM 1541 O GLU A 103 7.450 -4.700 -6.536 1.00 0.00 O ATOM 1542 CB GLU A 103 6.441 -5.105 -9.844 1.00 0.00 C ATOM 1543 CG GLU A 103 5.312 -5.525 -10.835 1.00 0.00 C ATOM 1544 CD GLU A 103 4.103 -4.554 -10.881 1.00 0.00 C ATOM 1545 OE1 GLU A 103 3.514 -4.262 -9.822 1.00 0.00 O ATOM 1546 OE2 GLU A 103 3.753 -4.062 -11.982 1.00 0.00 O ATOM 0 H GLU A 103 4.649 -4.668 -8.104 1.00 0.00 H new ATOM 0 HA GLU A 103 6.488 -6.872 -8.553 1.00 0.00 H new ATOM 0 HB2 GLU A 103 6.392 -4.025 -9.701 1.00 0.00 H new ATOM 0 HB3 GLU A 103 7.404 -5.322 -10.306 1.00 0.00 H new ATOM 0 HG2 GLU A 103 5.736 -5.605 -11.836 1.00 0.00 H new ATOM 0 HG3 GLU A 103 4.955 -6.517 -10.560 1.00 0.00 H new ATOM 1553 N LYS A 104 8.827 -5.631 -8.093 1.00 0.00 N ATOM 1554 CA LYS A 104 10.109 -5.376 -7.383 1.00 0.00 C ATOM 1555 C LYS A 104 10.428 -3.877 -7.226 1.00 0.00 C ATOM 1556 O LYS A 104 11.227 -3.496 -6.360 1.00 0.00 O ATOM 1557 CB LYS A 104 11.279 -6.089 -8.113 1.00 0.00 C ATOM 1558 CG LYS A 104 11.086 -7.611 -8.302 1.00 0.00 C ATOM 1559 CD LYS A 104 10.811 -8.339 -6.975 1.00 0.00 C ATOM 1560 CE LYS A 104 11.997 -8.263 -6.003 1.00 0.00 C ATOM 1561 NZ LYS A 104 13.242 -8.835 -6.583 1.00 0.00 N ATOM 0 H LYS A 104 8.953 -6.060 -9.010 1.00 0.00 H new ATOM 0 HA LYS A 104 9.992 -5.783 -6.379 1.00 0.00 H new ATOM 0 HB2 LYS A 104 11.414 -5.629 -9.092 1.00 0.00 H new ATOM 0 HB3 LYS A 104 12.198 -5.919 -7.552 1.00 0.00 H new ATOM 0 HG2 LYS A 104 10.257 -7.787 -8.988 1.00 0.00 H new ATOM 0 HG3 LYS A 104 11.978 -8.032 -8.766 1.00 0.00 H new ATOM 0 HD2 LYS A 104 9.930 -7.904 -6.502 1.00 0.00 H new ATOM 0 HD3 LYS A 104 10.580 -9.384 -7.179 1.00 0.00 H new ATOM 0 HE2 LYS A 104 12.172 -7.223 -5.728 1.00 0.00 H new ATOM 0 HE3 LYS A 104 11.747 -8.798 -5.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 13.678 -9.484 -5.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 13.012 -9.355 -7.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 13.907 -8.067 -6.803 1.00 0.00 H new ATOM 1575 N SER A 105 9.815 -3.040 -8.071 1.00 0.00 N ATOM 1576 CA SER A 105 9.975 -1.571 -7.972 1.00 0.00 C ATOM 1577 C SER A 105 9.303 -1.006 -6.698 1.00 0.00 C ATOM 1578 O SER A 105 9.772 -0.016 -6.156 1.00 0.00 O ATOM 1579 CB SER A 105 9.435 -0.858 -9.225 1.00 0.00 C ATOM 1580 OG SER A 105 9.684 0.544 -9.179 1.00 0.00 O ATOM 0 H SER A 105 9.205 -3.345 -8.830 1.00 0.00 H new ATOM 0 HA SER A 105 11.045 -1.375 -7.903 1.00 0.00 H new ATOM 0 HB2 SER A 105 9.901 -1.282 -10.115 1.00 0.00 H new ATOM 0 HB3 SER A 105 8.363 -1.035 -9.311 1.00 0.00 H new ATOM 0 HG SER A 105 8.838 1.023 -9.053 1.00 0.00 H new ATOM 1586 N ALA A 106 8.226 -1.658 -6.216 1.00 0.00 N ATOM 1587 CA ALA A 106 7.534 -1.264 -4.957 1.00 0.00 C ATOM 1588 C ALA A 106 8.464 -1.353 -3.716 1.00 0.00 C ATOM 1589 O ALA A 106 8.330 -0.573 -2.767 1.00 0.00 O ATOM 1590 CB ALA A 106 6.289 -2.127 -4.753 1.00 0.00 C ATOM 0 H ALA A 106 7.809 -2.466 -6.678 1.00 0.00 H new ATOM 0 HA ALA A 106 7.241 -0.219 -5.060 1.00 0.00 H new ATOM 0 HB1 ALA A 106 5.789 -1.832 -3.830 1.00 0.00 H new ATOM 0 HB2 ALA A 106 5.609 -1.989 -5.594 1.00 0.00 H new ATOM 0 HB3 ALA A 106 6.580 -3.176 -4.689 1.00 0.00 H new ATOM 1596 N LEU A 107 9.419 -2.303 -3.759 1.00 0.00 N ATOM 1597 CA LEU A 107 10.452 -2.494 -2.704 1.00 0.00 C ATOM 1598 C LEU A 107 11.355 -1.243 -2.544 1.00 0.00 C ATOM 1599 O LEU A 107 11.868 -0.969 -1.461 1.00 0.00 O ATOM 1600 CB LEU A 107 11.339 -3.735 -3.024 1.00 0.00 C ATOM 1601 CG LEU A 107 10.705 -5.150 -2.814 1.00 0.00 C ATOM 1602 CD1 LEU A 107 9.489 -5.418 -3.724 1.00 0.00 C ATOM 1603 CD2 LEU A 107 11.772 -6.252 -2.980 1.00 0.00 C ATOM 0 H LEU A 107 9.502 -2.967 -4.529 1.00 0.00 H new ATOM 0 HA LEU A 107 9.922 -2.654 -1.765 1.00 0.00 H new ATOM 0 HB2 LEU A 107 11.659 -3.661 -4.063 1.00 0.00 H new ATOM 0 HB3 LEU A 107 12.237 -3.674 -2.409 1.00 0.00 H new ATOM 0 HG LEU A 107 10.326 -5.170 -1.792 1.00 0.00 H new ATOM 0 HD11 LEU A 107 9.099 -6.416 -3.526 1.00 0.00 H new ATOM 0 HD12 LEU A 107 8.714 -4.679 -3.522 1.00 0.00 H new ATOM 0 HD13 LEU A 107 9.794 -5.348 -4.768 1.00 0.00 H new ATOM 0 HD21 LEU A 107 11.312 -7.229 -2.830 1.00 0.00 H new ATOM 0 HD22 LEU A 107 12.196 -6.200 -3.983 1.00 0.00 H new ATOM 0 HD23 LEU A 107 12.563 -6.107 -2.244 1.00 0.00 H new ATOM 1615 N ARG A 108 11.509 -0.484 -3.637 1.00 0.00 N ATOM 1616 CA ARG A 108 12.375 0.721 -3.693 1.00 0.00 C ATOM 1617 C ARG A 108 11.754 1.938 -2.954 1.00 0.00 C ATOM 1618 O ARG A 108 12.395 2.988 -2.816 1.00 0.00 O ATOM 1619 CB ARG A 108 12.650 1.057 -5.183 1.00 0.00 C ATOM 1620 CG ARG A 108 13.223 -0.133 -5.995 1.00 0.00 C ATOM 1621 CD ARG A 108 13.554 0.240 -7.448 1.00 0.00 C ATOM 1622 NE ARG A 108 14.716 1.141 -7.530 1.00 0.00 N ATOM 1623 CZ ARG A 108 15.023 1.898 -8.559 1.00 0.00 C ATOM 1624 NH1 ARG A 108 14.208 2.040 -9.562 1.00 0.00 N ATOM 1625 NH2 ARG A 108 16.144 2.539 -8.559 1.00 0.00 N ATOM 0 H ARG A 108 11.036 -0.683 -4.519 1.00 0.00 H new ATOM 0 HA ARG A 108 13.309 0.502 -3.175 1.00 0.00 H new ATOM 0 HB2 ARG A 108 11.722 1.390 -5.648 1.00 0.00 H new ATOM 0 HB3 ARG A 108 13.350 1.891 -5.235 1.00 0.00 H new ATOM 0 HG2 ARG A 108 14.125 -0.500 -5.505 1.00 0.00 H new ATOM 0 HG3 ARG A 108 12.502 -0.951 -5.990 1.00 0.00 H new ATOM 0 HD2 ARG A 108 13.756 -0.666 -8.019 1.00 0.00 H new ATOM 0 HD3 ARG A 108 12.689 0.720 -7.906 1.00 0.00 H new ATOM 0 HE ARG A 108 15.334 1.181 -6.720 1.00 0.00 H new ATOM 0 HH11 ARG A 108 13.309 1.558 -9.561 1.00 0.00 H new ATOM 0 HH12 ARG A 108 14.468 2.633 -10.350 1.00 0.00 H new ATOM 0 HH21 ARG A 108 16.780 2.454 -7.766 1.00 0.00 H new ATOM 0 HH22 ARG A 108 16.394 3.130 -9.352 1.00 0.00 H new ATOM 1639 N TYR A 109 10.503 1.780 -2.485 1.00 0.00 N ATOM 1640 CA TYR A 109 9.753 2.827 -1.761 1.00 0.00 C ATOM 1641 C TYR A 109 9.351 2.335 -0.346 1.00 0.00 C ATOM 1642 O TYR A 109 9.516 3.058 0.645 1.00 0.00 O ATOM 1643 CB TYR A 109 8.482 3.216 -2.568 1.00 0.00 C ATOM 1644 CG TYR A 109 8.749 3.625 -4.034 1.00 0.00 C ATOM 1645 CD1 TYR A 109 8.867 2.657 -5.031 1.00 0.00 C ATOM 1646 CD2 TYR A 109 8.876 4.962 -4.416 1.00 0.00 C ATOM 1647 CE1 TYR A 109 9.101 3.000 -6.347 1.00 0.00 C ATOM 1648 CE2 TYR A 109 9.112 5.310 -5.737 1.00 0.00 C ATOM 1649 CZ TYR A 109 9.222 4.322 -6.698 1.00 0.00 C ATOM 1650 OH TYR A 109 9.449 4.657 -8.014 1.00 0.00 O ATOM 0 H TYR A 109 9.977 0.913 -2.598 1.00 0.00 H new ATOM 0 HA TYR A 109 10.394 3.702 -1.652 1.00 0.00 H new ATOM 0 HB2 TYR A 109 7.791 2.373 -2.560 1.00 0.00 H new ATOM 0 HB3 TYR A 109 7.984 4.041 -2.060 1.00 0.00 H new ATOM 0 HD1 TYR A 109 8.773 1.614 -4.767 1.00 0.00 H new ATOM 0 HD2 TYR A 109 8.789 5.738 -3.670 1.00 0.00 H new ATOM 0 HE1 TYR A 109 9.189 2.230 -7.099 1.00 0.00 H new ATOM 0 HE2 TYR A 109 9.210 6.349 -6.015 1.00 0.00 H new ATOM 0 HH TYR A 109 9.509 5.632 -8.098 1.00 0.00 H new ATOM 1660 N VAL A 110 8.826 1.085 -0.264 1.00 0.00 N ATOM 1661 CA VAL A 110 8.247 0.528 0.997 1.00 0.00 C ATOM 1662 C VAL A 110 9.203 -0.476 1.675 1.00 0.00 C ATOM 1663 O VAL A 110 9.271 -0.540 2.910 1.00 0.00 O ATOM 1664 CB VAL A 110 6.817 -0.155 0.758 1.00 0.00 C ATOM 1665 CG1 VAL A 110 6.146 0.389 -0.483 1.00 0.00 C ATOM 1666 CG2 VAL A 110 6.814 -1.693 0.673 1.00 0.00 C ATOM 0 H VAL A 110 8.790 0.440 -1.054 1.00 0.00 H new ATOM 0 HA VAL A 110 8.109 1.378 1.665 1.00 0.00 H new ATOM 0 HB VAL A 110 6.263 0.109 1.659 1.00 0.00 H new ATOM 0 HG11 VAL A 110 5.179 -0.095 -0.616 1.00 0.00 H new ATOM 0 HG12 VAL A 110 6.002 1.464 -0.377 1.00 0.00 H new ATOM 0 HG13 VAL A 110 6.773 0.191 -1.352 1.00 0.00 H new ATOM 0 HG21 VAL A 110 5.796 -2.046 0.510 1.00 0.00 H new ATOM 0 HG22 VAL A 110 7.446 -2.013 -0.155 1.00 0.00 H new ATOM 0 HG23 VAL A 110 7.198 -2.110 1.604 1.00 0.00 H new ATOM 1676 N SER A 111 9.924 -1.233 0.817 1.00 0.00 N ATOM 1677 CA SER A 111 10.689 -2.450 1.174 1.00 0.00 C ATOM 1678 C SER A 111 9.751 -3.651 1.356 1.00 0.00 C ATOM 1679 O SER A 111 8.741 -3.549 2.049 1.00 0.00 O ATOM 1680 CB SER A 111 11.560 -2.281 2.429 1.00 0.00 C ATOM 1681 OG SER A 111 12.309 -3.453 2.723 1.00 0.00 O ATOM 0 H SER A 111 9.992 -1.006 -0.175 1.00 0.00 H new ATOM 0 HA SER A 111 11.365 -2.630 0.338 1.00 0.00 H new ATOM 0 HB2 SER A 111 12.241 -1.442 2.286 1.00 0.00 H new ATOM 0 HB3 SER A 111 10.925 -2.034 3.280 1.00 0.00 H new ATOM 0 HG SER A 111 12.850 -3.303 3.526 1.00 0.00 H new ATOM 1687 N LEU A 112 10.138 -4.797 0.776 1.00 0.00 N ATOM 1688 CA LEU A 112 9.349 -6.064 0.786 1.00 0.00 C ATOM 1689 C LEU A 112 8.750 -6.420 2.176 1.00 0.00 C ATOM 1690 O LEU A 112 7.692 -7.038 2.252 1.00 0.00 O ATOM 1691 CB LEU A 112 10.255 -7.206 0.207 1.00 0.00 C ATOM 1692 CG LEU A 112 9.876 -8.702 0.495 1.00 0.00 C ATOM 1693 CD1 LEU A 112 10.256 -9.635 -0.674 1.00 0.00 C ATOM 1694 CD2 LEU A 112 10.522 -9.201 1.815 1.00 0.00 C ATOM 0 H LEU A 112 11.022 -4.883 0.275 1.00 0.00 H new ATOM 0 HA LEU A 112 8.470 -5.932 0.155 1.00 0.00 H new ATOM 0 HB2 LEU A 112 10.292 -7.079 -0.875 1.00 0.00 H new ATOM 0 HB3 LEU A 112 11.266 -7.045 0.582 1.00 0.00 H new ATOM 0 HG LEU A 112 8.792 -8.734 0.603 1.00 0.00 H new ATOM 0 HD11 LEU A 112 9.975 -10.659 -0.429 1.00 0.00 H new ATOM 0 HD12 LEU A 112 9.731 -9.321 -1.576 1.00 0.00 H new ATOM 0 HD13 LEU A 112 11.331 -9.585 -0.844 1.00 0.00 H new ATOM 0 HD21 LEU A 112 10.241 -10.240 1.987 1.00 0.00 H new ATOM 0 HD22 LEU A 112 11.607 -9.126 1.740 1.00 0.00 H new ATOM 0 HD23 LEU A 112 10.172 -8.588 2.646 1.00 0.00 H new ATOM 1706 N ALA A 113 9.415 -5.976 3.258 1.00 0.00 N ATOM 1707 CA ALA A 113 8.983 -6.238 4.651 1.00 0.00 C ATOM 1708 C ALA A 113 7.537 -5.744 4.942 1.00 0.00 C ATOM 1709 O ALA A 113 6.804 -6.415 5.670 1.00 0.00 O ATOM 1710 CB ALA A 113 9.979 -5.601 5.627 1.00 0.00 C ATOM 0 H ALA A 113 10.270 -5.423 3.195 1.00 0.00 H new ATOM 0 HA ALA A 113 8.969 -7.319 4.789 1.00 0.00 H new ATOM 0 HB1 ALA A 113 9.660 -5.795 6.651 1.00 0.00 H new ATOM 0 HB2 ALA A 113 10.969 -6.030 5.468 1.00 0.00 H new ATOM 0 HB3 ALA A 113 10.018 -4.525 5.457 1.00 0.00 H new ATOM 1716 N ASP A 114 7.132 -4.582 4.364 1.00 0.00 N ATOM 1717 CA ASP A 114 5.750 -4.057 4.528 1.00 0.00 C ATOM 1718 C ASP A 114 4.737 -4.901 3.704 1.00 0.00 C ATOM 1719 O ASP A 114 3.630 -5.213 4.179 1.00 0.00 O ATOM 1720 CB ASP A 114 5.692 -2.558 4.119 1.00 0.00 C ATOM 1721 CG ASP A 114 4.346 -1.857 4.394 1.00 0.00 C ATOM 1722 OD1 ASP A 114 3.552 -2.347 5.239 1.00 0.00 O ATOM 1723 OD2 ASP A 114 4.092 -0.796 3.786 1.00 0.00 O ATOM 0 H ASP A 114 7.736 -3.997 3.787 1.00 0.00 H new ATOM 0 HA ASP A 114 5.471 -4.136 5.579 1.00 0.00 H new ATOM 0 HB2 ASP A 114 6.478 -2.022 4.650 1.00 0.00 H new ATOM 0 HB3 ASP A 114 5.915 -2.479 3.055 1.00 0.00 H new ATOM 1728 N LEU A 115 5.146 -5.274 2.476 1.00 0.00 N ATOM 1729 CA LEU A 115 4.344 -6.126 1.569 1.00 0.00 C ATOM 1730 C LEU A 115 3.992 -7.488 2.222 1.00 0.00 C ATOM 1731 O LEU A 115 2.851 -7.941 2.167 1.00 0.00 O ATOM 1732 CB LEU A 115 5.127 -6.362 0.253 1.00 0.00 C ATOM 1733 CG LEU A 115 5.607 -5.086 -0.502 1.00 0.00 C ATOM 1734 CD1 LEU A 115 6.385 -5.439 -1.776 1.00 0.00 C ATOM 1735 CD2 LEU A 115 4.434 -4.161 -0.831 1.00 0.00 C ATOM 0 H LEU A 115 6.044 -4.994 2.082 1.00 0.00 H new ATOM 0 HA LEU A 115 3.409 -5.607 1.359 1.00 0.00 H new ATOM 0 HB2 LEU A 115 6.000 -6.975 0.479 1.00 0.00 H new ATOM 0 HB3 LEU A 115 4.497 -6.942 -0.421 1.00 0.00 H new ATOM 0 HG LEU A 115 6.284 -4.556 0.168 1.00 0.00 H new ATOM 0 HD11 LEU A 115 6.703 -4.523 -2.274 1.00 0.00 H new ATOM 0 HD12 LEU A 115 7.261 -6.032 -1.515 1.00 0.00 H new ATOM 0 HD13 LEU A 115 5.745 -6.013 -2.446 1.00 0.00 H new ATOM 0 HD21 LEU A 115 4.802 -3.280 -1.357 1.00 0.00 H new ATOM 0 HD22 LEU A 115 3.720 -4.689 -1.463 1.00 0.00 H new ATOM 0 HD23 LEU A 115 3.943 -3.853 0.092 1.00 0.00 H new ATOM 1747 N GLN A 116 5.007 -8.118 2.829 1.00 0.00 N ATOM 1748 CA GLN A 116 4.883 -9.445 3.471 1.00 0.00 C ATOM 1749 C GLN A 116 4.167 -9.374 4.831 1.00 0.00 C ATOM 1750 O GLN A 116 3.443 -10.306 5.206 1.00 0.00 O ATOM 1751 CB GLN A 116 6.282 -10.073 3.608 1.00 0.00 C ATOM 1752 CG GLN A 116 7.034 -10.159 2.255 1.00 0.00 C ATOM 1753 CD GLN A 116 7.782 -11.476 2.021 1.00 0.00 C ATOM 1754 OE1 GLN A 116 8.282 -12.095 2.953 1.00 0.00 O ATOM 1755 NE2 GLN A 116 7.873 -11.910 0.775 1.00 0.00 N ATOM 0 H GLN A 116 5.945 -7.723 2.892 1.00 0.00 H new ATOM 0 HA GLN A 116 4.262 -10.076 2.836 1.00 0.00 H new ATOM 0 HB2 GLN A 116 6.873 -9.485 4.311 1.00 0.00 H new ATOM 0 HB3 GLN A 116 6.187 -11.073 4.031 1.00 0.00 H new ATOM 0 HG2 GLN A 116 6.317 -10.015 1.447 1.00 0.00 H new ATOM 0 HG3 GLN A 116 7.747 -9.337 2.198 1.00 0.00 H new ATOM 0 HE21 GLN A 116 7.448 -11.376 0.017 1.00 0.00 H new ATOM 0 HE22 GLN A 116 8.368 -12.778 0.572 1.00 0.00 H new ATOM 1764 N ALA A 117 4.390 -8.267 5.559 1.00 0.00 N ATOM 1765 CA ALA A 117 3.668 -7.966 6.827 1.00 0.00 C ATOM 1766 C ALA A 117 2.127 -7.914 6.634 1.00 0.00 C ATOM 1767 O ALA A 117 1.364 -8.178 7.568 1.00 0.00 O ATOM 1768 CB ALA A 117 4.173 -6.636 7.418 1.00 0.00 C ATOM 0 H ALA A 117 5.070 -7.554 5.295 1.00 0.00 H new ATOM 0 HA ALA A 117 3.878 -8.780 7.520 1.00 0.00 H new ATOM 0 HB1 ALA A 117 3.640 -6.424 8.345 1.00 0.00 H new ATOM 0 HB2 ALA A 117 5.241 -6.711 7.623 1.00 0.00 H new ATOM 0 HB3 ALA A 117 3.996 -5.831 6.705 1.00 0.00 H new ATOM 1774 N HIS A 118 1.681 -7.556 5.408 1.00 0.00 N ATOM 1775 CA HIS A 118 0.240 -7.402 5.063 1.00 0.00 C ATOM 1776 C HIS A 118 -0.149 -8.238 3.827 1.00 0.00 C ATOM 1777 O HIS A 118 -1.103 -7.918 3.115 1.00 0.00 O ATOM 1778 CB HIS A 118 -0.063 -5.904 4.847 1.00 0.00 C ATOM 1779 CG HIS A 118 0.287 -5.089 6.053 1.00 0.00 C ATOM 1780 ND1 HIS A 118 1.491 -4.434 6.188 1.00 0.00 N ATOM 1781 CD2 HIS A 118 -0.355 -4.934 7.231 1.00 0.00 C ATOM 1782 CE1 HIS A 118 1.580 -3.936 7.398 1.00 0.00 C ATOM 1783 NE2 HIS A 118 0.472 -4.217 8.051 1.00 0.00 N ATOM 0 H HIS A 118 2.307 -7.364 4.626 1.00 0.00 H new ATOM 0 HA HIS A 118 -0.363 -7.780 5.888 1.00 0.00 H new ATOM 0 HB2 HIS A 118 0.498 -5.540 3.986 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -1.120 -5.776 4.616 1.00 0.00 H new ATOM 0 HD1 HIS A 118 2.202 -4.350 5.461 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -1.338 -5.307 7.479 1.00 0.00 H new ATOM 0 HE1 HIS A 118 2.422 -3.387 7.793 1.00 0.00 H new ATOM 1792 N ALA A 119 0.592 -9.326 3.597 1.00 0.00 N ATOM 1793 CA ALA A 119 0.255 -10.321 2.563 1.00 0.00 C ATOM 1794 C ALA A 119 -0.925 -11.220 3.018 1.00 0.00 C ATOM 1795 O ALA A 119 -1.189 -11.351 4.219 1.00 0.00 O ATOM 1796 CB ALA A 119 1.485 -11.181 2.252 1.00 0.00 C ATOM 0 H ALA A 119 1.441 -9.546 4.118 1.00 0.00 H new ATOM 0 HA ALA A 119 -0.053 -9.791 1.662 1.00 0.00 H new ATOM 0 HB1 ALA A 119 1.232 -11.915 1.487 1.00 0.00 H new ATOM 0 HB2 ALA A 119 2.292 -10.544 1.890 1.00 0.00 H new ATOM 0 HB3 ALA A 119 1.807 -11.696 3.157 1.00 0.00 H new ATOM 1802 N LEU A 120 -1.635 -11.826 2.049 1.00 0.00 N ATOM 1803 CA LEU A 120 -2.701 -12.816 2.337 1.00 0.00 C ATOM 1804 C LEU A 120 -2.097 -14.174 2.807 1.00 0.00 C ATOM 1805 O LEU A 120 -1.008 -14.552 2.357 1.00 0.00 O ATOM 1806 CB LEU A 120 -3.649 -12.994 1.100 1.00 0.00 C ATOM 1807 CG LEU A 120 -4.735 -11.885 0.899 1.00 0.00 C ATOM 1808 CD1 LEU A 120 -5.584 -11.718 2.177 1.00 0.00 C ATOM 1809 CD2 LEU A 120 -4.115 -10.541 0.442 1.00 0.00 C ATOM 0 H LEU A 120 -1.492 -11.650 1.055 1.00 0.00 H new ATOM 0 HA LEU A 120 -3.306 -12.434 3.159 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -3.035 -13.039 0.201 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -4.154 -13.956 1.190 1.00 0.00 H new ATOM 0 HG LEU A 120 -5.396 -12.210 0.095 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -6.333 -10.943 2.017 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -6.081 -12.660 2.410 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -4.939 -11.433 3.008 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -4.905 -9.801 0.315 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -3.408 -10.192 1.195 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -3.595 -10.684 -0.506 1.00 0.00 H new ATOM 1821 N PRO A 121 -2.798 -14.920 3.730 1.00 0.00 N ATOM 1822 CA PRO A 121 -2.286 -16.196 4.314 1.00 0.00 C ATOM 1823 C PRO A 121 -2.033 -17.287 3.236 1.00 0.00 C ATOM 1824 O PRO A 121 -2.977 -17.707 2.554 1.00 0.00 O ATOM 1825 CB PRO A 121 -3.415 -16.618 5.310 1.00 0.00 C ATOM 1826 CG PRO A 121 -4.199 -15.365 5.565 1.00 0.00 C ATOM 1827 CD PRO A 121 -4.144 -14.587 4.276 1.00 0.00 C ATOM 0 HA PRO A 121 -1.316 -16.070 4.795 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -4.046 -17.398 4.883 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -2.997 -17.016 6.234 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -5.228 -15.595 5.841 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -3.769 -14.793 6.387 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -4.940 -14.884 3.593 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -4.255 -13.516 4.448 1.00 0.00 H new ATOM 1835 N VAL A 122 -0.746 -17.708 3.093 1.00 0.00 N ATOM 1836 CA VAL A 122 -0.289 -18.704 2.085 1.00 0.00 C ATOM 1837 C VAL A 122 -0.444 -18.164 0.629 1.00 0.00 C ATOM 1838 O VAL A 122 -1.562 -18.034 0.114 1.00 0.00 O ATOM 1839 CB VAL A 122 -1.013 -20.101 2.267 1.00 0.00 C ATOM 1840 CG1 VAL A 122 -0.627 -21.115 1.161 1.00 0.00 C ATOM 1841 CG2 VAL A 122 -0.736 -20.686 3.682 1.00 0.00 C ATOM 0 H VAL A 122 0.011 -17.361 3.682 1.00 0.00 H new ATOM 0 HA VAL A 122 0.775 -18.868 2.259 1.00 0.00 H new ATOM 0 HB VAL A 122 -2.084 -19.921 2.169 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -1.150 -22.056 1.332 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -0.908 -20.715 0.187 1.00 0.00 H new ATOM 0 HG13 VAL A 122 0.449 -21.288 1.186 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -1.243 -21.645 3.785 1.00 0.00 H new ATOM 0 HG22 VAL A 122 0.337 -20.826 3.814 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -1.108 -19.996 4.440 1.00 0.00 H new ATOM 1851 N LEU A 123 0.695 -17.828 -0.017 1.00 0.00 N ATOM 1852 CA LEU A 123 0.718 -17.348 -1.424 1.00 0.00 C ATOM 1853 C LEU A 123 0.417 -18.504 -2.401 1.00 0.00 C ATOM 1854 O LEU A 123 -0.536 -18.445 -3.193 1.00 0.00 O ATOM 1855 CB LEU A 123 2.083 -16.689 -1.754 1.00 0.00 C ATOM 1856 CG LEU A 123 2.203 -16.036 -3.174 1.00 0.00 C ATOM 1857 CD1 LEU A 123 1.170 -14.906 -3.380 1.00 0.00 C ATOM 1858 CD2 LEU A 123 3.632 -15.526 -3.424 1.00 0.00 C ATOM 0 H LEU A 123 1.618 -17.880 0.414 1.00 0.00 H new ATOM 0 HA LEU A 123 -0.061 -16.595 -1.541 1.00 0.00 H new ATOM 0 HB2 LEU A 123 2.285 -15.923 -1.005 1.00 0.00 H new ATOM 0 HB3 LEU A 123 2.862 -17.445 -1.656 1.00 0.00 H new ATOM 0 HG LEU A 123 1.982 -16.812 -3.906 1.00 0.00 H new ATOM 0 HD11 LEU A 123 1.289 -14.482 -4.377 1.00 0.00 H new ATOM 0 HD12 LEU A 123 0.163 -15.310 -3.275 1.00 0.00 H new ATOM 0 HD13 LEU A 123 1.328 -14.128 -2.633 1.00 0.00 H new ATOM 0 HD21 LEU A 123 3.690 -15.077 -4.416 1.00 0.00 H new ATOM 0 HD22 LEU A 123 3.889 -14.779 -2.672 1.00 0.00 H new ATOM 0 HD23 LEU A 123 4.332 -16.359 -3.361 1.00 0.00 H new ATOM 1870 N GLU A 124 1.219 -19.566 -2.289 1.00 0.00 N ATOM 1871 CA GLU A 124 1.128 -20.767 -3.144 1.00 0.00 C ATOM 1872 C GLU A 124 1.083 -22.045 -2.273 1.00 0.00 C ATOM 1873 O GLU A 124 1.726 -22.113 -1.210 1.00 0.00 O ATOM 1874 CB GLU A 124 2.326 -20.814 -4.152 1.00 0.00 C ATOM 1875 CG GLU A 124 3.736 -21.057 -3.544 1.00 0.00 C ATOM 1876 CD GLU A 124 4.245 -19.925 -2.621 1.00 0.00 C ATOM 1877 OE1 GLU A 124 4.711 -18.887 -3.134 1.00 0.00 O ATOM 1878 OE2 GLU A 124 4.197 -20.073 -1.377 1.00 0.00 O ATOM 0 H GLU A 124 1.963 -19.623 -1.594 1.00 0.00 H new ATOM 0 HA GLU A 124 0.205 -20.717 -3.721 1.00 0.00 H new ATOM 0 HB2 GLU A 124 2.128 -21.601 -4.880 1.00 0.00 H new ATOM 0 HB3 GLU A 124 2.348 -19.872 -4.699 1.00 0.00 H new ATOM 0 HG2 GLU A 124 3.717 -21.988 -2.978 1.00 0.00 H new ATOM 0 HG3 GLU A 124 4.449 -21.193 -4.357 1.00 0.00 H new ATOM 1885 N HIS A 125 0.307 -23.049 -2.727 1.00 0.00 N ATOM 1886 CA HIS A 125 0.184 -24.353 -2.037 1.00 0.00 C ATOM 1887 C HIS A 125 1.483 -25.192 -2.215 1.00 0.00 C ATOM 1888 O HIS A 125 1.658 -25.911 -3.208 1.00 0.00 O ATOM 1889 CB HIS A 125 -1.094 -25.117 -2.511 1.00 0.00 C ATOM 1890 CG HIS A 125 -1.188 -25.386 -3.997 1.00 0.00 C ATOM 1891 ND1 HIS A 125 -0.943 -26.627 -4.557 1.00 0.00 N ATOM 1892 CD2 HIS A 125 -1.518 -24.576 -5.036 1.00 0.00 C ATOM 1893 CE1 HIS A 125 -1.118 -26.565 -5.859 1.00 0.00 C ATOM 1894 NE2 HIS A 125 -1.465 -25.337 -6.180 1.00 0.00 N ATOM 0 H HIS A 125 -0.251 -22.982 -3.578 1.00 0.00 H new ATOM 0 HA HIS A 125 0.063 -24.175 -0.968 1.00 0.00 H new ATOM 0 HB2 HIS A 125 -1.140 -26.070 -1.985 1.00 0.00 H new ATOM 0 HB3 HIS A 125 -1.970 -24.543 -2.209 1.00 0.00 H new ATOM 0 HD2 HIS A 125 -1.774 -23.529 -4.975 1.00 0.00 H new ATOM 0 HE1 HIS A 125 -0.997 -27.386 -6.550 1.00 0.00 H new ATOM 0 HE2 HIS A 125 -1.662 -25.004 -7.124 1.00 0.00 H new ATOM 1903 N HIS A 126 2.420 -25.034 -1.255 1.00 0.00 N ATOM 1904 CA HIS A 126 3.717 -25.740 -1.268 1.00 0.00 C ATOM 1905 C HIS A 126 3.563 -27.264 -1.034 1.00 0.00 C ATOM 1906 O HIS A 126 2.795 -27.709 -0.173 1.00 0.00 O ATOM 1907 CB HIS A 126 4.712 -25.107 -0.249 1.00 0.00 C ATOM 1908 CG HIS A 126 5.505 -23.936 -0.787 1.00 0.00 C ATOM 1909 ND1 HIS A 126 5.858 -23.824 -2.113 1.00 0.00 N ATOM 1910 CD2 HIS A 126 6.057 -22.864 -0.168 1.00 0.00 C ATOM 1911 CE1 HIS A 126 6.603 -22.759 -2.287 1.00 0.00 C ATOM 1912 NE2 HIS A 126 6.737 -22.152 -1.130 1.00 0.00 N ATOM 0 H HIS A 126 2.298 -24.416 -0.453 1.00 0.00 H new ATOM 0 HA HIS A 126 4.134 -25.618 -2.268 1.00 0.00 H new ATOM 0 HB2 HIS A 126 4.154 -24.779 0.628 1.00 0.00 H new ATOM 0 HB3 HIS A 126 5.407 -25.877 0.086 1.00 0.00 H new ATOM 0 HD1 HIS A 126 5.581 -24.473 -2.850 1.00 0.00 H new ATOM 0 HD2 HIS A 126 5.978 -22.616 0.880 1.00 0.00 H new ATOM 0 HE1 HIS A 126 7.034 -22.436 -3.223 1.00 0.00 H new ATOM 1921 N HIS A 127 4.336 -28.033 -1.816 1.00 0.00 N ATOM 1922 CA HIS A 127 4.233 -29.500 -1.915 1.00 0.00 C ATOM 1923 C HIS A 127 5.619 -30.087 -2.292 1.00 0.00 C ATOM 1924 O HIS A 127 6.295 -29.555 -3.178 1.00 0.00 O ATOM 1925 CB HIS A 127 3.161 -29.868 -2.983 1.00 0.00 C ATOM 1926 CG HIS A 127 3.475 -29.354 -4.375 1.00 0.00 C ATOM 1927 ND1 HIS A 127 3.775 -30.181 -5.433 1.00 0.00 N ATOM 1928 CD2 HIS A 127 3.578 -28.090 -4.860 1.00 0.00 C ATOM 1929 CE1 HIS A 127 4.058 -29.455 -6.496 1.00 0.00 C ATOM 1930 NE2 HIS A 127 3.945 -28.187 -6.177 1.00 0.00 N ATOM 0 H HIS A 127 5.067 -27.645 -2.411 1.00 0.00 H new ATOM 0 HA HIS A 127 3.928 -29.923 -0.958 1.00 0.00 H new ATOM 0 HB2 HIS A 127 3.059 -30.953 -3.022 1.00 0.00 H new ATOM 0 HB3 HIS A 127 2.197 -29.468 -2.668 1.00 0.00 H new ATOM 0 HD2 HIS A 127 3.403 -27.177 -4.310 1.00 0.00 H new ATOM 0 HE1 HIS A 127 4.336 -29.839 -7.466 1.00 0.00 H new ATOM 0 HE2 HIS A 127 4.104 -27.401 -6.807 1.00 0.00 H new ATOM 1939 N HIS A 128 6.035 -31.170 -1.603 1.00 0.00 N ATOM 1940 CA HIS A 128 7.366 -31.815 -1.801 1.00 0.00 C ATOM 1941 C HIS A 128 8.520 -30.790 -1.530 1.00 0.00 C ATOM 1942 O HIS A 128 9.534 -30.753 -2.235 1.00 0.00 O ATOM 1943 CB HIS A 128 7.451 -32.463 -3.223 1.00 0.00 C ATOM 1944 CG HIS A 128 8.518 -33.519 -3.381 1.00 0.00 C ATOM 1945 ND1 HIS A 128 8.310 -34.839 -3.048 1.00 0.00 N ATOM 1946 CD2 HIS A 128 9.795 -33.453 -3.842 1.00 0.00 C ATOM 1947 CE1 HIS A 128 9.399 -35.533 -3.296 1.00 0.00 C ATOM 1948 NE2 HIS A 128 10.316 -34.720 -3.776 1.00 0.00 N ATOM 0 H HIS A 128 5.464 -31.628 -0.892 1.00 0.00 H new ATOM 0 HA HIS A 128 7.487 -32.621 -1.078 1.00 0.00 H new ATOM 0 HB2 HIS A 128 6.484 -32.906 -3.462 1.00 0.00 H new ATOM 0 HB3 HIS A 128 7.630 -31.675 -3.955 1.00 0.00 H new ATOM 0 HD2 HIS A 128 10.304 -32.568 -4.194 1.00 0.00 H new ATOM 0 HE1 HIS A 128 9.521 -36.594 -3.133 1.00 0.00 H new ATOM 0 HE2 HIS A 128 11.260 -34.988 -4.054 1.00 0.00 H new ATOM 1957 N HIS A 129 8.304 -29.946 -0.488 1.00 0.00 N ATOM 1958 CA HIS A 129 9.241 -28.879 -0.029 1.00 0.00 C ATOM 1959 C HIS A 129 9.360 -27.684 -1.028 1.00 0.00 C ATOM 1960 O HIS A 129 10.178 -26.781 -0.811 1.00 0.00 O ATOM 1961 CB HIS A 129 10.651 -29.459 0.331 1.00 0.00 C ATOM 1962 CG HIS A 129 10.654 -30.419 1.499 1.00 0.00 C ATOM 1963 ND1 HIS A 129 11.447 -30.251 2.614 1.00 0.00 N ATOM 1964 CD2 HIS A 129 9.975 -31.574 1.707 1.00 0.00 C ATOM 1965 CE1 HIS A 129 11.255 -31.253 3.445 1.00 0.00 C ATOM 1966 NE2 HIS A 129 10.367 -32.066 2.920 1.00 0.00 N ATOM 0 H HIS A 129 7.453 -29.987 0.072 1.00 0.00 H new ATOM 0 HA HIS A 129 8.799 -28.473 0.881 1.00 0.00 H new ATOM 0 HB2 HIS A 129 11.054 -29.969 -0.544 1.00 0.00 H new ATOM 0 HB3 HIS A 129 11.324 -28.631 0.555 1.00 0.00 H new ATOM 0 HD2 HIS A 129 9.256 -32.023 1.037 1.00 0.00 H new ATOM 0 HE1 HIS A 129 11.745 -31.385 4.398 1.00 0.00 H new ATOM 0 HE2 HIS A 129 10.025 -32.926 3.349 1.00 0.00 H new ATOM 1975 N HIS A 130 8.540 -27.686 -2.114 1.00 0.00 N ATOM 1976 CA HIS A 130 8.476 -26.580 -3.118 1.00 0.00 C ATOM 1977 C HIS A 130 7.200 -26.718 -4.029 1.00 0.00 C ATOM 1978 O HIS A 130 7.279 -27.281 -5.139 1.00 0.00 O ATOM 1979 CB HIS A 130 9.816 -26.481 -3.947 1.00 0.00 C ATOM 1980 CG HIS A 130 10.426 -27.800 -4.353 1.00 0.00 C ATOM 1981 ND1 HIS A 130 11.423 -28.421 -3.627 1.00 0.00 N ATOM 1982 CD2 HIS A 130 10.192 -28.610 -5.410 1.00 0.00 C ATOM 1983 CE1 HIS A 130 11.771 -29.541 -4.218 1.00 0.00 C ATOM 1984 NE2 HIS A 130 11.044 -29.681 -5.300 1.00 0.00 N ATOM 1985 OXT HIS A 130 6.114 -26.280 -3.604 1.00 0.00 O ATOM 0 H HIS A 130 7.902 -28.455 -2.321 1.00 0.00 H new ATOM 0 HA HIS A 130 8.376 -25.635 -2.584 1.00 0.00 H new ATOM 0 HB2 HIS A 130 9.624 -25.897 -4.847 1.00 0.00 H new ATOM 0 HB3 HIS A 130 10.548 -25.928 -3.358 1.00 0.00 H new ATOM 0 HD2 HIS A 130 9.469 -28.445 -6.195 1.00 0.00 H new ATOM 0 HE1 HIS A 130 12.527 -30.230 -3.872 1.00 0.00 H new ATOM 0 HE2 HIS A 130 11.102 -30.461 -5.955 1.00 0.00 H new TER 1994 HIS A 130