USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 819 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 44 THR OG1 : rot -73:sc= 1.06 USER MOD Set 1.2: B 101 HIS : no HD1:sc= -1.86! C(o=-0.81!,f=-2.5!) USER MOD Set 2.1: B 74 HIS : no HD1:sc= -2.01 K(o=-2.2,f=-3.9) USER MOD Set 2.2: B 85 GLN : amide:sc= -0.202 X(o=-2.2,f=-1.8) USER MOD Set 3.1: A 8 HIS : no HE2:sc= 0.309! C(o=1!,f=-16!) USER MOD Set 3.2: A 53 TYR OH : rot 39:sc= 0.71! USER MOD Set 4.1: A 23 ASN : amide:sc= -0.224 X(o=-0.3,f=0.14) USER MOD Set 4.2: A 24 ASN : amide:sc= -0.0715! X(o=-0.3!,f=-0.044) USER MOD Single : A 1 GLY N :NH3+ 180:sc= -0.111 (180deg=-0.111) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= -0.029 USER MOD Single : A 7 LYS NZ :NH3+ 164:sc= 1.19 (180deg=0.933) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 HIS : no HD1:sc= 0 X(o=0,f=-0.075) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 ASN : amide:sc= 1.02 K(o=1,f=-0.00097) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 21:sc= 0.748 USER MOD Single : A 42 GLN : amide:sc= -2.95! C(o=-3!,f=-4.8!) USER MOD Single : A 48 THR OG1 : rot 90:sc= -2.21! USER MOD Single : A 49 SER OG : rot -81:sc= 0.718 USER MOD Single : A 50 LYS NZ :NH3+ -113:sc= -0.222 (180deg=-3.84!) USER MOD Single : A 59 GLN :FLIP amide:sc= -0.336 F(o=-1.5,f=-0.34) USER MOD Single : A 67 GLN : amide:sc= -0.166 X(o=-0.17,f=-0.05) USER MOD Single : A 69 MET CE :methyl -101:sc= -2.3! (180deg=-4.64!) USER MOD Single : A 72 GLN : amide:sc= -0.588 X(o=-0.59,f=-0.54) USER MOD Single : B 75 MET CE :methyl -145:sc= 0 (180deg=-0.116) USER MOD Single : B 81 GLN :FLIP amide:sc= -0.0581 F(o=-1.8!,f=-0.058) USER MOD Single : B 84 MET CE :methyl 176:sc= -0.588 (180deg=-0.756) USER MOD Single : B 86 HIS : no HD1:sc= -0.243 K(o=-0.24,f=-4.5!) USER MOD Single : B 90 HIS :FLIP no HE2:sc= 0.197 F(o=-1.6,f=0.2) USER MOD Single : B 93 GLN :FLIP amide:sc= -0.0161 F(o=-0.84,f=-0.016) USER MOD Single : B 97 ASN : amide:sc= -0.991! C(o=-0.99!,f=-3!) USER MOD Single : B 98 MET CE :methyl 163:sc= -0.124 (180deg=-0.592) USER MOD Single : B 107 ASN :FLIP amide:sc=-0.00814 F(o=-0.92,f=-0.0081) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -23.878 5.637 -11.231 1.00 0.00 N ATOM 2 CA GLY A 1 -22.951 6.542 -11.948 1.00 0.00 C ATOM 3 C GLY A 1 -21.588 6.625 -11.290 1.00 0.00 C ATOM 4 O GLY A 1 -20.686 7.289 -11.803 1.00 0.00 O ATOM 0 H1 GLY A 1 -24.794 5.618 -11.723 1.00 0.00 H new ATOM 0 H2 GLY A 1 -23.477 4.678 -11.207 1.00 0.00 H new ATOM 0 H3 GLY A 1 -24.015 5.979 -10.259 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -22.834 6.196 -12.975 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -23.388 7.539 -11.996 1.00 0.00 H new ATOM 10 N HIS A 2 -21.419 5.941 -10.165 1.00 0.00 N ATOM 11 CA HIS A 2 -20.167 5.998 -9.427 1.00 0.00 C ATOM 12 C HIS A 2 -19.235 4.874 -9.856 1.00 0.00 C ATOM 13 O HIS A 2 -18.991 3.930 -9.103 1.00 0.00 O ATOM 14 CB HIS A 2 -20.419 5.925 -7.921 1.00 0.00 C ATOM 15 CG HIS A 2 -19.885 7.104 -7.174 1.00 0.00 C ATOM 16 ND1 HIS A 2 -18.819 7.031 -6.306 1.00 0.00 N ATOM 17 CD2 HIS A 2 -20.293 8.391 -7.158 1.00 0.00 C ATOM 18 CE1 HIS A 2 -18.595 8.223 -5.789 1.00 0.00 C ATOM 19 NE2 HIS A 2 -19.478 9.070 -6.289 1.00 0.00 N ATOM 0 H HIS A 2 -22.131 5.343 -9.746 1.00 0.00 H new ATOM 0 HA HIS A 2 -19.690 6.951 -9.653 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -21.491 5.846 -7.743 1.00 0.00 H new ATOM 0 HB3 HIS A 2 -19.963 5.017 -7.527 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -21.111 8.809 -7.726 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -17.820 8.466 -5.077 1.00 0.00 H new ATOM 0 HE2 HIS A 2 -19.542 10.063 -6.066 1.00 0.00 H new ATOM 28 N MET A 3 -18.732 4.971 -11.075 1.00 0.00 N ATOM 29 CA MET A 3 -17.763 4.006 -11.574 1.00 0.00 C ATOM 30 C MET A 3 -16.362 4.589 -11.458 1.00 0.00 C ATOM 31 O MET A 3 -15.946 5.390 -12.298 1.00 0.00 O ATOM 32 CB MET A 3 -18.072 3.620 -13.026 1.00 0.00 C ATOM 33 CG MET A 3 -19.433 2.966 -13.206 1.00 0.00 C ATOM 34 SD MET A 3 -19.750 2.463 -14.907 1.00 0.00 S ATOM 35 CE MET A 3 -21.416 1.821 -14.757 1.00 0.00 C ATOM 0 H MET A 3 -18.977 5.707 -11.738 1.00 0.00 H new ATOM 0 HA MET A 3 -17.824 3.099 -10.972 1.00 0.00 H new ATOM 0 HB2 MET A 3 -18.022 4.513 -13.649 1.00 0.00 H new ATOM 0 HB3 MET A 3 -17.300 2.938 -13.384 1.00 0.00 H new ATOM 0 HG2 MET A 3 -19.500 2.094 -12.556 1.00 0.00 H new ATOM 0 HG3 MET A 3 -20.210 3.661 -12.887 1.00 0.00 H new ATOM 0 HE1 MET A 3 -21.759 1.468 -15.730 1.00 0.00 H new ATOM 0 HE2 MET A 3 -21.425 0.994 -14.047 1.00 0.00 H new ATOM 0 HE3 MET A 3 -22.079 2.610 -14.403 1.00 0.00 H new ATOM 45 N SER A 4 -15.665 4.200 -10.387 1.00 0.00 N ATOM 46 CA SER A 4 -14.327 4.702 -10.070 1.00 0.00 C ATOM 47 C SER A 4 -14.405 6.129 -9.525 1.00 0.00 C ATOM 48 O SER A 4 -15.419 6.818 -9.685 1.00 0.00 O ATOM 49 CB SER A 4 -13.396 4.629 -11.293 1.00 0.00 C ATOM 50 OG SER A 4 -12.072 5.032 -10.970 1.00 0.00 O ATOM 0 H SER A 4 -16.017 3.522 -9.711 1.00 0.00 H new ATOM 0 HA SER A 4 -13.902 4.062 -9.297 1.00 0.00 H new ATOM 0 HB2 SER A 4 -13.382 3.610 -11.680 1.00 0.00 H new ATOM 0 HB3 SER A 4 -13.787 5.266 -12.087 1.00 0.00 H new ATOM 0 HG SER A 4 -11.508 4.972 -11.769 1.00 0.00 H new ATOM 56 N GLY A 5 -13.340 6.558 -8.866 1.00 0.00 N ATOM 57 CA GLY A 5 -13.309 7.881 -8.287 1.00 0.00 C ATOM 58 C GLY A 5 -11.909 8.449 -8.257 1.00 0.00 C ATOM 59 O GLY A 5 -11.039 7.931 -7.556 1.00 0.00 O ATOM 0 H GLY A 5 -12.493 6.009 -8.722 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -13.958 8.544 -8.860 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -13.708 7.843 -7.273 1.00 0.00 H new ATOM 63 N PHE A 6 -11.685 9.494 -9.037 1.00 0.00 N ATOM 64 CA PHE A 6 -10.396 10.170 -9.059 1.00 0.00 C ATOM 65 C PHE A 6 -10.176 10.936 -7.759 1.00 0.00 C ATOM 66 O PHE A 6 -10.763 11.999 -7.544 1.00 0.00 O ATOM 67 CB PHE A 6 -10.309 11.125 -10.255 1.00 0.00 C ATOM 68 CG PHE A 6 -9.000 11.859 -10.346 1.00 0.00 C ATOM 69 CD1 PHE A 6 -7.868 11.224 -10.828 1.00 0.00 C ATOM 70 CD2 PHE A 6 -8.902 13.184 -9.947 1.00 0.00 C ATOM 71 CE1 PHE A 6 -6.663 11.892 -10.910 1.00 0.00 C ATOM 72 CE2 PHE A 6 -7.698 13.858 -10.027 1.00 0.00 C ATOM 73 CZ PHE A 6 -6.578 13.211 -10.510 1.00 0.00 C ATOM 0 H PHE A 6 -12.381 9.894 -9.666 1.00 0.00 H new ATOM 0 HA PHE A 6 -9.615 9.416 -9.159 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -10.463 10.558 -11.173 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -11.119 11.851 -10.189 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -7.929 10.193 -11.144 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -9.776 13.694 -9.570 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -5.788 11.384 -11.287 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -7.633 14.889 -9.712 1.00 0.00 H new ATOM 0 HZ PHE A 6 -5.636 13.736 -10.575 1.00 0.00 H new ATOM 83 N LYS A 7 -9.348 10.380 -6.888 1.00 0.00 N ATOM 84 CA LYS A 7 -9.015 11.020 -5.623 1.00 0.00 C ATOM 85 C LYS A 7 -7.505 11.114 -5.470 1.00 0.00 C ATOM 86 O LYS A 7 -6.968 11.052 -4.363 1.00 0.00 O ATOM 87 CB LYS A 7 -9.626 10.246 -4.451 1.00 0.00 C ATOM 88 CG LYS A 7 -11.148 10.222 -4.468 1.00 0.00 C ATOM 89 CD LYS A 7 -11.728 11.627 -4.381 1.00 0.00 C ATOM 90 CE LYS A 7 -13.248 11.618 -4.450 1.00 0.00 C ATOM 91 NZ LYS A 7 -13.852 10.852 -3.332 1.00 0.00 N ATOM 0 H LYS A 7 -8.891 9.480 -7.035 1.00 0.00 H new ATOM 0 HA LYS A 7 -9.432 12.027 -5.620 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -9.254 9.222 -4.469 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -9.288 10.692 -3.516 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -11.495 9.740 -5.382 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -11.513 9.624 -3.633 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -11.410 12.094 -3.449 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -11.331 12.235 -5.194 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -13.618 12.643 -4.428 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -13.565 11.185 -5.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -14.862 11.089 -3.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -13.748 9.833 -3.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -13.370 11.096 -2.443 1.00 0.00 H new ATOM 105 N HIS A 8 -6.829 11.248 -6.601 1.00 0.00 N ATOM 106 CA HIS A 8 -5.380 11.374 -6.626 1.00 0.00 C ATOM 107 C HIS A 8 -4.964 12.788 -6.234 1.00 0.00 C ATOM 108 O HIS A 8 -4.988 13.707 -7.054 1.00 0.00 O ATOM 109 CB HIS A 8 -4.848 11.023 -8.021 1.00 0.00 C ATOM 110 CG HIS A 8 -3.351 11.087 -8.154 1.00 0.00 C ATOM 111 ND1 HIS A 8 -2.550 9.971 -8.141 1.00 0.00 N ATOM 112 CD2 HIS A 8 -2.519 12.139 -8.339 1.00 0.00 C ATOM 113 CE1 HIS A 8 -1.294 10.329 -8.315 1.00 0.00 C ATOM 114 NE2 HIS A 8 -1.241 11.642 -8.441 1.00 0.00 N ATOM 0 H HIS A 8 -7.266 11.272 -7.522 1.00 0.00 H new ATOM 0 HA HIS A 8 -4.952 10.679 -5.904 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -5.180 10.018 -8.280 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -5.294 11.703 -8.747 1.00 0.00 H new ATOM 0 HD1 HIS A 8 -2.877 9.013 -8.016 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -2.807 13.178 -8.396 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -0.448 9.659 -8.349 1.00 0.00 H new ATOM 123 N VAL A 9 -4.598 12.955 -4.978 1.00 0.00 N ATOM 124 CA VAL A 9 -4.100 14.229 -4.489 1.00 0.00 C ATOM 125 C VAL A 9 -2.869 13.998 -3.619 1.00 0.00 C ATOM 126 O VAL A 9 -2.715 12.920 -3.038 1.00 0.00 O ATOM 127 CB VAL A 9 -5.182 14.996 -3.691 1.00 0.00 C ATOM 128 CG1 VAL A 9 -5.569 14.241 -2.427 1.00 0.00 C ATOM 129 CG2 VAL A 9 -4.712 16.407 -3.360 1.00 0.00 C ATOM 0 H VAL A 9 -4.636 12.220 -4.272 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.831 14.841 -5.350 1.00 0.00 H new ATOM 0 HB VAL A 9 -6.070 15.073 -4.318 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -6.331 14.803 -1.886 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.963 13.261 -2.695 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.691 14.118 -1.793 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.489 16.927 -2.799 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -3.803 16.356 -2.760 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.507 16.948 -4.284 1.00 0.00 H new ATOM 139 N SER A 10 -1.970 14.982 -3.592 1.00 0.00 N ATOM 140 CA SER A 10 -0.771 14.929 -2.759 1.00 0.00 C ATOM 141 C SER A 10 0.223 13.884 -3.268 1.00 0.00 C ATOM 142 O SER A 10 1.270 13.666 -2.660 1.00 0.00 O ATOM 143 CB SER A 10 -1.145 14.617 -1.308 1.00 0.00 C ATOM 144 OG SER A 10 -1.988 15.619 -0.760 1.00 0.00 O ATOM 0 H SER A 10 -2.053 15.835 -4.145 1.00 0.00 H new ATOM 0 HA SER A 10 -0.294 15.908 -2.811 1.00 0.00 H new ATOM 0 HB2 SER A 10 -1.648 13.651 -1.261 1.00 0.00 H new ATOM 0 HB3 SER A 10 -0.239 14.534 -0.708 1.00 0.00 H new ATOM 0 HG SER A 10 -2.210 15.389 0.166 1.00 0.00 H new ATOM 150 N HIS A 11 -0.120 13.236 -4.385 1.00 0.00 N ATOM 151 CA HIS A 11 0.680 12.147 -4.953 1.00 0.00 C ATOM 152 C HIS A 11 0.767 10.965 -3.986 1.00 0.00 C ATOM 153 O HIS A 11 1.474 9.991 -4.246 1.00 0.00 O ATOM 154 CB HIS A 11 2.082 12.638 -5.339 1.00 0.00 C ATOM 155 CG HIS A 11 2.064 13.699 -6.393 1.00 0.00 C ATOM 156 ND1 HIS A 11 1.828 15.028 -6.114 1.00 0.00 N ATOM 157 CD2 HIS A 11 2.209 13.621 -7.735 1.00 0.00 C ATOM 158 CE1 HIS A 11 1.819 15.718 -7.234 1.00 0.00 C ATOM 159 NE2 HIS A 11 2.052 14.890 -8.233 1.00 0.00 N ATOM 0 H HIS A 11 -0.960 13.452 -4.921 1.00 0.00 H new ATOM 0 HA HIS A 11 0.179 11.805 -5.859 1.00 0.00 H new ATOM 0 HB2 HIS A 11 2.582 13.025 -4.451 1.00 0.00 H new ATOM 0 HB3 HIS A 11 2.671 11.792 -5.693 1.00 0.00 H new ATOM 0 HD2 HIS A 11 2.411 12.728 -8.308 1.00 0.00 H new ATOM 0 HE1 HIS A 11 1.650 16.781 -7.320 1.00 0.00 H new ATOM 0 HE2 HIS A 11 2.107 15.151 -9.218 1.00 0.00 H new ATOM 168 N VAL A 12 0.032 11.070 -2.871 1.00 0.00 N ATOM 169 CA VAL A 12 -0.028 10.032 -1.835 1.00 0.00 C ATOM 170 C VAL A 12 1.353 9.772 -1.205 1.00 0.00 C ATOM 171 O VAL A 12 1.518 8.891 -0.358 1.00 0.00 O ATOM 172 CB VAL A 12 -0.626 8.718 -2.402 1.00 0.00 C ATOM 173 CG1 VAL A 12 -0.930 7.714 -1.298 1.00 0.00 C ATOM 174 CG2 VAL A 12 -1.883 9.012 -3.207 1.00 0.00 C ATOM 0 H VAL A 12 -0.543 11.886 -2.661 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.685 10.400 -1.047 1.00 0.00 H new ATOM 0 HB VAL A 12 0.122 8.273 -3.058 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.347 6.807 -1.736 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -0.011 7.470 -0.765 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.650 8.145 -0.602 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.291 8.080 -3.598 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.623 9.490 -2.565 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.637 9.677 -4.035 1.00 0.00 H new ATOM 184 N GLY A 13 2.337 10.581 -1.583 1.00 0.00 N ATOM 185 CA GLY A 13 3.698 10.350 -1.139 1.00 0.00 C ATOM 186 C GLY A 13 4.243 9.046 -1.685 1.00 0.00 C ATOM 187 O GLY A 13 5.043 8.373 -1.038 1.00 0.00 O ATOM 0 H GLY A 13 2.216 11.392 -2.189 1.00 0.00 H new ATOM 0 HA2 GLY A 13 4.333 11.175 -1.462 1.00 0.00 H new ATOM 0 HA3 GLY A 13 3.729 10.331 -0.050 1.00 0.00 H new ATOM 191 N TRP A 14 3.789 8.690 -2.880 1.00 0.00 N ATOM 192 CA TRP A 14 4.163 7.434 -3.506 1.00 0.00 C ATOM 193 C TRP A 14 5.043 7.661 -4.732 1.00 0.00 C ATOM 194 O TRP A 14 4.809 8.578 -5.528 1.00 0.00 O ATOM 195 CB TRP A 14 2.899 6.655 -3.895 1.00 0.00 C ATOM 196 CG TRP A 14 3.159 5.461 -4.766 1.00 0.00 C ATOM 197 CD1 TRP A 14 3.687 4.263 -4.384 1.00 0.00 C ATOM 198 CD2 TRP A 14 2.892 5.352 -6.168 1.00 0.00 C ATOM 199 NE1 TRP A 14 3.771 3.419 -5.465 1.00 0.00 N ATOM 200 CE2 TRP A 14 3.287 4.064 -6.572 1.00 0.00 C ATOM 201 CE3 TRP A 14 2.360 6.223 -7.120 1.00 0.00 C ATOM 202 CZ2 TRP A 14 3.160 3.625 -7.886 1.00 0.00 C ATOM 203 CZ3 TRP A 14 2.236 5.787 -8.425 1.00 0.00 C ATOM 204 CH2 TRP A 14 2.634 4.497 -8.798 1.00 0.00 C ATOM 0 H TRP A 14 3.155 9.262 -3.438 1.00 0.00 H new ATOM 0 HA TRP A 14 4.742 6.853 -2.788 1.00 0.00 H new ATOM 0 HB2 TRP A 14 2.394 6.326 -2.987 1.00 0.00 H new ATOM 0 HB3 TRP A 14 2.216 7.328 -4.413 1.00 0.00 H new ATOM 0 HD1 TRP A 14 3.994 4.014 -3.379 1.00 0.00 H new ATOM 0 HE1 TRP A 14 4.135 2.466 -5.446 1.00 0.00 H new ATOM 0 HE3 TRP A 14 2.051 7.220 -6.842 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 3.466 2.631 -8.175 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 1.825 6.452 -9.170 1.00 0.00 H new ATOM 0 HH2 TRP A 14 2.523 4.185 -9.826 1.00 0.00 H new ATOM 215 N ASP A 15 6.064 6.829 -4.862 1.00 0.00 N ATOM 216 CA ASP A 15 6.908 6.804 -6.046 1.00 0.00 C ATOM 217 C ASP A 15 6.845 5.415 -6.665 1.00 0.00 C ATOM 218 O ASP A 15 6.964 4.412 -5.967 1.00 0.00 O ATOM 219 CB ASP A 15 8.353 7.158 -5.682 1.00 0.00 C ATOM 220 CG ASP A 15 9.290 7.097 -6.873 1.00 0.00 C ATOM 221 OD1 ASP A 15 9.819 6.008 -7.161 1.00 0.00 O ATOM 222 OD2 ASP A 15 9.502 8.139 -7.531 1.00 0.00 O ATOM 0 H ASP A 15 6.331 6.151 -4.148 1.00 0.00 H new ATOM 0 HA ASP A 15 6.550 7.543 -6.763 1.00 0.00 H new ATOM 0 HB2 ASP A 15 8.380 8.160 -5.255 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.707 6.473 -4.911 1.00 0.00 H new ATOM 227 N PRO A 16 6.634 5.351 -7.990 1.00 0.00 N ATOM 228 CA PRO A 16 6.441 4.096 -8.730 1.00 0.00 C ATOM 229 C PRO A 16 7.529 3.054 -8.486 1.00 0.00 C ATOM 230 O PRO A 16 7.270 1.854 -8.587 1.00 0.00 O ATOM 231 CB PRO A 16 6.453 4.532 -10.204 1.00 0.00 C ATOM 232 CG PRO A 16 6.953 5.937 -10.202 1.00 0.00 C ATOM 233 CD PRO A 16 6.547 6.513 -8.883 1.00 0.00 C ATOM 0 HA PRO A 16 5.521 3.605 -8.411 1.00 0.00 H new ATOM 0 HB2 PRO A 16 7.100 3.887 -10.799 1.00 0.00 H new ATOM 0 HB3 PRO A 16 5.455 4.471 -10.639 1.00 0.00 H new ATOM 0 HG2 PRO A 16 8.036 5.967 -10.325 1.00 0.00 H new ATOM 0 HG3 PRO A 16 6.523 6.506 -11.026 1.00 0.00 H new ATOM 0 HD2 PRO A 16 7.212 7.317 -8.569 1.00 0.00 H new ATOM 0 HD3 PRO A 16 5.539 6.927 -8.914 1.00 0.00 H new ATOM 241 N GLN A 17 8.744 3.504 -8.199 1.00 0.00 N ATOM 242 CA GLN A 17 9.851 2.589 -7.960 1.00 0.00 C ATOM 243 C GLN A 17 10.200 2.507 -6.476 1.00 0.00 C ATOM 244 O GLN A 17 10.446 1.427 -5.947 1.00 0.00 O ATOM 245 CB GLN A 17 11.080 3.011 -8.758 1.00 0.00 C ATOM 246 CG GLN A 17 10.831 3.126 -10.254 1.00 0.00 C ATOM 247 CD GLN A 17 12.103 3.392 -11.037 1.00 0.00 C ATOM 248 OE1 GLN A 17 12.776 2.464 -11.487 1.00 0.00 O ATOM 249 NE2 GLN A 17 12.445 4.659 -11.195 1.00 0.00 N ATOM 0 H GLN A 17 8.986 4.492 -8.126 1.00 0.00 H new ATOM 0 HA GLN A 17 9.533 1.600 -8.290 1.00 0.00 H new ATOM 0 HB2 GLN A 17 11.433 3.972 -8.383 1.00 0.00 H new ATOM 0 HB3 GLN A 17 11.878 2.289 -8.586 1.00 0.00 H new ATOM 0 HG2 GLN A 17 10.372 2.205 -10.614 1.00 0.00 H new ATOM 0 HG3 GLN A 17 10.119 3.930 -10.440 1.00 0.00 H new ATOM 0 HE21 GLN A 17 11.859 5.398 -10.806 1.00 0.00 H new ATOM 0 HE22 GLN A 17 13.295 4.898 -11.706 1.00 0.00 H new ATOM 258 N ASN A 18 10.216 3.658 -5.814 1.00 0.00 N ATOM 259 CA ASN A 18 10.670 3.745 -4.426 1.00 0.00 C ATOM 260 C ASN A 18 9.569 3.400 -3.435 1.00 0.00 C ATOM 261 O ASN A 18 9.832 3.226 -2.247 1.00 0.00 O ATOM 262 CB ASN A 18 11.197 5.142 -4.126 1.00 0.00 C ATOM 263 CG ASN A 18 12.486 5.444 -4.858 1.00 0.00 C ATOM 264 OD1 ASN A 18 13.574 5.221 -4.332 1.00 0.00 O ATOM 265 ND2 ASN A 18 12.380 5.943 -6.078 1.00 0.00 N ATOM 0 H ASN A 18 9.919 4.548 -6.215 1.00 0.00 H new ATOM 0 HA ASN A 18 11.469 3.013 -4.310 1.00 0.00 H new ATOM 0 HB2 ASN A 18 10.443 5.879 -4.405 1.00 0.00 H new ATOM 0 HB3 ASN A 18 11.360 5.243 -3.053 1.00 0.00 H new ATOM 0 HD21 ASN A 18 13.220 6.157 -6.616 1.00 0.00 H new ATOM 0 HD22 ASN A 18 11.459 6.114 -6.481 1.00 0.00 H new ATOM 272 N GLY A 19 8.341 3.334 -3.913 1.00 0.00 N ATOM 273 CA GLY A 19 7.237 2.960 -3.064 1.00 0.00 C ATOM 274 C GLY A 19 6.644 4.135 -2.324 1.00 0.00 C ATOM 275 O GLY A 19 6.849 5.289 -2.703 1.00 0.00 O ATOM 0 H GLY A 19 8.088 3.534 -4.881 1.00 0.00 H new ATOM 0 HA2 GLY A 19 6.462 2.489 -3.669 1.00 0.00 H new ATOM 0 HA3 GLY A 19 7.575 2.215 -2.343 1.00 0.00 H new ATOM 279 N PHE A 20 5.901 3.834 -1.272 1.00 0.00 N ATOM 280 CA PHE A 20 5.295 4.862 -0.437 1.00 0.00 C ATOM 281 C PHE A 20 6.319 5.389 0.551 1.00 0.00 C ATOM 282 O PHE A 20 7.155 4.634 1.047 1.00 0.00 O ATOM 283 CB PHE A 20 4.099 4.301 0.343 1.00 0.00 C ATOM 284 CG PHE A 20 2.932 3.884 -0.503 1.00 0.00 C ATOM 285 CD1 PHE A 20 2.969 2.695 -1.212 1.00 0.00 C ATOM 286 CD2 PHE A 20 1.812 4.691 -0.610 1.00 0.00 C ATOM 287 CE1 PHE A 20 1.906 2.312 -2.006 1.00 0.00 C ATOM 288 CE2 PHE A 20 0.743 4.312 -1.401 1.00 0.00 C ATOM 289 CZ PHE A 20 0.749 3.106 -2.034 1.00 0.00 C ATOM 0 H PHE A 20 5.701 2.879 -0.973 1.00 0.00 H new ATOM 0 HA PHE A 20 4.950 5.666 -1.087 1.00 0.00 H new ATOM 0 HB2 PHE A 20 4.434 3.441 0.924 1.00 0.00 H new ATOM 0 HB3 PHE A 20 3.762 5.055 1.055 1.00 0.00 H new ATOM 0 HD1 PHE A 20 3.840 2.060 -1.143 1.00 0.00 H new ATOM 0 HD2 PHE A 20 1.773 5.626 -0.070 1.00 0.00 H new ATOM 0 HE1 PHE A 20 1.964 1.411 -2.599 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -0.101 4.976 -1.517 1.00 0.00 H new ATOM 0 HZ PHE A 20 -0.132 2.762 -2.555 1.00 0.00 H new ATOM 299 N ASP A 21 6.258 6.677 0.837 1.00 0.00 N ATOM 300 CA ASP A 21 7.139 7.262 1.834 1.00 0.00 C ATOM 301 C ASP A 21 6.726 6.771 3.212 1.00 0.00 C ATOM 302 O ASP A 21 5.748 7.248 3.784 1.00 0.00 O ATOM 303 CB ASP A 21 7.093 8.787 1.783 1.00 0.00 C ATOM 304 CG ASP A 21 8.207 9.421 2.591 1.00 0.00 C ATOM 305 OD1 ASP A 21 8.191 9.306 3.834 1.00 0.00 O ATOM 306 OD2 ASP A 21 9.107 10.038 1.987 1.00 0.00 O ATOM 0 H ASP A 21 5.613 7.334 0.398 1.00 0.00 H new ATOM 0 HA ASP A 21 8.163 6.954 1.623 1.00 0.00 H new ATOM 0 HB2 ASP A 21 7.166 9.116 0.747 1.00 0.00 H new ATOM 0 HB3 ASP A 21 6.131 9.133 2.161 1.00 0.00 H new ATOM 311 N VAL A 22 7.471 5.808 3.731 1.00 0.00 N ATOM 312 CA VAL A 22 7.130 5.151 4.989 1.00 0.00 C ATOM 313 C VAL A 22 7.265 6.080 6.195 1.00 0.00 C ATOM 314 O VAL A 22 6.771 5.770 7.279 1.00 0.00 O ATOM 315 CB VAL A 22 7.979 3.885 5.210 1.00 0.00 C ATOM 316 CG1 VAL A 22 7.581 2.804 4.215 1.00 0.00 C ATOM 317 CG2 VAL A 22 9.467 4.196 5.095 1.00 0.00 C ATOM 0 H VAL A 22 8.326 5.459 3.297 1.00 0.00 H new ATOM 0 HA VAL A 22 6.081 4.867 4.904 1.00 0.00 H new ATOM 0 HB VAL A 22 7.790 3.520 6.219 1.00 0.00 H new ATOM 0 HG11 VAL A 22 8.188 1.914 4.382 1.00 0.00 H new ATOM 0 HG12 VAL A 22 6.528 2.555 4.350 1.00 0.00 H new ATOM 0 HG13 VAL A 22 7.741 3.167 3.200 1.00 0.00 H new ATOM 0 HG21 VAL A 22 10.043 3.284 5.255 1.00 0.00 H new ATOM 0 HG22 VAL A 22 9.681 4.590 4.101 1.00 0.00 H new ATOM 0 HG23 VAL A 22 9.743 4.936 5.846 1.00 0.00 H new ATOM 327 N ASN A 23 7.922 7.215 6.013 1.00 0.00 N ATOM 328 CA ASN A 23 8.041 8.190 7.088 1.00 0.00 C ATOM 329 C ASN A 23 6.855 9.146 7.054 1.00 0.00 C ATOM 330 O ASN A 23 6.300 9.513 8.090 1.00 0.00 O ATOM 331 CB ASN A 23 9.355 8.968 6.972 1.00 0.00 C ATOM 332 CG ASN A 23 9.516 10.008 8.068 1.00 0.00 C ATOM 333 OD1 ASN A 23 9.989 9.703 9.163 1.00 0.00 O ATOM 334 ND2 ASN A 23 9.143 11.245 7.777 1.00 0.00 N ATOM 0 H ASN A 23 8.377 7.483 5.140 1.00 0.00 H new ATOM 0 HA ASN A 23 8.043 7.660 8.040 1.00 0.00 H new ATOM 0 HB2 ASN A 23 10.191 8.270 7.013 1.00 0.00 H new ATOM 0 HB3 ASN A 23 9.397 9.460 6.000 1.00 0.00 H new ATOM 0 HD21 ASN A 23 9.244 11.985 8.472 1.00 0.00 H new ATOM 0 HD22 ASN A 23 8.755 11.458 6.858 1.00 0.00 H new ATOM 341 N ASN A 24 6.462 9.519 5.847 1.00 0.00 N ATOM 342 CA ASN A 24 5.336 10.420 5.630 1.00 0.00 C ATOM 343 C ASN A 24 4.078 9.626 5.304 1.00 0.00 C ATOM 344 O ASN A 24 3.202 10.096 4.577 1.00 0.00 O ATOM 345 CB ASN A 24 5.647 11.388 4.484 1.00 0.00 C ATOM 346 CG ASN A 24 6.771 12.352 4.815 1.00 0.00 C ATOM 347 OD1 ASN A 24 6.535 13.480 5.247 1.00 0.00 O ATOM 348 ND2 ASN A 24 8.007 11.912 4.630 1.00 0.00 N ATOM 0 H ASN A 24 6.914 9.207 4.987 1.00 0.00 H new ATOM 0 HA ASN A 24 5.169 10.990 6.544 1.00 0.00 H new ATOM 0 HB2 ASN A 24 5.915 10.817 3.595 1.00 0.00 H new ATOM 0 HB3 ASN A 24 4.749 11.955 4.240 1.00 0.00 H new ATOM 0 HD21 ASN A 24 8.801 12.515 4.848 1.00 0.00 H new ATOM 0 HD22 ASN A 24 8.165 10.971 4.270 1.00 0.00 H new ATOM 355 N LEU A 25 4.002 8.415 5.842 1.00 0.00 N ATOM 356 CA LEU A 25 2.870 7.533 5.596 1.00 0.00 C ATOM 357 C LEU A 25 1.593 8.078 6.210 1.00 0.00 C ATOM 358 O LEU A 25 1.579 8.518 7.362 1.00 0.00 O ATOM 359 CB LEU A 25 3.140 6.133 6.154 1.00 0.00 C ATOM 360 CG LEU A 25 3.627 5.104 5.139 1.00 0.00 C ATOM 361 CD1 LEU A 25 3.874 3.769 5.820 1.00 0.00 C ATOM 362 CD2 LEU A 25 2.620 4.941 4.018 1.00 0.00 C ATOM 0 H LEU A 25 4.716 8.020 6.455 1.00 0.00 H new ATOM 0 HA LEU A 25 2.740 7.475 4.515 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.883 6.214 6.948 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.224 5.760 6.612 1.00 0.00 H new ATOM 0 HG LEU A 25 4.564 5.460 4.712 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.221 3.044 5.084 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.631 3.890 6.595 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.947 3.413 6.271 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.986 4.203 3.305 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.668 4.606 4.430 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.481 5.896 3.512 1.00 0.00 H new ATOM 374 N ASP A 26 0.531 8.054 5.418 1.00 0.00 N ATOM 375 CA ASP A 26 -0.802 8.406 5.888 1.00 0.00 C ATOM 376 C ASP A 26 -1.209 7.472 7.018 1.00 0.00 C ATOM 377 O ASP A 26 -1.037 6.258 6.923 1.00 0.00 O ATOM 378 CB ASP A 26 -1.806 8.309 4.735 1.00 0.00 C ATOM 379 CG ASP A 26 -3.237 8.505 5.189 1.00 0.00 C ATOM 380 OD1 ASP A 26 -3.697 9.666 5.223 1.00 0.00 O ATOM 381 OD2 ASP A 26 -3.902 7.496 5.509 1.00 0.00 O ATOM 0 H ASP A 26 0.568 7.791 4.433 1.00 0.00 H new ATOM 0 HA ASP A 26 -0.793 9.431 6.259 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -1.562 9.058 3.982 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -1.711 7.334 4.257 1.00 0.00 H new ATOM 386 N PRO A 27 -1.725 8.052 8.115 1.00 0.00 N ATOM 387 CA PRO A 27 -2.104 7.316 9.331 1.00 0.00 C ATOM 388 C PRO A 27 -3.018 6.125 9.068 1.00 0.00 C ATOM 389 O PRO A 27 -2.959 5.125 9.788 1.00 0.00 O ATOM 390 CB PRO A 27 -2.838 8.363 10.168 1.00 0.00 C ATOM 391 CG PRO A 27 -2.286 9.668 9.717 1.00 0.00 C ATOM 392 CD PRO A 27 -1.964 9.501 8.260 1.00 0.00 C ATOM 0 HA PRO A 27 -1.226 6.885 9.813 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -3.915 8.313 10.008 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -2.667 8.208 11.233 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -3.009 10.470 9.867 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -1.394 9.932 10.286 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -2.786 9.836 7.628 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -1.086 10.081 7.975 1.00 0.00 H new ATOM 400 N ASP A 28 -3.858 6.225 8.047 1.00 0.00 N ATOM 401 CA ASP A 28 -4.770 5.139 7.722 1.00 0.00 C ATOM 402 C ASP A 28 -4.066 4.118 6.849 1.00 0.00 C ATOM 403 O ASP A 28 -4.179 2.916 7.086 1.00 0.00 O ATOM 404 CB ASP A 28 -6.035 5.653 7.030 1.00 0.00 C ATOM 405 CG ASP A 28 -6.945 6.438 7.958 1.00 0.00 C ATOM 406 OD1 ASP A 28 -6.611 6.594 9.150 1.00 0.00 O ATOM 407 OD2 ASP A 28 -8.013 6.901 7.499 1.00 0.00 O ATOM 0 H ASP A 28 -3.927 7.038 7.435 1.00 0.00 H new ATOM 0 HA ASP A 28 -5.077 4.665 8.654 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -5.750 6.286 6.189 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -6.587 4.807 6.620 1.00 0.00 H new ATOM 412 N LEU A 29 -3.338 4.594 5.839 1.00 0.00 N ATOM 413 CA LEU A 29 -2.468 3.745 5.051 1.00 0.00 C ATOM 414 C LEU A 29 -1.567 2.901 5.941 1.00 0.00 C ATOM 415 O LEU A 29 -1.525 1.679 5.814 1.00 0.00 O ATOM 416 CB LEU A 29 -1.614 4.617 4.140 1.00 0.00 C ATOM 417 CG LEU A 29 -2.171 4.852 2.743 1.00 0.00 C ATOM 418 CD1 LEU A 29 -3.613 5.318 2.780 1.00 0.00 C ATOM 419 CD2 LEU A 29 -1.310 5.856 2.005 1.00 0.00 C ATOM 0 H LEU A 29 -3.340 5.573 5.552 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.085 3.070 4.458 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.471 5.584 4.622 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.629 4.159 4.047 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.151 3.900 2.212 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -3.971 5.474 1.762 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -4.227 4.562 3.269 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -3.679 6.254 3.335 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.715 6.018 1.006 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.302 6.799 2.551 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.292 5.474 1.926 1.00 0.00 H new ATOM 431 N ARG A 30 -0.866 3.565 6.851 1.00 0.00 N ATOM 432 CA ARG A 30 0.065 2.899 7.750 1.00 0.00 C ATOM 433 C ARG A 30 -0.652 1.794 8.531 1.00 0.00 C ATOM 434 O ARG A 30 -0.136 0.686 8.675 1.00 0.00 O ATOM 435 CB ARG A 30 0.684 3.936 8.695 1.00 0.00 C ATOM 436 CG ARG A 30 1.977 3.497 9.378 1.00 0.00 C ATOM 437 CD ARG A 30 1.740 2.465 10.468 1.00 0.00 C ATOM 438 NE ARG A 30 0.799 2.944 11.479 1.00 0.00 N ATOM 439 CZ ARG A 30 0.413 2.230 12.534 1.00 0.00 C ATOM 440 NH1 ARG A 30 0.907 1.014 12.739 1.00 0.00 N ATOM 441 NH2 ARG A 30 -0.477 2.724 13.384 1.00 0.00 N ATOM 0 H ARG A 30 -0.927 4.574 6.986 1.00 0.00 H new ATOM 0 HA ARG A 30 0.863 2.432 7.173 1.00 0.00 H new ATOM 0 HB2 ARG A 30 0.880 4.848 8.131 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -0.047 4.188 9.463 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.655 3.083 8.632 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.470 4.368 9.809 1.00 0.00 H new ATOM 0 HD2 ARG A 30 1.357 1.547 10.022 1.00 0.00 H new ATOM 0 HD3 ARG A 30 2.688 2.216 10.944 1.00 0.00 H new ATOM 0 HE ARG A 30 0.415 3.882 11.369 1.00 0.00 H new ATOM 0 HH11 ARG A 30 1.586 0.623 12.086 1.00 0.00 H new ATOM 0 HH12 ARG A 30 0.607 0.472 13.549 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -0.868 3.654 13.230 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -0.771 2.174 14.191 1.00 0.00 H new ATOM 455 N SER A 31 -1.854 2.099 9.006 1.00 0.00 N ATOM 456 CA SER A 31 -2.653 1.140 9.759 1.00 0.00 C ATOM 457 C SER A 31 -3.096 -0.012 8.854 1.00 0.00 C ATOM 458 O SER A 31 -2.977 -1.187 9.207 1.00 0.00 O ATOM 459 CB SER A 31 -3.888 1.832 10.344 1.00 0.00 C ATOM 460 OG SER A 31 -4.397 1.119 11.457 1.00 0.00 O ATOM 0 H SER A 31 -2.299 3.009 8.882 1.00 0.00 H new ATOM 0 HA SER A 31 -2.042 0.742 10.569 1.00 0.00 H new ATOM 0 HB2 SER A 31 -3.630 2.847 10.646 1.00 0.00 H new ATOM 0 HB3 SER A 31 -4.659 1.914 9.578 1.00 0.00 H new ATOM 0 HG SER A 31 -5.184 1.584 11.811 1.00 0.00 H new ATOM 466 N LEU A 32 -3.589 0.351 7.679 1.00 0.00 N ATOM 467 CA LEU A 32 -4.142 -0.594 6.723 1.00 0.00 C ATOM 468 C LEU A 32 -3.093 -1.579 6.250 1.00 0.00 C ATOM 469 O LEU A 32 -3.275 -2.792 6.340 1.00 0.00 O ATOM 470 CB LEU A 32 -4.700 0.187 5.534 1.00 0.00 C ATOM 471 CG LEU A 32 -5.604 -0.590 4.584 1.00 0.00 C ATOM 472 CD1 LEU A 32 -4.802 -1.358 3.545 1.00 0.00 C ATOM 473 CD2 LEU A 32 -6.511 -1.527 5.365 1.00 0.00 C ATOM 0 H LEU A 32 -3.616 1.320 7.360 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.934 -1.166 7.207 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.258 1.041 5.917 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.862 0.585 4.961 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.222 0.131 4.049 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.482 -1.899 2.887 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.206 -0.660 2.957 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.142 -2.066 4.046 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -7.151 -2.075 4.673 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.904 -2.232 5.933 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -7.130 -0.947 6.050 1.00 0.00 H new ATOM 485 N PHE A 33 -2.004 -1.041 5.738 1.00 0.00 N ATOM 486 CA PHE A 33 -0.919 -1.852 5.207 1.00 0.00 C ATOM 487 C PHE A 33 -0.356 -2.763 6.287 1.00 0.00 C ATOM 488 O PHE A 33 0.045 -3.890 6.010 1.00 0.00 O ATOM 489 CB PHE A 33 0.182 -0.958 4.628 1.00 0.00 C ATOM 490 CG PHE A 33 -0.308 -0.025 3.554 1.00 0.00 C ATOM 491 CD1 PHE A 33 -1.373 -0.382 2.739 1.00 0.00 C ATOM 492 CD2 PHE A 33 0.301 1.207 3.355 1.00 0.00 C ATOM 493 CE1 PHE A 33 -1.820 0.474 1.752 1.00 0.00 C ATOM 494 CE2 PHE A 33 -0.145 2.061 2.370 1.00 0.00 C ATOM 495 CZ PHE A 33 -1.221 1.698 1.577 1.00 0.00 C ATOM 0 H PHE A 33 -1.844 -0.036 5.677 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.314 -2.476 4.405 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.625 -0.372 5.433 1.00 0.00 H new ATOM 0 HB3 PHE A 33 0.973 -1.587 4.219 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -1.856 -1.338 2.878 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.133 1.499 3.979 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.642 0.181 1.116 1.00 0.00 H new ATOM 0 HE2 PHE A 33 0.344 3.012 2.217 1.00 0.00 H new ATOM 0 HZ PHE A 33 -1.589 2.377 0.822 1.00 0.00 H new ATOM 505 N SER A 34 -0.365 -2.278 7.520 1.00 0.00 N ATOM 506 CA SER A 34 0.104 -3.055 8.653 1.00 0.00 C ATOM 507 C SER A 34 -0.804 -4.261 8.911 1.00 0.00 C ATOM 508 O SER A 34 -0.340 -5.299 9.379 1.00 0.00 O ATOM 509 CB SER A 34 0.193 -2.162 9.887 1.00 0.00 C ATOM 510 OG SER A 34 0.688 -2.865 11.015 1.00 0.00 O ATOM 0 H SER A 34 -0.695 -1.343 7.760 1.00 0.00 H new ATOM 0 HA SER A 34 1.098 -3.441 8.425 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.843 -1.313 9.675 1.00 0.00 H new ATOM 0 HB3 SER A 34 -0.794 -1.759 10.115 1.00 0.00 H new ATOM 0 HG SER A 34 0.732 -2.260 11.784 1.00 0.00 H new ATOM 516 N ARG A 35 -2.092 -4.121 8.605 1.00 0.00 N ATOM 517 CA ARG A 35 -3.027 -5.238 8.714 1.00 0.00 C ATOM 518 C ARG A 35 -2.893 -6.152 7.507 1.00 0.00 C ATOM 519 O ARG A 35 -2.933 -7.375 7.622 1.00 0.00 O ATOM 520 CB ARG A 35 -4.466 -4.752 8.782 1.00 0.00 C ATOM 521 CG ARG A 35 -4.795 -3.976 10.028 1.00 0.00 C ATOM 522 CD ARG A 35 -6.225 -3.464 9.980 1.00 0.00 C ATOM 523 NE ARG A 35 -6.535 -2.572 11.092 1.00 0.00 N ATOM 524 CZ ARG A 35 -7.640 -1.834 11.162 1.00 0.00 C ATOM 525 NH1 ARG A 35 -8.573 -1.934 10.221 1.00 0.00 N ATOM 526 NH2 ARG A 35 -7.825 -1.008 12.182 1.00 0.00 N ATOM 0 H ARG A 35 -2.511 -3.249 8.281 1.00 0.00 H new ATOM 0 HA ARG A 35 -2.784 -5.775 9.631 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -4.668 -4.126 7.913 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -5.132 -5.612 8.716 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -4.660 -4.611 10.904 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -4.107 -3.137 10.133 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -6.388 -2.938 9.040 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -6.912 -4.310 9.995 1.00 0.00 H new ATOM 0 HE ARG A 35 -5.866 -2.511 11.860 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -8.444 -2.578 9.441 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -9.418 -1.366 10.279 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -7.120 -0.937 12.915 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -8.673 -0.443 12.234 1.00 0.00 H new ATOM 540 N ALA A 36 -2.743 -5.527 6.348 1.00 0.00 N ATOM 541 CA ALA A 36 -2.706 -6.237 5.078 1.00 0.00 C ATOM 542 C ALA A 36 -1.419 -7.049 4.924 1.00 0.00 C ATOM 543 O ALA A 36 -1.330 -7.931 4.071 1.00 0.00 O ATOM 544 CB ALA A 36 -2.865 -5.250 3.929 1.00 0.00 C ATOM 0 H ALA A 36 -2.644 -4.516 6.262 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.536 -6.943 5.058 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.836 -5.787 2.981 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.819 -4.732 4.024 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -2.053 -4.523 3.959 1.00 0.00 H new ATOM 550 N GLY A 37 -0.421 -6.738 5.740 1.00 0.00 N ATOM 551 CA GLY A 37 0.798 -7.521 5.745 1.00 0.00 C ATOM 552 C GLY A 37 1.960 -6.803 5.095 1.00 0.00 C ATOM 553 O GLY A 37 3.081 -7.312 5.080 1.00 0.00 O ATOM 0 H GLY A 37 -0.434 -5.958 6.398 1.00 0.00 H new ATOM 0 HA2 GLY A 37 1.060 -7.770 6.773 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.622 -8.462 5.224 1.00 0.00 H new ATOM 557 N ILE A 38 1.702 -5.617 4.564 1.00 0.00 N ATOM 558 CA ILE A 38 2.746 -4.843 3.917 1.00 0.00 C ATOM 559 C ILE A 38 3.660 -4.207 4.959 1.00 0.00 C ATOM 560 O ILE A 38 3.226 -3.374 5.757 1.00 0.00 O ATOM 561 CB ILE A 38 2.195 -3.717 3.014 1.00 0.00 C ATOM 562 CG1 ILE A 38 1.256 -4.244 1.923 1.00 0.00 C ATOM 563 CG2 ILE A 38 3.347 -2.964 2.374 1.00 0.00 C ATOM 564 CD1 ILE A 38 -0.172 -4.419 2.367 1.00 0.00 C ATOM 0 H ILE A 38 0.784 -5.173 4.569 1.00 0.00 H new ATOM 0 HA ILE A 38 3.294 -5.547 3.291 1.00 0.00 H new ATOM 0 HB ILE A 38 1.613 -3.050 3.649 1.00 0.00 H new ATOM 0 HG12 ILE A 38 1.280 -3.557 1.077 1.00 0.00 H new ATOM 0 HG13 ILE A 38 1.634 -5.202 1.567 1.00 0.00 H new ATOM 0 HG21 ILE A 38 2.954 -2.171 1.738 1.00 0.00 H new ATOM 0 HG22 ILE A 38 3.974 -2.528 3.152 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.941 -3.651 1.772 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -0.768 -4.795 1.535 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -0.212 -5.130 3.193 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -0.571 -3.459 2.695 1.00 0.00 H new ATOM 576 N SER A 39 4.918 -4.611 4.961 1.00 0.00 N ATOM 577 CA SER A 39 5.907 -3.986 5.820 1.00 0.00 C ATOM 578 C SER A 39 6.588 -2.852 5.060 1.00 0.00 C ATOM 579 O SER A 39 6.464 -2.776 3.839 1.00 0.00 O ATOM 580 CB SER A 39 6.927 -5.016 6.302 1.00 0.00 C ATOM 581 OG SER A 39 7.833 -4.455 7.241 1.00 0.00 O ATOM 0 H SER A 39 5.278 -5.367 4.379 1.00 0.00 H new ATOM 0 HA SER A 39 5.415 -3.575 6.701 1.00 0.00 H new ATOM 0 HB2 SER A 39 6.407 -5.859 6.757 1.00 0.00 H new ATOM 0 HB3 SER A 39 7.482 -5.406 5.449 1.00 0.00 H new ATOM 0 HG SER A 39 7.439 -3.648 7.634 1.00 0.00 H new ATOM 587 N GLU A 40 7.291 -1.983 5.778 1.00 0.00 N ATOM 588 CA GLU A 40 7.915 -0.796 5.194 1.00 0.00 C ATOM 589 C GLU A 40 8.702 -1.132 3.929 1.00 0.00 C ATOM 590 O GLU A 40 8.561 -0.460 2.907 1.00 0.00 O ATOM 591 CB GLU A 40 8.839 -0.122 6.213 1.00 0.00 C ATOM 592 CG GLU A 40 8.183 0.153 7.560 1.00 0.00 C ATOM 593 CD GLU A 40 8.272 -1.025 8.515 1.00 0.00 C ATOM 594 OE1 GLU A 40 7.456 -1.958 8.380 1.00 0.00 O ATOM 595 OE2 GLU A 40 9.150 -1.019 9.406 1.00 0.00 O ATOM 0 H GLU A 40 7.446 -2.079 6.782 1.00 0.00 H new ATOM 0 HA GLU A 40 7.113 -0.110 4.920 1.00 0.00 H new ATOM 0 HB2 GLU A 40 9.713 -0.754 6.369 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.197 0.819 5.796 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.656 1.021 8.018 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.135 0.407 7.402 1.00 0.00 H new ATOM 602 N ALA A 41 9.520 -2.180 3.997 1.00 0.00 N ATOM 603 CA ALA A 41 10.295 -2.620 2.840 1.00 0.00 C ATOM 604 C ALA A 41 9.374 -2.992 1.681 1.00 0.00 C ATOM 605 O ALA A 41 9.508 -2.473 0.581 1.00 0.00 O ATOM 606 CB ALA A 41 11.188 -3.796 3.207 1.00 0.00 C ATOM 0 H ALA A 41 9.663 -2.739 4.838 1.00 0.00 H new ATOM 0 HA ALA A 41 10.929 -1.792 2.523 1.00 0.00 H new ATOM 0 HB1 ALA A 41 11.757 -4.108 2.331 1.00 0.00 H new ATOM 0 HB2 ALA A 41 11.875 -3.498 3.999 1.00 0.00 H new ATOM 0 HB3 ALA A 41 10.572 -4.626 3.555 1.00 0.00 H new ATOM 612 N GLN A 42 8.416 -3.866 1.955 1.00 0.00 N ATOM 613 CA GLN A 42 7.460 -4.321 0.942 1.00 0.00 C ATOM 614 C GLN A 42 6.751 -3.122 0.309 1.00 0.00 C ATOM 615 O GLN A 42 6.516 -3.076 -0.896 1.00 0.00 O ATOM 616 CB GLN A 42 6.419 -5.250 1.578 1.00 0.00 C ATOM 617 CG GLN A 42 5.692 -6.137 0.581 1.00 0.00 C ATOM 618 CD GLN A 42 4.494 -6.846 1.182 1.00 0.00 C ATOM 619 OE1 GLN A 42 3.379 -6.338 1.152 1.00 0.00 O ATOM 620 NE2 GLN A 42 4.711 -8.028 1.737 1.00 0.00 N ATOM 0 H GLN A 42 8.276 -4.280 2.877 1.00 0.00 H new ATOM 0 HA GLN A 42 8.006 -4.865 0.171 1.00 0.00 H new ATOM 0 HB2 GLN A 42 6.913 -5.881 2.317 1.00 0.00 H new ATOM 0 HB3 GLN A 42 5.686 -4.646 2.113 1.00 0.00 H new ATOM 0 HG2 GLN A 42 5.363 -5.531 -0.263 1.00 0.00 H new ATOM 0 HG3 GLN A 42 6.387 -6.879 0.189 1.00 0.00 H new ATOM 0 HE21 GLN A 42 5.652 -8.423 1.745 1.00 0.00 H new ATOM 0 HE22 GLN A 42 3.938 -8.544 2.156 1.00 0.00 H new ATOM 629 N LEU A 43 6.443 -2.141 1.146 1.00 0.00 N ATOM 630 CA LEU A 43 5.725 -0.945 0.729 1.00 0.00 C ATOM 631 C LEU A 43 6.605 -0.047 -0.132 1.00 0.00 C ATOM 632 O LEU A 43 6.120 0.886 -0.776 1.00 0.00 O ATOM 633 CB LEU A 43 5.265 -0.190 1.975 1.00 0.00 C ATOM 634 CG LEU A 43 4.327 0.984 1.741 1.00 0.00 C ATOM 635 CD1 LEU A 43 2.988 0.492 1.222 1.00 0.00 C ATOM 636 CD2 LEU A 43 4.145 1.759 3.029 1.00 0.00 C ATOM 0 H LEU A 43 6.685 -2.153 2.137 1.00 0.00 H new ATOM 0 HA LEU A 43 4.864 -1.238 0.128 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.770 -0.897 2.640 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.148 0.176 2.499 1.00 0.00 H new ATOM 0 HG LEU A 43 4.763 1.645 0.992 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.326 1.343 1.059 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.135 -0.039 0.281 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.540 -0.181 1.953 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.472 2.599 2.856 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.720 1.105 3.790 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.111 2.132 3.369 1.00 0.00 H new ATOM 648 N THR A 44 7.895 -0.331 -0.139 1.00 0.00 N ATOM 649 CA THR A 44 8.839 0.452 -0.907 1.00 0.00 C ATOM 650 C THR A 44 9.523 -0.406 -1.967 1.00 0.00 C ATOM 651 O THR A 44 10.600 -0.067 -2.464 1.00 0.00 O ATOM 652 CB THR A 44 9.882 1.121 0.014 1.00 0.00 C ATOM 653 OG1 THR A 44 10.440 0.157 0.917 1.00 0.00 O ATOM 654 CG2 THR A 44 9.240 2.249 0.809 1.00 0.00 C ATOM 0 H THR A 44 8.312 -1.102 0.382 1.00 0.00 H new ATOM 0 HA THR A 44 8.284 1.240 -1.416 1.00 0.00 H new ATOM 0 HB THR A 44 10.677 1.530 -0.610 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.778 -0.069 1.604 1.00 0.00 H new ATOM 0 HG21 THR A 44 9.988 2.711 1.454 1.00 0.00 H new ATOM 0 HG22 THR A 44 8.841 2.996 0.123 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.431 1.849 1.420 1.00 0.00 H new ATOM 662 N ASP A 45 8.892 -1.531 -2.295 1.00 0.00 N ATOM 663 CA ASP A 45 9.348 -2.376 -3.393 1.00 0.00 C ATOM 664 C ASP A 45 8.670 -1.962 -4.693 1.00 0.00 C ATOM 665 O ASP A 45 7.536 -1.472 -4.675 1.00 0.00 O ATOM 666 CB ASP A 45 9.079 -3.860 -3.109 1.00 0.00 C ATOM 667 CG ASP A 45 10.208 -4.520 -2.338 1.00 0.00 C ATOM 668 OD1 ASP A 45 11.266 -4.793 -2.944 1.00 0.00 O ATOM 669 OD2 ASP A 45 10.055 -4.759 -1.122 1.00 0.00 O ATOM 0 H ASP A 45 8.062 -1.878 -1.814 1.00 0.00 H new ATOM 0 HA ASP A 45 10.425 -2.242 -3.491 1.00 0.00 H new ATOM 0 HB2 ASP A 45 8.153 -3.956 -2.543 1.00 0.00 H new ATOM 0 HB3 ASP A 45 8.932 -4.386 -4.052 1.00 0.00 H new ATOM 674 N ALA A 46 9.365 -2.164 -5.808 1.00 0.00 N ATOM 675 CA ALA A 46 8.937 -1.655 -7.112 1.00 0.00 C ATOM 676 C ALA A 46 7.514 -2.071 -7.479 1.00 0.00 C ATOM 677 O ALA A 46 6.621 -1.227 -7.623 1.00 0.00 O ATOM 678 CB ALA A 46 9.896 -2.133 -8.189 1.00 0.00 C ATOM 0 H ALA A 46 10.241 -2.685 -5.836 1.00 0.00 H new ATOM 0 HA ALA A 46 8.946 -0.567 -7.044 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.574 -1.752 -9.158 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.900 -1.768 -7.971 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.904 -3.223 -8.212 1.00 0.00 H new ATOM 684 N GLU A 47 7.308 -3.370 -7.624 1.00 0.00 N ATOM 685 CA GLU A 47 6.031 -3.892 -8.082 1.00 0.00 C ATOM 686 C GLU A 47 4.992 -3.819 -6.973 1.00 0.00 C ATOM 687 O GLU A 47 3.822 -3.519 -7.223 1.00 0.00 O ATOM 688 CB GLU A 47 6.177 -5.340 -8.582 1.00 0.00 C ATOM 689 CG GLU A 47 6.775 -6.305 -7.564 1.00 0.00 C ATOM 690 CD GLU A 47 8.288 -6.260 -7.512 1.00 0.00 C ATOM 691 OE1 GLU A 47 8.833 -5.358 -6.846 1.00 0.00 O ATOM 692 OE2 GLU A 47 8.933 -7.119 -8.141 1.00 0.00 O ATOM 0 H GLU A 47 8.011 -4.084 -7.431 1.00 0.00 H new ATOM 0 HA GLU A 47 5.695 -3.274 -8.914 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.195 -5.709 -8.880 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.802 -5.341 -9.475 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.377 -6.072 -6.576 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.457 -7.319 -7.805 1.00 0.00 H new ATOM 699 N THR A 48 5.432 -4.063 -5.749 1.00 0.00 N ATOM 700 CA THR A 48 4.538 -4.111 -4.607 1.00 0.00 C ATOM 701 C THR A 48 3.832 -2.782 -4.385 1.00 0.00 C ATOM 702 O THR A 48 2.605 -2.724 -4.390 1.00 0.00 O ATOM 703 CB THR A 48 5.293 -4.510 -3.334 1.00 0.00 C ATOM 704 OG1 THR A 48 6.090 -5.672 -3.595 1.00 0.00 O ATOM 705 CG2 THR A 48 4.315 -4.796 -2.207 1.00 0.00 C ATOM 0 H THR A 48 6.412 -4.232 -5.522 1.00 0.00 H new ATOM 0 HA THR A 48 3.784 -4.867 -4.828 1.00 0.00 H new ATOM 0 HB THR A 48 5.940 -3.686 -3.032 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.978 -5.397 -3.906 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.866 -5.078 -1.310 1.00 0.00 H new ATOM 0 HG22 THR A 48 3.723 -3.904 -2.004 1.00 0.00 H new ATOM 0 HG23 THR A 48 3.653 -5.612 -2.498 1.00 0.00 H new ATOM 713 N SER A 49 4.604 -1.719 -4.224 1.00 0.00 N ATOM 714 CA SER A 49 4.043 -0.408 -3.931 1.00 0.00 C ATOM 715 C SER A 49 3.117 0.050 -5.048 1.00 0.00 C ATOM 716 O SER A 49 2.055 0.620 -4.799 1.00 0.00 O ATOM 717 CB SER A 49 5.163 0.606 -3.741 1.00 0.00 C ATOM 718 OG SER A 49 5.974 0.692 -4.900 1.00 0.00 O ATOM 0 H SER A 49 5.622 -1.738 -4.291 1.00 0.00 H new ATOM 0 HA SER A 49 3.462 -0.483 -3.012 1.00 0.00 H new ATOM 0 HB2 SER A 49 4.738 1.584 -3.517 1.00 0.00 H new ATOM 0 HB3 SER A 49 5.775 0.321 -2.885 1.00 0.00 H new ATOM 0 HG SER A 49 6.618 -0.047 -4.904 1.00 0.00 H new ATOM 724 N LYS A 50 3.531 -0.211 -6.280 1.00 0.00 N ATOM 725 CA LYS A 50 2.760 0.173 -7.446 1.00 0.00 C ATOM 726 C LYS A 50 1.413 -0.539 -7.453 1.00 0.00 C ATOM 727 O LYS A 50 0.381 0.068 -7.741 1.00 0.00 O ATOM 728 CB LYS A 50 3.543 -0.154 -8.716 1.00 0.00 C ATOM 729 CG LYS A 50 2.934 0.430 -9.979 1.00 0.00 C ATOM 730 CD LYS A 50 3.758 0.105 -11.215 1.00 0.00 C ATOM 731 CE LYS A 50 5.108 0.797 -11.185 1.00 0.00 C ATOM 732 NZ LYS A 50 6.111 0.073 -10.355 1.00 0.00 N ATOM 0 H LYS A 50 4.405 -0.691 -6.495 1.00 0.00 H new ATOM 0 HA LYS A 50 2.578 1.247 -7.410 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.562 0.218 -8.609 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.609 -1.237 -8.823 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.923 0.043 -10.106 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.850 1.512 -9.874 1.00 0.00 H new ATOM 0 HD2 LYS A 50 3.903 -0.973 -11.283 1.00 0.00 H new ATOM 0 HD3 LYS A 50 3.212 0.410 -12.108 1.00 0.00 H new ATOM 0 HE2 LYS A 50 5.486 0.890 -12.203 1.00 0.00 H new ATOM 0 HE3 LYS A 50 4.984 1.808 -10.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 6.348 0.645 -9.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 5.716 -0.839 -10.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 6.971 -0.093 -10.916 1.00 0.00 H new ATOM 746 N LEU A 51 1.422 -1.824 -7.119 1.00 0.00 N ATOM 747 CA LEU A 51 0.195 -2.603 -7.073 1.00 0.00 C ATOM 748 C LEU A 51 -0.635 -2.258 -5.843 1.00 0.00 C ATOM 749 O LEU A 51 -1.859 -2.341 -5.885 1.00 0.00 O ATOM 750 CB LEU A 51 0.489 -4.103 -7.123 1.00 0.00 C ATOM 751 CG LEU A 51 0.930 -4.617 -8.495 1.00 0.00 C ATOM 752 CD1 LEU A 51 1.184 -6.110 -8.453 1.00 0.00 C ATOM 753 CD2 LEU A 51 -0.115 -4.293 -9.548 1.00 0.00 C ATOM 0 H LEU A 51 2.264 -2.346 -6.877 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.389 -2.343 -7.956 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.268 -4.332 -6.396 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.405 -4.646 -6.815 1.00 0.00 H new ATOM 0 HG LEU A 51 1.860 -4.115 -8.761 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.496 -6.454 -9.439 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.969 -6.325 -7.728 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.270 -6.627 -8.162 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.217 -4.666 -10.517 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.060 -4.766 -9.281 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.253 -3.213 -9.603 1.00 0.00 H new ATOM 765 N ILE A 52 0.020 -1.881 -4.747 1.00 0.00 N ATOM 766 CA ILE A 52 -0.699 -1.385 -3.583 1.00 0.00 C ATOM 767 C ILE A 52 -1.455 -0.105 -3.920 1.00 0.00 C ATOM 768 O ILE A 52 -2.622 0.041 -3.569 1.00 0.00 O ATOM 769 CB ILE A 52 0.230 -1.118 -2.385 1.00 0.00 C ATOM 770 CG1 ILE A 52 0.889 -2.416 -1.925 1.00 0.00 C ATOM 771 CG2 ILE A 52 -0.549 -0.485 -1.242 1.00 0.00 C ATOM 772 CD1 ILE A 52 1.785 -2.238 -0.723 1.00 0.00 C ATOM 0 H ILE A 52 1.034 -1.910 -4.643 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.401 -2.169 -3.300 1.00 0.00 H new ATOM 0 HB ILE A 52 1.011 -0.425 -2.698 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.114 -3.144 -1.687 1.00 0.00 H new ATOM 0 HG13 ILE A 52 1.473 -2.830 -2.747 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.121 -0.302 -0.402 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -0.980 0.459 -1.575 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.347 -1.158 -0.929 1.00 0.00 H new ATOM 0 HD11 ILE A 52 2.221 -3.199 -0.449 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.581 -1.534 -0.964 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.201 -1.853 0.113 1.00 0.00 H new ATOM 784 N TYR A 53 -0.801 0.822 -4.611 1.00 0.00 N ATOM 785 CA TYR A 53 -1.476 2.043 -5.019 1.00 0.00 C ATOM 786 C TYR A 53 -2.552 1.725 -6.053 1.00 0.00 C ATOM 787 O TYR A 53 -3.646 2.288 -6.021 1.00 0.00 O ATOM 788 CB TYR A 53 -0.502 3.086 -5.572 1.00 0.00 C ATOM 789 CG TYR A 53 -1.223 4.331 -6.020 1.00 0.00 C ATOM 790 CD1 TYR A 53 -1.743 5.228 -5.097 1.00 0.00 C ATOM 791 CD2 TYR A 53 -1.334 4.637 -7.372 1.00 0.00 C ATOM 792 CE1 TYR A 53 -2.361 6.392 -5.508 1.00 0.00 C ATOM 793 CE2 TYR A 53 -1.938 5.804 -7.788 1.00 0.00 C ATOM 794 CZ TYR A 53 -2.645 6.571 -6.834 1.00 0.00 C ATOM 795 OH TYR A 53 -3.030 7.850 -7.268 1.00 0.00 O ATOM 0 H TYR A 53 0.176 0.753 -4.895 1.00 0.00 H new ATOM 0 HA TYR A 53 -1.939 2.473 -4.131 1.00 0.00 H new ATOM 0 HB2 TYR A 53 0.230 3.344 -4.807 1.00 0.00 H new ATOM 0 HB3 TYR A 53 0.050 2.662 -6.411 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -1.663 5.012 -4.042 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -0.941 3.950 -8.107 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -2.618 7.155 -4.788 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -1.873 6.124 -8.817 1.00 0.00 H new ATOM 0 HH TYR A 53 -2.501 8.528 -6.798 1.00 0.00 H new ATOM 805 N ASP A 54 -2.236 0.805 -6.958 1.00 0.00 N ATOM 806 CA ASP A 54 -3.203 0.320 -7.940 1.00 0.00 C ATOM 807 C ASP A 54 -4.421 -0.258 -7.229 1.00 0.00 C ATOM 808 O ASP A 54 -5.557 -0.107 -7.678 1.00 0.00 O ATOM 809 CB ASP A 54 -2.556 -0.745 -8.830 1.00 0.00 C ATOM 810 CG ASP A 54 -3.538 -1.395 -9.779 1.00 0.00 C ATOM 811 OD1 ASP A 54 -3.839 -0.795 -10.829 1.00 0.00 O ATOM 812 OD2 ASP A 54 -4.021 -2.506 -9.475 1.00 0.00 O ATOM 0 H ASP A 54 -1.313 0.377 -7.033 1.00 0.00 H new ATOM 0 HA ASP A 54 -3.523 1.153 -8.565 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.750 -0.290 -9.405 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.105 -1.512 -8.201 1.00 0.00 H new ATOM 817 N PHE A 55 -4.152 -0.912 -6.111 1.00 0.00 N ATOM 818 CA PHE A 55 -5.183 -1.428 -5.228 1.00 0.00 C ATOM 819 C PHE A 55 -6.070 -0.297 -4.729 1.00 0.00 C ATOM 820 O PHE A 55 -7.289 -0.342 -4.872 1.00 0.00 O ATOM 821 CB PHE A 55 -4.526 -2.142 -4.042 1.00 0.00 C ATOM 822 CG PHE A 55 -5.464 -2.436 -2.914 1.00 0.00 C ATOM 823 CD1 PHE A 55 -6.309 -3.543 -2.952 1.00 0.00 C ATOM 824 CD2 PHE A 55 -5.498 -1.609 -1.808 1.00 0.00 C ATOM 825 CE1 PHE A 55 -7.159 -3.808 -1.901 1.00 0.00 C ATOM 826 CE2 PHE A 55 -6.348 -1.871 -0.760 1.00 0.00 C ATOM 827 CZ PHE A 55 -7.224 -2.987 -0.848 1.00 0.00 C ATOM 0 H PHE A 55 -3.203 -1.101 -5.789 1.00 0.00 H new ATOM 0 HA PHE A 55 -5.803 -2.134 -5.779 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -4.089 -3.078 -4.391 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.707 -1.527 -3.669 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -6.298 -4.198 -3.811 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -4.849 -0.747 -1.766 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -7.781 -4.690 -1.928 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -6.350 -1.239 0.116 1.00 0.00 H new ATOM 0 HZ PHE A 55 -7.943 -3.172 -0.063 1.00 0.00 H new ATOM 837 N ILE A 56 -5.432 0.709 -4.149 1.00 0.00 N ATOM 838 CA ILE A 56 -6.121 1.866 -3.604 1.00 0.00 C ATOM 839 C ILE A 56 -6.975 2.541 -4.675 1.00 0.00 C ATOM 840 O ILE A 56 -8.119 2.924 -4.426 1.00 0.00 O ATOM 841 CB ILE A 56 -5.094 2.858 -3.022 1.00 0.00 C ATOM 842 CG1 ILE A 56 -4.275 2.153 -1.936 1.00 0.00 C ATOM 843 CG2 ILE A 56 -5.780 4.091 -2.459 1.00 0.00 C ATOM 844 CD1 ILE A 56 -3.180 3.003 -1.336 1.00 0.00 C ATOM 0 H ILE A 56 -4.418 0.744 -4.044 1.00 0.00 H new ATOM 0 HA ILE A 56 -6.785 1.536 -2.805 1.00 0.00 H new ATOM 0 HB ILE A 56 -4.431 3.190 -3.821 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -4.948 1.832 -1.140 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -3.830 1.253 -2.359 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -5.031 4.772 -2.056 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -6.336 4.592 -3.251 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -6.466 3.795 -1.665 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.649 2.429 -0.576 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.482 3.303 -2.118 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.617 3.891 -0.880 1.00 0.00 H new ATOM 856 N GLU A 57 -6.411 2.657 -5.867 1.00 0.00 N ATOM 857 CA GLU A 57 -7.139 3.150 -7.029 1.00 0.00 C ATOM 858 C GLU A 57 -8.381 2.299 -7.295 1.00 0.00 C ATOM 859 O GLU A 57 -9.489 2.818 -7.414 1.00 0.00 O ATOM 860 CB GLU A 57 -6.226 3.113 -8.251 1.00 0.00 C ATOM 861 CG GLU A 57 -5.272 4.291 -8.357 1.00 0.00 C ATOM 862 CD GLU A 57 -5.982 5.596 -8.653 1.00 0.00 C ATOM 863 OE1 GLU A 57 -6.702 5.676 -9.671 1.00 0.00 O ATOM 864 OE2 GLU A 57 -5.848 6.543 -7.850 1.00 0.00 O ATOM 0 H GLU A 57 -5.439 2.413 -6.057 1.00 0.00 H new ATOM 0 HA GLU A 57 -7.457 4.174 -6.831 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.645 2.191 -8.227 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.842 3.078 -9.149 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -4.717 4.388 -7.424 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -4.543 4.093 -9.143 1.00 0.00 H new ATOM 871 N ASP A 58 -8.176 0.988 -7.363 1.00 0.00 N ATOM 872 CA ASP A 58 -9.247 0.033 -7.662 1.00 0.00 C ATOM 873 C ASP A 58 -10.384 0.102 -6.641 1.00 0.00 C ATOM 874 O ASP A 58 -11.542 -0.141 -6.979 1.00 0.00 O ATOM 875 CB ASP A 58 -8.683 -1.391 -7.713 1.00 0.00 C ATOM 876 CG ASP A 58 -9.761 -2.449 -7.873 1.00 0.00 C ATOM 877 OD1 ASP A 58 -10.305 -2.582 -8.990 1.00 0.00 O ATOM 878 OD2 ASP A 58 -10.069 -3.150 -6.892 1.00 0.00 O ATOM 0 H ASP A 58 -7.265 0.554 -7.213 1.00 0.00 H new ATOM 0 HA ASP A 58 -9.659 0.303 -8.634 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.980 -1.468 -8.542 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.122 -1.587 -6.799 1.00 0.00 H new ATOM 883 N GLN A 59 -10.052 0.440 -5.397 1.00 0.00 N ATOM 884 CA GLN A 59 -11.053 0.511 -4.331 1.00 0.00 C ATOM 885 C GLN A 59 -11.962 1.726 -4.518 1.00 0.00 C ATOM 886 O GLN A 59 -13.033 1.819 -3.917 1.00 0.00 O ATOM 887 CB GLN A 59 -10.386 0.582 -2.949 1.00 0.00 C ATOM 888 CG GLN A 59 -9.393 -0.539 -2.667 1.00 0.00 C ATOM 889 CD GLN A 59 -9.978 -1.926 -2.852 1.00 0.00 C ATOM 890 OE1 GLN A 59 -9.812 -2.476 -4.039 1.00 0.00 O flip ATOM 891 NE2 GLN A 59 -10.535 -2.512 -1.930 1.00 0.00 N flip ATOM 0 H GLN A 59 -9.103 0.668 -5.102 1.00 0.00 H new ATOM 0 HA GLN A 59 -11.653 -0.397 -4.387 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -9.871 1.538 -2.857 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -11.162 0.564 -2.184 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -8.532 -0.425 -3.326 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -9.027 -0.441 -1.645 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -10.644 -2.053 -1.026 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -10.889 -3.459 -2.067 1.00 0.00 H new ATOM 900 N GLY A 60 -11.538 2.652 -5.370 1.00 0.00 N ATOM 901 CA GLY A 60 -12.300 3.864 -5.585 1.00 0.00 C ATOM 902 C GLY A 60 -11.515 5.109 -5.216 1.00 0.00 C ATOM 903 O GLY A 60 -12.068 6.207 -5.161 1.00 0.00 O ATOM 0 H GLY A 60 -10.679 2.583 -5.916 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -12.599 3.922 -6.632 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -13.215 3.825 -4.994 1.00 0.00 H new ATOM 907 N GLY A 61 -10.228 4.933 -4.950 1.00 0.00 N ATOM 908 CA GLY A 61 -9.367 6.062 -4.665 1.00 0.00 C ATOM 909 C GLY A 61 -8.848 6.057 -3.242 1.00 0.00 C ATOM 910 O GLY A 61 -9.150 5.150 -2.466 1.00 0.00 O ATOM 0 H GLY A 61 -9.764 4.025 -4.927 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -8.523 6.054 -5.355 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -9.916 6.987 -4.844 1.00 0.00 H new ATOM 914 N LEU A 62 -8.081 7.088 -2.899 1.00 0.00 N ATOM 915 CA LEU A 62 -7.406 7.167 -1.606 1.00 0.00 C ATOM 916 C LEU A 62 -8.397 7.154 -0.441 1.00 0.00 C ATOM 917 O LEU A 62 -8.141 6.536 0.593 1.00 0.00 O ATOM 918 CB LEU A 62 -6.545 8.431 -1.547 1.00 0.00 C ATOM 919 CG LEU A 62 -5.599 8.518 -0.347 1.00 0.00 C ATOM 920 CD1 LEU A 62 -4.613 7.358 -0.355 1.00 0.00 C ATOM 921 CD2 LEU A 62 -4.858 9.845 -0.350 1.00 0.00 C ATOM 0 H LEU A 62 -7.910 7.889 -3.506 1.00 0.00 H new ATOM 0 HA LEU A 62 -6.773 6.285 -1.508 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.954 8.492 -2.461 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.203 9.300 -1.535 1.00 0.00 H new ATOM 0 HG LEU A 62 -6.194 8.455 0.564 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.950 7.438 0.506 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -5.159 6.416 -0.306 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.023 7.388 -1.271 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -4.190 9.890 0.510 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -4.276 9.935 -1.267 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -5.576 10.663 -0.295 1.00 0.00 H new ATOM 933 N GLU A 63 -9.529 7.829 -0.614 1.00 0.00 N ATOM 934 CA GLU A 63 -10.527 7.928 0.446 1.00 0.00 C ATOM 935 C GLU A 63 -11.153 6.575 0.760 1.00 0.00 C ATOM 936 O GLU A 63 -11.517 6.310 1.904 1.00 0.00 O ATOM 937 CB GLU A 63 -11.634 8.912 0.069 1.00 0.00 C ATOM 938 CG GLU A 63 -11.202 10.363 0.067 1.00 0.00 C ATOM 939 CD GLU A 63 -12.376 11.301 -0.116 1.00 0.00 C ATOM 940 OE1 GLU A 63 -13.106 11.545 0.867 1.00 0.00 O ATOM 941 OE2 GLU A 63 -12.594 11.766 -1.248 1.00 0.00 O ATOM 0 H GLU A 63 -9.778 8.315 -1.476 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.005 8.289 1.333 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -12.011 8.656 -0.921 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -12.463 8.793 0.766 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -10.697 10.593 1.005 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -10.479 10.526 -0.733 1.00 0.00 H new ATOM 948 N ALA A 64 -11.272 5.725 -0.252 1.00 0.00 N ATOM 949 CA ALA A 64 -11.960 4.450 -0.106 1.00 0.00 C ATOM 950 C ALA A 64 -11.286 3.568 0.937 1.00 0.00 C ATOM 951 O ALA A 64 -11.911 3.174 1.917 1.00 0.00 O ATOM 952 CB ALA A 64 -12.028 3.730 -1.441 1.00 0.00 C ATOM 0 H ALA A 64 -10.899 5.897 -1.186 1.00 0.00 H new ATOM 0 HA ALA A 64 -12.974 4.657 0.237 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -12.545 2.779 -1.315 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -12.570 4.345 -2.159 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -11.018 3.548 -1.808 1.00 0.00 H new ATOM 958 N VAL A 65 -9.996 3.314 0.749 1.00 0.00 N ATOM 959 CA VAL A 65 -9.264 2.366 1.588 1.00 0.00 C ATOM 960 C VAL A 65 -9.277 2.808 3.046 1.00 0.00 C ATOM 961 O VAL A 65 -9.343 1.990 3.963 1.00 0.00 O ATOM 962 CB VAL A 65 -7.807 2.216 1.109 1.00 0.00 C ATOM 963 CG1 VAL A 65 -7.069 1.158 1.914 1.00 0.00 C ATOM 964 CG2 VAL A 65 -7.769 1.881 -0.372 1.00 0.00 C ATOM 0 H VAL A 65 -9.432 3.752 0.021 1.00 0.00 H new ATOM 0 HA VAL A 65 -9.765 1.401 1.505 1.00 0.00 H new ATOM 0 HB VAL A 65 -7.301 3.169 1.266 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -6.044 1.075 1.553 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -7.061 1.441 2.966 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -7.572 0.198 1.801 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -6.733 1.778 -0.695 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -8.298 0.944 -0.547 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -8.248 2.680 -0.938 1.00 0.00 H new ATOM 974 N ARG A 66 -9.242 4.114 3.244 1.00 0.00 N ATOM 975 CA ARG A 66 -9.256 4.693 4.577 1.00 0.00 C ATOM 976 C ARG A 66 -10.589 4.428 5.276 1.00 0.00 C ATOM 977 O ARG A 66 -10.646 4.259 6.496 1.00 0.00 O ATOM 978 CB ARG A 66 -9.011 6.199 4.490 1.00 0.00 C ATOM 979 CG ARG A 66 -7.654 6.567 3.915 1.00 0.00 C ATOM 980 CD ARG A 66 -7.384 8.058 4.042 1.00 0.00 C ATOM 981 NE ARG A 66 -7.392 8.494 5.438 1.00 0.00 N ATOM 982 CZ ARG A 66 -7.074 9.720 5.848 1.00 0.00 C ATOM 983 NH1 ARG A 66 -6.775 10.664 4.963 1.00 0.00 N ATOM 984 NH2 ARG A 66 -7.064 9.998 7.147 1.00 0.00 N ATOM 0 H ARG A 66 -9.203 4.800 2.490 1.00 0.00 H new ATOM 0 HA ARG A 66 -8.463 4.226 5.161 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -9.790 6.650 3.875 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -9.102 6.631 5.487 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -6.874 6.009 4.433 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -7.611 6.276 2.865 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -6.419 8.292 3.594 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -8.138 8.613 3.483 1.00 0.00 H new ATOM 0 HE ARG A 66 -7.660 7.811 6.147 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -6.789 10.451 3.966 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -6.532 11.602 5.281 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -7.299 9.274 7.825 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -6.821 10.936 7.466 1.00 0.00 H new ATOM 998 N GLN A 67 -11.656 4.376 4.494 1.00 0.00 N ATOM 999 CA GLN A 67 -12.999 4.255 5.038 1.00 0.00 C ATOM 1000 C GLN A 67 -13.466 2.806 5.108 1.00 0.00 C ATOM 1001 O GLN A 67 -14.275 2.461 5.972 1.00 0.00 O ATOM 1002 CB GLN A 67 -13.981 5.081 4.214 1.00 0.00 C ATOM 1003 CG GLN A 67 -13.699 6.573 4.275 1.00 0.00 C ATOM 1004 CD GLN A 67 -14.599 7.381 3.369 1.00 0.00 C ATOM 1005 OE1 GLN A 67 -15.675 7.823 3.770 1.00 0.00 O ATOM 1006 NE2 GLN A 67 -14.158 7.584 2.141 1.00 0.00 N ATOM 0 H GLN A 67 -11.617 4.416 3.476 1.00 0.00 H new ATOM 0 HA GLN A 67 -12.968 4.638 6.058 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -13.942 4.752 3.176 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -14.994 4.893 4.571 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -13.821 6.919 5.302 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -12.660 6.752 4.000 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -13.259 7.198 1.852 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -14.716 8.127 1.482 1.00 0.00 H new ATOM 1015 N GLU A 68 -12.953 1.952 4.219 1.00 0.00 N ATOM 1016 CA GLU A 68 -13.399 0.556 4.162 1.00 0.00 C ATOM 1017 C GLU A 68 -13.081 -0.183 5.452 1.00 0.00 C ATOM 1018 O GLU A 68 -13.656 -1.235 5.725 1.00 0.00 O ATOM 1019 CB GLU A 68 -12.797 -0.185 2.972 1.00 0.00 C ATOM 1020 CG GLU A 68 -13.082 0.487 1.647 1.00 0.00 C ATOM 1021 CD GLU A 68 -13.104 -0.479 0.484 1.00 0.00 C ATOM 1022 OE1 GLU A 68 -12.585 -1.605 0.642 1.00 0.00 O ATOM 1023 OE2 GLU A 68 -13.613 -0.110 -0.593 1.00 0.00 O ATOM 0 H GLU A 68 -12.237 2.198 3.536 1.00 0.00 H new ATOM 0 HA GLU A 68 -14.481 0.580 4.034 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.718 -0.263 3.108 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -13.189 -1.202 2.949 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -14.043 0.998 1.705 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -12.326 1.250 1.463 1.00 0.00 H new ATOM 1030 N MET A 69 -12.181 0.389 6.246 1.00 0.00 N ATOM 1031 CA MET A 69 -11.888 -0.124 7.584 1.00 0.00 C ATOM 1032 C MET A 69 -13.171 -0.286 8.398 1.00 0.00 C ATOM 1033 O MET A 69 -13.321 -1.226 9.176 1.00 0.00 O ATOM 1034 CB MET A 69 -10.943 0.814 8.323 1.00 0.00 C ATOM 1035 CG MET A 69 -9.519 0.726 7.827 1.00 0.00 C ATOM 1036 SD MET A 69 -8.379 1.706 8.808 1.00 0.00 S ATOM 1037 CE MET A 69 -6.845 1.028 8.199 1.00 0.00 C ATOM 0 H MET A 69 -11.638 1.213 5.986 1.00 0.00 H new ATOM 0 HA MET A 69 -11.413 -1.098 7.467 1.00 0.00 H new ATOM 0 HB2 MET A 69 -11.298 1.839 8.214 1.00 0.00 H new ATOM 0 HB3 MET A 69 -10.967 0.581 9.387 1.00 0.00 H new ATOM 0 HG2 MET A 69 -9.199 -0.316 7.839 1.00 0.00 H new ATOM 0 HG3 MET A 69 -9.479 1.060 6.790 1.00 0.00 H new ATOM 0 HE1 MET A 69 -6.454 0.309 8.919 1.00 0.00 H new ATOM 0 HE2 MET A 69 -7.021 0.529 7.246 1.00 0.00 H new ATOM 0 HE3 MET A 69 -6.122 1.832 8.060 1.00 0.00 H new ATOM 1047 N ARG A 70 -14.085 0.654 8.207 1.00 0.00 N ATOM 1048 CA ARG A 70 -15.355 0.666 8.907 1.00 0.00 C ATOM 1049 C ARG A 70 -16.512 0.601 7.912 1.00 0.00 C ATOM 1050 O ARG A 70 -17.666 0.859 8.255 1.00 0.00 O ATOM 1051 CB ARG A 70 -15.431 1.935 9.754 1.00 0.00 C ATOM 1052 CG ARG A 70 -15.144 3.204 8.964 1.00 0.00 C ATOM 1053 CD ARG A 70 -14.890 4.397 9.871 1.00 0.00 C ATOM 1054 NE ARG A 70 -16.116 4.923 10.462 1.00 0.00 N ATOM 1055 CZ ARG A 70 -16.281 6.200 10.798 1.00 0.00 C ATOM 1056 NH1 ARG A 70 -15.281 7.063 10.658 1.00 0.00 N ATOM 1057 NH2 ARG A 70 -17.442 6.610 11.288 1.00 0.00 N ATOM 0 H ARG A 70 -13.963 1.432 7.559 1.00 0.00 H new ATOM 0 HA ARG A 70 -15.432 -0.207 9.556 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -16.424 2.008 10.198 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -14.719 1.858 10.576 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -14.276 3.044 8.325 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -15.987 3.421 8.308 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -14.204 4.105 10.666 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -14.399 5.185 9.300 1.00 0.00 H new ATOM 0 HE ARG A 70 -16.888 4.277 10.626 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -14.383 6.748 10.292 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -15.411 8.041 10.917 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -18.208 5.947 11.407 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -17.570 7.589 11.546 1.00 0.00 H new ATOM 1071 N ARG A 71 -16.189 0.243 6.676 1.00 0.00 N ATOM 1072 CA ARG A 71 -17.178 0.172 5.607 1.00 0.00 C ATOM 1073 C ARG A 71 -17.508 -1.274 5.291 1.00 0.00 C ATOM 1074 O ARG A 71 -18.670 -1.672 5.331 1.00 0.00 O ATOM 1075 CB ARG A 71 -16.653 0.889 4.354 1.00 0.00 C ATOM 1076 CG ARG A 71 -17.624 0.921 3.178 1.00 0.00 C ATOM 1077 CD ARG A 71 -17.366 -0.217 2.194 1.00 0.00 C ATOM 1078 NE ARG A 71 -18.146 -0.080 0.959 1.00 0.00 N ATOM 1079 CZ ARG A 71 -18.105 -0.956 -0.052 1.00 0.00 C ATOM 1080 NH1 ARG A 71 -17.402 -2.076 0.057 1.00 0.00 N ATOM 1081 NH2 ARG A 71 -18.800 -0.723 -1.161 1.00 0.00 N ATOM 0 H ARG A 71 -15.243 -0.005 6.387 1.00 0.00 H new ATOM 0 HA ARG A 71 -18.090 0.670 5.937 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -16.395 1.914 4.621 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -15.732 0.401 4.033 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -18.646 0.854 3.550 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -17.535 1.876 2.660 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -16.305 -0.247 1.948 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -17.609 -1.167 2.670 1.00 0.00 H new ATOM 0 HE ARG A 71 -18.756 0.732 0.865 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -16.888 -2.274 0.916 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -17.375 -2.739 -0.718 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -19.364 0.123 -1.241 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -18.769 -1.390 -1.932 1.00 0.00 H new ATOM 1095 N GLN A 72 -16.466 -2.046 5.003 1.00 0.00 N ATOM 1096 CA GLN A 72 -16.601 -3.441 4.588 1.00 0.00 C ATOM 1097 C GLN A 72 -17.465 -3.527 3.332 1.00 0.00 C ATOM 1098 O GLN A 72 -18.701 -3.688 3.454 1.00 0.00 O ATOM 1099 CB GLN A 72 -17.193 -4.302 5.713 1.00 0.00 C ATOM 1100 CG GLN A 72 -16.776 -5.771 5.663 1.00 0.00 C ATOM 1101 CD GLN A 72 -17.177 -6.487 4.383 1.00 0.00 C ATOM 1102 OE1 GLN A 72 -18.270 -7.048 4.285 1.00 0.00 O ATOM 1103 NE2 GLN A 72 -16.289 -6.483 3.399 1.00 0.00 N ATOM 1104 OXT GLN A 72 -16.904 -3.415 2.232 1.00 0.00 O ATOM 0 H GLN A 72 -15.500 -1.723 5.050 1.00 0.00 H new ATOM 0 HA GLN A 72 -15.608 -3.831 4.364 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -16.892 -3.883 6.673 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -18.280 -4.243 5.667 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -15.694 -5.835 5.778 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -17.218 -6.292 6.512 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -15.395 -6.007 3.521 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -16.499 -6.956 2.520 1.00 0.00 H new TER 1113 GLN A 72 ATOM 1114 N GLY B 73 -11.357 -16.682 1.656 1.00 0.00 N ATOM 1115 CA GLY B 73 -11.195 -15.280 2.109 1.00 0.00 C ATOM 1116 C GLY B 73 -10.323 -15.173 3.340 1.00 0.00 C ATOM 1117 O GLY B 73 -10.302 -16.082 4.174 1.00 0.00 O ATOM 0 HA2 GLY B 73 -10.758 -14.688 1.304 1.00 0.00 H new ATOM 0 HA3 GLY B 73 -12.175 -14.854 2.322 1.00 0.00 H new ATOM 1123 N HIS B 74 -9.592 -14.073 3.449 1.00 0.00 N ATOM 1124 CA HIS B 74 -8.782 -13.801 4.628 1.00 0.00 C ATOM 1125 C HIS B 74 -9.692 -13.297 5.735 1.00 0.00 C ATOM 1126 O HIS B 74 -10.634 -12.552 5.472 1.00 0.00 O ATOM 1127 CB HIS B 74 -7.695 -12.755 4.327 1.00 0.00 C ATOM 1128 CG HIS B 74 -6.812 -13.106 3.167 1.00 0.00 C ATOM 1129 ND1 HIS B 74 -6.137 -14.300 3.069 1.00 0.00 N ATOM 1130 CD2 HIS B 74 -6.518 -12.418 2.036 1.00 0.00 C ATOM 1131 CE1 HIS B 74 -5.470 -14.337 1.934 1.00 0.00 C ATOM 1132 NE2 HIS B 74 -5.683 -13.209 1.281 1.00 0.00 N ATOM 0 H HIS B 74 -9.543 -13.350 2.731 1.00 0.00 H new ATOM 0 HA HIS B 74 -8.282 -14.719 4.936 1.00 0.00 H new ATOM 0 HB2 HIS B 74 -8.174 -11.796 4.128 1.00 0.00 H new ATOM 0 HB3 HIS B 74 -7.076 -12.624 5.215 1.00 0.00 H new ATOM 0 HD2 HIS B 74 -6.873 -11.432 1.776 1.00 0.00 H new ATOM 0 HE1 HIS B 74 -4.851 -15.154 1.594 1.00 0.00 H new ATOM 0 HE2 HIS B 74 -5.294 -12.965 0.370 1.00 0.00 H new ATOM 1141 N MET B 75 -9.426 -13.692 6.965 1.00 0.00 N ATOM 1142 CA MET B 75 -10.321 -13.353 8.061 1.00 0.00 C ATOM 1143 C MET B 75 -10.021 -11.969 8.615 1.00 0.00 C ATOM 1144 O MET B 75 -9.613 -11.813 9.766 1.00 0.00 O ATOM 1145 CB MET B 75 -10.256 -14.402 9.170 1.00 0.00 C ATOM 1146 CG MET B 75 -10.664 -15.789 8.706 1.00 0.00 C ATOM 1147 SD MET B 75 -12.172 -15.783 7.707 1.00 0.00 S ATOM 1148 CE MET B 75 -13.340 -15.013 8.825 1.00 0.00 C ATOM 0 H MET B 75 -8.609 -14.241 7.232 1.00 0.00 H new ATOM 0 HA MET B 75 -11.335 -13.342 7.661 1.00 0.00 H new ATOM 0 HB2 MET B 75 -9.241 -14.442 9.564 1.00 0.00 H new ATOM 0 HB3 MET B 75 -10.905 -14.095 9.990 1.00 0.00 H new ATOM 0 HG2 MET B 75 -9.852 -16.226 8.125 1.00 0.00 H new ATOM 0 HG3 MET B 75 -10.813 -16.428 9.576 1.00 0.00 H new ATOM 0 HE1 MET B 75 -14.325 -15.458 8.685 1.00 0.00 H new ATOM 0 HE2 MET B 75 -13.015 -15.168 9.854 1.00 0.00 H new ATOM 0 HE3 MET B 75 -13.391 -13.944 8.618 1.00 0.00 H new ATOM 1158 N LEU B 76 -10.225 -10.966 7.776 1.00 0.00 N ATOM 1159 CA LEU B 76 -10.081 -9.579 8.179 1.00 0.00 C ATOM 1160 C LEU B 76 -11.389 -8.847 7.945 1.00 0.00 C ATOM 1161 O LEU B 76 -12.051 -9.061 6.933 1.00 0.00 O ATOM 1162 CB LEU B 76 -8.938 -8.907 7.414 1.00 0.00 C ATOM 1163 CG LEU B 76 -7.541 -9.383 7.810 1.00 0.00 C ATOM 1164 CD1 LEU B 76 -6.480 -8.634 7.028 1.00 0.00 C ATOM 1165 CD2 LEU B 76 -7.319 -9.204 9.306 1.00 0.00 C ATOM 0 H LEU B 76 -10.494 -11.091 6.800 1.00 0.00 H new ATOM 0 HA LEU B 76 -9.836 -9.540 9.240 1.00 0.00 H new ATOM 0 HB2 LEU B 76 -9.079 -9.083 6.348 1.00 0.00 H new ATOM 0 HB3 LEU B 76 -8.998 -7.830 7.570 1.00 0.00 H new ATOM 0 HG LEU B 76 -7.462 -10.444 7.572 1.00 0.00 H new ATOM 0 HD11 LEU B 76 -5.492 -8.987 7.324 1.00 0.00 H new ATOM 0 HD12 LEU B 76 -6.623 -8.808 5.962 1.00 0.00 H new ATOM 0 HD13 LEU B 76 -6.561 -7.567 7.235 1.00 0.00 H new ATOM 0 HD21 LEU B 76 -6.319 -9.548 9.569 1.00 0.00 H new ATOM 0 HD22 LEU B 76 -7.420 -8.150 9.565 1.00 0.00 H new ATOM 0 HD23 LEU B 76 -8.059 -9.785 9.856 1.00 0.00 H new ATOM 1177 N PRO B 77 -11.781 -7.978 8.876 1.00 0.00 N ATOM 1178 CA PRO B 77 -13.072 -7.310 8.841 1.00 0.00 C ATOM 1179 C PRO B 77 -13.044 -5.974 8.106 1.00 0.00 C ATOM 1180 O PRO B 77 -13.924 -5.136 8.299 1.00 0.00 O ATOM 1181 CB PRO B 77 -13.362 -7.104 10.322 1.00 0.00 C ATOM 1182 CG PRO B 77 -12.020 -6.912 10.953 1.00 0.00 C ATOM 1183 CD PRO B 77 -10.999 -7.570 10.053 1.00 0.00 C ATOM 0 HA PRO B 77 -13.822 -7.888 8.302 1.00 0.00 H new ATOM 0 HB2 PRO B 77 -14.002 -6.236 10.482 1.00 0.00 H new ATOM 0 HB3 PRO B 77 -13.879 -7.964 10.747 1.00 0.00 H new ATOM 0 HG2 PRO B 77 -11.800 -5.851 11.072 1.00 0.00 H new ATOM 0 HG3 PRO B 77 -11.997 -7.356 11.948 1.00 0.00 H new ATOM 0 HD2 PRO B 77 -10.200 -6.880 9.783 1.00 0.00 H new ATOM 0 HD3 PRO B 77 -10.530 -8.426 10.538 1.00 0.00 H new ATOM 1191 N ASP B 78 -12.039 -5.777 7.263 1.00 0.00 N ATOM 1192 CA ASP B 78 -11.902 -4.528 6.536 1.00 0.00 C ATOM 1193 C ASP B 78 -11.117 -4.724 5.243 1.00 0.00 C ATOM 1194 O ASP B 78 -10.852 -5.855 4.834 1.00 0.00 O ATOM 1195 CB ASP B 78 -11.241 -3.453 7.412 1.00 0.00 C ATOM 1196 CG ASP B 78 -9.802 -3.764 7.771 1.00 0.00 C ATOM 1197 OD1 ASP B 78 -8.899 -3.428 6.978 1.00 0.00 O ATOM 1198 OD2 ASP B 78 -9.575 -4.372 8.834 1.00 0.00 O ATOM 0 H ASP B 78 -11.311 -6.464 7.068 1.00 0.00 H new ATOM 0 HA ASP B 78 -12.904 -4.188 6.273 1.00 0.00 H new ATOM 0 HB2 ASP B 78 -11.278 -2.497 6.890 1.00 0.00 H new ATOM 0 HB3 ASP B 78 -11.819 -3.338 8.329 1.00 0.00 H new ATOM 1203 N VAL B 79 -10.734 -3.618 4.626 1.00 0.00 N ATOM 1204 CA VAL B 79 -10.080 -3.619 3.317 1.00 0.00 C ATOM 1205 C VAL B 79 -8.686 -4.277 3.345 1.00 0.00 C ATOM 1206 O VAL B 79 -8.149 -4.658 2.305 1.00 0.00 O ATOM 1207 CB VAL B 79 -10.001 -2.169 2.762 1.00 0.00 C ATOM 1208 CG1 VAL B 79 -9.404 -1.221 3.782 1.00 0.00 C ATOM 1209 CG2 VAL B 79 -9.212 -2.092 1.469 1.00 0.00 C ATOM 0 H VAL B 79 -10.867 -2.686 5.018 1.00 0.00 H new ATOM 0 HA VAL B 79 -10.690 -4.227 2.650 1.00 0.00 H new ATOM 0 HB VAL B 79 -11.026 -1.865 2.551 1.00 0.00 H new ATOM 0 HG11 VAL B 79 -9.362 -0.215 3.364 1.00 0.00 H new ATOM 0 HG12 VAL B 79 -10.023 -1.215 4.679 1.00 0.00 H new ATOM 0 HG13 VAL B 79 -8.397 -1.549 4.038 1.00 0.00 H new ATOM 0 HG21 VAL B 79 -9.185 -1.060 1.120 1.00 0.00 H new ATOM 0 HG22 VAL B 79 -8.195 -2.444 1.642 1.00 0.00 H new ATOM 0 HG23 VAL B 79 -9.689 -2.717 0.714 1.00 0.00 H new ATOM 1219 N ALA B 80 -8.118 -4.447 4.532 1.00 0.00 N ATOM 1220 CA ALA B 80 -6.800 -5.068 4.677 1.00 0.00 C ATOM 1221 C ALA B 80 -6.702 -6.416 3.955 1.00 0.00 C ATOM 1222 O ALA B 80 -5.719 -6.692 3.257 1.00 0.00 O ATOM 1223 CB ALA B 80 -6.485 -5.254 6.141 1.00 0.00 C ATOM 0 H ALA B 80 -8.548 -4.164 5.413 1.00 0.00 H new ATOM 0 HA ALA B 80 -6.075 -4.399 4.215 1.00 0.00 H new ATOM 0 HB1 ALA B 80 -5.504 -5.716 6.246 1.00 0.00 H new ATOM 0 HB2 ALA B 80 -6.485 -4.284 6.639 1.00 0.00 H new ATOM 0 HB3 ALA B 80 -7.239 -5.896 6.597 1.00 0.00 H new ATOM 1229 N GLN B 81 -7.724 -7.250 4.119 1.00 0.00 N ATOM 1230 CA GLN B 81 -7.743 -8.578 3.507 1.00 0.00 C ATOM 1231 C GLN B 81 -7.706 -8.466 1.993 1.00 0.00 C ATOM 1232 O GLN B 81 -7.139 -9.314 1.299 1.00 0.00 O ATOM 1233 CB GLN B 81 -9.013 -9.336 3.917 1.00 0.00 C ATOM 1234 CG GLN B 81 -10.295 -8.619 3.504 1.00 0.00 C ATOM 1235 CD GLN B 81 -11.543 -9.467 3.655 1.00 0.00 C ATOM 1236 OE1 GLN B 81 -11.399 -10.767 3.497 1.00 0.00 O flip ATOM 1237 NE2 GLN B 81 -12.634 -8.954 3.899 1.00 0.00 N flip ATOM 0 H GLN B 81 -8.553 -7.031 4.672 1.00 0.00 H new ATOM 0 HA GLN B 81 -6.864 -9.121 3.853 1.00 0.00 H new ATOM 0 HB2 GLN B 81 -8.998 -10.329 3.468 1.00 0.00 H new ATOM 0 HB3 GLN B 81 -9.013 -9.475 4.998 1.00 0.00 H new ATOM 0 HG2 GLN B 81 -10.405 -7.716 4.104 1.00 0.00 H new ATOM 0 HG3 GLN B 81 -10.205 -8.302 2.465 1.00 0.00 H new ATOM 0 HE21 GLN B 81 -12.708 -7.943 4.015 1.00 0.00 H new ATOM 0 HE22 GLN B 81 -13.465 -9.539 3.985 1.00 0.00 H new ATOM 1246 N ARG B 82 -8.287 -7.387 1.503 1.00 0.00 N ATOM 1247 CA ARG B 82 -8.456 -7.169 0.091 1.00 0.00 C ATOM 1248 C ARG B 82 -7.118 -6.872 -0.573 1.00 0.00 C ATOM 1249 O ARG B 82 -6.961 -7.016 -1.786 1.00 0.00 O ATOM 1250 CB ARG B 82 -9.408 -6.014 -0.076 1.00 0.00 C ATOM 1251 CG ARG B 82 -10.484 -6.274 -1.092 1.00 0.00 C ATOM 1252 CD ARG B 82 -10.025 -5.960 -2.503 1.00 0.00 C ATOM 1253 NE ARG B 82 -11.104 -6.102 -3.476 1.00 0.00 N ATOM 1254 CZ ARG B 82 -11.002 -5.747 -4.755 1.00 0.00 C ATOM 1255 NH1 ARG B 82 -9.848 -5.295 -5.233 1.00 0.00 N ATOM 1256 NH2 ARG B 82 -12.049 -5.855 -5.559 1.00 0.00 N ATOM 0 H ARG B 82 -8.656 -6.635 2.085 1.00 0.00 H new ATOM 0 HA ARG B 82 -8.857 -8.062 -0.388 1.00 0.00 H new ATOM 0 HB2 ARG B 82 -9.871 -5.792 0.885 1.00 0.00 H new ATOM 0 HB3 ARG B 82 -8.846 -5.128 -0.371 1.00 0.00 H new ATOM 0 HG2 ARG B 82 -10.791 -7.318 -1.035 1.00 0.00 H new ATOM 0 HG3 ARG B 82 -11.360 -5.671 -0.854 1.00 0.00 H new ATOM 0 HD2 ARG B 82 -9.636 -4.942 -2.539 1.00 0.00 H new ATOM 0 HD3 ARG B 82 -9.204 -6.624 -2.773 1.00 0.00 H new ATOM 0 HE ARG B 82 -11.989 -6.497 -3.157 1.00 0.00 H new ATOM 0 HH11 ARG B 82 -9.037 -5.219 -4.620 1.00 0.00 H new ATOM 0 HH12 ARG B 82 -9.773 -5.024 -6.213 1.00 0.00 H new ATOM 0 HH21 ARG B 82 -12.934 -6.210 -5.198 1.00 0.00 H new ATOM 0 HH22 ARG B 82 -11.970 -5.583 -6.539 1.00 0.00 H new ATOM 1270 N LEU B 83 -6.147 -6.479 0.241 1.00 0.00 N ATOM 1271 CA LEU B 83 -4.841 -6.100 -0.266 1.00 0.00 C ATOM 1272 C LEU B 83 -3.976 -7.334 -0.421 1.00 0.00 C ATOM 1273 O LEU B 83 -3.202 -7.444 -1.370 1.00 0.00 O ATOM 1274 CB LEU B 83 -4.157 -5.103 0.672 1.00 0.00 C ATOM 1275 CG LEU B 83 -3.526 -3.886 -0.007 1.00 0.00 C ATOM 1276 CD1 LEU B 83 -2.878 -2.970 1.013 1.00 0.00 C ATOM 1277 CD2 LEU B 83 -2.518 -4.303 -1.069 1.00 0.00 C ATOM 0 H LEU B 83 -6.242 -6.415 1.255 1.00 0.00 H new ATOM 0 HA LEU B 83 -4.974 -5.621 -1.236 1.00 0.00 H new ATOM 0 HB2 LEU B 83 -4.890 -4.752 1.398 1.00 0.00 H new ATOM 0 HB3 LEU B 83 -3.382 -5.629 1.230 1.00 0.00 H new ATOM 0 HG LEU B 83 -4.326 -3.336 -0.502 1.00 0.00 H new ATOM 0 HD11 LEU B 83 -2.437 -2.113 0.504 1.00 0.00 H new ATOM 0 HD12 LEU B 83 -3.631 -2.624 1.721 1.00 0.00 H new ATOM 0 HD13 LEU B 83 -2.100 -3.514 1.548 1.00 0.00 H new ATOM 0 HD21 LEU B 83 -2.088 -3.414 -1.532 1.00 0.00 H new ATOM 0 HD22 LEU B 83 -1.725 -4.891 -0.607 1.00 0.00 H new ATOM 0 HD23 LEU B 83 -3.018 -4.903 -1.830 1.00 0.00 H new ATOM 1289 N MET B 84 -4.129 -8.272 0.512 1.00 0.00 N ATOM 1290 CA MET B 84 -3.379 -9.519 0.456 1.00 0.00 C ATOM 1291 C MET B 84 -3.631 -10.213 -0.874 1.00 0.00 C ATOM 1292 O MET B 84 -2.711 -10.719 -1.513 1.00 0.00 O ATOM 1293 CB MET B 84 -3.781 -10.440 1.606 1.00 0.00 C ATOM 1294 CG MET B 84 -3.536 -9.851 2.980 1.00 0.00 C ATOM 1295 SD MET B 84 -4.082 -10.948 4.301 1.00 0.00 S ATOM 1296 CE MET B 84 -3.584 -10.005 5.739 1.00 0.00 C ATOM 0 H MET B 84 -4.761 -8.191 1.309 1.00 0.00 H new ATOM 0 HA MET B 84 -2.317 -9.291 0.549 1.00 0.00 H new ATOM 0 HB2 MET B 84 -4.839 -10.684 1.510 1.00 0.00 H new ATOM 0 HB3 MET B 84 -3.229 -11.376 1.519 1.00 0.00 H new ATOM 0 HG2 MET B 84 -2.473 -9.643 3.099 1.00 0.00 H new ATOM 0 HG3 MET B 84 -4.058 -8.898 3.063 1.00 0.00 H new ATOM 0 HE1 MET B 84 -3.916 -10.517 6.642 1.00 0.00 H new ATOM 0 HE2 MET B 84 -2.498 -9.910 5.754 1.00 0.00 H new ATOM 0 HE3 MET B 84 -4.034 -9.013 5.698 1.00 0.00 H new ATOM 1306 N GLN B 85 -4.891 -10.196 -1.289 1.00 0.00 N ATOM 1307 CA GLN B 85 -5.300 -10.778 -2.560 1.00 0.00 C ATOM 1308 C GLN B 85 -4.635 -10.066 -3.726 1.00 0.00 C ATOM 1309 O GLN B 85 -4.019 -10.698 -4.579 1.00 0.00 O ATOM 1310 CB GLN B 85 -6.818 -10.681 -2.717 1.00 0.00 C ATOM 1311 CG GLN B 85 -7.587 -11.507 -1.708 1.00 0.00 C ATOM 1312 CD GLN B 85 -7.369 -12.990 -1.905 1.00 0.00 C ATOM 1313 OE1 GLN B 85 -6.449 -13.573 -1.336 1.00 0.00 O ATOM 1314 NE2 GLN B 85 -8.211 -13.606 -2.717 1.00 0.00 N ATOM 0 H GLN B 85 -5.655 -9.780 -0.756 1.00 0.00 H new ATOM 0 HA GLN B 85 -4.992 -11.824 -2.563 1.00 0.00 H new ATOM 0 HB2 GLN B 85 -7.118 -9.637 -2.624 1.00 0.00 H new ATOM 0 HB3 GLN B 85 -7.092 -11.003 -3.722 1.00 0.00 H new ATOM 0 HG2 GLN B 85 -7.280 -11.226 -0.701 1.00 0.00 H new ATOM 0 HG3 GLN B 85 -8.650 -11.283 -1.791 1.00 0.00 H new ATOM 0 HE21 GLN B 85 -8.961 -13.081 -3.168 1.00 0.00 H new ATOM 0 HE22 GLN B 85 -8.111 -14.606 -2.892 1.00 0.00 H new ATOM 1323 N HIS B 86 -4.743 -8.744 -3.728 1.00 0.00 N ATOM 1324 CA HIS B 86 -4.311 -7.934 -4.863 1.00 0.00 C ATOM 1325 C HIS B 86 -2.811 -8.068 -5.114 1.00 0.00 C ATOM 1326 O HIS B 86 -2.337 -7.869 -6.232 1.00 0.00 O ATOM 1327 CB HIS B 86 -4.679 -6.472 -4.622 1.00 0.00 C ATOM 1328 CG HIS B 86 -4.655 -5.638 -5.864 1.00 0.00 C ATOM 1329 ND1 HIS B 86 -5.634 -5.715 -6.828 1.00 0.00 N ATOM 1330 CD2 HIS B 86 -3.778 -4.701 -6.293 1.00 0.00 C ATOM 1331 CE1 HIS B 86 -5.365 -4.864 -7.796 1.00 0.00 C ATOM 1332 NE2 HIS B 86 -4.245 -4.237 -7.497 1.00 0.00 N ATOM 0 H HIS B 86 -5.128 -8.206 -2.952 1.00 0.00 H new ATOM 0 HA HIS B 86 -4.825 -8.297 -5.753 1.00 0.00 H new ATOM 0 HB2 HIS B 86 -5.675 -6.424 -4.181 1.00 0.00 H new ATOM 0 HB3 HIS B 86 -3.987 -6.047 -3.895 1.00 0.00 H new ATOM 0 HD2 HIS B 86 -2.881 -4.380 -5.784 1.00 0.00 H new ATOM 0 HE1 HIS B 86 -5.960 -4.707 -8.683 1.00 0.00 H new ATOM 0 HE2 HIS B 86 -3.797 -3.521 -8.069 1.00 0.00 H new ATOM 1341 N LEU B 87 -2.066 -8.388 -4.070 1.00 0.00 N ATOM 1342 CA LEU B 87 -0.638 -8.600 -4.199 1.00 0.00 C ATOM 1343 C LEU B 87 -0.341 -10.051 -4.573 1.00 0.00 C ATOM 1344 O LEU B 87 0.383 -10.323 -5.536 1.00 0.00 O ATOM 1345 CB LEU B 87 0.061 -8.233 -2.889 1.00 0.00 C ATOM 1346 CG LEU B 87 -0.131 -6.785 -2.443 1.00 0.00 C ATOM 1347 CD1 LEU B 87 0.481 -6.570 -1.069 1.00 0.00 C ATOM 1348 CD2 LEU B 87 0.475 -5.831 -3.462 1.00 0.00 C ATOM 0 H LEU B 87 -2.428 -8.506 -3.124 1.00 0.00 H new ATOM 0 HA LEU B 87 -0.259 -7.959 -4.995 1.00 0.00 H new ATOM 0 HB2 LEU B 87 -0.305 -8.892 -2.102 1.00 0.00 H new ATOM 0 HB3 LEU B 87 1.128 -8.427 -2.997 1.00 0.00 H new ATOM 0 HG LEU B 87 -1.199 -6.578 -2.377 1.00 0.00 H new ATOM 0 HD11 LEU B 87 0.336 -5.533 -0.764 1.00 0.00 H new ATOM 0 HD12 LEU B 87 -0.001 -7.231 -0.348 1.00 0.00 H new ATOM 0 HD13 LEU B 87 1.548 -6.792 -1.107 1.00 0.00 H new ATOM 0 HD21 LEU B 87 0.330 -4.803 -3.129 1.00 0.00 H new ATOM 0 HD22 LEU B 87 1.542 -6.033 -3.560 1.00 0.00 H new ATOM 0 HD23 LEU B 87 -0.012 -5.972 -4.427 1.00 0.00 H new ATOM 1360 N ALA B 88 -0.936 -10.972 -3.823 1.00 0.00 N ATOM 1361 CA ALA B 88 -0.693 -12.404 -3.999 1.00 0.00 C ATOM 1362 C ALA B 88 -1.073 -12.891 -5.395 1.00 0.00 C ATOM 1363 O ALA B 88 -0.446 -13.807 -5.931 1.00 0.00 O ATOM 1364 CB ALA B 88 -1.460 -13.196 -2.949 1.00 0.00 C ATOM 0 H ALA B 88 -1.598 -10.751 -3.079 1.00 0.00 H new ATOM 0 HA ALA B 88 0.378 -12.567 -3.877 1.00 0.00 H new ATOM 0 HB1 ALA B 88 -1.273 -14.261 -3.088 1.00 0.00 H new ATOM 0 HB2 ALA B 88 -1.130 -12.896 -1.954 1.00 0.00 H new ATOM 0 HB3 ALA B 88 -2.527 -12.999 -3.052 1.00 0.00 H new ATOM 1370 N GLU B 89 -2.086 -12.270 -5.983 1.00 0.00 N ATOM 1371 CA GLU B 89 -2.621 -12.713 -7.266 1.00 0.00 C ATOM 1372 C GLU B 89 -1.665 -12.429 -8.428 1.00 0.00 C ATOM 1373 O GLU B 89 -1.774 -13.051 -9.483 1.00 0.00 O ATOM 1374 CB GLU B 89 -3.967 -12.043 -7.549 1.00 0.00 C ATOM 1375 CG GLU B 89 -3.873 -10.534 -7.711 1.00 0.00 C ATOM 1376 CD GLU B 89 -5.151 -9.915 -8.229 1.00 0.00 C ATOM 1377 OE1 GLU B 89 -5.393 -9.992 -9.455 1.00 0.00 O ATOM 1378 OE2 GLU B 89 -5.904 -9.331 -7.427 1.00 0.00 O ATOM 0 H GLU B 89 -2.557 -11.454 -5.591 1.00 0.00 H new ATOM 0 HA GLU B 89 -2.751 -13.793 -7.191 1.00 0.00 H new ATOM 0 HB2 GLU B 89 -4.393 -12.472 -8.456 1.00 0.00 H new ATOM 0 HB3 GLU B 89 -4.655 -12.271 -6.735 1.00 0.00 H new ATOM 0 HG2 GLU B 89 -3.622 -10.086 -6.750 1.00 0.00 H new ATOM 0 HG3 GLU B 89 -3.058 -10.298 -8.395 1.00 0.00 H new ATOM 1385 N HIS B 90 -0.731 -11.500 -8.244 1.00 0.00 N ATOM 1386 CA HIS B 90 0.118 -11.063 -9.352 1.00 0.00 C ATOM 1387 C HIS B 90 1.508 -11.688 -9.299 1.00 0.00 C ATOM 1388 O HIS B 90 1.908 -12.409 -10.215 1.00 0.00 O ATOM 1389 CB HIS B 90 0.242 -9.534 -9.385 1.00 0.00 C ATOM 1390 CG HIS B 90 -0.963 -8.828 -9.933 1.00 0.00 C ATOM 1391 ND1 HIS B 90 -1.931 -8.112 -9.314 1.00 0.00 N flip ATOM 1392 CD2 HIS B 90 -1.278 -8.808 -11.273 1.00 0.00 C flip ATOM 1393 CE1 HIS B 90 -2.803 -7.681 -10.282 1.00 0.00 C flip ATOM 1394 NE2 HIS B 90 -2.386 -8.114 -11.453 1.00 0.00 N flip ATOM 0 H HIS B 90 -0.543 -11.040 -7.353 1.00 0.00 H new ATOM 0 HA HIS B 90 -0.370 -11.404 -10.265 1.00 0.00 H new ATOM 0 HB2 HIS B 90 0.430 -9.175 -8.373 1.00 0.00 H new ATOM 0 HB3 HIS B 90 1.111 -9.265 -9.986 1.00 0.00 H new ATOM 0 HD1 HIS B 90 -1.999 -7.927 -8.313 1.00 0.00 H new ATOM 0 HD2 HIS B 90 -0.707 -9.286 -12.055 1.00 0.00 H new ATOM 0 HE1 HIS B 90 -3.687 -7.084 -10.111 1.00 0.00 H new ATOM 1403 N GLY B 91 2.235 -11.413 -8.229 1.00 0.00 N ATOM 1404 CA GLY B 91 3.617 -11.850 -8.129 1.00 0.00 C ATOM 1405 C GLY B 91 4.461 -10.807 -7.434 1.00 0.00 C ATOM 1406 O GLY B 91 5.372 -10.228 -8.023 1.00 0.00 O ATOM 0 H GLY B 91 1.893 -10.892 -7.421 1.00 0.00 H new ATOM 0 HA2 GLY B 91 3.667 -12.790 -7.579 1.00 0.00 H new ATOM 0 HA3 GLY B 91 4.015 -12.042 -9.125 1.00 0.00 H new ATOM 1410 N ILE B 92 4.145 -10.573 -6.175 1.00 0.00 N ATOM 1411 CA ILE B 92 4.719 -9.471 -5.420 1.00 0.00 C ATOM 1412 C ILE B 92 5.998 -9.864 -4.684 1.00 0.00 C ATOM 1413 O ILE B 92 6.169 -11.013 -4.276 1.00 0.00 O ATOM 1414 CB ILE B 92 3.660 -8.922 -4.432 1.00 0.00 C ATOM 1415 CG1 ILE B 92 2.665 -8.052 -5.195 1.00 0.00 C ATOM 1416 CG2 ILE B 92 4.280 -8.152 -3.276 1.00 0.00 C ATOM 1417 CD1 ILE B 92 3.326 -7.041 -6.101 1.00 0.00 C ATOM 0 H ILE B 92 3.483 -11.140 -5.645 1.00 0.00 H new ATOM 0 HA ILE B 92 5.003 -8.692 -6.128 1.00 0.00 H new ATOM 0 HB ILE B 92 3.143 -9.772 -3.987 1.00 0.00 H new ATOM 0 HG12 ILE B 92 2.015 -8.693 -5.791 1.00 0.00 H new ATOM 0 HG13 ILE B 92 2.029 -7.528 -4.481 1.00 0.00 H new ATOM 0 HG21 ILE B 92 3.492 -7.790 -2.615 1.00 0.00 H new ATOM 0 HG22 ILE B 92 4.948 -8.808 -2.718 1.00 0.00 H new ATOM 0 HG23 ILE B 92 4.845 -7.305 -3.665 1.00 0.00 H new ATOM 0 HD11 ILE B 92 2.562 -6.456 -6.613 1.00 0.00 H new ATOM 0 HD12 ILE B 92 3.954 -6.377 -5.508 1.00 0.00 H new ATOM 0 HD13 ILE B 92 3.940 -7.559 -6.838 1.00 0.00 H new ATOM 1429 N GLN B 93 6.902 -8.893 -4.545 1.00 0.00 N ATOM 1430 CA GLN B 93 8.121 -9.065 -3.767 1.00 0.00 C ATOM 1431 C GLN B 93 7.886 -8.591 -2.336 1.00 0.00 C ATOM 1432 O GLN B 93 7.837 -7.389 -2.067 1.00 0.00 O ATOM 1433 CB GLN B 93 9.272 -8.271 -4.396 1.00 0.00 C ATOM 1434 CG GLN B 93 10.469 -9.127 -4.786 1.00 0.00 C ATOM 1435 CD GLN B 93 10.164 -10.099 -5.911 1.00 0.00 C ATOM 1436 OE1 GLN B 93 9.309 -9.697 -6.838 1.00 0.00 O flip ATOM 1437 NE2 GLN B 93 10.726 -11.193 -5.963 1.00 0.00 N flip ATOM 0 H GLN B 93 6.807 -7.970 -4.968 1.00 0.00 H new ATOM 0 HA GLN B 93 8.389 -10.121 -3.760 1.00 0.00 H new ATOM 0 HB2 GLN B 93 8.903 -7.754 -5.282 1.00 0.00 H new ATOM 0 HB3 GLN B 93 9.599 -7.505 -3.693 1.00 0.00 H new ATOM 0 HG2 GLN B 93 11.290 -8.477 -5.088 1.00 0.00 H new ATOM 0 HG3 GLN B 93 10.809 -9.685 -3.914 1.00 0.00 H new ATOM 0 HE21 GLN B 93 11.379 -11.466 -5.229 1.00 0.00 H new ATOM 0 HE22 GLN B 93 10.539 -11.826 -6.741 1.00 0.00 H new ATOM 1446 N PRO B 94 7.702 -9.536 -1.408 1.00 0.00 N ATOM 1447 CA PRO B 94 7.437 -9.234 -0.002 1.00 0.00 C ATOM 1448 C PRO B 94 8.675 -8.730 0.733 1.00 0.00 C ATOM 1449 O PRO B 94 9.799 -8.905 0.274 1.00 0.00 O ATOM 1450 CB PRO B 94 6.995 -10.581 0.589 1.00 0.00 C ATOM 1451 CG PRO B 94 6.841 -11.511 -0.569 1.00 0.00 C ATOM 1452 CD PRO B 94 7.725 -10.977 -1.655 1.00 0.00 C ATOM 0 HA PRO B 94 6.695 -8.442 0.098 1.00 0.00 H new ATOM 0 HB2 PRO B 94 7.734 -10.958 1.296 1.00 0.00 H new ATOM 0 HB3 PRO B 94 6.057 -10.478 1.134 1.00 0.00 H new ATOM 0 HG2 PRO B 94 7.131 -12.525 -0.295 1.00 0.00 H new ATOM 0 HG3 PRO B 94 5.803 -11.554 -0.898 1.00 0.00 H new ATOM 0 HD2 PRO B 94 8.735 -11.383 -1.592 1.00 0.00 H new ATOM 0 HD3 PRO B 94 7.344 -11.224 -2.646 1.00 0.00 H new ATOM 1460 N ALA B 95 8.453 -8.147 1.909 1.00 0.00 N ATOM 1461 CA ALA B 95 9.529 -7.575 2.720 1.00 0.00 C ATOM 1462 C ALA B 95 10.367 -8.661 3.382 1.00 0.00 C ATOM 1463 O ALA B 95 11.209 -8.379 4.235 1.00 0.00 O ATOM 1464 CB ALA B 95 8.947 -6.650 3.780 1.00 0.00 C ATOM 0 H ALA B 95 7.527 -8.057 2.327 1.00 0.00 H new ATOM 0 HA ALA B 95 10.180 -7.005 2.057 1.00 0.00 H new ATOM 0 HB1 ALA B 95 9.755 -6.229 4.379 1.00 0.00 H new ATOM 0 HB2 ALA B 95 8.396 -5.844 3.296 1.00 0.00 H new ATOM 0 HB3 ALA B 95 8.273 -7.214 4.425 1.00 0.00 H new ATOM 1470 N ARG B 96 10.123 -9.901 2.993 1.00 0.00 N ATOM 1471 CA ARG B 96 10.849 -11.038 3.535 1.00 0.00 C ATOM 1472 C ARG B 96 11.470 -11.853 2.407 1.00 0.00 C ATOM 1473 O ARG B 96 10.877 -12.825 1.936 1.00 0.00 O ATOM 1474 CB ARG B 96 9.921 -11.920 4.377 1.00 0.00 C ATOM 1475 CG ARG B 96 9.343 -11.208 5.588 1.00 0.00 C ATOM 1476 CD ARG B 96 10.430 -10.768 6.558 1.00 0.00 C ATOM 1477 NE ARG B 96 11.133 -11.900 7.164 1.00 0.00 N ATOM 1478 CZ ARG B 96 11.591 -11.904 8.417 1.00 0.00 C ATOM 1479 NH1 ARG B 96 11.435 -10.837 9.192 1.00 0.00 N ATOM 1480 NH2 ARG B 96 12.219 -12.970 8.895 1.00 0.00 N ATOM 0 H ARG B 96 9.420 -10.148 2.296 1.00 0.00 H new ATOM 0 HA ARG B 96 11.645 -10.663 4.178 1.00 0.00 H new ATOM 0 HB2 ARG B 96 9.103 -12.276 3.750 1.00 0.00 H new ATOM 0 HB3 ARG B 96 10.472 -12.799 4.711 1.00 0.00 H new ATOM 0 HG2 ARG B 96 8.774 -10.338 5.261 1.00 0.00 H new ATOM 0 HG3 ARG B 96 8.645 -11.870 6.100 1.00 0.00 H new ATOM 0 HD2 ARG B 96 11.148 -10.138 6.033 1.00 0.00 H new ATOM 0 HD3 ARG B 96 9.985 -10.158 7.344 1.00 0.00 H new ATOM 0 HE ARG B 96 11.281 -12.734 6.595 1.00 0.00 H new ATOM 0 HH11 ARG B 96 10.963 -10.008 8.830 1.00 0.00 H new ATOM 0 HH12 ARG B 96 11.787 -10.846 10.149 1.00 0.00 H new ATOM 0 HH21 ARG B 96 12.353 -13.790 8.304 1.00 0.00 H new ATOM 0 HH22 ARG B 96 12.568 -12.969 9.854 1.00 0.00 H new ATOM 1494 N ASN B 97 12.650 -11.433 1.966 1.00 0.00 N ATOM 1495 CA ASN B 97 13.388 -12.133 0.915 1.00 0.00 C ATOM 1496 C ASN B 97 14.769 -11.503 0.762 1.00 0.00 C ATOM 1497 O ASN B 97 15.761 -12.194 0.543 1.00 0.00 O ATOM 1498 CB ASN B 97 12.622 -12.121 -0.426 1.00 0.00 C ATOM 1499 CG ASN B 97 12.813 -10.854 -1.248 1.00 0.00 C ATOM 1500 OD1 ASN B 97 13.681 -10.789 -2.115 1.00 0.00 O ATOM 1501 ND2 ASN B 97 11.999 -9.842 -0.993 1.00 0.00 N ATOM 0 H ASN B 97 13.122 -10.602 2.323 1.00 0.00 H new ATOM 0 HA ASN B 97 13.499 -13.178 1.205 1.00 0.00 H new ATOM 0 HB2 ASN B 97 12.941 -12.977 -1.021 1.00 0.00 H new ATOM 0 HB3 ASN B 97 11.559 -12.252 -0.224 1.00 0.00 H new ATOM 0 HD21 ASN B 97 12.082 -8.975 -1.524 1.00 0.00 H new ATOM 0 HD22 ASN B 97 11.289 -9.929 -0.266 1.00 0.00 H new ATOM 1508 N MET B 98 14.817 -10.183 0.905 1.00 0.00 N ATOM 1509 CA MET B 98 16.068 -9.437 0.887 1.00 0.00 C ATOM 1510 C MET B 98 16.092 -8.452 2.047 1.00 0.00 C ATOM 1511 O MET B 98 15.104 -7.760 2.302 1.00 0.00 O ATOM 1512 CB MET B 98 16.244 -8.677 -0.435 1.00 0.00 C ATOM 1513 CG MET B 98 16.526 -9.568 -1.635 1.00 0.00 C ATOM 1514 SD MET B 98 16.671 -8.637 -3.172 1.00 0.00 S ATOM 1515 CE MET B 98 18.082 -7.594 -2.812 1.00 0.00 C ATOM 0 H MET B 98 13.990 -9.601 1.037 1.00 0.00 H new ATOM 0 HA MET B 98 16.889 -10.147 0.985 1.00 0.00 H new ATOM 0 HB2 MET B 98 15.341 -8.098 -0.631 1.00 0.00 H new ATOM 0 HB3 MET B 98 17.062 -7.965 -0.325 1.00 0.00 H new ATOM 0 HG2 MET B 98 17.448 -10.122 -1.462 1.00 0.00 H new ATOM 0 HG3 MET B 98 15.726 -10.302 -1.733 1.00 0.00 H new ATOM 0 HE1 MET B 98 18.481 -7.188 -3.742 1.00 0.00 H new ATOM 0 HE2 MET B 98 17.773 -6.776 -2.162 1.00 0.00 H new ATOM 0 HE3 MET B 98 18.852 -8.183 -2.313 1.00 0.00 H new ATOM 1525 N ALA B 99 17.199 -8.408 2.764 1.00 0.00 N ATOM 1526 CA ALA B 99 17.348 -7.475 3.865 1.00 0.00 C ATOM 1527 C ALA B 99 17.900 -6.157 3.348 1.00 0.00 C ATOM 1528 O ALA B 99 19.045 -6.103 2.891 1.00 0.00 O ATOM 1529 CB ALA B 99 18.254 -8.058 4.935 1.00 0.00 C ATOM 0 H ALA B 99 18.008 -9.008 2.604 1.00 0.00 H new ATOM 0 HA ALA B 99 16.372 -7.293 4.314 1.00 0.00 H new ATOM 0 HB1 ALA B 99 18.355 -7.346 5.754 1.00 0.00 H new ATOM 0 HB2 ALA B 99 17.822 -8.985 5.312 1.00 0.00 H new ATOM 0 HB3 ALA B 99 19.236 -8.262 4.508 1.00 0.00 H new ATOM 1535 N GLU B 100 17.065 -5.114 3.400 1.00 0.00 N ATOM 1536 CA GLU B 100 17.403 -3.799 2.854 1.00 0.00 C ATOM 1537 C GLU B 100 17.441 -3.858 1.324 1.00 0.00 C ATOM 1538 O GLU B 100 17.944 -4.818 0.737 1.00 0.00 O ATOM 1539 CB GLU B 100 18.738 -3.295 3.427 1.00 0.00 C ATOM 1540 CG GLU B 100 19.103 -1.882 3.010 1.00 0.00 C ATOM 1541 CD GLU B 100 20.311 -1.354 3.759 1.00 0.00 C ATOM 1542 OE1 GLU B 100 20.141 -0.777 4.853 1.00 0.00 O ATOM 1543 OE2 GLU B 100 21.442 -1.512 3.251 1.00 0.00 O ATOM 0 H GLU B 100 16.137 -5.159 3.822 1.00 0.00 H new ATOM 0 HA GLU B 100 16.631 -3.088 3.149 1.00 0.00 H new ATOM 0 HB2 GLU B 100 18.693 -3.340 4.515 1.00 0.00 H new ATOM 0 HB3 GLU B 100 19.533 -3.971 3.113 1.00 0.00 H new ATOM 0 HG2 GLU B 100 19.305 -1.863 1.939 1.00 0.00 H new ATOM 0 HG3 GLU B 100 18.253 -1.223 3.186 1.00 0.00 H new ATOM 1550 N HIS B 101 16.885 -2.845 0.672 1.00 0.00 N ATOM 1551 CA HIS B 101 16.803 -2.848 -0.782 1.00 0.00 C ATOM 1552 C HIS B 101 18.142 -2.472 -1.402 1.00 0.00 C ATOM 1553 O HIS B 101 18.389 -1.316 -1.748 1.00 0.00 O ATOM 1554 CB HIS B 101 15.692 -1.917 -1.276 1.00 0.00 C ATOM 1555 CG HIS B 101 14.314 -2.407 -0.939 1.00 0.00 C ATOM 1556 ND1 HIS B 101 13.322 -1.591 -0.449 1.00 0.00 N ATOM 1557 CD2 HIS B 101 13.771 -3.647 -1.016 1.00 0.00 C ATOM 1558 CE1 HIS B 101 12.235 -2.307 -0.234 1.00 0.00 C ATOM 1559 NE2 HIS B 101 12.475 -3.558 -0.572 1.00 0.00 N ATOM 0 H HIS B 101 16.488 -2.020 1.121 1.00 0.00 H new ATOM 0 HA HIS B 101 16.555 -3.861 -1.100 1.00 0.00 H new ATOM 0 HB2 HIS B 101 15.835 -0.928 -0.840 1.00 0.00 H new ATOM 0 HB3 HIS B 101 15.776 -1.804 -2.357 1.00 0.00 H new ATOM 0 HD2 HIS B 101 14.267 -4.541 -1.363 1.00 0.00 H new ATOM 0 HE1 HIS B 101 11.301 -1.930 0.155 1.00 0.00 H new ATOM 0 HE2 HIS B 101 11.810 -4.330 -0.514 1.00 0.00 H new ATOM 1568 N ILE B 102 19.010 -3.467 -1.506 1.00 0.00 N ATOM 1569 CA ILE B 102 20.298 -3.306 -2.155 1.00 0.00 C ATOM 1570 C ILE B 102 20.124 -3.375 -3.665 1.00 0.00 C ATOM 1571 O ILE B 102 19.564 -4.341 -4.183 1.00 0.00 O ATOM 1572 CB ILE B 102 21.293 -4.402 -1.706 1.00 0.00 C ATOM 1573 CG1 ILE B 102 21.503 -4.348 -0.190 1.00 0.00 C ATOM 1574 CG2 ILE B 102 22.622 -4.256 -2.434 1.00 0.00 C ATOM 1575 CD1 ILE B 102 22.093 -3.040 0.299 1.00 0.00 C ATOM 0 H ILE B 102 18.840 -4.405 -1.143 1.00 0.00 H new ATOM 0 HA ILE B 102 20.701 -2.335 -1.869 1.00 0.00 H new ATOM 0 HB ILE B 102 20.869 -5.373 -1.962 1.00 0.00 H new ATOM 0 HG12 ILE B 102 20.546 -4.512 0.306 1.00 0.00 H new ATOM 0 HG13 ILE B 102 22.160 -5.166 0.106 1.00 0.00 H new ATOM 0 HG21 ILE B 102 23.306 -5.037 -2.103 1.00 0.00 H new ATOM 0 HG22 ILE B 102 22.460 -4.347 -3.508 1.00 0.00 H new ATOM 0 HG23 ILE B 102 23.052 -3.279 -2.213 1.00 0.00 H new ATOM 0 HD11 ILE B 102 22.212 -3.077 1.382 1.00 0.00 H new ATOM 0 HD12 ILE B 102 23.065 -2.882 -0.168 1.00 0.00 H new ATOM 0 HD13 ILE B 102 21.426 -2.219 0.035 1.00 0.00 H new ATOM 1587 N PRO B 103 20.572 -2.334 -4.385 1.00 0.00 N ATOM 1588 CA PRO B 103 20.484 -2.289 -5.846 1.00 0.00 C ATOM 1589 C PRO B 103 21.273 -3.420 -6.503 1.00 0.00 C ATOM 1590 O PRO B 103 22.491 -3.530 -6.321 1.00 0.00 O ATOM 1591 CB PRO B 103 21.086 -0.925 -6.212 1.00 0.00 C ATOM 1592 CG PRO B 103 21.866 -0.498 -5.017 1.00 0.00 C ATOM 1593 CD PRO B 103 21.187 -1.116 -3.830 1.00 0.00 C ATOM 0 HA PRO B 103 19.459 -2.413 -6.194 1.00 0.00 H new ATOM 0 HB2 PRO B 103 21.726 -1.002 -7.091 1.00 0.00 H new ATOM 0 HB3 PRO B 103 20.305 -0.203 -6.449 1.00 0.00 H new ATOM 0 HG2 PRO B 103 22.902 -0.830 -5.089 1.00 0.00 H new ATOM 0 HG3 PRO B 103 21.885 0.589 -4.932 1.00 0.00 H new ATOM 0 HD2 PRO B 103 21.898 -1.350 -3.037 1.00 0.00 H new ATOM 0 HD3 PRO B 103 20.440 -0.448 -3.401 1.00 0.00 H new ATOM 1601 N PRO B 104 20.580 -4.286 -7.263 1.00 0.00 N ATOM 1602 CA PRO B 104 21.198 -5.426 -7.945 1.00 0.00 C ATOM 1603 C PRO B 104 22.198 -4.988 -9.006 1.00 0.00 C ATOM 1604 O PRO B 104 21.878 -4.181 -9.886 1.00 0.00 O ATOM 1605 CB PRO B 104 20.014 -6.153 -8.602 1.00 0.00 C ATOM 1606 CG PRO B 104 18.801 -5.631 -7.915 1.00 0.00 C ATOM 1607 CD PRO B 104 19.132 -4.223 -7.511 1.00 0.00 C ATOM 0 HA PRO B 104 21.762 -6.050 -7.251 1.00 0.00 H new ATOM 0 HB2 PRO B 104 19.976 -5.954 -9.673 1.00 0.00 H new ATOM 0 HB3 PRO B 104 20.100 -7.233 -8.482 1.00 0.00 H new ATOM 0 HG2 PRO B 104 17.936 -5.654 -8.578 1.00 0.00 H new ATOM 0 HG3 PRO B 104 18.552 -6.239 -7.045 1.00 0.00 H new ATOM 0 HD2 PRO B 104 18.887 -3.509 -8.297 1.00 0.00 H new ATOM 0 HD3 PRO B 104 18.582 -3.918 -6.621 1.00 0.00 H new ATOM 1615 N ALA B 105 23.409 -5.504 -8.913 1.00 0.00 N ATOM 1616 CA ALA B 105 24.440 -5.197 -9.885 1.00 0.00 C ATOM 1617 C ALA B 105 24.235 -6.027 -11.145 1.00 0.00 C ATOM 1618 O ALA B 105 24.022 -7.238 -11.067 1.00 0.00 O ATOM 1619 CB ALA B 105 25.815 -5.454 -9.290 1.00 0.00 C ATOM 0 H ALA B 105 23.703 -6.140 -8.172 1.00 0.00 H new ATOM 0 HA ALA B 105 24.373 -4.142 -10.152 1.00 0.00 H new ATOM 0 HB1 ALA B 105 26.581 -5.220 -10.029 1.00 0.00 H new ATOM 0 HB2 ALA B 105 25.955 -4.825 -8.411 1.00 0.00 H new ATOM 0 HB3 ALA B 105 25.897 -6.502 -9.002 1.00 0.00 H new ATOM 1625 N PRO B 106 24.269 -5.383 -12.320 1.00 0.00 N ATOM 1626 CA PRO B 106 24.117 -6.063 -13.604 1.00 0.00 C ATOM 1627 C PRO B 106 25.376 -6.841 -13.977 1.00 0.00 C ATOM 1628 O PRO B 106 26.047 -6.534 -14.963 1.00 0.00 O ATOM 1629 CB PRO B 106 23.870 -4.919 -14.603 1.00 0.00 C ATOM 1630 CG PRO B 106 23.715 -3.682 -13.778 1.00 0.00 C ATOM 1631 CD PRO B 106 24.448 -3.942 -12.498 1.00 0.00 C ATOM 0 HA PRO B 106 23.311 -6.797 -13.589 1.00 0.00 H new ATOM 0 HB2 PRO B 106 24.703 -4.822 -15.300 1.00 0.00 H new ATOM 0 HB3 PRO B 106 22.976 -5.106 -15.198 1.00 0.00 H new ATOM 0 HG2 PRO B 106 24.127 -2.815 -14.294 1.00 0.00 H new ATOM 0 HG3 PRO B 106 22.663 -3.469 -13.588 1.00 0.00 H new ATOM 0 HD2 PRO B 106 25.501 -3.669 -12.570 1.00 0.00 H new ATOM 0 HD3 PRO B 106 24.028 -3.375 -11.667 1.00 0.00 H new ATOM 1639 N ASN B 107 25.690 -7.853 -13.179 1.00 0.00 N ATOM 1640 CA ASN B 107 26.896 -8.645 -13.380 1.00 0.00 C ATOM 1641 C ASN B 107 26.665 -9.736 -14.420 1.00 0.00 C ATOM 1642 O ASN B 107 26.895 -10.919 -14.163 1.00 0.00 O ATOM 1643 CB ASN B 107 27.360 -9.267 -12.057 1.00 0.00 C ATOM 1644 CG ASN B 107 27.753 -8.230 -11.013 1.00 0.00 C ATOM 1645 OD1 ASN B 107 28.255 -7.085 -11.455 1.00 0.00 O flip ATOM 1646 ND2 ASN B 107 27.610 -8.461 -9.813 1.00 0.00 N flip ATOM 0 H ASN B 107 25.123 -8.146 -12.383 1.00 0.00 H new ATOM 0 HA ASN B 107 27.677 -7.979 -13.747 1.00 0.00 H new ATOM 0 HB2 ASN B 107 26.562 -9.892 -11.657 1.00 0.00 H new ATOM 0 HB3 ASN B 107 28.211 -9.921 -12.249 1.00 0.00 H new ATOM 0 HD21 ASN B 107 27.220 -9.353 -9.508 1.00 0.00 H new ATOM 0 HD22 ASN B 107 27.881 -7.760 -9.123 1.00 0.00 H new ATOM 1653 N TRP B 108 26.203 -9.332 -15.590 1.00 0.00 N ATOM 1654 CA TRP B 108 26.002 -10.250 -16.694 1.00 0.00 C ATOM 1655 C TRP B 108 26.355 -9.567 -18.007 1.00 0.00 C ATOM 1656 O TRP B 108 27.153 -10.138 -18.776 1.00 0.00 O ATOM 1657 CB TRP B 108 24.567 -10.808 -16.714 1.00 0.00 C ATOM 1658 CG TRP B 108 23.479 -9.775 -16.606 1.00 0.00 C ATOM 1659 CD1 TRP B 108 22.921 -9.058 -17.626 1.00 0.00 C ATOM 1660 CD2 TRP B 108 22.797 -9.367 -15.411 1.00 0.00 C ATOM 1661 NE1 TRP B 108 21.949 -8.219 -17.138 1.00 0.00 N ATOM 1662 CE2 TRP B 108 21.853 -8.391 -15.782 1.00 0.00 C ATOM 1663 CE3 TRP B 108 22.899 -9.728 -14.063 1.00 0.00 C ATOM 1664 CZ2 TRP B 108 21.014 -7.775 -14.854 1.00 0.00 C ATOM 1665 CZ3 TRP B 108 22.066 -9.116 -13.146 1.00 0.00 C ATOM 1666 CH2 TRP B 108 21.135 -8.148 -13.544 1.00 0.00 C ATOM 1667 OXT TRP B 108 25.887 -8.429 -18.233 1.00 0.00 O ATOM 0 H TRP B 108 25.958 -8.364 -15.800 1.00 0.00 H new ATOM 0 HA TRP B 108 26.667 -11.103 -16.558 1.00 0.00 H new ATOM 0 HB2 TRP B 108 24.424 -11.368 -17.638 1.00 0.00 H new ATOM 0 HB3 TRP B 108 24.457 -11.516 -15.892 1.00 0.00 H new ATOM 0 HD1 TRP B 108 23.203 -9.139 -18.665 1.00 0.00 H new ATOM 0 HE1 TRP B 108 21.390 -7.573 -17.695 1.00 0.00 H new ATOM 0 HE3 TRP B 108 23.615 -10.471 -13.745 1.00 0.00 H new ATOM 0 HZ2 TRP B 108 20.294 -7.030 -15.159 1.00 0.00 H new ATOM 0 HZ3 TRP B 108 22.134 -9.389 -12.103 1.00 0.00 H new ATOM 0 HH2 TRP B 108 20.500 -7.687 -12.802 1.00 0.00 H new TER 1678 TRP B 108