USER MOD reduce.3.24.130724 H: found=0, std=0, add=707, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 707 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 77 SER OG : rot 117:sc= 0.691 USER MOD Set 1.2: A 81 HIS : no HD1:sc= -0.268 K(o=0.42,f=-4.8!) USER MOD Set 2.1: A 11 THR OG1 : rot 42:sc= 1.08 USER MOD Set 2.2: A 37 TYR OH : rot 130:sc= 0.929 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -166:sc= -0.0107 (180deg=-0.224) USER MOD Single : A 3 HIS : no HD1:sc=-0.00221 X(o=-0.0022,f=-0.0022) USER MOD Single : A 4 HIS : no HD1:sc= -0.166 X(o=-0.17,f=-0.024) USER MOD Single : A 5 HIS : no HD1:sc= -0.0524 X(o=-0.052,f=0.00099) USER MOD Single : A 6 HIS : no HD1:sc= -1.25 K(o=-1.3,f=-0.61) USER MOD Single : A 7 HIS : no HD1:sc=-0.00534 K(o=-0.0053,f=-0.52) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 MET CE :methyl -162:sc= -0.0922 (180deg=-0.717) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 THR OG1 : rot 54:sc= 0.097 USER MOD Single : A 17 GLN : amide:sc= -0.475 X(o=-0.47,f=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 MET CE :methyl -162:sc= -0.117 (180deg=-0.58) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -2.88! K(o=-2.9!,f=-0.28) USER MOD Single : A 33 ASN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 MET CE :methyl 139:sc= 0 (180deg=-0.633) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.00287 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.0158 USER MOD Single : A 59 LYS NZ :NH3+ -173:sc= -0.243 (180deg=-0.404) USER MOD Single : A 60 GLN : amide:sc= -0.707 K(o=-0.71,f=0) USER MOD Single : A 61 GLN : amide:sc= -0.151 X(o=-0.15,f=-0.43) USER MOD Single : A 62 CYS SG : rot 90:sc= -3.77! USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 GLN : amide:sc= 0.278 K(o=0.28,f=-0.3) USER MOD Single : A 71 THR OG1 : rot 153:sc= 0.259 USER MOD Single : A 73 MET CE :methyl -165:sc= -0.0713 (180deg=-0.371) USER MOD Single : A 83 ASN : amide:sc= -0.201 X(o=-0.2,f=-0.092) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 HIS : no HE2:sc= 0.329 K(o=0.33,f=-1.8!) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.592 -10.433 -10.106 1.00 73.22 N ATOM 2 CA MET A 1 -2.132 -10.275 -10.300 1.00 15.13 C ATOM 3 C MET A 1 -1.464 -11.642 -10.445 1.00 45.32 C ATOM 4 O MET A 1 -0.922 -12.188 -9.481 1.00 32.32 O ATOM 5 CB MET A 1 -1.506 -9.504 -9.124 1.00 22.50 C ATOM 6 CG MET A 1 -2.019 -8.076 -8.970 1.00 70.23 C ATOM 7 SD MET A 1 -1.375 -7.262 -7.490 1.00 24.24 S ATOM 8 CE MET A 1 -2.072 -5.618 -7.664 1.00 64.32 C ATOM 0 H1 MET A 1 -4.062 -9.516 -10.245 1.00 73.22 H new ATOM 0 H2 MET A 1 -3.961 -11.119 -10.794 1.00 73.22 H new ATOM 0 H3 MET A 1 -3.779 -10.775 -9.142 1.00 73.22 H new ATOM 0 HA MET A 1 -1.970 -9.704 -11.214 1.00 15.13 H new ATOM 0 HB2 MET A 1 -1.701 -10.050 -8.201 1.00 22.50 H new ATOM 0 HB3 MET A 1 -0.424 -9.477 -9.256 1.00 22.50 H new ATOM 0 HG2 MET A 1 -1.739 -7.496 -9.850 1.00 70.23 H new ATOM 0 HG3 MET A 1 -3.108 -8.088 -8.929 1.00 70.23 H new ATOM 0 HE1 MET A 1 -1.761 -5.000 -6.822 1.00 64.32 H new ATOM 0 HE2 MET A 1 -1.719 -5.170 -8.593 1.00 64.32 H new ATOM 0 HE3 MET A 1 -3.160 -5.684 -7.683 1.00 64.32 H new ATOM 20 N ALA A 2 -1.539 -12.199 -11.652 1.00 54.21 N ATOM 21 CA ALA A 2 -0.952 -13.499 -11.965 1.00 14.23 C ATOM 22 C ALA A 2 -1.169 -13.820 -13.439 1.00 44.12 C ATOM 23 O ALA A 2 -1.777 -13.030 -14.166 1.00 53.24 O ATOM 24 CB ALA A 2 -1.558 -14.599 -11.091 1.00 73.44 C ATOM 0 H ALA A 2 -2.010 -11.759 -12.443 1.00 54.21 H new ATOM 0 HA ALA A 2 0.117 -13.454 -11.759 1.00 14.23 H new ATOM 0 HB1 ALA A 2 -1.104 -15.557 -11.344 1.00 73.44 H new ATOM 0 HB2 ALA A 2 -1.370 -14.375 -10.041 1.00 73.44 H new ATOM 0 HB3 ALA A 2 -2.633 -14.650 -11.264 1.00 73.44 H new ATOM 30 N HIS A 3 -0.673 -14.970 -13.877 1.00 41.44 N ATOM 31 CA HIS A 3 -0.889 -15.429 -15.248 1.00 1.43 C ATOM 32 C HIS A 3 -1.804 -16.655 -15.217 1.00 4.31 C ATOM 33 O HIS A 3 -1.620 -17.621 -15.963 1.00 2.31 O ATOM 34 CB HIS A 3 0.452 -15.750 -15.928 1.00 5.12 C ATOM 35 CG HIS A 3 0.374 -15.767 -17.427 1.00 63.14 C ATOM 36 ND1 HIS A 3 0.587 -16.897 -18.187 1.00 24.54 N ATOM 37 CD2 HIS A 3 0.122 -14.769 -18.309 1.00 72.24 C ATOM 38 CE1 HIS A 3 0.474 -16.592 -19.467 1.00 45.21 C ATOM 39 NE2 HIS A 3 0.191 -15.308 -19.567 1.00 10.03 N ATOM 0 H HIS A 3 -0.117 -15.605 -13.304 1.00 41.44 H new ATOM 0 HA HIS A 3 -1.366 -14.642 -15.831 1.00 1.43 H new ATOM 0 HB2 HIS A 3 1.193 -15.013 -15.619 1.00 5.12 H new ATOM 0 HB3 HIS A 3 0.804 -16.721 -15.579 1.00 5.12 H new ATOM 0 HD2 HIS A 3 -0.093 -13.739 -18.065 1.00 72.24 H new ATOM 0 HE1 HIS A 3 0.593 -17.278 -20.292 1.00 45.21 H new ATOM 0 HE2 HIS A 3 0.047 -14.799 -20.439 1.00 10.03 H new ATOM 48 N HIS A 4 -2.799 -16.577 -14.334 1.00 40.34 N ATOM 49 CA HIS A 4 -3.771 -17.645 -14.110 1.00 51.01 C ATOM 50 C HIS A 4 -3.083 -18.938 -13.649 1.00 53.23 C ATOM 51 O HIS A 4 -2.626 -19.013 -12.507 1.00 0.34 O ATOM 52 CB HIS A 4 -4.642 -17.881 -15.360 1.00 50.20 C ATOM 53 CG HIS A 4 -5.857 -18.739 -15.118 1.00 33.32 C ATOM 54 ND1 HIS A 4 -6.770 -19.040 -16.104 1.00 30.31 N ATOM 55 CD2 HIS A 4 -6.308 -19.353 -13.996 1.00 2.31 C ATOM 56 CE1 HIS A 4 -7.725 -19.799 -15.603 1.00 13.25 C ATOM 57 NE2 HIS A 4 -7.469 -20.006 -14.325 1.00 22.43 N ATOM 0 H HIS A 4 -2.954 -15.758 -13.746 1.00 40.34 H new ATOM 0 HA HIS A 4 -4.435 -17.325 -13.307 1.00 51.01 H new ATOM 0 HB2 HIS A 4 -4.965 -16.916 -15.750 1.00 50.20 H new ATOM 0 HB3 HIS A 4 -4.030 -18.348 -16.132 1.00 50.20 H new ATOM 0 HD2 HIS A 4 -5.840 -19.332 -13.023 1.00 2.31 H new ATOM 0 HE1 HIS A 4 -8.574 -20.186 -16.147 1.00 13.25 H new ATOM 0 HE2 HIS A 4 -8.040 -20.560 -13.687 1.00 22.43 H new ATOM 66 N HIS A 5 -2.976 -19.929 -14.545 1.00 52.40 N ATOM 67 CA HIS A 5 -2.479 -21.266 -14.194 1.00 51.23 C ATOM 68 C HIS A 5 -3.067 -21.764 -12.869 1.00 25.42 C ATOM 69 O HIS A 5 -4.139 -22.374 -12.852 1.00 52.12 O ATOM 70 CB HIS A 5 -0.942 -21.304 -14.164 1.00 11.32 C ATOM 71 CG HIS A 5 -0.327 -21.416 -15.522 1.00 24.41 C ATOM 72 ND1 HIS A 5 0.043 -22.620 -16.079 1.00 1.43 N ATOM 73 CD2 HIS A 5 -0.026 -20.472 -16.441 1.00 64.02 C ATOM 74 CE1 HIS A 5 0.545 -22.412 -17.277 1.00 33.02 C ATOM 75 NE2 HIS A 5 0.513 -21.116 -17.525 1.00 22.00 N ATOM 0 H HIS A 5 -3.230 -19.827 -15.528 1.00 52.40 H new ATOM 0 HA HIS A 5 -2.816 -21.946 -14.976 1.00 51.23 H new ATOM 0 HB2 HIS A 5 -0.572 -20.401 -13.679 1.00 11.32 H new ATOM 0 HB3 HIS A 5 -0.618 -22.148 -13.555 1.00 11.32 H new ATOM 0 HD2 HIS A 5 -0.181 -19.408 -16.340 1.00 64.02 H new ATOM 0 HE1 HIS A 5 0.920 -23.173 -17.945 1.00 33.02 H new ATOM 0 HE2 HIS A 5 0.836 -20.667 -18.382 1.00 22.00 H new ATOM 84 N HIS A 6 -2.372 -21.483 -11.763 1.00 34.21 N ATOM 85 CA HIS A 6 -2.835 -21.874 -10.433 1.00 74.21 C ATOM 86 C HIS A 6 -1.941 -21.248 -9.358 1.00 71.31 C ATOM 87 O HIS A 6 -0.944 -21.835 -8.930 1.00 5.52 O ATOM 88 CB HIS A 6 -2.898 -23.413 -10.280 1.00 64.32 C ATOM 89 CG HIS A 6 -1.568 -24.117 -10.372 1.00 13.35 C ATOM 90 ND1 HIS A 6 -1.114 -24.998 -9.411 1.00 0.10 N ATOM 91 CD2 HIS A 6 -0.606 -24.080 -11.324 1.00 40.24 C ATOM 92 CE1 HIS A 6 0.067 -25.466 -9.770 1.00 55.12 C ATOM 93 NE2 HIS A 6 0.398 -24.926 -10.925 1.00 52.24 N ATOM 0 H HIS A 6 -1.483 -20.984 -11.765 1.00 34.21 H new ATOM 0 HA HIS A 6 -3.850 -21.498 -10.304 1.00 74.21 H new ATOM 0 HB2 HIS A 6 -3.351 -23.649 -9.317 1.00 64.32 H new ATOM 0 HB3 HIS A 6 -3.558 -23.813 -11.050 1.00 64.32 H new ATOM 0 HD2 HIS A 6 -0.625 -23.493 -12.230 1.00 40.24 H new ATOM 0 HE1 HIS A 6 0.662 -26.173 -9.211 1.00 55.12 H new ATOM 0 HE2 HIS A 6 1.260 -25.107 -11.439 1.00 52.24 H new ATOM 102 N HIS A 7 -2.287 -20.027 -8.961 1.00 31.13 N ATOM 103 CA HIS A 7 -1.548 -19.310 -7.924 1.00 13.43 C ATOM 104 C HIS A 7 -1.796 -19.953 -6.561 1.00 13.23 C ATOM 105 O HIS A 7 -2.945 -20.180 -6.185 1.00 24.42 O ATOM 106 CB HIS A 7 -1.970 -17.834 -7.883 1.00 45.10 C ATOM 107 CG HIS A 7 -1.275 -17.037 -6.815 1.00 22.34 C ATOM 108 ND1 HIS A 7 -1.745 -16.932 -5.519 1.00 12.53 N ATOM 109 CD2 HIS A 7 -0.141 -16.298 -6.860 1.00 21.41 C ATOM 110 CE1 HIS A 7 -0.929 -16.164 -4.817 1.00 22.12 C ATOM 111 NE2 HIS A 7 0.050 -15.768 -5.607 1.00 52.52 N ATOM 0 H HIS A 7 -3.079 -19.510 -9.344 1.00 31.13 H new ATOM 0 HA HIS A 7 -0.485 -19.366 -8.160 1.00 13.43 H new ATOM 0 HB2 HIS A 7 -1.767 -17.380 -8.853 1.00 45.10 H new ATOM 0 HB3 HIS A 7 -3.047 -17.777 -7.724 1.00 45.10 H new ATOM 0 HD2 HIS A 7 0.495 -16.152 -7.721 1.00 21.41 H new ATOM 0 HE1 HIS A 7 -1.044 -15.905 -3.775 1.00 22.12 H new ATOM 0 HE2 HIS A 7 0.825 -15.165 -5.332 1.00 52.52 H new ATOM 120 N HIS A 8 -0.721 -20.239 -5.831 1.00 52.21 N ATOM 121 CA HIS A 8 -0.826 -20.840 -4.502 1.00 10.20 C ATOM 122 C HIS A 8 -1.687 -19.975 -3.580 1.00 44.12 C ATOM 123 O HIS A 8 -1.289 -18.874 -3.195 1.00 2.14 O ATOM 124 CB HIS A 8 0.567 -21.039 -3.886 1.00 2.10 C ATOM 125 CG HIS A 8 0.535 -21.592 -2.486 1.00 65.54 C ATOM 126 ND1 HIS A 8 0.382 -22.934 -2.203 1.00 13.43 N ATOM 127 CD2 HIS A 8 0.622 -20.967 -1.286 1.00 64.25 C ATOM 128 CE1 HIS A 8 0.372 -23.107 -0.891 1.00 71.44 C ATOM 129 NE2 HIS A 8 0.518 -21.929 -0.315 1.00 64.15 N ATOM 0 H HIS A 8 0.236 -20.064 -6.138 1.00 52.21 H new ATOM 0 HA HIS A 8 -1.304 -21.814 -4.611 1.00 10.20 H new ATOM 0 HB2 HIS A 8 1.142 -21.713 -4.521 1.00 2.10 H new ATOM 0 HB3 HIS A 8 1.091 -20.083 -3.878 1.00 2.10 H new ATOM 0 HD2 HIS A 8 0.750 -19.907 -1.125 1.00 64.25 H new ATOM 0 HE1 HIS A 8 0.263 -24.052 -0.379 1.00 71.44 H new ATOM 0 HE2 HIS A 8 0.549 -21.761 0.691 1.00 64.15 H new ATOM 138 N MET A 9 -2.869 -20.482 -3.253 1.00 12.25 N ATOM 139 CA MET A 9 -3.795 -19.817 -2.345 1.00 2.23 C ATOM 140 C MET A 9 -4.959 -20.761 -2.061 1.00 52.43 C ATOM 141 O MET A 9 -5.682 -21.157 -2.977 1.00 54.21 O ATOM 142 CB MET A 9 -4.295 -18.489 -2.948 1.00 51.52 C ATOM 143 CG MET A 9 -5.010 -17.575 -1.953 1.00 71.54 C ATOM 144 SD MET A 9 -6.611 -18.209 -1.415 1.00 31.53 S ATOM 145 CE MET A 9 -7.543 -18.153 -2.946 1.00 44.51 C ATOM 0 H MET A 9 -3.214 -21.372 -3.613 1.00 12.25 H new ATOM 0 HA MET A 9 -3.286 -19.576 -1.412 1.00 2.23 H new ATOM 0 HB2 MET A 9 -3.445 -17.953 -3.370 1.00 51.52 H new ATOM 0 HB3 MET A 9 -4.973 -18.710 -3.772 1.00 51.52 H new ATOM 0 HG2 MET A 9 -4.373 -17.432 -1.080 1.00 71.54 H new ATOM 0 HG3 MET A 9 -5.151 -16.595 -2.409 1.00 71.54 H new ATOM 0 HE1 MET A 9 -8.609 -18.202 -2.725 1.00 44.51 H new ATOM 0 HE2 MET A 9 -7.324 -17.223 -3.471 1.00 44.51 H new ATOM 0 HE3 MET A 9 -7.263 -18.999 -3.574 1.00 44.51 H new ATOM 155 N GLY A 10 -5.115 -21.137 -0.798 1.00 33.52 N ATOM 156 CA GLY A 10 -6.117 -22.115 -0.420 1.00 73.32 C ATOM 157 C GLY A 10 -7.534 -21.598 -0.562 1.00 21.22 C ATOM 158 O GLY A 10 -8.153 -21.190 0.422 1.00 31.32 O ATOM 0 H GLY A 10 -4.559 -20.778 -0.022 1.00 33.52 H new ATOM 0 HA2 GLY A 10 -5.998 -23.006 -1.037 1.00 73.32 H new ATOM 0 HA3 GLY A 10 -5.949 -22.418 0.613 1.00 73.32 H new ATOM 162 N THR A 11 -8.051 -21.610 -1.789 1.00 23.20 N ATOM 163 CA THR A 11 -9.427 -21.206 -2.050 1.00 64.11 C ATOM 164 C THR A 11 -10.393 -22.082 -1.249 1.00 2.14 C ATOM 165 O THR A 11 -11.446 -21.621 -0.801 1.00 24.42 O ATOM 166 CB THR A 11 -9.769 -21.270 -3.564 1.00 61.21 C ATOM 167 OG1 THR A 11 -11.104 -20.798 -3.797 1.00 21.55 O ATOM 168 CG2 THR A 11 -9.628 -22.688 -4.116 1.00 2.40 C ATOM 0 H THR A 11 -7.534 -21.897 -2.620 1.00 23.20 H new ATOM 0 HA THR A 11 -9.535 -20.169 -1.733 1.00 64.11 H new ATOM 0 HB THR A 11 -9.058 -20.628 -4.083 1.00 61.21 H new ATOM 0 HG1 THR A 11 -11.269 -20.001 -3.251 1.00 21.55 H new ATOM 0 HG21 THR A 11 -9.876 -22.692 -5.177 1.00 2.40 H new ATOM 0 HG22 THR A 11 -8.602 -23.030 -3.982 1.00 2.40 H new ATOM 0 HG23 THR A 11 -10.306 -23.355 -3.583 1.00 2.40 H new ATOM 176 N LEU A 12 -10.007 -23.341 -1.042 1.00 10.11 N ATOM 177 CA LEU A 12 -10.781 -24.270 -0.227 1.00 62.34 C ATOM 178 C LEU A 12 -10.020 -24.586 1.061 1.00 50.51 C ATOM 179 O LEU A 12 -10.246 -23.960 2.098 1.00 4.12 O ATOM 180 CB LEU A 12 -11.080 -25.561 -1.008 1.00 73.43 C ATOM 181 CG LEU A 12 -11.890 -25.380 -2.304 1.00 43.20 C ATOM 182 CD1 LEU A 12 -12.048 -26.712 -3.038 1.00 34.05 C ATOM 183 CD2 LEU A 12 -13.254 -24.762 -2.002 1.00 2.42 C ATOM 0 H LEU A 12 -9.154 -23.741 -1.433 1.00 10.11 H new ATOM 0 HA LEU A 12 -11.732 -23.804 0.029 1.00 62.34 H new ATOM 0 HB2 LEU A 12 -10.134 -26.042 -1.256 1.00 73.43 H new ATOM 0 HB3 LEU A 12 -11.623 -26.243 -0.354 1.00 73.43 H new ATOM 0 HG LEU A 12 -11.343 -24.699 -2.956 1.00 43.20 H new ATOM 0 HD11 LEU A 12 -12.624 -26.558 -3.951 1.00 34.05 H new ATOM 0 HD12 LEU A 12 -11.064 -27.107 -3.292 1.00 34.05 H new ATOM 0 HD13 LEU A 12 -12.569 -27.422 -2.395 1.00 34.05 H new ATOM 0 HD21 LEU A 12 -13.812 -24.642 -2.930 1.00 2.42 H new ATOM 0 HD22 LEU A 12 -13.808 -25.415 -1.327 1.00 2.42 H new ATOM 0 HD23 LEU A 12 -13.116 -23.788 -1.533 1.00 2.42 H new ATOM 195 N GLU A 13 -9.080 -25.517 0.976 1.00 11.24 N ATOM 196 CA GLU A 13 -8.302 -25.957 2.132 1.00 2.42 C ATOM 197 C GLU A 13 -6.823 -26.033 1.763 1.00 25.54 C ATOM 198 O GLU A 13 -6.485 -26.380 0.625 1.00 43.43 O ATOM 199 CB GLU A 13 -8.798 -27.329 2.613 1.00 52.23 C ATOM 200 CG GLU A 13 -10.239 -27.318 3.114 1.00 2.02 C ATOM 201 CD GLU A 13 -10.759 -28.703 3.467 1.00 23.10 C ATOM 202 OE1 GLU A 13 -10.321 -29.270 4.491 1.00 31.04 O ATOM 203 OE2 GLU A 13 -11.609 -29.236 2.720 1.00 20.54 O ATOM 0 H GLU A 13 -8.833 -25.990 0.106 1.00 11.24 H new ATOM 0 HA GLU A 13 -8.430 -25.237 2.940 1.00 2.42 H new ATOM 0 HB2 GLU A 13 -8.712 -28.044 1.795 1.00 52.23 H new ATOM 0 HB3 GLU A 13 -8.147 -27.681 3.413 1.00 52.23 H new ATOM 0 HG2 GLU A 13 -10.307 -26.676 3.992 1.00 2.02 H new ATOM 0 HG3 GLU A 13 -10.880 -26.880 2.349 1.00 2.02 H new ATOM 210 N ALA A 14 -5.949 -25.704 2.722 1.00 34.40 N ATOM 211 CA ALA A 14 -4.502 -25.700 2.499 1.00 21.23 C ATOM 212 C ALA A 14 -3.746 -25.271 3.760 1.00 55.24 C ATOM 213 O ALA A 14 -3.916 -24.150 4.239 1.00 61.00 O ATOM 214 CB ALA A 14 -4.137 -24.769 1.344 1.00 34.11 C ATOM 0 H ALA A 14 -6.224 -25.435 3.667 1.00 34.40 H new ATOM 0 HA ALA A 14 -4.208 -26.719 2.247 1.00 21.23 H new ATOM 0 HB1 ALA A 14 -3.057 -24.780 1.195 1.00 34.11 H new ATOM 0 HB2 ALA A 14 -4.633 -25.107 0.434 1.00 34.11 H new ATOM 0 HB3 ALA A 14 -4.460 -23.755 1.578 1.00 34.11 H new ATOM 220 N GLN A 15 -2.940 -26.189 4.295 1.00 62.31 N ATOM 221 CA GLN A 15 -1.956 -25.888 5.344 1.00 61.21 C ATOM 222 C GLN A 15 -2.590 -25.325 6.624 1.00 41.33 C ATOM 223 O GLN A 15 -1.971 -24.519 7.330 1.00 55.20 O ATOM 224 CB GLN A 15 -0.884 -24.920 4.805 1.00 32.53 C ATOM 225 CG GLN A 15 -0.099 -25.472 3.616 1.00 2.10 C ATOM 226 CD GLN A 15 1.037 -24.557 3.181 1.00 32.43 C ATOM 227 OE1 GLN A 15 0.861 -23.679 2.331 1.00 73.03 O ATOM 228 NE2 GLN A 15 2.218 -24.764 3.748 1.00 54.22 N ATOM 0 H GLN A 15 -2.949 -27.169 4.013 1.00 62.31 H new ATOM 0 HA GLN A 15 -1.492 -26.835 5.620 1.00 61.21 H new ATOM 0 HB2 GLN A 15 -1.365 -23.987 4.510 1.00 32.53 H new ATOM 0 HB3 GLN A 15 -0.188 -24.679 5.608 1.00 32.53 H new ATOM 0 HG2 GLN A 15 0.308 -26.449 3.877 1.00 2.10 H new ATOM 0 HG3 GLN A 15 -0.778 -25.624 2.777 1.00 2.10 H new ATOM 0 HE21 GLN A 15 2.326 -25.499 4.447 1.00 54.22 H new ATOM 0 HE22 GLN A 15 3.018 -24.188 3.485 1.00 54.22 H new ATOM 237 N THR A 16 -3.804 -25.767 6.948 1.00 54.24 N ATOM 238 CA THR A 16 -4.428 -25.385 8.212 1.00 21.43 C ATOM 239 C THR A 16 -3.796 -26.178 9.365 1.00 75.24 C ATOM 240 O THR A 16 -4.355 -27.164 9.845 1.00 55.04 O ATOM 241 CB THR A 16 -5.968 -25.584 8.188 1.00 2.14 C ATOM 242 OG1 THR A 16 -6.291 -26.889 7.683 1.00 30.03 O ATOM 243 CG2 THR A 16 -6.649 -24.518 7.329 1.00 42.53 C ATOM 0 H THR A 16 -4.368 -26.382 6.361 1.00 54.24 H new ATOM 0 HA THR A 16 -4.249 -24.321 8.365 1.00 21.43 H new ATOM 0 HB THR A 16 -6.334 -25.489 9.210 1.00 2.14 H new ATOM 0 HG1 THR A 16 -5.810 -27.568 8.201 1.00 30.03 H new ATOM 0 HG21 THR A 16 -7.726 -24.683 7.331 1.00 42.53 H new ATOM 0 HG22 THR A 16 -6.432 -23.530 7.735 1.00 42.53 H new ATOM 0 HG23 THR A 16 -6.274 -24.580 6.307 1.00 42.53 H new ATOM 251 N GLN A 17 -2.594 -25.755 9.759 1.00 13.34 N ATOM 252 CA GLN A 17 -1.836 -26.406 10.825 1.00 34.33 C ATOM 253 C GLN A 17 -2.392 -26.027 12.196 1.00 53.31 C ATOM 254 O GLN A 17 -2.493 -24.844 12.532 1.00 40.31 O ATOM 255 CB GLN A 17 -0.349 -26.019 10.726 1.00 1.43 C ATOM 256 CG GLN A 17 0.508 -26.492 11.901 1.00 44.23 C ATOM 257 CD GLN A 17 0.498 -28.001 12.099 1.00 62.21 C ATOM 258 OE1 GLN A 17 0.597 -28.486 13.225 1.00 74.11 O ATOM 259 NE2 GLN A 17 0.399 -28.759 11.017 1.00 32.34 N ATOM 0 H GLN A 17 -2.120 -24.951 9.347 1.00 13.34 H new ATOM 0 HA GLN A 17 -1.931 -27.485 10.706 1.00 34.33 H new ATOM 0 HB2 GLN A 17 0.061 -26.432 9.804 1.00 1.43 H new ATOM 0 HB3 GLN A 17 -0.273 -24.934 10.650 1.00 1.43 H new ATOM 0 HG2 GLN A 17 1.535 -26.162 11.746 1.00 44.23 H new ATOM 0 HG3 GLN A 17 0.154 -26.013 12.814 1.00 44.23 H new ATOM 0 HE21 GLN A 17 0.318 -28.326 10.097 1.00 32.34 H new ATOM 0 HE22 GLN A 17 0.404 -29.775 11.104 1.00 32.34 H new ATOM 268 N GLY A 18 -2.737 -27.041 12.983 1.00 74.42 N ATOM 269 CA GLY A 18 -3.273 -26.816 14.312 1.00 12.00 C ATOM 270 C GLY A 18 -4.783 -26.671 14.290 1.00 35.14 C ATOM 271 O GLY A 18 -5.290 -25.569 14.089 1.00 43.04 O ATOM 0 H GLY A 18 -2.654 -28.023 12.720 1.00 74.42 H new ATOM 0 HA2 GLY A 18 -2.996 -27.647 14.962 1.00 12.00 H new ATOM 0 HA3 GLY A 18 -2.827 -25.917 14.737 1.00 12.00 H new ATOM 275 N PRO A 19 -5.532 -27.773 14.488 1.00 2.43 N ATOM 276 CA PRO A 19 -6.998 -27.749 14.449 1.00 73.41 C ATOM 277 C PRO A 19 -7.584 -26.966 15.623 1.00 73.01 C ATOM 278 O PRO A 19 -7.035 -26.988 16.731 1.00 12.24 O ATOM 279 CB PRO A 19 -7.385 -29.234 14.535 1.00 61.45 C ATOM 280 CG PRO A 19 -6.232 -29.882 15.225 1.00 2.54 C ATOM 281 CD PRO A 19 -5.010 -29.124 14.775 1.00 51.13 C ATOM 0 HA PRO A 19 -7.380 -27.255 13.556 1.00 73.41 H new ATOM 0 HB2 PRO A 19 -8.310 -29.371 15.095 1.00 61.45 H new ATOM 0 HB3 PRO A 19 -7.545 -29.660 13.545 1.00 61.45 H new ATOM 0 HG2 PRO A 19 -6.346 -29.834 16.308 1.00 2.54 H new ATOM 0 HG3 PRO A 19 -6.159 -30.937 14.959 1.00 2.54 H new ATOM 0 HD2 PRO A 19 -4.243 -29.102 15.549 1.00 51.13 H new ATOM 0 HD3 PRO A 19 -4.559 -29.577 13.892 1.00 51.13 H new ATOM 289 N GLY A 20 -8.692 -26.273 15.376 1.00 44.34 N ATOM 290 CA GLY A 20 -9.331 -25.482 16.415 1.00 15.12 C ATOM 291 C GLY A 20 -10.831 -25.700 16.466 1.00 30.50 C ATOM 292 O GLY A 20 -11.588 -25.022 15.763 1.00 30.22 O ATOM 0 H GLY A 20 -9.161 -26.245 14.471 1.00 44.34 H new ATOM 0 HA2 GLY A 20 -8.896 -25.737 17.381 1.00 15.12 H new ATOM 0 HA3 GLY A 20 -9.126 -24.426 16.242 1.00 15.12 H new ATOM 296 N SER A 21 -11.263 -26.654 17.284 1.00 5.35 N ATOM 297 CA SER A 21 -12.680 -26.936 17.461 1.00 13.22 C ATOM 298 C SER A 21 -12.905 -27.738 18.740 1.00 35.21 C ATOM 299 O SER A 21 -12.355 -28.828 18.907 1.00 61.22 O ATOM 300 CB SER A 21 -13.238 -27.701 16.248 1.00 65.31 C ATOM 301 OG SER A 21 -14.631 -27.930 16.385 1.00 31.31 O ATOM 0 H SER A 21 -10.646 -27.248 17.838 1.00 5.35 H new ATOM 0 HA SER A 21 -13.210 -25.987 17.543 1.00 13.22 H new ATOM 0 HB2 SER A 21 -13.048 -27.133 15.337 1.00 65.31 H new ATOM 0 HB3 SER A 21 -12.718 -28.653 16.144 1.00 65.31 H new ATOM 0 HG SER A 21 -14.961 -28.416 15.601 1.00 31.31 H new ATOM 307 N MET A 22 -13.693 -27.179 19.651 1.00 40.34 N ATOM 308 CA MET A 22 -14.094 -27.873 20.877 1.00 11.43 C ATOM 309 C MET A 22 -15.533 -28.363 20.737 1.00 25.31 C ATOM 310 O MET A 22 -16.261 -28.466 21.726 1.00 73.35 O ATOM 311 CB MET A 22 -13.980 -26.930 22.086 1.00 14.10 C ATOM 312 CG MET A 22 -12.558 -26.471 22.389 1.00 73.13 C ATOM 313 SD MET A 22 -11.463 -27.838 22.829 1.00 12.04 S ATOM 314 CE MET A 22 -12.250 -28.454 24.321 1.00 34.42 C ATOM 0 H MET A 22 -14.073 -26.236 19.565 1.00 40.34 H new ATOM 0 HA MET A 22 -13.433 -28.725 21.035 1.00 11.43 H new ATOM 0 HB2 MET A 22 -14.603 -26.053 21.909 1.00 14.10 H new ATOM 0 HB3 MET A 22 -14.382 -27.434 22.965 1.00 14.10 H new ATOM 0 HG2 MET A 22 -12.155 -25.953 21.519 1.00 73.13 H new ATOM 0 HG3 MET A 22 -12.580 -25.751 23.207 1.00 73.13 H new ATOM 0 HE1 MET A 22 -11.543 -29.068 24.878 1.00 34.42 H new ATOM 0 HE2 MET A 22 -12.566 -27.614 24.939 1.00 34.42 H new ATOM 0 HE3 MET A 22 -13.119 -29.054 24.053 1.00 34.42 H new ATOM 324 N ASP A 23 -15.929 -28.663 19.494 1.00 74.42 N ATOM 325 CA ASP A 23 -17.325 -28.982 19.164 1.00 12.13 C ATOM 326 C ASP A 23 -18.203 -27.753 19.425 1.00 74.30 C ATOM 327 O ASP A 23 -19.429 -27.833 19.520 1.00 71.42 O ATOM 328 CB ASP A 23 -17.819 -30.212 19.955 1.00 21.15 C ATOM 329 CG ASP A 23 -19.245 -30.628 19.605 1.00 3.10 C ATOM 330 OD1 ASP A 23 -19.620 -30.580 18.411 1.00 40.20 O ATOM 331 OD2 ASP A 23 -19.996 -31.025 20.522 1.00 33.13 O ATOM 0 H ASP A 23 -15.297 -28.692 18.694 1.00 74.42 H new ATOM 0 HA ASP A 23 -17.392 -29.241 18.107 1.00 12.13 H new ATOM 0 HB2 ASP A 23 -17.148 -31.050 19.765 1.00 21.15 H new ATOM 0 HB3 ASP A 23 -17.764 -29.994 21.022 1.00 21.15 H new ATOM 336 N ASP A 24 -17.541 -26.602 19.516 1.00 42.31 N ATOM 337 CA ASP A 24 -18.208 -25.318 19.712 1.00 42.05 C ATOM 338 C ASP A 24 -18.787 -24.850 18.368 1.00 40.34 C ATOM 339 O ASP A 24 -19.032 -25.676 17.487 1.00 21.12 O ATOM 340 CB ASP A 24 -17.194 -24.310 20.293 1.00 70.42 C ATOM 341 CG ASP A 24 -17.832 -23.009 20.762 1.00 43.13 C ATOM 342 OD1 ASP A 24 -18.675 -23.048 21.682 1.00 1.13 O ATOM 343 OD2 ASP A 24 -17.497 -21.945 20.199 1.00 14.53 O ATOM 0 H ASP A 24 -16.525 -26.534 19.456 1.00 42.31 H new ATOM 0 HA ASP A 24 -19.032 -25.406 20.420 1.00 42.05 H new ATOM 0 HB2 ASP A 24 -16.673 -24.773 21.131 1.00 70.42 H new ATOM 0 HB3 ASP A 24 -16.443 -24.085 19.536 1.00 70.42 H new ATOM 348 N GLU A 25 -19.021 -23.552 18.200 1.00 43.24 N ATOM 349 CA GLU A 25 -19.586 -23.039 16.961 1.00 32.13 C ATOM 350 C GLU A 25 -18.561 -23.109 15.833 1.00 71.11 C ATOM 351 O GLU A 25 -17.468 -22.542 15.937 1.00 11.21 O ATOM 352 CB GLU A 25 -20.063 -21.593 17.146 1.00 24.04 C ATOM 353 CG GLU A 25 -20.992 -21.399 18.342 1.00 41.52 C ATOM 354 CD GLU A 25 -22.155 -22.384 18.372 1.00 11.45 C ATOM 355 OE1 GLU A 25 -22.755 -22.647 17.311 1.00 40.34 O ATOM 356 OE2 GLU A 25 -22.481 -22.891 19.467 1.00 25.03 O ATOM 0 H GLU A 25 -18.828 -22.840 18.905 1.00 43.24 H new ATOM 0 HA GLU A 25 -20.441 -23.660 16.695 1.00 32.13 H new ATOM 0 HB2 GLU A 25 -19.194 -20.946 17.264 1.00 24.04 H new ATOM 0 HB3 GLU A 25 -20.579 -21.272 16.241 1.00 24.04 H new ATOM 0 HG2 GLU A 25 -20.415 -21.502 19.261 1.00 41.52 H new ATOM 0 HG3 GLU A 25 -21.386 -20.383 18.325 1.00 41.52 H new ATOM 363 N LEU A 26 -18.907 -23.829 14.769 1.00 21.21 N ATOM 364 CA LEU A 26 -18.061 -23.895 13.582 1.00 15.43 C ATOM 365 C LEU A 26 -18.389 -22.748 12.637 1.00 11.11 C ATOM 366 O LEU A 26 -19.534 -22.292 12.552 1.00 33.23 O ATOM 367 CB LEU A 26 -18.206 -25.238 12.842 1.00 3.44 C ATOM 368 CG LEU A 26 -17.352 -26.399 13.388 1.00 42.43 C ATOM 369 CD1 LEU A 26 -17.672 -26.683 14.851 1.00 63.11 C ATOM 370 CD2 LEU A 26 -17.545 -27.653 12.538 1.00 21.13 C ATOM 0 H LEU A 26 -19.767 -24.374 14.705 1.00 21.21 H new ATOM 0 HA LEU A 26 -17.027 -23.810 13.917 1.00 15.43 H new ATOM 0 HB2 LEU A 26 -19.254 -25.537 12.872 1.00 3.44 H new ATOM 0 HB3 LEU A 26 -17.949 -25.084 11.794 1.00 3.44 H new ATOM 0 HG LEU A 26 -16.305 -26.100 13.330 1.00 42.43 H new ATOM 0 HD11 LEU A 26 -17.053 -27.507 15.206 1.00 63.11 H new ATOM 0 HD12 LEU A 26 -17.469 -25.794 15.447 1.00 63.11 H new ATOM 0 HD13 LEU A 26 -18.724 -26.952 14.948 1.00 63.11 H new ATOM 0 HD21 LEU A 26 -16.934 -28.462 12.939 1.00 21.13 H new ATOM 0 HD22 LEU A 26 -18.594 -27.947 12.557 1.00 21.13 H new ATOM 0 HD23 LEU A 26 -17.244 -27.446 11.511 1.00 21.13 H new ATOM 382 N TYR A 27 -17.368 -22.290 11.940 1.00 5.01 N ATOM 383 CA TYR A 27 -17.490 -21.218 10.971 1.00 1.23 C ATOM 384 C TYR A 27 -16.951 -21.691 9.630 1.00 21.45 C ATOM 385 O TYR A 27 -16.038 -22.525 9.574 1.00 35.30 O ATOM 386 CB TYR A 27 -16.718 -19.968 11.439 1.00 52.12 C ATOM 387 CG TYR A 27 -17.452 -19.119 12.463 1.00 2.32 C ATOM 388 CD1 TYR A 27 -17.762 -19.613 13.728 1.00 64.22 C ATOM 389 CD2 TYR A 27 -17.830 -17.814 12.160 1.00 22.21 C ATOM 390 CE1 TYR A 27 -18.428 -18.832 14.656 1.00 54.23 C ATOM 391 CE2 TYR A 27 -18.495 -17.030 13.083 1.00 1.01 C ATOM 392 CZ TYR A 27 -18.791 -17.541 14.328 1.00 13.21 C ATOM 393 OH TYR A 27 -19.453 -16.757 15.249 1.00 30.44 O ATOM 0 H TYR A 27 -16.420 -22.655 12.031 1.00 5.01 H new ATOM 0 HA TYR A 27 -18.542 -20.950 10.870 1.00 1.23 H new ATOM 0 HB2 TYR A 27 -15.765 -20.283 11.864 1.00 52.12 H new ATOM 0 HB3 TYR A 27 -16.491 -19.351 10.570 1.00 52.12 H new ATOM 0 HD1 TYR A 27 -17.478 -20.622 13.989 1.00 64.22 H new ATOM 0 HD2 TYR A 27 -17.599 -17.407 11.186 1.00 22.21 H new ATOM 0 HE1 TYR A 27 -18.663 -19.230 15.632 1.00 54.23 H new ATOM 0 HE2 TYR A 27 -18.782 -16.020 12.830 1.00 1.01 H new ATOM 0 HH TYR A 27 -19.634 -15.876 14.859 1.00 30.44 H new ATOM 403 N PHE A 28 -17.530 -21.165 8.565 1.00 71.32 N ATOM 404 CA PHE A 28 -17.059 -21.411 7.214 1.00 10.14 C ATOM 405 C PHE A 28 -16.660 -20.088 6.590 1.00 42.44 C ATOM 406 O PHE A 28 -17.092 -19.029 7.043 1.00 44.14 O ATOM 407 CB PHE A 28 -18.150 -22.093 6.362 1.00 40.34 C ATOM 408 CG PHE A 28 -17.834 -23.524 6.000 1.00 41.12 C ATOM 409 CD1 PHE A 28 -16.606 -23.852 5.453 1.00 65.42 C ATOM 410 CD2 PHE A 28 -18.760 -24.537 6.200 1.00 74.33 C ATOM 411 CE1 PHE A 28 -16.310 -25.153 5.113 1.00 62.14 C ATOM 412 CE2 PHE A 28 -18.462 -25.846 5.862 1.00 21.32 C ATOM 413 CZ PHE A 28 -17.236 -26.150 5.320 1.00 60.33 C ATOM 0 H PHE A 28 -18.344 -20.552 8.614 1.00 71.32 H new ATOM 0 HA PHE A 28 -16.200 -22.082 7.251 1.00 10.14 H new ATOM 0 HB2 PHE A 28 -19.094 -22.066 6.907 1.00 40.34 H new ATOM 0 HB3 PHE A 28 -18.294 -21.520 5.446 1.00 40.34 H new ATOM 0 HD1 PHE A 28 -15.871 -23.078 5.291 1.00 65.42 H new ATOM 0 HD2 PHE A 28 -19.725 -24.302 6.624 1.00 74.33 H new ATOM 0 HE1 PHE A 28 -15.349 -25.392 4.683 1.00 62.14 H new ATOM 0 HE2 PHE A 28 -19.191 -26.626 6.024 1.00 21.32 H new ATOM 0 HZ PHE A 28 -16.999 -27.170 5.057 1.00 60.33 H new ATOM 423 N VAL A 29 -15.845 -20.149 5.555 1.00 31.31 N ATOM 424 CA VAL A 29 -15.470 -18.961 4.816 1.00 3.35 C ATOM 425 C VAL A 29 -16.492 -18.768 3.712 1.00 63.31 C ATOM 426 O VAL A 29 -16.954 -19.738 3.139 1.00 22.10 O ATOM 427 CB VAL A 29 -14.035 -19.102 4.247 1.00 23.40 C ATOM 428 CG1 VAL A 29 -13.744 -18.058 3.174 1.00 63.55 C ATOM 429 CG2 VAL A 29 -13.009 -19.029 5.380 1.00 71.30 C ATOM 0 H VAL A 29 -15.429 -21.013 5.206 1.00 31.31 H new ATOM 0 HA VAL A 29 -15.462 -18.087 5.468 1.00 3.35 H new ATOM 0 HB VAL A 29 -13.959 -20.078 3.768 1.00 23.40 H new ATOM 0 HG11 VAL A 29 -12.728 -18.192 2.802 1.00 63.55 H new ATOM 0 HG12 VAL A 29 -14.450 -18.175 2.352 1.00 63.55 H new ATOM 0 HG13 VAL A 29 -13.845 -17.060 3.600 1.00 63.55 H new ATOM 0 HG21 VAL A 29 -12.005 -19.129 4.968 1.00 71.30 H new ATOM 0 HG22 VAL A 29 -13.098 -18.070 5.890 1.00 71.30 H new ATOM 0 HG23 VAL A 29 -13.192 -19.836 6.090 1.00 71.30 H new ATOM 439 N VAL A 30 -16.899 -17.539 3.447 1.00 64.44 N ATOM 440 CA VAL A 30 -17.966 -17.291 2.481 1.00 74.31 C ATOM 441 C VAL A 30 -17.663 -16.081 1.623 1.00 41.10 C ATOM 442 O VAL A 30 -16.771 -15.291 1.941 1.00 44.12 O ATOM 443 CB VAL A 30 -19.330 -17.095 3.189 1.00 20.14 C ATOM 444 CG1 VAL A 30 -19.682 -18.329 4.012 1.00 2.32 C ATOM 445 CG2 VAL A 30 -19.317 -15.839 4.060 1.00 64.13 C ATOM 0 H VAL A 30 -16.513 -16.700 3.881 1.00 64.44 H new ATOM 0 HA VAL A 30 -18.024 -18.170 1.839 1.00 74.31 H new ATOM 0 HB VAL A 30 -20.098 -16.962 2.427 1.00 20.14 H new ATOM 0 HG11 VAL A 30 -20.643 -18.177 4.504 1.00 2.32 H new ATOM 0 HG12 VAL A 30 -19.743 -19.198 3.357 1.00 2.32 H new ATOM 0 HG13 VAL A 30 -18.912 -18.496 4.765 1.00 2.32 H new ATOM 0 HG21 VAL A 30 -20.286 -15.723 4.546 1.00 64.13 H new ATOM 0 HG22 VAL A 30 -18.539 -15.930 4.818 1.00 64.13 H new ATOM 0 HG23 VAL A 30 -19.117 -14.967 3.438 1.00 64.13 H new ATOM 455 N ARG A 31 -18.396 -15.951 0.527 1.00 74.21 N ATOM 456 CA ARG A 31 -18.210 -14.819 -0.377 1.00 61.34 C ATOM 457 C ARG A 31 -19.454 -14.584 -1.226 1.00 65.32 C ATOM 458 O ARG A 31 -20.318 -15.464 -1.336 1.00 35.24 O ATOM 459 CB ARG A 31 -17.004 -15.073 -1.295 1.00 41.42 C ATOM 460 CG ARG A 31 -17.190 -16.287 -2.200 1.00 24.13 C ATOM 461 CD ARG A 31 -15.945 -16.620 -3.015 1.00 34.43 C ATOM 462 NE ARG A 31 -15.585 -15.588 -3.989 1.00 52.03 N ATOM 463 CZ ARG A 31 -16.275 -15.317 -5.104 1.00 70.33 C ATOM 464 NH1 ARG A 31 -17.484 -15.829 -5.301 1.00 13.04 N ATOM 465 NH2 ARG A 31 -15.757 -14.502 -6.010 1.00 53.34 N ATOM 0 H ARG A 31 -19.121 -16.609 0.241 1.00 74.21 H new ATOM 0 HA ARG A 31 -18.031 -13.930 0.228 1.00 61.34 H new ATOM 0 HB2 ARG A 31 -16.831 -14.191 -1.911 1.00 41.42 H new ATOM 0 HB3 ARG A 31 -16.113 -15.215 -0.684 1.00 41.42 H new ATOM 0 HG2 ARG A 31 -17.460 -17.149 -1.591 1.00 24.13 H new ATOM 0 HG3 ARG A 31 -18.023 -16.103 -2.878 1.00 24.13 H new ATOM 0 HD2 ARG A 31 -15.107 -16.773 -2.335 1.00 34.43 H new ATOM 0 HD3 ARG A 31 -16.106 -17.562 -3.540 1.00 34.43 H new ATOM 0 HE ARG A 31 -14.748 -15.035 -3.805 1.00 52.03 H new ATOM 0 HH11 ARG A 31 -17.900 -16.439 -4.597 1.00 13.04 H new ATOM 0 HH12 ARG A 31 -17.996 -15.613 -6.156 1.00 13.04 H new ATOM 0 HH21 ARG A 31 -14.839 -14.086 -5.856 1.00 53.34 H new ATOM 0 HH22 ARG A 31 -16.276 -14.291 -6.862 1.00 53.34 H new ATOM 479 N ASN A 32 -19.541 -13.383 -1.794 1.00 2.23 N ATOM 480 CA ASN A 32 -20.496 -13.090 -2.862 1.00 31.43 C ATOM 481 C ASN A 32 -20.146 -11.771 -3.540 1.00 1.13 C ATOM 482 O ASN A 32 -19.784 -10.806 -2.872 1.00 32.34 O ATOM 483 CB ASN A 32 -21.941 -13.018 -2.328 1.00 44.45 C ATOM 484 CG ASN A 32 -22.182 -11.894 -1.322 1.00 22.14 C ATOM 485 OD1 ASN A 32 -23.256 -11.294 -1.299 1.00 21.30 O ATOM 486 ND2 ASN A 32 -21.205 -11.607 -0.471 1.00 21.21 N ATOM 0 H ASN A 32 -18.956 -12.590 -1.530 1.00 2.23 H new ATOM 0 HA ASN A 32 -20.434 -13.904 -3.584 1.00 31.43 H new ATOM 0 HB2 ASN A 32 -22.621 -12.889 -3.170 1.00 44.45 H new ATOM 0 HB3 ASN A 32 -22.191 -13.970 -1.859 1.00 44.45 H new ATOM 0 HD21 ASN A 32 -21.334 -10.873 0.225 1.00 21.21 H new ATOM 0 HD22 ASN A 32 -20.325 -12.121 -0.513 1.00 21.21 H new ATOM 493 N ASN A 33 -20.285 -11.744 -4.866 1.00 42.50 N ATOM 494 CA ASN A 33 -20.108 -10.537 -5.698 1.00 1.24 C ATOM 495 C ASN A 33 -18.849 -9.706 -5.375 1.00 14.24 C ATOM 496 O ASN A 33 -18.650 -8.638 -5.961 1.00 32.20 O ATOM 497 CB ASN A 33 -21.353 -9.645 -5.596 1.00 73.12 C ATOM 498 CG ASN A 33 -22.588 -10.290 -6.203 1.00 2.33 C ATOM 499 OD1 ASN A 33 -22.490 -11.131 -7.098 1.00 42.53 O ATOM 500 ND2 ASN A 33 -23.758 -9.886 -5.737 1.00 65.15 N ATOM 0 H ASN A 33 -20.528 -12.572 -5.409 1.00 42.50 H new ATOM 0 HA ASN A 33 -19.969 -10.903 -6.715 1.00 1.24 H new ATOM 0 HB2 ASN A 33 -21.546 -9.416 -4.548 1.00 73.12 H new ATOM 0 HB3 ASN A 33 -21.158 -8.698 -6.099 1.00 73.12 H new ATOM 0 HD21 ASN A 33 -24.621 -10.273 -6.120 1.00 65.15 H new ATOM 0 HD22 ASN A 33 -23.798 -9.187 -4.995 1.00 65.15 H new ATOM 507 N GLU A 34 -17.986 -10.193 -4.487 1.00 12.12 N ATOM 508 CA GLU A 34 -16.881 -9.382 -3.966 1.00 15.25 C ATOM 509 C GLU A 34 -15.517 -9.892 -4.433 1.00 55.43 C ATOM 510 O GLU A 34 -14.585 -9.105 -4.606 1.00 11.43 O ATOM 511 CB GLU A 34 -16.940 -9.376 -2.430 1.00 31.40 C ATOM 512 CG GLU A 34 -16.789 -10.759 -1.805 1.00 45.21 C ATOM 513 CD GLU A 34 -17.211 -10.796 -0.346 1.00 55.45 C ATOM 514 OE1 GLU A 34 -16.486 -10.235 0.506 1.00 70.25 O ATOM 515 OE2 GLU A 34 -18.281 -11.372 -0.052 1.00 52.32 O ATOM 0 H GLU A 34 -18.027 -11.141 -4.112 1.00 12.12 H new ATOM 0 HA GLU A 34 -16.996 -8.370 -4.354 1.00 15.25 H new ATOM 0 HB2 GLU A 34 -16.153 -8.726 -2.048 1.00 31.40 H new ATOM 0 HB3 GLU A 34 -17.890 -8.946 -2.113 1.00 31.40 H new ATOM 0 HG2 GLU A 34 -17.387 -11.475 -2.369 1.00 45.21 H new ATOM 0 HG3 GLU A 34 -15.750 -11.078 -1.886 1.00 45.21 H new ATOM 522 N GLY A 35 -15.390 -11.204 -4.625 1.00 13.30 N ATOM 523 CA GLY A 35 -14.109 -11.777 -5.015 1.00 3.53 C ATOM 524 C GLY A 35 -13.186 -11.985 -3.828 1.00 21.20 C ATOM 525 O GLY A 35 -12.265 -12.801 -3.880 1.00 11.05 O ATOM 0 H GLY A 35 -16.147 -11.879 -4.518 1.00 13.30 H new ATOM 0 HA2 GLY A 35 -14.277 -12.732 -5.513 1.00 3.53 H new ATOM 0 HA3 GLY A 35 -13.625 -11.121 -5.738 1.00 3.53 H new ATOM 529 N GLN A 36 -13.431 -11.234 -2.756 1.00 72.42 N ATOM 530 CA GLN A 36 -12.683 -11.372 -1.509 1.00 74.31 C ATOM 531 C GLN A 36 -13.417 -12.318 -0.568 1.00 21.04 C ATOM 532 O GLN A 36 -14.526 -12.765 -0.872 1.00 51.11 O ATOM 533 CB GLN A 36 -12.469 -10.001 -0.855 1.00 41.20 C ATOM 534 CG GLN A 36 -11.561 -9.083 -1.663 1.00 14.33 C ATOM 535 CD GLN A 36 -11.281 -7.771 -0.959 1.00 24.11 C ATOM 536 OE1 GLN A 36 -11.990 -6.782 -1.153 1.00 61.54 O ATOM 537 NE2 GLN A 36 -10.254 -7.755 -0.124 1.00 51.11 N ATOM 0 H GLN A 36 -14.153 -10.514 -2.728 1.00 72.42 H new ATOM 0 HA GLN A 36 -11.702 -11.793 -1.728 1.00 74.31 H new ATOM 0 HB2 GLN A 36 -13.436 -9.516 -0.719 1.00 41.20 H new ATOM 0 HB3 GLN A 36 -12.041 -10.142 0.137 1.00 41.20 H new ATOM 0 HG2 GLN A 36 -10.618 -9.593 -1.861 1.00 14.33 H new ATOM 0 HG3 GLN A 36 -12.023 -8.881 -2.630 1.00 14.33 H new ATOM 0 HE21 GLN A 36 -9.691 -8.595 0.009 1.00 51.11 H new ATOM 0 HE22 GLN A 36 -10.025 -6.902 0.387 1.00 51.11 H new ATOM 546 N TYR A 37 -12.800 -12.640 0.559 1.00 44.03 N ATOM 547 CA TYR A 37 -13.346 -13.640 1.467 1.00 31.33 C ATOM 548 C TYR A 37 -13.916 -13.038 2.739 1.00 72.14 C ATOM 549 O TYR A 37 -13.502 -11.968 3.187 1.00 73.10 O ATOM 550 CB TYR A 37 -12.278 -14.681 1.808 1.00 65.43 C ATOM 551 CG TYR A 37 -12.116 -15.707 0.716 1.00 23.52 C ATOM 552 CD1 TYR A 37 -13.222 -16.415 0.278 1.00 60.30 C ATOM 553 CD2 TYR A 37 -10.887 -15.957 0.114 1.00 24.31 C ATOM 554 CE1 TYR A 37 -13.117 -17.352 -0.731 1.00 72.34 C ATOM 555 CE2 TYR A 37 -10.773 -16.890 -0.903 1.00 24.44 C ATOM 556 CZ TYR A 37 -11.892 -17.587 -1.318 1.00 11.32 C ATOM 557 OH TYR A 37 -11.788 -18.514 -2.331 1.00 0.35 O ATOM 0 H TYR A 37 -11.921 -12.224 0.867 1.00 44.03 H new ATOM 0 HA TYR A 37 -14.176 -14.119 0.947 1.00 31.33 H new ATOM 0 HB2 TYR A 37 -11.325 -14.180 1.978 1.00 65.43 H new ATOM 0 HB3 TYR A 37 -12.545 -15.182 2.739 1.00 65.43 H new ATOM 0 HD1 TYR A 37 -14.184 -16.231 0.733 1.00 60.30 H new ATOM 0 HD2 TYR A 37 -10.012 -15.417 0.444 1.00 24.31 H new ATOM 0 HE1 TYR A 37 -13.990 -17.898 -1.058 1.00 72.34 H new ATOM 0 HE2 TYR A 37 -9.816 -17.072 -1.369 1.00 24.44 H new ATOM 0 HH TYR A 37 -11.314 -18.116 -3.091 1.00 0.35 H new ATOM 567 N SER A 38 -14.889 -13.746 3.296 1.00 71.15 N ATOM 568 CA SER A 38 -15.470 -13.418 4.584 1.00 73.51 C ATOM 569 C SER A 38 -15.667 -14.707 5.384 1.00 12.10 C ATOM 570 O SER A 38 -15.315 -15.787 4.907 1.00 11.10 O ATOM 571 CB SER A 38 -16.809 -12.688 4.398 1.00 52.44 C ATOM 572 OG SER A 38 -16.652 -11.503 3.629 1.00 71.45 O ATOM 0 H SER A 38 -15.299 -14.572 2.859 1.00 71.15 H new ATOM 0 HA SER A 38 -14.799 -12.754 5.128 1.00 73.51 H new ATOM 0 HB2 SER A 38 -17.521 -13.351 3.906 1.00 52.44 H new ATOM 0 HB3 SER A 38 -17.227 -12.438 5.373 1.00 52.44 H new ATOM 0 HG SER A 38 -17.521 -11.062 3.527 1.00 71.45 H new ATOM 578 N VAL A 39 -16.209 -14.597 6.595 1.00 63.03 N ATOM 579 CA VAL A 39 -16.504 -15.769 7.422 1.00 5.30 C ATOM 580 C VAL A 39 -17.967 -15.764 7.868 1.00 14.12 C ATOM 581 O VAL A 39 -18.591 -14.704 7.997 1.00 3.12 O ATOM 582 CB VAL A 39 -15.569 -15.860 8.655 1.00 35.10 C ATOM 583 CG1 VAL A 39 -14.128 -16.101 8.201 1.00 34.34 C ATOM 584 CG2 VAL A 39 -15.671 -14.600 9.517 1.00 24.42 C ATOM 0 H VAL A 39 -16.454 -13.706 7.028 1.00 63.03 H new ATOM 0 HA VAL A 39 -16.324 -16.649 6.805 1.00 5.30 H new ATOM 0 HB VAL A 39 -15.885 -16.703 9.270 1.00 35.10 H new ATOM 0 HG11 VAL A 39 -13.477 -16.164 9.073 1.00 34.34 H new ATOM 0 HG12 VAL A 39 -14.074 -17.034 7.640 1.00 34.34 H new ATOM 0 HG13 VAL A 39 -13.804 -15.277 7.565 1.00 34.34 H new ATOM 0 HG21 VAL A 39 -15.005 -14.691 10.375 1.00 24.42 H new ATOM 0 HG22 VAL A 39 -15.384 -13.730 8.926 1.00 24.42 H new ATOM 0 HG23 VAL A 39 -16.697 -14.480 9.866 1.00 24.42 H new ATOM 594 N TRP A 40 -18.505 -16.954 8.108 1.00 31.10 N ATOM 595 CA TRP A 40 -19.929 -17.136 8.365 1.00 74.31 C ATOM 596 C TRP A 40 -20.148 -18.237 9.399 1.00 25.31 C ATOM 597 O TRP A 40 -19.411 -19.222 9.437 1.00 1.51 O ATOM 598 CB TRP A 40 -20.617 -17.470 7.036 1.00 25.04 C ATOM 599 CG TRP A 40 -22.048 -17.920 7.125 1.00 64.03 C ATOM 600 CD1 TRP A 40 -23.144 -17.163 7.431 1.00 73.50 C ATOM 601 CD2 TRP A 40 -22.535 -19.237 6.846 1.00 63.34 C ATOM 602 NE1 TRP A 40 -24.281 -17.937 7.372 1.00 4.55 N ATOM 603 CE2 TRP A 40 -23.929 -19.208 7.010 1.00 73.33 C ATOM 604 CE3 TRP A 40 -21.925 -20.438 6.475 1.00 72.11 C ATOM 605 CZ2 TRP A 40 -24.724 -20.325 6.814 1.00 64.30 C ATOM 606 CZ3 TRP A 40 -22.716 -21.553 6.281 1.00 51.14 C ATOM 607 CH2 TRP A 40 -24.105 -21.489 6.447 1.00 71.21 C ATOM 0 H TRP A 40 -17.967 -17.820 8.130 1.00 31.10 H new ATOM 0 HA TRP A 40 -20.360 -16.223 8.775 1.00 74.31 H new ATOM 0 HB2 TRP A 40 -20.574 -16.588 6.397 1.00 25.04 H new ATOM 0 HB3 TRP A 40 -20.042 -18.252 6.539 1.00 25.04 H new ATOM 0 HD1 TRP A 40 -23.121 -16.113 7.682 1.00 73.50 H new ATOM 0 HE1 TRP A 40 -25.229 -17.616 7.566 1.00 4.55 H new ATOM 0 HE3 TRP A 40 -20.855 -20.493 6.342 1.00 72.11 H new ATOM 0 HZ2 TRP A 40 -25.795 -20.279 6.946 1.00 64.30 H new ATOM 0 HZ3 TRP A 40 -22.257 -22.488 5.997 1.00 51.14 H new ATOM 0 HH2 TRP A 40 -24.699 -22.376 6.282 1.00 71.21 H new ATOM 618 N MET A 41 -21.161 -18.051 10.235 1.00 15.53 N ATOM 619 CA MET A 41 -21.453 -18.970 11.333 1.00 1.22 C ATOM 620 C MET A 41 -22.423 -20.060 10.882 1.00 72.33 C ATOM 621 O MET A 41 -23.415 -19.774 10.208 1.00 71.32 O ATOM 622 CB MET A 41 -22.048 -18.185 12.513 1.00 42.31 C ATOM 623 CG MET A 41 -22.375 -19.032 13.736 1.00 31.15 C ATOM 624 SD MET A 41 -23.085 -18.051 15.076 1.00 32.11 S ATOM 625 CE MET A 41 -23.267 -19.306 16.343 1.00 73.30 C ATOM 0 H MET A 41 -21.804 -17.261 10.173 1.00 15.53 H new ATOM 0 HA MET A 41 -20.526 -19.450 11.647 1.00 1.22 H new ATOM 0 HB2 MET A 41 -21.345 -17.405 12.805 1.00 42.31 H new ATOM 0 HB3 MET A 41 -22.958 -17.686 12.179 1.00 42.31 H new ATOM 0 HG2 MET A 41 -23.075 -19.819 13.454 1.00 31.15 H new ATOM 0 HG3 MET A 41 -21.468 -19.523 14.089 1.00 31.15 H new ATOM 0 HE1 MET A 41 -22.980 -18.892 17.309 1.00 73.30 H new ATOM 0 HE2 MET A 41 -24.306 -19.635 16.383 1.00 73.30 H new ATOM 0 HE3 MET A 41 -22.626 -20.156 16.108 1.00 73.30 H new ATOM 635 N ASP A 42 -22.128 -21.303 11.257 1.00 51.30 N ATOM 636 CA ASP A 42 -22.997 -22.438 10.936 1.00 11.42 C ATOM 637 C ASP A 42 -24.270 -22.387 11.790 1.00 34.45 C ATOM 638 O ASP A 42 -24.412 -21.516 12.651 1.00 34.15 O ATOM 639 CB ASP A 42 -22.239 -23.763 11.150 1.00 70.44 C ATOM 640 CG ASP A 42 -23.051 -24.985 10.735 1.00 62.11 C ATOM 641 OD1 ASP A 42 -23.372 -25.114 9.534 1.00 14.52 O ATOM 642 OD2 ASP A 42 -23.394 -25.812 11.606 1.00 62.33 O ATOM 0 H ASP A 42 -21.292 -21.552 11.785 1.00 51.30 H new ATOM 0 HA ASP A 42 -23.289 -22.379 9.888 1.00 11.42 H new ATOM 0 HB2 ASP A 42 -21.310 -23.740 10.581 1.00 70.44 H new ATOM 0 HB3 ASP A 42 -21.967 -23.854 12.201 1.00 70.44 H new ATOM 647 N GLY A 43 -25.202 -23.304 11.539 1.00 43.50 N ATOM 648 CA GLY A 43 -26.477 -23.299 12.241 1.00 3.14 C ATOM 649 C GLY A 43 -27.541 -22.609 11.417 1.00 31.24 C ATOM 650 O GLY A 43 -28.708 -22.532 11.807 1.00 3.04 O ATOM 0 H GLY A 43 -25.096 -24.055 10.857 1.00 43.50 H new ATOM 0 HA2 GLY A 43 -26.783 -24.323 12.455 1.00 3.14 H new ATOM 0 HA3 GLY A 43 -26.367 -22.792 13.200 1.00 3.14 H new ATOM 654 N ARG A 44 -27.118 -22.105 10.267 1.00 4.12 N ATOM 655 CA ARG A 44 -27.995 -21.434 9.325 1.00 32.44 C ATOM 656 C ARG A 44 -27.602 -21.823 7.902 1.00 64.22 C ATOM 657 O ARG A 44 -26.633 -22.562 7.702 1.00 52.23 O ATOM 658 CB ARG A 44 -27.920 -19.908 9.527 1.00 0.23 C ATOM 659 CG ARG A 44 -26.501 -19.362 9.668 1.00 25.34 C ATOM 660 CD ARG A 44 -26.489 -17.856 9.921 1.00 30.41 C ATOM 661 NE ARG A 44 -27.196 -17.116 8.873 1.00 65.32 N ATOM 662 CZ ARG A 44 -26.768 -15.968 8.340 1.00 41.11 C ATOM 663 NH1 ARG A 44 -25.619 -15.431 8.738 1.00 33.33 N ATOM 664 NH2 ARG A 44 -27.491 -15.366 7.407 1.00 23.54 N ATOM 0 H ARG A 44 -26.146 -22.152 9.961 1.00 4.12 H new ATOM 0 HA ARG A 44 -29.026 -21.743 9.497 1.00 32.44 H new ATOM 0 HB2 ARG A 44 -28.403 -19.417 8.682 1.00 0.23 H new ATOM 0 HB3 ARG A 44 -28.489 -19.643 10.418 1.00 0.23 H new ATOM 0 HG2 ARG A 44 -25.997 -19.871 10.489 1.00 25.34 H new ATOM 0 HG3 ARG A 44 -25.936 -19.582 8.762 1.00 25.34 H new ATOM 0 HD2 ARG A 44 -26.951 -17.647 10.886 1.00 30.41 H new ATOM 0 HD3 ARG A 44 -25.458 -17.507 9.979 1.00 30.41 H new ATOM 0 HE ARG A 44 -28.074 -17.503 8.527 1.00 65.32 H new ATOM 0 HH11 ARG A 44 -25.060 -15.896 9.453 1.00 33.33 H new ATOM 0 HH12 ARG A 44 -25.297 -14.554 8.328 1.00 33.33 H new ATOM 0 HH21 ARG A 44 -28.371 -15.779 7.098 1.00 23.54 H new ATOM 0 HH22 ARG A 44 -27.168 -14.489 6.998 1.00 23.54 H new ATOM 678 N SER A 45 -28.356 -21.338 6.924 1.00 20.53 N ATOM 679 CA SER A 45 -28.066 -21.586 5.514 1.00 5.15 C ATOM 680 C SER A 45 -27.997 -20.268 4.760 1.00 72.32 C ATOM 681 O SER A 45 -28.921 -19.449 4.824 1.00 4.10 O ATOM 682 CB SER A 45 -29.129 -22.512 4.904 1.00 43.33 C ATOM 683 OG SER A 45 -29.158 -23.765 5.572 1.00 24.12 O ATOM 0 H SER A 45 -29.184 -20.763 7.083 1.00 20.53 H new ATOM 0 HA SER A 45 -27.099 -22.083 5.432 1.00 5.15 H new ATOM 0 HB2 SER A 45 -30.109 -22.039 4.969 1.00 43.33 H new ATOM 0 HB3 SER A 45 -28.918 -22.665 3.846 1.00 43.33 H new ATOM 0 HG SER A 45 -29.844 -24.336 5.167 1.00 24.12 H new ATOM 689 N LEU A 46 -26.887 -20.068 4.062 1.00 30.11 N ATOM 690 CA LEU A 46 -26.619 -18.823 3.362 1.00 41.30 C ATOM 691 C LEU A 46 -27.731 -18.467 2.371 1.00 52.25 C ATOM 692 O LEU A 46 -28.205 -19.323 1.618 1.00 65.25 O ATOM 693 CB LEU A 46 -25.277 -18.904 2.631 1.00 31.30 C ATOM 694 CG LEU A 46 -24.051 -18.489 3.457 1.00 40.51 C ATOM 695 CD1 LEU A 46 -22.793 -18.538 2.604 1.00 14.34 C ATOM 696 CD2 LEU A 46 -24.237 -17.092 4.050 1.00 11.43 C ATOM 0 H LEU A 46 -26.149 -20.765 3.966 1.00 30.11 H new ATOM 0 HA LEU A 46 -26.580 -18.033 4.112 1.00 41.30 H new ATOM 0 HB2 LEU A 46 -25.132 -19.928 2.286 1.00 31.30 H new ATOM 0 HB3 LEU A 46 -25.327 -18.273 1.744 1.00 31.30 H new ATOM 0 HG LEU A 46 -23.944 -19.196 4.280 1.00 40.51 H new ATOM 0 HD11 LEU A 46 -21.934 -18.241 3.205 1.00 14.34 H new ATOM 0 HD12 LEU A 46 -22.644 -19.552 2.234 1.00 14.34 H new ATOM 0 HD13 LEU A 46 -22.899 -17.856 1.760 1.00 14.34 H new ATOM 0 HD21 LEU A 46 -23.354 -16.823 4.630 1.00 11.43 H new ATOM 0 HD22 LEU A 46 -24.376 -16.371 3.245 1.00 11.43 H new ATOM 0 HD23 LEU A 46 -25.113 -17.086 4.698 1.00 11.43 H new ATOM 708 N PRO A 47 -28.153 -17.188 2.374 1.00 40.22 N ATOM 709 CA PRO A 47 -29.171 -16.680 1.448 1.00 35.22 C ATOM 710 C PRO A 47 -28.688 -16.677 -0.005 1.00 3.22 C ATOM 711 O PRO A 47 -27.478 -16.626 -0.281 1.00 43.43 O ATOM 712 CB PRO A 47 -29.431 -15.247 1.945 1.00 55.23 C ATOM 713 CG PRO A 47 -28.191 -14.869 2.683 1.00 33.22 C ATOM 714 CD PRO A 47 -27.672 -16.141 3.297 1.00 72.34 C ATOM 0 HA PRO A 47 -30.065 -17.304 1.442 1.00 35.22 H new ATOM 0 HB2 PRO A 47 -29.619 -14.568 1.113 1.00 55.23 H new ATOM 0 HB3 PRO A 47 -30.306 -15.206 2.594 1.00 55.23 H new ATOM 0 HG2 PRO A 47 -27.454 -14.431 2.010 1.00 33.22 H new ATOM 0 HG3 PRO A 47 -28.405 -14.124 3.450 1.00 33.22 H new ATOM 0 HD2 PRO A 47 -26.584 -16.138 3.369 1.00 72.34 H new ATOM 0 HD3 PRO A 47 -28.058 -16.287 4.306 1.00 72.34 H new ATOM 722 N ALA A 48 -29.651 -16.730 -0.924 1.00 24.10 N ATOM 723 CA ALA A 48 -29.372 -16.765 -2.355 1.00 45.31 C ATOM 724 C ALA A 48 -28.408 -15.651 -2.745 1.00 10.30 C ATOM 725 O ALA A 48 -28.651 -14.478 -2.455 1.00 50.42 O ATOM 726 CB ALA A 48 -30.669 -16.650 -3.152 1.00 71.43 C ATOM 0 H ALA A 48 -30.645 -16.750 -0.696 1.00 24.10 H new ATOM 0 HA ALA A 48 -28.902 -17.720 -2.589 1.00 45.31 H new ATOM 0 HB1 ALA A 48 -30.444 -16.678 -4.218 1.00 71.43 H new ATOM 0 HB2 ALA A 48 -31.327 -17.481 -2.898 1.00 71.43 H new ATOM 0 HB3 ALA A 48 -31.163 -15.709 -2.909 1.00 71.43 H new ATOM 732 N GLY A 49 -27.310 -16.030 -3.380 1.00 61.20 N ATOM 733 CA GLY A 49 -26.293 -15.072 -3.769 1.00 60.31 C ATOM 734 C GLY A 49 -24.979 -15.308 -3.051 1.00 71.01 C ATOM 735 O GLY A 49 -23.914 -15.024 -3.599 1.00 13.20 O ATOM 0 H GLY A 49 -27.102 -16.995 -3.636 1.00 61.20 H new ATOM 0 HA2 GLY A 49 -26.133 -15.132 -4.845 1.00 60.31 H new ATOM 0 HA3 GLY A 49 -26.646 -14.063 -3.555 1.00 60.31 H new ATOM 739 N TRP A 50 -25.049 -15.837 -1.828 1.00 52.24 N ATOM 740 CA TRP A 50 -23.847 -16.133 -1.040 1.00 31.12 C ATOM 741 C TRP A 50 -23.408 -17.585 -1.257 1.00 32.34 C ATOM 742 O TRP A 50 -24.246 -18.455 -1.503 1.00 34.24 O ATOM 743 CB TRP A 50 -24.124 -15.899 0.452 1.00 51.44 C ATOM 744 CG TRP A 50 -24.379 -14.463 0.817 1.00 52.31 C ATOM 745 CD1 TRP A 50 -25.406 -13.668 0.387 1.00 43.21 C ATOM 746 CD2 TRP A 50 -23.600 -13.658 1.709 1.00 52.50 C ATOM 747 NE1 TRP A 50 -25.304 -12.420 0.951 1.00 1.04 N ATOM 748 CE2 TRP A 50 -24.204 -12.388 1.767 1.00 0.44 C ATOM 749 CE3 TRP A 50 -22.448 -13.888 2.465 1.00 71.24 C ATOM 750 CZ2 TRP A 50 -23.696 -11.355 2.549 1.00 41.50 C ATOM 751 CZ3 TRP A 50 -21.943 -12.861 3.240 1.00 43.03 C ATOM 752 CH2 TRP A 50 -22.568 -11.607 3.279 1.00 53.43 C ATOM 0 H TRP A 50 -25.925 -16.070 -1.360 1.00 52.24 H new ATOM 0 HA TRP A 50 -23.048 -15.468 -1.368 1.00 31.12 H new ATOM 0 HB2 TRP A 50 -24.987 -16.495 0.747 1.00 51.44 H new ATOM 0 HB3 TRP A 50 -23.274 -16.263 1.029 1.00 51.44 H new ATOM 0 HD1 TRP A 50 -26.183 -13.977 -0.296 1.00 43.21 H new ATOM 0 HE1 TRP A 50 -25.944 -11.642 0.789 1.00 1.04 H new ATOM 0 HE3 TRP A 50 -21.960 -14.851 2.444 1.00 71.24 H new ATOM 0 HZ2 TRP A 50 -24.176 -10.388 2.578 1.00 41.50 H new ATOM 0 HZ3 TRP A 50 -21.051 -13.028 3.826 1.00 43.03 H new ATOM 0 HH2 TRP A 50 -22.151 -10.826 3.897 1.00 53.43 H new ATOM 763 N GLU A 51 -22.097 -17.848 -1.187 1.00 31.52 N ATOM 764 CA GLU A 51 -21.589 -19.224 -1.243 1.00 65.54 C ATOM 765 C GLU A 51 -20.516 -19.471 -0.182 1.00 44.41 C ATOM 766 O GLU A 51 -19.814 -18.536 0.246 1.00 23.22 O ATOM 767 CB GLU A 51 -21.050 -19.590 -2.639 1.00 21.21 C ATOM 768 CG GLU A 51 -19.979 -18.648 -3.193 1.00 31.04 C ATOM 769 CD GLU A 51 -20.555 -17.453 -3.938 1.00 61.44 C ATOM 770 OE1 GLU A 51 -21.726 -17.521 -4.373 1.00 2.31 O ATOM 771 OE2 GLU A 51 -19.827 -16.462 -4.141 1.00 74.23 O ATOM 0 H GLU A 51 -21.375 -17.134 -1.092 1.00 31.52 H new ATOM 0 HA GLU A 51 -22.439 -19.873 -1.033 1.00 65.54 H new ATOM 0 HB2 GLU A 51 -20.638 -20.598 -2.599 1.00 21.21 H new ATOM 0 HB3 GLU A 51 -21.886 -19.615 -3.338 1.00 21.21 H new ATOM 0 HG2 GLU A 51 -19.359 -18.290 -2.371 1.00 31.04 H new ATOM 0 HG3 GLU A 51 -19.327 -19.206 -3.865 1.00 31.04 H new ATOM 778 N THR A 52 -20.410 -20.746 0.221 1.00 32.54 N ATOM 779 CA THR A 52 -19.489 -21.187 1.266 1.00 63.35 C ATOM 780 C THR A 52 -18.214 -21.792 0.672 1.00 21.15 C ATOM 781 O THR A 52 -18.197 -22.225 -0.481 1.00 10.23 O ATOM 782 CB THR A 52 -20.159 -22.235 2.188 1.00 43.32 C ATOM 783 OG1 THR A 52 -20.780 -23.263 1.398 1.00 14.24 O ATOM 784 CG2 THR A 52 -21.204 -21.596 3.094 1.00 41.04 C ATOM 0 H THR A 52 -20.968 -21.502 -0.176 1.00 32.54 H new ATOM 0 HA THR A 52 -19.225 -20.304 1.848 1.00 63.35 H new ATOM 0 HB THR A 52 -19.379 -22.669 2.814 1.00 43.32 H new ATOM 0 HG1 THR A 52 -21.199 -23.922 1.990 1.00 14.24 H new ATOM 0 HG21 THR A 52 -21.653 -22.361 3.727 1.00 41.04 H new ATOM 0 HG22 THR A 52 -20.730 -20.840 3.720 1.00 41.04 H new ATOM 0 HG23 THR A 52 -21.978 -21.129 2.484 1.00 41.04 H new ATOM 792 N VAL A 53 -17.171 -21.834 1.499 1.00 23.41 N ATOM 793 CA VAL A 53 -15.827 -22.280 1.120 1.00 22.34 C ATOM 794 C VAL A 53 -14.962 -22.432 2.374 1.00 44.25 C ATOM 795 O VAL A 53 -15.318 -21.941 3.457 1.00 74.21 O ATOM 796 CB VAL A 53 -15.110 -21.288 0.142 1.00 51.30 C ATOM 797 CG1 VAL A 53 -15.387 -21.641 -1.320 1.00 62.24 C ATOM 798 CG2 VAL A 53 -15.513 -19.839 0.425 1.00 31.43 C ATOM 0 H VAL A 53 -17.237 -21.552 2.477 1.00 23.41 H new ATOM 0 HA VAL A 53 -15.947 -23.233 0.605 1.00 22.34 H new ATOM 0 HB VAL A 53 -14.039 -21.386 0.316 1.00 51.30 H new ATOM 0 HG11 VAL A 53 -14.874 -20.932 -1.969 1.00 62.24 H new ATOM 0 HG12 VAL A 53 -15.025 -22.648 -1.526 1.00 62.24 H new ATOM 0 HG13 VAL A 53 -16.460 -21.595 -1.509 1.00 62.24 H new ATOM 0 HG21 VAL A 53 -14.998 -19.176 -0.270 1.00 31.43 H new ATOM 0 HG22 VAL A 53 -16.590 -19.730 0.301 1.00 31.43 H new ATOM 0 HG23 VAL A 53 -15.238 -19.578 1.447 1.00 31.43 H new ATOM 808 N GLY A 54 -13.833 -23.119 2.234 1.00 3.04 N ATOM 809 CA GLY A 54 -12.876 -23.214 3.321 1.00 22.23 C ATOM 810 C GLY A 54 -12.997 -24.498 4.114 1.00 33.01 C ATOM 811 O GLY A 54 -13.544 -25.489 3.630 1.00 72.20 O ATOM 0 H GLY A 54 -13.563 -23.613 1.384 1.00 3.04 H new ATOM 0 HA2 GLY A 54 -11.867 -23.139 2.915 1.00 22.23 H new ATOM 0 HA3 GLY A 54 -13.013 -22.366 3.992 1.00 22.23 H new ATOM 815 N GLU A 55 -12.468 -24.470 5.331 1.00 4.43 N ATOM 816 CA GLU A 55 -12.531 -25.598 6.258 1.00 31.03 C ATOM 817 C GLU A 55 -13.415 -25.209 7.442 1.00 24.14 C ATOM 818 O GLU A 55 -13.214 -24.142 8.028 1.00 23.13 O ATOM 819 CB GLU A 55 -11.114 -25.953 6.744 1.00 24.22 C ATOM 820 CG GLU A 55 -11.066 -27.070 7.783 1.00 31.31 C ATOM 821 CD GLU A 55 -9.656 -27.338 8.300 1.00 15.13 C ATOM 822 OE1 GLU A 55 -9.249 -26.710 9.302 1.00 54.04 O ATOM 823 OE2 GLU A 55 -8.947 -28.179 7.710 1.00 72.41 O ATOM 0 H GLU A 55 -11.979 -23.658 5.707 1.00 4.43 H new ATOM 0 HA GLU A 55 -12.953 -26.470 5.758 1.00 31.03 H new ATOM 0 HB2 GLU A 55 -10.511 -26.246 5.885 1.00 24.22 H new ATOM 0 HB3 GLU A 55 -10.653 -25.060 7.167 1.00 24.22 H new ATOM 0 HG2 GLU A 55 -11.711 -26.808 8.621 1.00 31.31 H new ATOM 0 HG3 GLU A 55 -11.467 -27.984 7.345 1.00 31.31 H new ATOM 830 N PRO A 56 -14.423 -26.036 7.799 1.00 15.13 N ATOM 831 CA PRO A 56 -15.313 -25.727 8.922 1.00 1.52 C ATOM 832 C PRO A 56 -14.575 -25.801 10.254 1.00 72.40 C ATOM 833 O PRO A 56 -14.162 -26.879 10.693 1.00 53.12 O ATOM 834 CB PRO A 56 -16.401 -26.802 8.829 1.00 31.21 C ATOM 835 CG PRO A 56 -15.750 -27.943 8.119 1.00 3.01 C ATOM 836 CD PRO A 56 -14.778 -27.320 7.152 1.00 64.45 C ATOM 0 HA PRO A 56 -15.715 -24.715 8.873 1.00 1.52 H new ATOM 0 HB2 PRO A 56 -16.750 -27.099 9.818 1.00 31.21 H new ATOM 0 HB3 PRO A 56 -17.270 -26.439 8.281 1.00 31.21 H new ATOM 0 HG2 PRO A 56 -15.237 -28.600 8.821 1.00 3.01 H new ATOM 0 HG3 PRO A 56 -16.488 -28.551 7.595 1.00 3.01 H new ATOM 0 HD2 PRO A 56 -13.901 -27.950 7.002 1.00 64.45 H new ATOM 0 HD3 PRO A 56 -15.230 -27.165 6.172 1.00 64.45 H new ATOM 844 N ALA A 57 -14.412 -24.650 10.890 1.00 33.55 N ATOM 845 CA ALA A 57 -13.643 -24.554 12.126 1.00 55.44 C ATOM 846 C ALA A 57 -14.052 -23.307 12.895 1.00 31.23 C ATOM 847 O ALA A 57 -14.706 -22.428 12.342 1.00 52.10 O ATOM 848 CB ALA A 57 -12.146 -24.545 11.826 1.00 52.45 C ATOM 0 H ALA A 57 -14.804 -23.764 10.570 1.00 33.55 H new ATOM 0 HA ALA A 57 -13.855 -25.427 12.744 1.00 55.44 H new ATOM 0 HB1 ALA A 57 -11.588 -24.473 12.760 1.00 52.45 H new ATOM 0 HB2 ALA A 57 -11.873 -25.466 11.310 1.00 52.45 H new ATOM 0 HB3 ALA A 57 -11.907 -23.690 11.194 1.00 52.45 H new ATOM 854 N THR A 58 -13.658 -23.221 14.160 1.00 61.34 N ATOM 855 CA THR A 58 -14.102 -22.131 15.021 1.00 41.54 C ATOM 856 C THR A 58 -13.591 -20.776 14.511 1.00 53.23 C ATOM 857 O THR A 58 -12.715 -20.709 13.640 1.00 72.34 O ATOM 858 CB THR A 58 -13.670 -22.354 16.495 1.00 32.00 C ATOM 859 OG1 THR A 58 -14.473 -21.545 17.370 1.00 12.31 O ATOM 860 CG2 THR A 58 -12.191 -22.026 16.703 1.00 4.31 C ATOM 0 H THR A 58 -13.034 -23.890 14.611 1.00 61.34 H new ATOM 0 HA THR A 58 -15.191 -22.121 14.989 1.00 41.54 H new ATOM 0 HB THR A 58 -13.819 -23.408 16.729 1.00 32.00 H new ATOM 0 HG1 THR A 58 -14.196 -21.693 18.298 1.00 12.31 H new ATOM 0 HG21 THR A 58 -11.924 -22.194 17.746 1.00 4.31 H new ATOM 0 HG22 THR A 58 -11.583 -22.668 16.065 1.00 4.31 H new ATOM 0 HG23 THR A 58 -12.010 -20.982 16.446 1.00 4.31 H new ATOM 868 N LYS A 59 -14.138 -19.708 15.085 1.00 20.01 N ATOM 869 CA LYS A 59 -13.886 -18.337 14.638 1.00 44.32 C ATOM 870 C LYS A 59 -12.386 -18.058 14.462 1.00 75.31 C ATOM 871 O LYS A 59 -11.960 -17.571 13.408 1.00 55.41 O ATOM 872 CB LYS A 59 -14.503 -17.365 15.655 1.00 22.43 C ATOM 873 CG LYS A 59 -14.421 -15.888 15.276 1.00 75.31 C ATOM 874 CD LYS A 59 -15.151 -15.574 13.970 1.00 22.03 C ATOM 875 CE LYS A 59 -15.470 -14.086 13.849 1.00 60.14 C ATOM 876 NZ LYS A 59 -14.262 -13.225 13.990 1.00 44.44 N ATOM 0 H LYS A 59 -14.774 -19.768 15.880 1.00 20.01 H new ATOM 0 HA LYS A 59 -14.348 -18.197 13.661 1.00 44.32 H new ATOM 0 HB2 LYS A 59 -15.551 -17.630 15.797 1.00 22.43 H new ATOM 0 HB3 LYS A 59 -14.006 -17.505 16.615 1.00 22.43 H new ATOM 0 HG2 LYS A 59 -14.847 -15.287 16.079 1.00 75.31 H new ATOM 0 HG3 LYS A 59 -13.374 -15.599 15.181 1.00 75.31 H new ATOM 0 HD2 LYS A 59 -14.537 -15.885 13.125 1.00 22.03 H new ATOM 0 HD3 LYS A 59 -16.075 -16.150 13.921 1.00 22.03 H new ATOM 0 HE2 LYS A 59 -15.936 -13.896 12.882 1.00 60.14 H new ATOM 0 HE3 LYS A 59 -16.198 -13.811 14.613 1.00 60.14 H new ATOM 0 HZ1 LYS A 59 -14.549 -12.226 14.019 1.00 44.44 H new ATOM 0 HZ2 LYS A 59 -13.764 -13.467 14.870 1.00 44.44 H new ATOM 0 HZ3 LYS A 59 -13.629 -13.380 13.180 1.00 44.44 H new ATOM 890 N GLN A 60 -11.600 -18.390 15.491 1.00 12.52 N ATOM 891 CA GLN A 60 -10.153 -18.140 15.491 1.00 60.11 C ATOM 892 C GLN A 60 -9.484 -18.735 14.246 1.00 73.42 C ATOM 893 O GLN A 60 -8.615 -18.112 13.636 1.00 12.21 O ATOM 894 CB GLN A 60 -9.515 -18.728 16.760 1.00 71.20 C ATOM 895 CG GLN A 60 -8.017 -18.459 16.882 1.00 21.32 C ATOM 896 CD GLN A 60 -7.381 -19.098 18.108 1.00 4.32 C ATOM 897 OE1 GLN A 60 -6.209 -19.466 18.089 1.00 72.30 O ATOM 898 NE2 GLN A 60 -8.140 -19.228 19.187 1.00 42.31 N ATOM 0 H GLN A 60 -11.944 -18.836 16.341 1.00 12.52 H new ATOM 0 HA GLN A 60 -9.999 -17.061 15.475 1.00 60.11 H new ATOM 0 HB2 GLN A 60 -10.020 -18.316 17.633 1.00 71.20 H new ATOM 0 HB3 GLN A 60 -9.683 -19.805 16.774 1.00 71.20 H new ATOM 0 HG2 GLN A 60 -7.516 -18.830 15.988 1.00 21.32 H new ATOM 0 HG3 GLN A 60 -7.851 -17.382 16.917 1.00 21.32 H new ATOM 0 HE21 GLN A 60 -9.110 -18.912 19.170 1.00 42.31 H new ATOM 0 HE22 GLN A 60 -7.754 -19.644 20.035 1.00 42.31 H new ATOM 907 N GLN A 61 -9.902 -19.939 13.875 1.00 11.51 N ATOM 908 CA GLN A 61 -9.340 -20.626 12.716 1.00 25.23 C ATOM 909 C GLN A 61 -9.824 -19.979 11.425 1.00 25.12 C ATOM 910 O GLN A 61 -9.046 -19.743 10.494 1.00 72.45 O ATOM 911 CB GLN A 61 -9.743 -22.105 12.731 1.00 32.13 C ATOM 912 CG GLN A 61 -9.151 -22.897 13.888 1.00 4.10 C ATOM 913 CD GLN A 61 -7.647 -23.055 13.776 1.00 71.32 C ATOM 914 OE1 GLN A 61 -6.882 -22.237 14.284 1.00 3.32 O ATOM 915 NE2 GLN A 61 -7.214 -24.105 13.095 1.00 15.31 N ATOM 0 H GLN A 61 -10.630 -20.462 14.361 1.00 11.51 H new ATOM 0 HA GLN A 61 -8.254 -20.548 12.765 1.00 25.23 H new ATOM 0 HB2 GLN A 61 -10.830 -22.174 12.775 1.00 32.13 H new ATOM 0 HB3 GLN A 61 -9.432 -22.565 11.793 1.00 32.13 H new ATOM 0 HG2 GLN A 61 -9.391 -22.397 14.826 1.00 4.10 H new ATOM 0 HG3 GLN A 61 -9.615 -23.883 13.924 1.00 4.10 H new ATOM 0 HE21 GLN A 61 -7.882 -24.760 12.689 1.00 15.31 H new ATOM 0 HE22 GLN A 61 -6.213 -24.258 12.976 1.00 15.31 H new ATOM 924 N CYS A 62 -11.118 -19.682 11.391 1.00 12.43 N ATOM 925 CA CYS A 62 -11.764 -19.186 10.185 1.00 63.15 C ATOM 926 C CYS A 62 -11.132 -17.866 9.731 1.00 45.14 C ATOM 927 O CYS A 62 -10.809 -17.701 8.550 1.00 24.33 O ATOM 928 CB CYS A 62 -13.271 -19.023 10.425 1.00 43.44 C ATOM 929 SG CYS A 62 -14.276 -19.124 8.925 1.00 5.43 S ATOM 0 H CYS A 62 -11.743 -19.778 12.192 1.00 12.43 H new ATOM 0 HA CYS A 62 -11.618 -19.913 9.386 1.00 63.15 H new ATOM 0 HB2 CYS A 62 -13.602 -19.792 11.123 1.00 43.44 H new ATOM 0 HB3 CYS A 62 -13.449 -18.060 10.904 1.00 43.44 H new ATOM 0 HG CYS A 62 -14.622 -20.360 8.717 1.00 5.43 H new ATOM 935 N LEU A 63 -10.932 -16.934 10.674 1.00 32.10 N ATOM 936 CA LEU A 63 -10.313 -15.647 10.341 1.00 54.21 C ATOM 937 C LEU A 63 -8.847 -15.829 9.955 1.00 45.12 C ATOM 938 O LEU A 63 -8.366 -15.217 9.001 1.00 0.30 O ATOM 939 CB LEU A 63 -10.464 -14.625 11.493 1.00 51.43 C ATOM 940 CG LEU A 63 -10.109 -15.117 12.916 1.00 12.23 C ATOM 941 CD1 LEU A 63 -8.610 -15.031 13.191 1.00 32.23 C ATOM 942 CD2 LEU A 63 -10.891 -14.334 13.968 1.00 43.32 C ATOM 0 H LEU A 63 -11.185 -17.045 11.656 1.00 32.10 H new ATOM 0 HA LEU A 63 -10.842 -15.243 9.478 1.00 54.21 H new ATOM 0 HB2 LEU A 63 -9.837 -13.763 11.266 1.00 51.43 H new ATOM 0 HB3 LEU A 63 -11.496 -14.275 11.503 1.00 51.43 H new ATOM 0 HG LEU A 63 -10.394 -16.167 12.976 1.00 12.23 H new ATOM 0 HD11 LEU A 63 -8.404 -15.386 14.201 1.00 32.23 H new ATOM 0 HD12 LEU A 63 -8.072 -15.649 12.472 1.00 32.23 H new ATOM 0 HD13 LEU A 63 -8.282 -13.996 13.096 1.00 32.23 H new ATOM 0 HD21 LEU A 63 -10.627 -14.696 14.962 1.00 43.32 H new ATOM 0 HD22 LEU A 63 -10.646 -13.275 13.890 1.00 43.32 H new ATOM 0 HD23 LEU A 63 -11.960 -14.472 13.804 1.00 43.32 H new ATOM 954 N GLN A 64 -8.152 -16.698 10.683 1.00 23.35 N ATOM 955 CA GLN A 64 -6.736 -16.956 10.440 1.00 61.05 C ATOM 956 C GLN A 64 -6.526 -17.504 9.031 1.00 42.03 C ATOM 957 O GLN A 64 -5.545 -17.179 8.360 1.00 43.03 O ATOM 958 CB GLN A 64 -6.204 -17.941 11.492 1.00 61.12 C ATOM 959 CG GLN A 64 -4.738 -18.304 11.326 1.00 33.54 C ATOM 960 CD GLN A 64 -4.228 -19.183 12.452 1.00 74.01 C ATOM 961 OE1 GLN A 64 -3.724 -18.689 13.464 1.00 25.14 O ATOM 962 NE2 GLN A 64 -4.365 -20.490 12.291 1.00 60.21 N ATOM 0 H GLN A 64 -8.550 -17.239 11.451 1.00 23.35 H new ATOM 0 HA GLN A 64 -6.183 -16.020 10.522 1.00 61.05 H new ATOM 0 HB2 GLN A 64 -6.349 -17.510 12.482 1.00 61.12 H new ATOM 0 HB3 GLN A 64 -6.799 -18.854 11.451 1.00 61.12 H new ATOM 0 HG2 GLN A 64 -4.600 -18.819 10.376 1.00 33.54 H new ATOM 0 HG3 GLN A 64 -4.143 -17.392 11.283 1.00 33.54 H new ATOM 0 HE21 GLN A 64 -4.787 -20.857 11.438 1.00 60.21 H new ATOM 0 HE22 GLN A 64 -4.048 -21.130 13.020 1.00 60.21 H new ATOM 971 N ARG A 65 -7.479 -18.312 8.573 1.00 40.34 N ATOM 972 CA ARG A 65 -7.384 -18.936 7.258 1.00 13.52 C ATOM 973 C ARG A 65 -7.358 -17.881 6.157 1.00 14.24 C ATOM 974 O ARG A 65 -6.451 -17.857 5.332 1.00 44.41 O ATOM 975 CB ARG A 65 -8.560 -19.893 7.024 1.00 2.22 C ATOM 976 CG ARG A 65 -8.582 -20.491 5.619 1.00 23.32 C ATOM 977 CD ARG A 65 -9.881 -21.230 5.336 1.00 54.45 C ATOM 978 NE ARG A 65 -9.985 -21.640 3.935 1.00 65.22 N ATOM 979 CZ ARG A 65 -10.367 -20.832 2.939 1.00 14.34 C ATOM 980 NH1 ARG A 65 -10.638 -19.551 3.174 1.00 74.43 N ATOM 981 NH2 ARG A 65 -10.465 -21.310 1.712 1.00 73.25 N ATOM 0 H ARG A 65 -8.324 -18.549 9.093 1.00 40.34 H new ATOM 0 HA ARG A 65 -6.453 -19.502 7.227 1.00 13.52 H new ATOM 0 HB2 ARG A 65 -8.513 -20.701 7.754 1.00 2.22 H new ATOM 0 HB3 ARG A 65 -9.494 -19.359 7.199 1.00 2.22 H new ATOM 0 HG2 ARG A 65 -8.449 -19.697 4.885 1.00 23.32 H new ATOM 0 HG3 ARG A 65 -7.742 -21.176 5.503 1.00 23.32 H new ATOM 0 HD2 ARG A 65 -9.945 -22.110 5.977 1.00 54.45 H new ATOM 0 HD3 ARG A 65 -10.725 -20.589 5.590 1.00 54.45 H new ATOM 0 HE ARG A 65 -9.751 -22.605 3.702 1.00 65.22 H new ATOM 0 HH11 ARG A 65 -10.555 -19.177 4.119 1.00 74.43 H new ATOM 0 HH12 ARG A 65 -10.928 -18.942 2.409 1.00 74.43 H new ATOM 0 HH21 ARG A 65 -10.250 -22.290 1.528 1.00 73.25 H new ATOM 0 HH22 ARG A 65 -10.756 -20.699 0.948 1.00 73.25 H new ATOM 995 N ILE A 66 -8.347 -16.995 6.160 1.00 5.32 N ATOM 996 CA ILE A 66 -8.484 -16.009 5.091 1.00 74.32 C ATOM 997 C ILE A 66 -7.370 -14.966 5.150 1.00 34.13 C ATOM 998 O ILE A 66 -6.898 -14.490 4.113 1.00 70.50 O ATOM 999 CB ILE A 66 -9.862 -15.304 5.126 1.00 74.43 C ATOM 1000 CG1 ILE A 66 -10.141 -14.718 6.517 1.00 1.20 C ATOM 1001 CG2 ILE A 66 -10.969 -16.273 4.717 1.00 14.24 C ATOM 1002 CD1 ILE A 66 -11.394 -13.868 6.575 1.00 42.21 C ATOM 0 H ILE A 66 -9.062 -16.938 6.885 1.00 5.32 H new ATOM 0 HA ILE A 66 -8.405 -16.557 4.152 1.00 74.32 H new ATOM 0 HB ILE A 66 -9.843 -14.482 4.411 1.00 74.43 H new ATOM 0 HG12 ILE A 66 -10.231 -15.534 7.235 1.00 1.20 H new ATOM 0 HG13 ILE A 66 -9.288 -14.114 6.826 1.00 1.20 H new ATOM 0 HG21 ILE A 66 -11.931 -15.761 4.747 1.00 14.24 H new ATOM 0 HG22 ILE A 66 -10.782 -16.634 3.706 1.00 14.24 H new ATOM 0 HG23 ILE A 66 -10.986 -17.118 5.406 1.00 14.24 H new ATOM 0 HD11 ILE A 66 -11.529 -13.487 7.587 1.00 42.21 H new ATOM 0 HD12 ILE A 66 -11.299 -13.032 5.882 1.00 42.21 H new ATOM 0 HD13 ILE A 66 -12.257 -14.473 6.297 1.00 42.21 H new ATOM 1014 N GLU A 67 -6.942 -14.627 6.360 1.00 53.30 N ATOM 1015 CA GLU A 67 -5.890 -13.639 6.549 1.00 71.01 C ATOM 1016 C GLU A 67 -4.565 -14.136 5.975 1.00 51.43 C ATOM 1017 O GLU A 67 -3.978 -13.487 5.115 1.00 55.34 O ATOM 1018 CB GLU A 67 -5.735 -13.293 8.034 1.00 61.10 C ATOM 1019 CG GLU A 67 -6.928 -12.544 8.622 1.00 14.42 C ATOM 1020 CD GLU A 67 -7.155 -11.186 7.975 1.00 33.42 C ATOM 1021 OE1 GLU A 67 -6.577 -10.189 8.453 1.00 24.22 O ATOM 1022 OE2 GLU A 67 -7.912 -11.103 6.984 1.00 43.23 O ATOM 0 H GLU A 67 -7.309 -15.023 7.226 1.00 53.30 H new ATOM 0 HA GLU A 67 -6.176 -12.735 6.011 1.00 71.01 H new ATOM 0 HB2 GLU A 67 -5.583 -14.214 8.598 1.00 61.10 H new ATOM 0 HB3 GLU A 67 -4.838 -12.687 8.164 1.00 61.10 H new ATOM 0 HG2 GLU A 67 -7.825 -13.151 8.504 1.00 14.42 H new ATOM 0 HG3 GLU A 67 -6.773 -12.409 9.693 1.00 14.42 H new ATOM 1029 N GLN A 68 -4.118 -15.307 6.415 1.00 2.11 N ATOM 1030 CA GLN A 68 -2.805 -15.824 6.017 1.00 35.25 C ATOM 1031 C GLN A 68 -2.788 -16.257 4.545 1.00 3.20 C ATOM 1032 O GLN A 68 -1.775 -16.750 4.047 1.00 2.44 O ATOM 1033 CB GLN A 68 -2.394 -16.988 6.929 1.00 75.11 C ATOM 1034 CG GLN A 68 -2.486 -16.644 8.414 1.00 72.43 C ATOM 1035 CD GLN A 68 -1.928 -17.723 9.324 1.00 64.25 C ATOM 1036 OE1 GLN A 68 -1.902 -18.906 8.977 1.00 23.20 O ATOM 1037 NE2 GLN A 68 -1.510 -17.327 10.516 1.00 13.54 N ATOM 0 H GLN A 68 -4.639 -15.917 7.045 1.00 2.11 H new ATOM 0 HA GLN A 68 -2.081 -15.016 6.127 1.00 35.25 H new ATOM 0 HB2 GLN A 68 -3.031 -17.848 6.721 1.00 75.11 H new ATOM 0 HB3 GLN A 68 -1.372 -17.284 6.693 1.00 75.11 H new ATOM 0 HG2 GLN A 68 -1.949 -15.713 8.597 1.00 72.43 H new ATOM 0 HG3 GLN A 68 -3.530 -16.466 8.673 1.00 72.43 H new ATOM 0 HE21 GLN A 68 -1.547 -16.339 10.767 1.00 13.54 H new ATOM 0 HE22 GLN A 68 -1.151 -18.010 11.183 1.00 13.54 H new ATOM 1046 N LEU A 69 -3.914 -16.083 3.859 1.00 70.13 N ATOM 1047 CA LEU A 69 -4.015 -16.381 2.430 1.00 22.31 C ATOM 1048 C LEU A 69 -3.989 -15.098 1.599 1.00 33.43 C ATOM 1049 O LEU A 69 -3.082 -14.877 0.800 1.00 63.24 O ATOM 1050 CB LEU A 69 -5.289 -17.189 2.130 1.00 23.42 C ATOM 1051 CG LEU A 69 -5.302 -18.622 2.688 1.00 43.12 C ATOM 1052 CD1 LEU A 69 -6.634 -19.307 2.390 1.00 35.21 C ATOM 1053 CD2 LEU A 69 -4.138 -19.434 2.121 1.00 42.22 C ATOM 0 H LEU A 69 -4.778 -15.734 4.273 1.00 70.13 H new ATOM 0 HA LEU A 69 -3.150 -16.984 2.153 1.00 22.31 H new ATOM 0 HB2 LEU A 69 -6.145 -16.650 2.536 1.00 23.42 H new ATOM 0 HB3 LEU A 69 -5.424 -17.236 1.049 1.00 23.42 H new ATOM 0 HG LEU A 69 -5.183 -18.566 3.770 1.00 43.12 H new ATOM 0 HD11 LEU A 69 -6.621 -20.319 2.794 1.00 35.21 H new ATOM 0 HD12 LEU A 69 -7.445 -18.743 2.851 1.00 35.21 H new ATOM 0 HD13 LEU A 69 -6.789 -19.348 1.312 1.00 35.21 H new ATOM 0 HD21 LEU A 69 -4.166 -20.444 2.529 1.00 42.22 H new ATOM 0 HD22 LEU A 69 -4.220 -19.479 1.035 1.00 42.22 H new ATOM 0 HD23 LEU A 69 -3.196 -18.959 2.394 1.00 42.22 H new ATOM 1065 N TRP A 70 -5.008 -14.263 1.794 1.00 4.00 N ATOM 1066 CA TRP A 70 -5.176 -13.032 1.014 1.00 33.32 C ATOM 1067 C TRP A 70 -4.366 -11.889 1.634 1.00 14.11 C ATOM 1068 O TRP A 70 -3.656 -11.157 0.944 1.00 5.44 O ATOM 1069 CB TRP A 70 -6.671 -12.661 0.956 1.00 44.12 C ATOM 1070 CG TRP A 70 -7.018 -11.665 -0.117 1.00 4.32 C ATOM 1071 CD1 TRP A 70 -6.774 -10.321 -0.109 1.00 43.22 C ATOM 1072 CD2 TRP A 70 -7.685 -11.943 -1.357 1.00 25.42 C ATOM 1073 NE1 TRP A 70 -7.240 -9.749 -1.270 1.00 41.21 N ATOM 1074 CE2 TRP A 70 -7.805 -10.724 -2.050 1.00 11.33 C ATOM 1075 CE3 TRP A 70 -8.186 -13.106 -1.946 1.00 42.41 C ATOM 1076 CZ2 TRP A 70 -8.410 -10.639 -3.306 1.00 23.42 C ATOM 1077 CZ3 TRP A 70 -8.786 -13.021 -3.189 1.00 45.11 C ATOM 1078 CH2 TRP A 70 -8.892 -11.796 -3.859 1.00 22.44 C ATOM 0 H TRP A 70 -5.737 -14.416 2.491 1.00 4.00 H new ATOM 0 HA TRP A 70 -4.808 -13.198 0.002 1.00 33.32 H new ATOM 0 HB2 TRP A 70 -7.253 -13.569 0.796 1.00 44.12 H new ATOM 0 HB3 TRP A 70 -6.971 -12.256 1.923 1.00 44.12 H new ATOM 0 HD1 TRP A 70 -6.286 -9.786 0.692 1.00 43.22 H new ATOM 0 HE1 TRP A 70 -7.176 -8.760 -1.511 1.00 41.21 H new ATOM 0 HE3 TRP A 70 -8.106 -14.056 -1.439 1.00 42.41 H new ATOM 0 HZ2 TRP A 70 -8.495 -9.695 -3.823 1.00 23.42 H new ATOM 0 HZ3 TRP A 70 -9.179 -13.914 -3.651 1.00 45.11 H new ATOM 0 HH2 TRP A 70 -9.363 -11.763 -4.830 1.00 22.44 H new ATOM 1089 N THR A 71 -4.493 -11.755 2.948 1.00 54.12 N ATOM 1090 CA THR A 71 -3.845 -10.695 3.712 1.00 14.01 C ATOM 1091 C THR A 71 -2.377 -11.037 3.995 1.00 15.51 C ATOM 1092 O THR A 71 -1.619 -10.194 4.474 1.00 20.13 O ATOM 1093 CB THR A 71 -4.600 -10.457 5.042 1.00 13.44 C ATOM 1094 OG1 THR A 71 -6.014 -10.391 4.791 1.00 21.02 O ATOM 1095 CG2 THR A 71 -4.153 -9.168 5.721 1.00 55.35 C ATOM 0 H THR A 71 -5.055 -12.386 3.520 1.00 54.12 H new ATOM 0 HA THR A 71 -3.874 -9.783 3.116 1.00 14.01 H new ATOM 0 HB THR A 71 -4.371 -11.290 5.706 1.00 13.44 H new ATOM 0 HG1 THR A 71 -6.502 -10.669 5.594 1.00 21.02 H new ATOM 0 HG21 THR A 71 -4.706 -9.036 6.651 1.00 55.35 H new ATOM 0 HG22 THR A 71 -3.086 -9.222 5.937 1.00 55.35 H new ATOM 0 HG23 THR A 71 -4.347 -8.323 5.061 1.00 55.35 H new ATOM 1103 N ASP A 72 -2.003 -12.293 3.712 1.00 23.54 N ATOM 1104 CA ASP A 72 -0.699 -12.862 4.100 1.00 73.31 C ATOM 1105 C ASP A 72 0.467 -11.888 3.893 1.00 64.32 C ATOM 1106 O ASP A 72 1.447 -11.928 4.642 1.00 42.51 O ATOM 1107 CB ASP A 72 -0.417 -14.142 3.297 1.00 14.44 C ATOM 1108 CG ASP A 72 0.232 -13.875 1.942 1.00 72.24 C ATOM 1109 OD1 ASP A 72 -0.410 -13.244 1.078 1.00 35.04 O ATOM 1110 OD2 ASP A 72 1.399 -14.286 1.742 1.00 33.45 O ATOM 0 H ASP A 72 -2.598 -12.948 3.205 1.00 23.54 H new ATOM 0 HA ASP A 72 -0.768 -13.080 5.166 1.00 73.31 H new ATOM 0 HB2 ASP A 72 0.233 -14.793 3.881 1.00 14.44 H new ATOM 0 HB3 ASP A 72 -1.353 -14.680 3.144 1.00 14.44 H new ATOM 1115 N MET A 73 0.374 -11.046 2.867 1.00 3.33 N ATOM 1116 CA MET A 73 1.410 -10.053 2.586 1.00 42.30 C ATOM 1117 C MET A 73 1.552 -9.071 3.751 1.00 21.21 C ATOM 1118 O MET A 73 0.912 -8.017 3.786 1.00 61.04 O ATOM 1119 CB MET A 73 1.118 -9.302 1.278 1.00 75.02 C ATOM 1120 CG MET A 73 1.198 -10.181 0.037 1.00 60.21 C ATOM 1121 SD MET A 73 0.980 -9.251 -1.495 1.00 34.12 S ATOM 1122 CE MET A 73 -0.703 -8.664 -1.303 1.00 71.41 C ATOM 0 H MET A 73 -0.410 -11.031 2.214 1.00 3.33 H new ATOM 0 HA MET A 73 2.355 -10.583 2.466 1.00 42.30 H new ATOM 0 HB2 MET A 73 0.123 -8.861 1.337 1.00 75.02 H new ATOM 0 HB3 MET A 73 1.826 -8.479 1.176 1.00 75.02 H new ATOM 0 HG2 MET A 73 2.164 -10.685 0.016 1.00 60.21 H new ATOM 0 HG3 MET A 73 0.435 -10.957 0.097 1.00 60.21 H new ATOM 0 HE1 MET A 73 -1.075 -8.307 -2.263 1.00 71.41 H new ATOM 0 HE2 MET A 73 -1.334 -9.479 -0.949 1.00 71.41 H new ATOM 0 HE3 MET A 73 -0.724 -7.849 -0.580 1.00 71.41 H new ATOM 1132 N VAL A 74 2.385 -9.452 4.711 1.00 33.41 N ATOM 1133 CA VAL A 74 2.643 -8.653 5.902 1.00 45.22 C ATOM 1134 C VAL A 74 3.851 -7.729 5.688 1.00 1.21 C ATOM 1135 O VAL A 74 4.876 -8.155 5.153 1.00 54.40 O ATOM 1136 CB VAL A 74 2.878 -9.572 7.134 1.00 10.10 C ATOM 1137 CG1 VAL A 74 3.905 -10.659 6.816 1.00 23.42 C ATOM 1138 CG2 VAL A 74 3.300 -8.764 8.365 1.00 71.12 C ATOM 0 H VAL A 74 2.904 -10.330 4.685 1.00 33.41 H new ATOM 0 HA VAL A 74 1.766 -8.033 6.091 1.00 45.22 H new ATOM 0 HB VAL A 74 1.930 -10.057 7.368 1.00 10.10 H new ATOM 0 HG11 VAL A 74 4.052 -11.289 7.694 1.00 23.42 H new ATOM 0 HG12 VAL A 74 3.544 -11.269 5.988 1.00 23.42 H new ATOM 0 HG13 VAL A 74 4.852 -10.195 6.540 1.00 23.42 H new ATOM 0 HG21 VAL A 74 3.456 -9.438 9.207 1.00 71.12 H new ATOM 0 HG22 VAL A 74 4.227 -8.231 8.151 1.00 71.12 H new ATOM 0 HG23 VAL A 74 2.519 -8.046 8.615 1.00 71.12 H new ATOM 1148 N PRO A 75 3.734 -6.442 6.084 1.00 55.42 N ATOM 1149 CA PRO A 75 4.832 -5.465 5.967 1.00 60.35 C ATOM 1150 C PRO A 75 5.991 -5.772 6.933 1.00 72.13 C ATOM 1151 O PRO A 75 6.134 -6.905 7.397 1.00 1.32 O ATOM 1152 CB PRO A 75 4.161 -4.117 6.313 1.00 71.04 C ATOM 1153 CG PRO A 75 2.688 -4.380 6.288 1.00 45.31 C ATOM 1154 CD PRO A 75 2.519 -5.829 6.649 1.00 22.00 C ATOM 0 HA PRO A 75 5.286 -5.476 4.976 1.00 60.35 H new ATOM 0 HB2 PRO A 75 4.479 -3.762 7.293 1.00 71.04 H new ATOM 0 HB3 PRO A 75 4.434 -3.347 5.591 1.00 71.04 H new ATOM 0 HG2 PRO A 75 2.165 -3.738 6.997 1.00 45.31 H new ATOM 0 HG3 PRO A 75 2.271 -4.172 5.302 1.00 45.31 H new ATOM 0 HD2 PRO A 75 2.455 -5.974 7.727 1.00 22.00 H new ATOM 0 HD3 PRO A 75 1.612 -6.252 6.216 1.00 22.00 H new ATOM 1162 N ALA A 76 6.798 -4.746 7.240 1.00 51.25 N ATOM 1163 CA ALA A 76 7.994 -4.888 8.090 1.00 24.45 C ATOM 1164 C ALA A 76 7.712 -5.658 9.384 1.00 43.13 C ATOM 1165 O ALA A 76 8.620 -6.263 9.963 1.00 43.44 O ATOM 1166 CB ALA A 76 8.560 -3.512 8.424 1.00 60.32 C ATOM 0 H ALA A 76 6.642 -3.794 6.907 1.00 51.25 H new ATOM 0 HA ALA A 76 8.722 -5.467 7.522 1.00 24.45 H new ATOM 0 HB1 ALA A 76 9.444 -3.625 9.052 1.00 60.32 H new ATOM 0 HB2 ALA A 76 8.833 -2.998 7.503 1.00 60.32 H new ATOM 0 HB3 ALA A 76 7.808 -2.929 8.956 1.00 60.32 H new ATOM 1172 N SER A 77 6.453 -5.640 9.818 1.00 71.53 N ATOM 1173 CA SER A 77 6.036 -6.337 11.032 1.00 24.45 C ATOM 1174 C SER A 77 6.525 -7.791 11.024 1.00 52.41 C ATOM 1175 O SER A 77 6.840 -8.352 12.077 1.00 1.13 O ATOM 1176 CB SER A 77 4.507 -6.287 11.157 1.00 43.23 C ATOM 1177 OG SER A 77 4.060 -6.887 12.361 1.00 75.44 O ATOM 0 H SER A 77 5.699 -5.146 9.342 1.00 71.53 H new ATOM 0 HA SER A 77 6.482 -5.838 11.892 1.00 24.45 H new ATOM 0 HB2 SER A 77 4.173 -5.250 11.121 1.00 43.23 H new ATOM 0 HB3 SER A 77 4.055 -6.797 10.306 1.00 43.23 H new ATOM 0 HG SER A 77 3.621 -6.212 12.920 1.00 75.44 H new ATOM 1183 N VAL A 78 6.624 -8.381 9.831 1.00 50.43 N ATOM 1184 CA VAL A 78 7.076 -9.763 9.688 1.00 1.34 C ATOM 1185 C VAL A 78 8.410 -9.984 10.400 1.00 72.15 C ATOM 1186 O VAL A 78 8.548 -10.911 11.197 1.00 61.33 O ATOM 1187 CB VAL A 78 7.202 -10.180 8.196 1.00 12.41 C ATOM 1188 CG1 VAL A 78 8.169 -9.273 7.432 1.00 13.13 C ATOM 1189 CG2 VAL A 78 7.617 -11.648 8.073 1.00 22.14 C ATOM 0 H VAL A 78 6.396 -7.921 8.950 1.00 50.43 H new ATOM 0 HA VAL A 78 6.317 -10.391 10.155 1.00 1.34 H new ATOM 0 HB VAL A 78 6.218 -10.063 7.741 1.00 12.41 H new ATOM 0 HG11 VAL A 78 8.229 -9.598 6.393 1.00 13.13 H new ATOM 0 HG12 VAL A 78 7.810 -8.244 7.470 1.00 13.13 H new ATOM 0 HG13 VAL A 78 9.158 -9.330 7.887 1.00 13.13 H new ATOM 0 HG21 VAL A 78 7.698 -11.916 7.020 1.00 22.14 H new ATOM 0 HG22 VAL A 78 8.581 -11.796 8.561 1.00 22.14 H new ATOM 0 HG23 VAL A 78 6.868 -12.279 8.551 1.00 22.14 H new ATOM 1199 N ARG A 79 9.374 -9.106 10.149 1.00 61.45 N ATOM 1200 CA ARG A 79 10.707 -9.265 10.710 1.00 14.22 C ATOM 1201 C ARG A 79 10.701 -8.942 12.198 1.00 51.30 C ATOM 1202 O ARG A 79 11.264 -9.679 13.003 1.00 43.03 O ATOM 1203 CB ARG A 79 11.724 -8.384 9.972 1.00 63.44 C ATOM 1204 CG ARG A 79 11.826 -8.682 8.477 1.00 63.40 C ATOM 1205 CD ARG A 79 13.054 -8.029 7.850 1.00 74.44 C ATOM 1206 NE ARG A 79 14.298 -8.599 8.375 1.00 53.13 N ATOM 1207 CZ ARG A 79 15.492 -8.008 8.305 1.00 42.11 C ATOM 1208 NH1 ARG A 79 15.620 -6.824 7.724 1.00 73.33 N ATOM 1209 NH2 ARG A 79 16.558 -8.611 8.811 1.00 64.44 N ATOM 0 H ARG A 79 9.257 -8.280 9.562 1.00 61.45 H new ATOM 0 HA ARG A 79 11.006 -10.305 10.581 1.00 14.22 H new ATOM 0 HB2 ARG A 79 11.450 -7.338 10.107 1.00 63.44 H new ATOM 0 HB3 ARG A 79 12.705 -8.518 10.428 1.00 63.44 H new ATOM 0 HG2 ARG A 79 11.870 -9.760 8.324 1.00 63.40 H new ATOM 0 HG3 ARG A 79 10.928 -8.325 7.973 1.00 63.40 H new ATOM 0 HD2 ARG A 79 13.023 -8.158 6.768 1.00 74.44 H new ATOM 0 HD3 ARG A 79 13.035 -6.957 8.044 1.00 74.44 H new ATOM 0 HE ARG A 79 14.247 -9.512 8.826 1.00 53.13 H new ATOM 0 HH11 ARG A 79 14.803 -6.360 7.327 1.00 73.33 H new ATOM 0 HH12 ARG A 79 16.535 -6.377 7.673 1.00 73.33 H new ATOM 0 HH21 ARG A 79 16.465 -9.525 9.253 1.00 64.44 H new ATOM 0 HH22 ARG A 79 17.472 -8.161 8.758 1.00 64.44 H new ATOM 1223 N GLU A 80 10.022 -7.862 12.568 1.00 45.44 N ATOM 1224 CA GLU A 80 9.992 -7.419 13.961 1.00 22.12 C ATOM 1225 C GLU A 80 9.250 -8.441 14.837 1.00 4.33 C ATOM 1226 O GLU A 80 9.345 -8.414 16.066 1.00 13.03 O ATOM 1227 CB GLU A 80 9.343 -6.030 14.061 1.00 62.53 C ATOM 1228 CG GLU A 80 9.582 -5.330 15.400 1.00 73.11 C ATOM 1229 CD GLU A 80 9.151 -3.870 15.392 1.00 33.40 C ATOM 1230 OE1 GLU A 80 9.694 -3.093 14.574 1.00 51.44 O ATOM 1231 OE2 GLU A 80 8.282 -3.489 16.204 1.00 33.42 O ATOM 0 H GLU A 80 9.486 -7.277 11.927 1.00 45.44 H new ATOM 0 HA GLU A 80 11.015 -7.345 14.329 1.00 22.12 H new ATOM 0 HB2 GLU A 80 9.729 -5.401 13.259 1.00 62.53 H new ATOM 0 HB3 GLU A 80 8.269 -6.129 13.900 1.00 62.53 H new ATOM 0 HG2 GLU A 80 9.039 -5.859 16.183 1.00 73.11 H new ATOM 0 HG3 GLU A 80 10.641 -5.389 15.651 1.00 73.11 H new ATOM 1238 N HIS A 81 8.511 -9.343 14.186 1.00 54.53 N ATOM 1239 CA HIS A 81 7.796 -10.420 14.877 1.00 0.23 C ATOM 1240 C HIS A 81 8.545 -11.748 14.769 1.00 2.25 C ATOM 1241 O HIS A 81 8.426 -12.607 15.647 1.00 34.22 O ATOM 1242 CB HIS A 81 6.382 -10.592 14.295 1.00 32.20 C ATOM 1243 CG HIS A 81 5.430 -9.487 14.644 1.00 2.42 C ATOM 1244 ND1 HIS A 81 4.083 -9.697 14.854 1.00 13.53 N ATOM 1245 CD2 HIS A 81 5.629 -8.157 14.804 1.00 0.35 C ATOM 1246 CE1 HIS A 81 3.498 -8.544 15.125 1.00 43.44 C ATOM 1247 NE2 HIS A 81 4.415 -7.597 15.102 1.00 2.53 N ATOM 0 H HIS A 81 8.392 -9.348 13.173 1.00 54.53 H new ATOM 0 HA HIS A 81 7.729 -10.139 15.928 1.00 0.23 H new ATOM 0 HB2 HIS A 81 6.455 -10.663 13.210 1.00 32.20 H new ATOM 0 HB3 HIS A 81 5.969 -11.536 14.649 1.00 32.20 H new ATOM 0 HD2 HIS A 81 6.570 -7.635 14.713 1.00 0.35 H new ATOM 0 HE1 HIS A 81 2.447 -8.401 15.330 1.00 43.44 H new ATOM 0 HE2 HIS A 81 4.247 -6.606 15.278 1.00 2.53 H new ATOM 1256 N LEU A 82 9.303 -11.922 13.688 1.00 52.02 N ATOM 1257 CA LEU A 82 9.962 -13.198 13.415 1.00 15.11 C ATOM 1258 C LEU A 82 11.325 -13.277 14.099 1.00 65.10 C ATOM 1259 O LEU A 82 11.687 -14.320 14.654 1.00 73.43 O ATOM 1260 CB LEU A 82 10.117 -13.406 11.902 1.00 12.10 C ATOM 1261 CG LEU A 82 10.588 -14.806 11.471 1.00 72.24 C ATOM 1262 CD1 LEU A 82 9.617 -15.872 11.970 1.00 41.43 C ATOM 1263 CD2 LEU A 82 10.737 -14.877 9.952 1.00 53.35 C ATOM 0 H LEU A 82 9.476 -11.199 12.990 1.00 52.02 H new ATOM 0 HA LEU A 82 9.334 -13.991 13.821 1.00 15.11 H new ATOM 0 HB2 LEU A 82 9.159 -13.201 11.425 1.00 12.10 H new ATOM 0 HB3 LEU A 82 10.826 -12.670 11.522 1.00 12.10 H new ATOM 0 HG LEU A 82 11.564 -14.996 11.918 1.00 72.24 H new ATOM 0 HD11 LEU A 82 9.965 -16.856 11.657 1.00 41.43 H new ATOM 0 HD12 LEU A 82 9.564 -15.835 13.058 1.00 41.43 H new ATOM 0 HD13 LEU A 82 8.627 -15.687 11.552 1.00 41.43 H new ATOM 0 HD21 LEU A 82 11.071 -15.874 9.665 1.00 53.35 H new ATOM 0 HD22 LEU A 82 9.776 -14.667 9.482 1.00 53.35 H new ATOM 0 HD23 LEU A 82 11.470 -14.141 9.624 1.00 53.35 H new ATOM 1275 N ASN A 83 12.078 -12.177 14.043 1.00 23.21 N ATOM 1276 CA ASN A 83 13.397 -12.109 14.676 1.00 34.30 C ATOM 1277 C ASN A 83 13.283 -12.433 16.162 1.00 64.54 C ATOM 1278 O ASN A 83 12.608 -11.724 16.917 1.00 24.35 O ATOM 1279 CB ASN A 83 14.053 -10.728 14.477 1.00 5.33 C ATOM 1280 CG ASN A 83 14.523 -10.492 13.049 1.00 13.22 C ATOM 1281 OD1 ASN A 83 13.799 -9.941 12.221 1.00 20.11 O ATOM 1282 ND2 ASN A 83 15.743 -10.908 12.750 1.00 42.20 N ATOM 0 H ASN A 83 11.797 -11.320 13.566 1.00 23.21 H new ATOM 0 HA ASN A 83 14.036 -12.850 14.196 1.00 34.30 H new ATOM 0 HB2 ASN A 83 13.340 -9.951 14.752 1.00 5.33 H new ATOM 0 HB3 ASN A 83 14.903 -10.635 15.153 1.00 5.33 H new ATOM 0 HD21 ASN A 83 16.110 -10.775 11.808 1.00 42.20 H new ATOM 0 HD22 ASN A 83 16.316 -11.361 13.462 1.00 42.20 H new ATOM 1289 N GLN A 84 13.935 -13.521 16.562 1.00 54.12 N ATOM 1290 CA GLN A 84 13.855 -14.025 17.927 1.00 32.44 C ATOM 1291 C GLN A 84 14.430 -13.020 18.923 1.00 35.52 C ATOM 1292 O GLN A 84 15.643 -12.954 19.128 1.00 62.41 O ATOM 1293 CB GLN A 84 14.592 -15.368 18.035 1.00 74.55 C ATOM 1294 CG GLN A 84 14.513 -16.014 19.413 1.00 74.02 C ATOM 1295 CD GLN A 84 15.266 -17.327 19.472 1.00 54.40 C ATOM 1296 OE1 GLN A 84 14.710 -18.392 19.214 1.00 71.43 O ATOM 1297 NE2 GLN A 84 16.546 -17.259 19.804 1.00 3.04 N ATOM 0 H GLN A 84 14.532 -14.076 15.949 1.00 54.12 H new ATOM 0 HA GLN A 84 12.804 -14.174 18.174 1.00 32.44 H new ATOM 0 HB2 GLN A 84 14.178 -16.057 17.299 1.00 74.55 H new ATOM 0 HB3 GLN A 84 15.640 -15.217 17.776 1.00 74.55 H new ATOM 0 HG2 GLN A 84 14.920 -15.330 20.157 1.00 74.02 H new ATOM 0 HG3 GLN A 84 13.468 -16.184 19.674 1.00 74.02 H new ATOM 0 HE21 GLN A 84 16.972 -16.356 20.011 1.00 3.04 H new ATOM 0 HE22 GLN A 84 17.106 -18.110 19.852 1.00 3.04 H new ATOM 1306 N HIS A 85 13.548 -12.222 19.515 1.00 50.13 N ATOM 1307 CA HIS A 85 13.926 -11.256 20.543 1.00 23.14 C ATOM 1308 C HIS A 85 12.914 -11.290 21.681 1.00 22.41 C ATOM 1309 O HIS A 85 11.704 -11.329 21.441 1.00 2.45 O ATOM 1310 CB HIS A 85 14.005 -9.839 19.949 1.00 52.30 C ATOM 1311 CG HIS A 85 14.216 -8.762 20.975 1.00 34.32 C ATOM 1312 ND1 HIS A 85 13.261 -7.816 21.282 1.00 73.50 N ATOM 1313 CD2 HIS A 85 15.279 -8.486 21.770 1.00 52.32 C ATOM 1314 CE1 HIS A 85 13.725 -7.012 22.218 1.00 52.11 C ATOM 1315 NE2 HIS A 85 14.947 -7.395 22.535 1.00 52.35 N ATOM 0 H HIS A 85 12.552 -12.226 19.297 1.00 50.13 H new ATOM 0 HA HIS A 85 14.909 -11.524 20.930 1.00 23.14 H new ATOM 0 HB2 HIS A 85 14.820 -9.803 19.226 1.00 52.30 H new ATOM 0 HB3 HIS A 85 13.085 -9.632 19.403 1.00 52.30 H new ATOM 0 HD1 HIS A 85 12.339 -7.749 20.852 1.00 73.50 H new ATOM 0 HD2 HIS A 85 16.215 -9.025 21.797 1.00 52.32 H new ATOM 0 HE1 HIS A 85 13.193 -6.179 22.653 1.00 52.11 H new ATOM 1324 N SER A 86 13.409 -11.294 22.915 1.00 2.41 N ATOM 1325 CA SER A 86 12.542 -11.248 24.088 1.00 53.33 C ATOM 1326 C SER A 86 11.784 -9.917 24.104 1.00 3.22 C ATOM 1327 O SER A 86 12.317 -8.890 24.533 1.00 51.12 O ATOM 1328 CB SER A 86 13.363 -11.426 25.372 1.00 53.13 C ATOM 1329 OG SER A 86 12.527 -11.511 26.517 1.00 2.23 O ATOM 0 H SER A 86 14.406 -11.329 23.129 1.00 2.41 H new ATOM 0 HA SER A 86 11.823 -12.066 24.039 1.00 53.33 H new ATOM 0 HB2 SER A 86 13.969 -12.329 25.295 1.00 53.13 H new ATOM 0 HB3 SER A 86 14.051 -10.588 25.484 1.00 53.13 H new ATOM 0 HG SER A 86 13.080 -11.626 27.318 1.00 2.23 H new ATOM 1335 N GLY A 87 10.559 -9.941 23.588 1.00 74.42 N ATOM 1336 CA GLY A 87 9.775 -8.727 23.442 1.00 31.33 C ATOM 1337 C GLY A 87 9.822 -8.215 22.014 1.00 32.32 C ATOM 1338 O GLY A 87 10.579 -7.291 21.706 1.00 53.13 O ATOM 0 H GLY A 87 10.091 -10.788 23.265 1.00 74.42 H new ATOM 0 HA2 GLY A 87 8.741 -8.921 23.728 1.00 31.33 H new ATOM 0 HA3 GLY A 87 10.155 -7.962 24.119 1.00 31.33 H new ATOM 1342 N PRO A 88 9.042 -8.824 21.102 1.00 70.20 N ATOM 1343 CA PRO A 88 9.010 -8.445 19.692 1.00 73.53 C ATOM 1344 C PRO A 88 8.074 -7.263 19.446 1.00 3.41 C ATOM 1345 O PRO A 88 7.628 -6.607 20.392 1.00 45.03 O ATOM 1346 CB PRO A 88 8.485 -9.719 18.986 1.00 5.34 C ATOM 1347 CG PRO A 88 8.155 -10.702 20.076 1.00 11.52 C ATOM 1348 CD PRO A 88 8.110 -9.924 21.364 1.00 42.10 C ATOM 0 HA PRO A 88 9.985 -8.121 19.327 1.00 73.53 H new ATOM 0 HB2 PRO A 88 7.604 -9.495 18.385 1.00 5.34 H new ATOM 0 HB3 PRO A 88 9.237 -10.126 18.310 1.00 5.34 H new ATOM 0 HG2 PRO A 88 7.198 -11.186 19.883 1.00 11.52 H new ATOM 0 HG3 PRO A 88 8.906 -11.490 20.126 1.00 11.52 H new ATOM 0 HD2 PRO A 88 7.106 -9.562 21.584 1.00 42.10 H new ATOM 0 HD3 PRO A 88 8.424 -10.529 22.215 1.00 42.10 H new ATOM 1356 N GLY A 89 7.786 -6.995 18.176 1.00 45.11 N ATOM 1357 CA GLY A 89 6.873 -5.924 17.822 1.00 73.43 C ATOM 1358 C GLY A 89 5.471 -6.165 18.347 1.00 22.31 C ATOM 1359 O GLY A 89 4.763 -7.051 17.858 1.00 11.13 O ATOM 0 H GLY A 89 8.172 -7.505 17.381 1.00 45.11 H new ATOM 0 HA2 GLY A 89 7.250 -4.982 18.220 1.00 73.43 H new ATOM 0 HA3 GLY A 89 6.840 -5.822 16.737 1.00 73.43 H new ATOM 1363 N ILE A 90 5.073 -5.395 19.356 1.00 5.14 N ATOM 1364 CA ILE A 90 3.739 -5.517 19.925 1.00 21.42 C ATOM 1365 C ILE A 90 2.745 -4.726 19.077 1.00 23.35 C ATOM 1366 O ILE A 90 2.356 -3.605 19.415 1.00 33.33 O ATOM 1367 CB ILE A 90 3.684 -5.043 21.406 1.00 44.04 C ATOM 1368 CG1 ILE A 90 4.763 -5.761 22.240 1.00 14.02 C ATOM 1369 CG2 ILE A 90 2.296 -5.285 22.007 1.00 43.22 C ATOM 1370 CD1 ILE A 90 4.634 -7.275 22.258 1.00 22.10 C ATOM 0 H ILE A 90 5.656 -4.682 19.794 1.00 5.14 H new ATOM 0 HA ILE A 90 3.470 -6.573 19.918 1.00 21.42 H new ATOM 0 HB ILE A 90 3.881 -3.971 21.427 1.00 44.04 H new ATOM 0 HG12 ILE A 90 5.745 -5.496 21.848 1.00 14.02 H new ATOM 0 HG13 ILE A 90 4.719 -5.392 23.265 1.00 14.02 H new ATOM 0 HG21 ILE A 90 2.284 -4.945 23.043 1.00 43.22 H new ATOM 0 HG22 ILE A 90 1.550 -4.733 21.435 1.00 43.22 H new ATOM 0 HG23 ILE A 90 2.065 -6.350 21.972 1.00 43.22 H new ATOM 0 HD11 ILE A 90 5.432 -7.701 22.867 1.00 22.10 H new ATOM 0 HD12 ILE A 90 3.668 -7.553 22.680 1.00 22.10 H new ATOM 0 HD13 ILE A 90 4.710 -7.659 21.241 1.00 22.10 H new ATOM 1382 N ASP A 91 2.395 -5.304 17.939 1.00 1.23 N ATOM 1383 CA ASP A 91 1.436 -4.726 17.011 1.00 74.51 C ATOM 1384 C ASP A 91 0.725 -5.858 16.281 1.00 2.04 C ATOM 1385 O ASP A 91 1.014 -7.031 16.533 1.00 62.54 O ATOM 1386 CB ASP A 91 2.140 -3.797 16.012 1.00 44.12 C ATOM 1387 CG ASP A 91 3.150 -4.518 15.129 1.00 15.41 C ATOM 1388 OD1 ASP A 91 4.283 -4.766 15.593 1.00 24.45 O ATOM 1389 OD2 ASP A 91 2.821 -4.839 13.970 1.00 43.31 O ATOM 0 H ASP A 91 2.774 -6.199 17.630 1.00 1.23 H new ATOM 0 HA ASP A 91 0.709 -4.128 17.560 1.00 74.51 H new ATOM 0 HB2 ASP A 91 1.391 -3.319 15.380 1.00 44.12 H new ATOM 0 HB3 ASP A 91 2.648 -3.003 16.560 1.00 44.12 H new ATOM 1394 N TYR A 92 -0.189 -5.525 15.376 1.00 33.23 N ATOM 1395 CA TYR A 92 -0.962 -6.549 14.677 1.00 55.10 C ATOM 1396 C TYR A 92 -1.074 -6.245 13.184 1.00 54.42 C ATOM 1397 O TYR A 92 -0.956 -5.095 12.757 1.00 72.11 O ATOM 1398 CB TYR A 92 -2.357 -6.706 15.307 1.00 14.33 C ATOM 1399 CG TYR A 92 -3.218 -5.454 15.270 1.00 5.32 C ATOM 1400 CD1 TYR A 92 -3.023 -4.424 16.184 1.00 74.10 C ATOM 1401 CD2 TYR A 92 -4.237 -5.315 14.333 1.00 64.52 C ATOM 1402 CE1 TYR A 92 -3.815 -3.292 16.165 1.00 61.43 C ATOM 1403 CE2 TYR A 92 -5.035 -4.186 14.309 1.00 43.34 C ATOM 1404 CZ TYR A 92 -4.820 -3.178 15.226 1.00 34.30 C ATOM 1405 OH TYR A 92 -5.611 -2.049 15.208 1.00 4.12 O ATOM 0 H TYR A 92 -0.412 -4.566 15.110 1.00 33.23 H new ATOM 0 HA TYR A 92 -0.428 -7.493 14.783 1.00 55.10 H new ATOM 0 HB2 TYR A 92 -2.885 -7.508 14.791 1.00 14.33 H new ATOM 0 HB3 TYR A 92 -2.239 -7.018 16.345 1.00 14.33 H new ATOM 0 HD1 TYR A 92 -2.239 -4.511 16.922 1.00 74.10 H new ATOM 0 HD2 TYR A 92 -4.407 -6.102 13.613 1.00 64.52 H new ATOM 0 HE1 TYR A 92 -3.649 -2.501 16.881 1.00 61.43 H new ATOM 0 HE2 TYR A 92 -5.823 -4.094 13.576 1.00 43.34 H new ATOM 0 HH TYR A 92 -6.270 -2.123 14.487 1.00 4.12 H new ATOM 1415 N ALA A 93 -1.312 -7.296 12.412 1.00 11.13 N ATOM 1416 CA ALA A 93 -1.392 -7.220 10.960 1.00 53.10 C ATOM 1417 C ALA A 93 -2.204 -8.412 10.464 1.00 2.23 C ATOM 1418 O ALA A 93 -3.232 -8.745 11.062 1.00 73.52 O ATOM 1419 CB ALA A 93 0.018 -7.221 10.361 1.00 75.12 C ATOM 0 H ALA A 93 -1.457 -8.236 12.780 1.00 11.13 H new ATOM 0 HA ALA A 93 -1.882 -6.297 10.649 1.00 53.10 H new ATOM 0 HB1 ALA A 93 -0.048 -7.164 9.275 1.00 75.12 H new ATOM 0 HB2 ALA A 93 0.573 -6.361 10.736 1.00 75.12 H new ATOM 0 HB3 ALA A 93 0.534 -8.138 10.645 1.00 75.12 H new ATOM 1425 N VAL A 94 -1.766 -9.029 9.365 1.00 65.13 N ATOM 1426 CA VAL A 94 -2.255 -10.351 8.978 1.00 73.34 C ATOM 1427 C VAL A 94 -2.355 -11.244 10.225 1.00 64.21 C ATOM 1428 O VAL A 94 -1.440 -11.261 11.057 1.00 24.50 O ATOM 1429 CB VAL A 94 -1.300 -11.012 7.947 1.00 52.51 C ATOM 1430 CG1 VAL A 94 0.083 -11.227 8.557 1.00 75.41 C ATOM 1431 CG2 VAL A 94 -1.877 -12.329 7.424 1.00 41.25 C ATOM 0 H VAL A 94 -1.074 -8.634 8.728 1.00 65.13 H new ATOM 0 HA VAL A 94 -3.238 -10.237 8.520 1.00 73.34 H new ATOM 0 HB VAL A 94 -1.199 -10.335 7.099 1.00 52.51 H new ATOM 0 HG11 VAL A 94 0.738 -11.691 7.819 1.00 75.41 H new ATOM 0 HG12 VAL A 94 0.500 -10.267 8.860 1.00 75.41 H new ATOM 0 HG13 VAL A 94 -0.001 -11.877 9.428 1.00 75.41 H new ATOM 0 HG21 VAL A 94 -1.186 -12.768 6.704 1.00 41.25 H new ATOM 0 HG22 VAL A 94 -2.022 -13.019 8.256 1.00 41.25 H new ATOM 0 HG23 VAL A 94 -2.835 -12.140 6.939 1.00 41.25 H new ATOM 1441 N ARG A 95 -3.462 -11.952 10.372 1.00 64.15 N ATOM 1442 CA ARG A 95 -3.695 -12.757 11.565 1.00 53.51 C ATOM 1443 C ARG A 95 -3.225 -14.197 11.330 1.00 63.34 C ATOM 1444 O ARG A 95 -3.988 -14.982 10.744 1.00 22.32 O ATOM 1445 CB ARG A 95 -5.185 -12.709 11.951 1.00 22.34 C ATOM 1446 CG ARG A 95 -5.512 -13.444 13.245 1.00 23.40 C ATOM 1447 CD ARG A 95 -4.864 -12.792 14.464 1.00 44.34 C ATOM 1448 NE ARG A 95 -5.321 -11.409 14.658 1.00 74.54 N ATOM 1449 CZ ARG A 95 -6.005 -10.974 15.725 1.00 11.51 C ATOM 1450 NH1 ARG A 95 -6.381 -11.820 16.676 1.00 11.43 N ATOM 1451 NH2 ARG A 95 -6.336 -9.693 15.823 1.00 42.22 N ATOM 1452 OXT ARG A 95 -2.084 -14.534 11.727 1.00 0.00 O ATOM 0 H ARG A 95 -4.214 -11.988 9.683 1.00 64.15 H new ATOM 0 HA ARG A 95 -3.118 -12.347 12.394 1.00 53.51 H new ATOM 0 HB2 ARG A 95 -5.491 -11.668 12.049 1.00 22.34 H new ATOM 0 HB3 ARG A 95 -5.774 -13.140 11.141 1.00 22.34 H new ATOM 0 HG2 ARG A 95 -6.593 -13.470 13.382 1.00 23.40 H new ATOM 0 HG3 ARG A 95 -5.176 -14.478 13.167 1.00 23.40 H new ATOM 0 HD2 ARG A 95 -5.095 -13.378 15.354 1.00 44.34 H new ATOM 0 HD3 ARG A 95 -3.780 -12.803 14.347 1.00 44.34 H new ATOM 0 HE ARG A 95 -5.102 -10.731 13.928 1.00 74.54 H new ATOM 0 HH11 ARG A 95 -6.150 -12.810 16.598 1.00 11.43 H new ATOM 0 HH12 ARG A 95 -6.901 -11.480 17.485 1.00 11.43 H new ATOM 0 HH21 ARG A 95 -6.070 -9.040 15.086 1.00 42.22 H new ATOM 0 HH22 ARG A 95 -6.857 -9.361 16.635 1.00 42.22 H new TER 1466 ARG A 95