USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 831 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 55 GLN : amide:sc= 1.07 X(o=-0.11,f=-0.33) USER MOD Set 1.2: A 81 MET CE :methyl 166:sc= -1.19 (180deg=-0.439) USER MOD Set 2.1: A 36 LYS NZ :NH3+ -109:sc= 0.87 (180deg=0) USER MOD Set 2.2: A 37 ASN : amide:sc= 0.775 K(o=1.6,f=-3.5) USER MOD Set 3.1: A 4 GLN : amide:sc= 0.152 X(o=-0.15,f=-0.46) USER MOD Set 3.2: A 6 SER OG : rot 180:sc= 0 USER MOD Set 3.3: A 109 ASN : amide:sc= -0.306 K(o=-0.15,f=-4.2!) USER MOD Single : A 2 HIS : no HD1:sc= -1.21 X(o=-1.2,f=-0.83) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 85:sc= 0.214 USER MOD Single : A 34 HIS : no HE2:sc= 0.129 K(o=0.13,f=-3.8!) USER MOD Single : A 39 THR OG1 : rot -55:sc= 0.107 USER MOD Single : A 40 CYS SG : rot 35:sc= -0.46 USER MOD Single : A 47 LYS NZ :NH3+ 165:sc= -0.0026 (180deg=-0.192) USER MOD Single : A 52 GLN : amide:sc= 0.0153 X(o=0.015,f=0) USER MOD Single : A 57 TYR OH : rot -56:sc= 0.0851 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot -6:sc= 1.05 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -0.332 K(o=-0.33,f=-3.3!) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 112:sc= 1.28 USER MOD Single : A 99 HIS : no HD1:sc= -1.7 K(o=-1.7,f=-0.53) USER MOD Single : A 103 THR OG1 : rot 180:sc= -0.142 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 8 N HIS A 2 1.578 -20.382 1.531 1.00 0.00 N ATOM 9 CA HIS A 2 1.462 -18.927 1.583 1.00 0.00 C ATOM 10 C HIS A 2 1.529 -18.488 3.053 1.00 0.00 C ATOM 11 O HIS A 2 1.079 -19.215 3.944 1.00 0.00 O ATOM 12 CB HIS A 2 0.129 -18.471 0.967 1.00 0.00 C ATOM 13 CG HIS A 2 -0.016 -18.727 -0.510 1.00 0.00 C ATOM 14 ND1 HIS A 2 -0.016 -19.933 -1.174 1.00 0.00 N ATOM 15 CD2 HIS A 2 -0.195 -17.752 -1.443 1.00 0.00 C ATOM 16 CE1 HIS A 2 -0.162 -19.680 -2.487 1.00 0.00 C ATOM 17 NE2 HIS A 2 -0.252 -18.356 -2.699 1.00 0.00 N ATOM 0 HA HIS A 2 2.274 -18.475 1.014 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -0.685 -18.975 1.488 1.00 0.00 H new ATOM 0 HB3 HIS A 2 0.010 -17.403 1.148 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -0.278 -16.694 -1.245 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -0.201 -20.433 -3.260 1.00 0.00 H new ATOM 0 HE2 HIS A 2 -0.344 -17.886 -3.600 1.00 0.00 H new ATOM 25 N VAL A 3 2.004 -17.270 3.295 1.00 0.00 N ATOM 26 CA VAL A 3 2.123 -16.676 4.628 1.00 0.00 C ATOM 27 C VAL A 3 0.983 -15.695 4.825 1.00 0.00 C ATOM 28 O VAL A 3 0.643 -14.954 3.911 1.00 0.00 O ATOM 29 CB VAL A 3 3.476 -15.968 4.759 1.00 0.00 C ATOM 30 CG1 VAL A 3 3.584 -14.909 5.864 1.00 0.00 C ATOM 31 CG2 VAL A 3 4.600 -17.000 4.929 1.00 0.00 C ATOM 0 H VAL A 3 2.326 -16.650 2.552 1.00 0.00 H new ATOM 0 HA VAL A 3 2.068 -17.450 5.393 1.00 0.00 H new ATOM 0 HB VAL A 3 3.576 -15.413 3.826 1.00 0.00 H new ATOM 0 HG11 VAL A 3 4.585 -14.479 5.859 1.00 0.00 H new ATOM 0 HG12 VAL A 3 2.850 -14.123 5.687 1.00 0.00 H new ATOM 0 HG13 VAL A 3 3.393 -15.372 6.832 1.00 0.00 H new ATOM 0 HG21 VAL A 3 5.556 -16.485 5.021 1.00 0.00 H new ATOM 0 HG22 VAL A 3 4.418 -17.591 5.827 1.00 0.00 H new ATOM 0 HG23 VAL A 3 4.624 -17.658 4.060 1.00 0.00 H new ATOM 41 N GLN A 4 0.427 -15.664 6.027 1.00 0.00 N ATOM 42 CA GLN A 4 -0.650 -14.780 6.441 1.00 0.00 C ATOM 43 C GLN A 4 -0.050 -13.450 6.855 1.00 0.00 C ATOM 44 O GLN A 4 0.881 -13.418 7.666 1.00 0.00 O ATOM 45 CB GLN A 4 -1.406 -15.403 7.623 1.00 0.00 C ATOM 46 CG GLN A 4 -2.796 -15.906 7.250 1.00 0.00 C ATOM 47 CD GLN A 4 -3.525 -16.466 8.462 1.00 0.00 C ATOM 48 OE1 GLN A 4 -3.629 -17.684 8.613 1.00 0.00 O ATOM 49 NE2 GLN A 4 -4.076 -15.633 9.326 1.00 0.00 N ATOM 0 H GLN A 4 0.731 -16.286 6.776 1.00 0.00 H new ATOM 0 HA GLN A 4 -1.349 -14.631 5.618 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -0.822 -16.232 8.023 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -1.496 -14.663 8.419 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -3.376 -15.091 6.819 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -2.713 -16.678 6.485 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -3.985 -14.626 9.193 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -4.593 -15.997 10.127 1.00 0.00 H new ATOM 58 N LEU A 5 -0.621 -12.362 6.344 1.00 0.00 N ATOM 59 CA LEU A 5 -0.224 -11.007 6.650 1.00 0.00 C ATOM 60 C LEU A 5 -1.409 -10.190 7.108 1.00 0.00 C ATOM 61 O LEU A 5 -2.243 -9.752 6.313 1.00 0.00 O ATOM 62 CB LEU A 5 0.472 -10.312 5.472 1.00 0.00 C ATOM 63 CG LEU A 5 1.678 -11.029 4.848 1.00 0.00 C ATOM 64 CD1 LEU A 5 2.165 -10.200 3.657 1.00 0.00 C ATOM 65 CD2 LEU A 5 2.830 -11.211 5.838 1.00 0.00 C ATOM 0 H LEU A 5 -1.398 -12.410 5.685 1.00 0.00 H new ATOM 0 HA LEU A 5 0.502 -11.074 7.460 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -0.269 -10.152 4.688 1.00 0.00 H new ATOM 0 HB3 LEU A 5 0.800 -9.328 5.806 1.00 0.00 H new ATOM 0 HG LEU A 5 1.358 -12.024 4.540 1.00 0.00 H new ATOM 0 HD11 LEU A 5 3.023 -10.692 3.198 1.00 0.00 H new ATOM 0 HD12 LEU A 5 1.363 -10.110 2.924 1.00 0.00 H new ATOM 0 HD13 LEU A 5 2.456 -9.207 4.000 1.00 0.00 H new ATOM 0 HD21 LEU A 5 3.656 -11.723 5.345 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.166 -10.235 6.189 1.00 0.00 H new ATOM 0 HD23 LEU A 5 2.490 -11.805 6.687 1.00 0.00 H new ATOM 77 N SER A 6 -1.466 -9.952 8.406 1.00 0.00 N ATOM 78 CA SER A 6 -2.447 -9.053 8.965 1.00 0.00 C ATOM 79 C SER A 6 -1.954 -7.615 8.899 1.00 0.00 C ATOM 80 O SER A 6 -0.750 -7.358 9.016 1.00 0.00 O ATOM 81 CB SER A 6 -2.822 -9.478 10.371 1.00 0.00 C ATOM 82 OG SER A 6 -3.039 -10.878 10.485 1.00 0.00 O ATOM 0 H SER A 6 -0.839 -10.373 9.092 1.00 0.00 H new ATOM 0 HA SER A 6 -3.357 -9.103 8.367 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.030 -9.181 11.059 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.725 -8.949 10.677 1.00 0.00 H new ATOM 0 HG SER A 6 -3.276 -11.098 11.410 1.00 0.00 H new ATOM 88 N LEU A 7 -2.877 -6.674 8.702 1.00 0.00 N ATOM 89 CA LEU A 7 -2.593 -5.252 8.555 1.00 0.00 C ATOM 90 C LEU A 7 -3.646 -4.469 9.332 1.00 0.00 C ATOM 91 O LEU A 7 -4.816 -4.863 9.320 1.00 0.00 O ATOM 92 CB LEU A 7 -2.638 -4.816 7.078 1.00 0.00 C ATOM 93 CG LEU A 7 -1.557 -5.435 6.173 1.00 0.00 C ATOM 94 CD1 LEU A 7 -1.902 -5.136 4.712 1.00 0.00 C ATOM 95 CD2 LEU A 7 -0.156 -4.896 6.480 1.00 0.00 C ATOM 0 H LEU A 7 -3.872 -6.890 8.639 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.591 -5.056 8.937 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -3.617 -5.070 6.672 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -2.546 -3.731 7.034 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.542 -6.509 6.361 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -1.142 -5.570 4.062 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -2.874 -5.567 4.472 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -1.936 -4.057 4.560 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.568 -5.365 5.814 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.141 -3.816 6.330 1.00 0.00 H new ATOM 0 HD23 LEU A 7 0.102 -5.123 7.514 1.00 0.00 H new ATOM 107 N PRO A 8 -3.262 -3.361 9.979 1.00 0.00 N ATOM 108 CA PRO A 8 -4.191 -2.464 10.619 1.00 0.00 C ATOM 109 C PRO A 8 -4.946 -1.681 9.538 1.00 0.00 C ATOM 110 O PRO A 8 -4.357 -1.156 8.588 1.00 0.00 O ATOM 111 CB PRO A 8 -3.302 -1.625 11.543 1.00 0.00 C ATOM 112 CG PRO A 8 -2.015 -1.457 10.747 1.00 0.00 C ATOM 113 CD PRO A 8 -1.914 -2.831 10.086 1.00 0.00 C ATOM 0 HA PRO A 8 -4.980 -2.933 11.207 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -3.759 -0.663 11.774 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -3.123 -2.129 12.493 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -2.081 -0.650 10.017 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -1.158 -1.240 11.385 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.454 -2.750 9.101 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -1.286 -3.497 10.678 1.00 0.00 H new ATOM 121 N VAL A 9 -6.270 -1.674 9.634 1.00 0.00 N ATOM 122 CA VAL A 9 -7.167 -0.921 8.776 1.00 0.00 C ATOM 123 C VAL A 9 -7.169 0.501 9.342 1.00 0.00 C ATOM 124 O VAL A 9 -7.474 0.682 10.524 1.00 0.00 O ATOM 125 CB VAL A 9 -8.564 -1.580 8.799 1.00 0.00 C ATOM 126 CG1 VAL A 9 -9.523 -0.906 7.823 1.00 0.00 C ATOM 127 CG2 VAL A 9 -8.514 -3.072 8.422 1.00 0.00 C ATOM 0 H VAL A 9 -6.765 -2.216 10.342 1.00 0.00 H new ATOM 0 HA VAL A 9 -6.859 -0.904 7.731 1.00 0.00 H new ATOM 0 HB VAL A 9 -8.915 -1.465 9.824 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -10.494 -1.398 7.869 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -9.636 0.145 8.091 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -9.125 -0.982 6.811 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -9.521 -3.489 8.453 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.107 -3.180 7.416 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -7.879 -3.605 9.129 1.00 0.00 H new ATOM 137 N LEU A 10 -6.799 1.492 8.526 1.00 0.00 N ATOM 138 CA LEU A 10 -6.629 2.892 8.917 1.00 0.00 C ATOM 139 C LEU A 10 -7.463 3.737 7.963 1.00 0.00 C ATOM 140 O LEU A 10 -7.511 3.422 6.772 1.00 0.00 O ATOM 141 CB LEU A 10 -5.146 3.293 8.810 1.00 0.00 C ATOM 142 CG LEU A 10 -4.243 2.591 9.843 1.00 0.00 C ATOM 143 CD1 LEU A 10 -2.793 2.531 9.361 1.00 0.00 C ATOM 144 CD2 LEU A 10 -4.269 3.313 11.195 1.00 0.00 C ATOM 0 H LEU A 10 -6.602 1.334 7.538 1.00 0.00 H new ATOM 0 HA LEU A 10 -6.949 3.043 9.948 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -4.786 3.061 7.808 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.060 4.372 8.937 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.636 1.581 9.961 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.181 2.030 10.111 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.744 1.977 8.424 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.419 3.543 9.204 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.621 2.791 11.899 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -3.916 4.336 11.068 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.288 3.326 11.581 1.00 0.00 H new ATOM 156 N GLN A 11 -8.100 4.792 8.476 1.00 0.00 N ATOM 157 CA GLN A 11 -8.930 5.668 7.663 1.00 0.00 C ATOM 158 C GLN A 11 -8.041 6.558 6.813 1.00 0.00 C ATOM 159 O GLN A 11 -7.198 7.266 7.358 1.00 0.00 O ATOM 160 CB GLN A 11 -9.827 6.552 8.533 1.00 0.00 C ATOM 161 CG GLN A 11 -11.021 5.796 9.109 1.00 0.00 C ATOM 162 CD GLN A 11 -12.252 6.686 9.180 1.00 0.00 C ATOM 163 OE1 GLN A 11 -12.415 7.488 10.090 1.00 0.00 O ATOM 164 NE2 GLN A 11 -13.151 6.593 8.220 1.00 0.00 N ATOM 0 H GLN A 11 -8.053 5.057 9.460 1.00 0.00 H new ATOM 0 HA GLN A 11 -9.563 5.044 7.033 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -9.237 6.968 9.350 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -10.187 7.393 7.940 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -11.235 4.923 8.492 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -10.776 5.429 10.106 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -13.018 5.926 7.460 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -13.979 7.188 8.237 1.00 0.00 H new ATOM 173 N VAL A 12 -8.275 6.629 5.504 1.00 0.00 N ATOM 174 CA VAL A 12 -7.457 7.386 4.570 1.00 0.00 C ATOM 175 C VAL A 12 -7.408 8.869 4.947 1.00 0.00 C ATOM 176 O VAL A 12 -6.480 9.576 4.554 1.00 0.00 O ATOM 177 CB VAL A 12 -7.967 7.124 3.139 1.00 0.00 C ATOM 178 CG1 VAL A 12 -9.336 7.752 2.839 1.00 0.00 C ATOM 179 CG2 VAL A 12 -6.959 7.557 2.072 1.00 0.00 C ATOM 0 H VAL A 12 -9.057 6.150 5.057 1.00 0.00 H new ATOM 0 HA VAL A 12 -6.421 7.051 4.618 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.090 6.042 3.094 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.625 7.523 1.813 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -10.080 7.347 3.525 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.276 8.833 2.966 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -7.366 7.351 1.082 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -6.763 8.625 2.169 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -6.029 7.004 2.204 1.00 0.00 H new ATOM 189 N ARG A 13 -8.376 9.350 5.738 1.00 0.00 N ATOM 190 CA ARG A 13 -8.374 10.724 6.204 1.00 0.00 C ATOM 191 C ARG A 13 -7.211 10.959 7.170 1.00 0.00 C ATOM 192 O ARG A 13 -6.476 11.938 7.037 1.00 0.00 O ATOM 193 CB ARG A 13 -9.716 11.109 6.843 1.00 0.00 C ATOM 194 CG ARG A 13 -10.280 10.044 7.795 1.00 0.00 C ATOM 195 CD ARG A 13 -11.108 10.637 8.925 1.00 0.00 C ATOM 196 NE ARG A 13 -10.714 10.066 10.225 1.00 0.00 N ATOM 197 CZ ARG A 13 -10.933 10.591 11.433 1.00 0.00 C ATOM 198 NH1 ARG A 13 -11.654 11.697 11.576 1.00 0.00 N ATOM 199 NH2 ARG A 13 -10.404 9.998 12.493 1.00 0.00 N ATOM 0 H ARG A 13 -9.169 8.798 6.064 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.237 11.371 5.338 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -9.592 12.043 7.391 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -10.443 11.297 6.053 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -10.896 9.347 7.227 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -9.456 9.470 8.218 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -10.980 11.719 8.945 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -12.166 10.445 8.745 1.00 0.00 H new ATOM 0 HE ARG A 13 -10.221 9.174 10.199 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -12.049 12.158 10.756 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -11.812 12.086 12.506 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -9.841 9.155 12.378 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -10.560 10.384 13.424 1.00 0.00 H new ATOM 213 N ASP A 14 -7.033 10.038 8.115 1.00 0.00 N ATOM 214 CA ASP A 14 -6.040 10.106 9.180 1.00 0.00 C ATOM 215 C ASP A 14 -4.654 9.844 8.622 1.00 0.00 C ATOM 216 O ASP A 14 -3.651 10.326 9.140 1.00 0.00 O ATOM 217 CB ASP A 14 -6.299 9.010 10.220 1.00 0.00 C ATOM 218 CG ASP A 14 -7.396 9.338 11.225 1.00 0.00 C ATOM 219 OD1 ASP A 14 -7.463 10.478 11.738 1.00 0.00 O ATOM 220 OD2 ASP A 14 -8.245 8.449 11.477 1.00 0.00 O ATOM 0 H ASP A 14 -7.600 9.191 8.160 1.00 0.00 H new ATOM 0 HA ASP A 14 -6.107 11.098 9.626 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -6.564 8.089 9.700 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -5.374 8.815 10.762 1.00 0.00 H new ATOM 225 N VAL A 15 -4.605 9.030 7.573 1.00 0.00 N ATOM 226 CA VAL A 15 -3.462 8.663 6.768 1.00 0.00 C ATOM 227 C VAL A 15 -2.902 9.884 6.028 1.00 0.00 C ATOM 228 O VAL A 15 -2.986 10.023 4.819 1.00 0.00 O ATOM 229 CB VAL A 15 -3.772 7.429 5.903 1.00 0.00 C ATOM 230 CG1 VAL A 15 -2.478 6.925 5.287 1.00 0.00 C ATOM 231 CG2 VAL A 15 -4.321 6.225 6.701 1.00 0.00 C ATOM 0 H VAL A 15 -5.452 8.570 7.239 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.641 8.338 7.407 1.00 0.00 H new ATOM 0 HB VAL A 15 -4.520 7.760 5.182 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.685 6.050 4.671 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.040 7.709 4.669 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.779 6.655 6.079 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.515 5.396 6.021 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.588 5.919 7.448 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.248 6.510 7.198 1.00 0.00 H new ATOM 241 N LEU A 16 -2.408 10.861 6.770 1.00 0.00 N ATOM 242 CA LEU A 16 -1.721 12.057 6.299 1.00 0.00 C ATOM 243 C LEU A 16 -0.607 11.802 5.265 1.00 0.00 C ATOM 244 O LEU A 16 -0.170 12.746 4.607 1.00 0.00 O ATOM 245 CB LEU A 16 -1.153 12.731 7.553 1.00 0.00 C ATOM 246 CG LEU A 16 -2.260 13.398 8.390 1.00 0.00 C ATOM 247 CD1 LEU A 16 -1.811 13.579 9.836 1.00 0.00 C ATOM 248 CD2 LEU A 16 -2.603 14.749 7.778 1.00 0.00 C ATOM 0 H LEU A 16 -2.480 10.840 7.787 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.433 12.682 5.761 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.633 11.990 8.161 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.416 13.479 7.262 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.142 12.757 8.387 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.609 14.052 10.408 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.581 12.606 10.270 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.922 14.209 9.865 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.387 15.227 8.366 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.716 15.382 7.773 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.953 14.607 6.755 1.00 0.00 H new ATOM 260 N VAL A 17 -0.160 10.553 5.112 1.00 0.00 N ATOM 261 CA VAL A 17 0.727 10.079 4.051 1.00 0.00 C ATOM 262 C VAL A 17 0.179 8.784 3.457 1.00 0.00 C ATOM 263 O VAL A 17 0.308 7.706 4.033 1.00 0.00 O ATOM 264 CB VAL A 17 2.180 9.912 4.559 1.00 0.00 C ATOM 265 CG1 VAL A 17 3.122 9.382 3.466 1.00 0.00 C ATOM 266 CG2 VAL A 17 2.736 11.235 5.091 1.00 0.00 C ATOM 0 H VAL A 17 -0.421 9.809 5.759 1.00 0.00 H new ATOM 0 HA VAL A 17 0.759 10.830 3.261 1.00 0.00 H new ATOM 0 HB VAL A 17 2.136 9.180 5.366 1.00 0.00 H new ATOM 0 HG11 VAL A 17 4.129 9.282 3.871 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.770 8.409 3.123 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.135 10.079 2.628 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.758 11.086 5.441 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.730 11.979 4.294 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.117 11.584 5.918 1.00 0.00 H new ATOM 276 N ARG A 18 -0.425 8.889 2.274 1.00 0.00 N ATOM 277 CA ARG A 18 -0.971 7.799 1.468 1.00 0.00 C ATOM 278 C ARG A 18 -0.058 7.555 0.266 1.00 0.00 C ATOM 279 O ARG A 18 -0.513 7.103 -0.784 1.00 0.00 O ATOM 280 CB ARG A 18 -2.413 8.074 1.033 1.00 0.00 C ATOM 281 CG ARG A 18 -3.248 8.969 1.955 1.00 0.00 C ATOM 282 CD ARG A 18 -2.957 10.430 1.624 1.00 0.00 C ATOM 283 NE ARG A 18 -3.866 11.432 2.178 1.00 0.00 N ATOM 284 CZ ARG A 18 -3.718 12.722 1.856 1.00 0.00 C ATOM 285 NH1 ARG A 18 -2.618 13.127 1.221 1.00 0.00 N ATOM 286 NH2 ARG A 18 -4.672 13.590 2.155 1.00 0.00 N ATOM 0 H ARG A 18 -0.554 9.796 1.825 1.00 0.00 H new ATOM 0 HA ARG A 18 -1.005 6.897 2.079 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -2.389 8.531 0.044 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -2.926 7.118 0.930 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.309 8.758 1.825 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.007 8.764 2.998 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -1.949 10.661 1.968 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.956 10.537 0.539 1.00 0.00 H new ATOM 0 HE ARG A 18 -4.614 11.147 2.811 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -1.890 12.454 0.981 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -2.504 14.110 0.975 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -5.518 13.275 2.630 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -4.561 14.574 1.910 1.00 0.00 H new ATOM 300 N GLY A 19 1.211 7.946 0.350 1.00 0.00 N ATOM 301 CA GLY A 19 2.187 7.804 -0.702 1.00 0.00 C ATOM 302 C GLY A 19 3.382 7.122 -0.068 1.00 0.00 C ATOM 303 O GLY A 19 3.954 7.694 0.858 1.00 0.00 O ATOM 0 H GLY A 19 1.592 8.386 1.188 1.00 0.00 H new ATOM 0 HA2 GLY A 19 1.790 7.211 -1.526 1.00 0.00 H new ATOM 0 HA3 GLY A 19 2.463 8.775 -1.112 1.00 0.00 H new ATOM 307 N PHE A 20 3.745 5.924 -0.522 1.00 0.00 N ATOM 308 CA PHE A 20 5.046 5.350 -0.172 1.00 0.00 C ATOM 309 C PHE A 20 6.173 5.962 -1.003 1.00 0.00 C ATOM 310 O PHE A 20 7.345 5.858 -0.650 1.00 0.00 O ATOM 311 CB PHE A 20 5.048 3.849 -0.414 1.00 0.00 C ATOM 312 CG PHE A 20 4.320 3.010 0.605 1.00 0.00 C ATOM 313 CD1 PHE A 20 4.849 2.813 1.897 1.00 0.00 C ATOM 314 CD2 PHE A 20 3.139 2.363 0.220 1.00 0.00 C ATOM 315 CE1 PHE A 20 4.188 1.941 2.781 1.00 0.00 C ATOM 316 CE2 PHE A 20 2.496 1.480 1.099 1.00 0.00 C ATOM 317 CZ PHE A 20 3.025 1.263 2.381 1.00 0.00 C ATOM 0 H PHE A 20 3.167 5.338 -1.124 1.00 0.00 H new ATOM 0 HA PHE A 20 5.213 5.568 0.883 1.00 0.00 H new ATOM 0 HB2 PHE A 20 4.607 3.659 -1.392 1.00 0.00 H new ATOM 0 HB3 PHE A 20 6.083 3.511 -0.460 1.00 0.00 H new ATOM 0 HD1 PHE A 20 5.749 3.325 2.204 1.00 0.00 H new ATOM 0 HD2 PHE A 20 2.721 2.545 -0.759 1.00 0.00 H new ATOM 0 HE1 PHE A 20 4.579 1.791 3.777 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.596 0.968 0.791 1.00 0.00 H new ATOM 0 HZ PHE A 20 2.539 0.576 3.058 1.00 0.00 H new ATOM 327 N GLY A 21 5.828 6.557 -2.131 1.00 0.00 N ATOM 328 CA GLY A 21 6.772 7.069 -3.092 1.00 0.00 C ATOM 329 C GLY A 21 5.983 7.692 -4.216 1.00 0.00 C ATOM 330 O GLY A 21 4.744 7.647 -4.206 1.00 0.00 O ATOM 0 H GLY A 21 4.856 6.698 -2.406 1.00 0.00 H new ATOM 0 HA2 GLY A 21 7.428 7.807 -2.629 1.00 0.00 H new ATOM 0 HA3 GLY A 21 7.408 6.268 -3.468 1.00 0.00 H new ATOM 334 N ASP A 22 6.705 8.253 -5.176 1.00 0.00 N ATOM 335 CA ASP A 22 6.121 9.118 -6.196 1.00 0.00 C ATOM 336 C ASP A 22 6.277 8.531 -7.600 1.00 0.00 C ATOM 337 O ASP A 22 5.809 9.107 -8.578 1.00 0.00 O ATOM 338 CB ASP A 22 6.671 10.545 -6.046 1.00 0.00 C ATOM 339 CG ASP A 22 5.772 11.598 -6.691 1.00 0.00 C ATOM 340 OD1 ASP A 22 4.550 11.373 -6.808 1.00 0.00 O ATOM 341 OD2 ASP A 22 6.303 12.681 -7.040 1.00 0.00 O ATOM 0 H ASP A 22 7.712 8.122 -5.271 1.00 0.00 H new ATOM 0 HA ASP A 22 5.043 9.178 -6.044 1.00 0.00 H new ATOM 0 HB2 ASP A 22 6.789 10.774 -4.987 1.00 0.00 H new ATOM 0 HB3 ASP A 22 7.663 10.596 -6.496 1.00 0.00 H new ATOM 346 N SER A 23 6.844 7.326 -7.712 1.00 0.00 N ATOM 347 CA SER A 23 6.740 6.447 -8.876 1.00 0.00 C ATOM 348 C SER A 23 6.164 5.110 -8.400 1.00 0.00 C ATOM 349 O SER A 23 6.295 4.759 -7.228 1.00 0.00 O ATOM 350 CB SER A 23 8.136 6.252 -9.490 1.00 0.00 C ATOM 351 OG SER A 23 8.357 7.115 -10.588 1.00 0.00 O ATOM 0 H SER A 23 7.409 6.923 -6.965 1.00 0.00 H new ATOM 0 HA SER A 23 6.090 6.877 -9.638 1.00 0.00 H new ATOM 0 HB2 SER A 23 8.895 6.432 -8.729 1.00 0.00 H new ATOM 0 HB3 SER A 23 8.248 5.217 -9.814 1.00 0.00 H new ATOM 0 HG SER A 23 9.255 6.962 -10.949 1.00 0.00 H new ATOM 357 N VAL A 24 5.564 4.321 -9.296 1.00 0.00 N ATOM 358 CA VAL A 24 5.000 3.021 -8.969 1.00 0.00 C ATOM 359 C VAL A 24 6.076 2.110 -8.433 1.00 0.00 C ATOM 360 O VAL A 24 5.835 1.353 -7.499 1.00 0.00 O ATOM 361 CB VAL A 24 4.274 2.425 -10.180 1.00 0.00 C ATOM 362 CG1 VAL A 24 3.330 3.427 -10.811 1.00 0.00 C ATOM 363 CG2 VAL A 24 5.169 1.849 -11.271 1.00 0.00 C ATOM 0 H VAL A 24 5.458 4.576 -10.278 1.00 0.00 H new ATOM 0 HA VAL A 24 4.253 3.139 -8.184 1.00 0.00 H new ATOM 0 HB VAL A 24 3.727 1.585 -9.752 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.833 2.970 -11.666 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.583 3.734 -10.079 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.894 4.299 -11.142 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.551 1.455 -12.078 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.818 2.633 -11.661 1.00 0.00 H new ATOM 0 HG23 VAL A 24 5.778 1.046 -10.856 1.00 0.00 H new ATOM 373 N GLU A 25 7.262 2.202 -9.030 1.00 0.00 N ATOM 374 CA GLU A 25 8.307 1.261 -8.747 1.00 0.00 C ATOM 375 C GLU A 25 8.860 1.514 -7.342 1.00 0.00 C ATOM 376 O GLU A 25 9.244 0.561 -6.670 1.00 0.00 O ATOM 377 CB GLU A 25 9.382 1.358 -9.836 1.00 0.00 C ATOM 378 CG GLU A 25 8.852 0.862 -11.190 1.00 0.00 C ATOM 379 CD GLU A 25 9.967 0.395 -12.128 1.00 0.00 C ATOM 380 OE1 GLU A 25 10.781 1.233 -12.573 1.00 0.00 O ATOM 381 OE2 GLU A 25 9.988 -0.815 -12.463 1.00 0.00 O ATOM 0 H GLU A 25 7.509 2.922 -9.709 1.00 0.00 H new ATOM 0 HA GLU A 25 7.922 0.241 -8.759 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.715 2.392 -9.930 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.251 0.768 -9.545 1.00 0.00 H new ATOM 0 HG2 GLU A 25 8.156 0.040 -11.023 1.00 0.00 H new ATOM 0 HG3 GLU A 25 8.291 1.663 -11.671 1.00 0.00 H new ATOM 388 N GLU A 26 8.877 2.775 -6.886 1.00 0.00 N ATOM 389 CA GLU A 26 9.173 3.139 -5.503 1.00 0.00 C ATOM 390 C GLU A 26 8.141 2.475 -4.601 1.00 0.00 C ATOM 391 O GLU A 26 8.477 1.652 -3.751 1.00 0.00 O ATOM 392 CB GLU A 26 9.103 4.661 -5.296 1.00 0.00 C ATOM 393 CG GLU A 26 10.306 5.433 -5.834 1.00 0.00 C ATOM 394 CD GLU A 26 10.438 6.836 -5.235 1.00 0.00 C ATOM 395 OE1 GLU A 26 9.481 7.328 -4.594 1.00 0.00 O ATOM 396 OE2 GLU A 26 11.508 7.463 -5.417 1.00 0.00 O ATOM 0 H GLU A 26 8.682 3.580 -7.482 1.00 0.00 H new ATOM 0 HA GLU A 26 10.183 2.807 -5.263 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.201 5.039 -5.778 1.00 0.00 H new ATOM 0 HB3 GLU A 26 9.004 4.865 -4.230 1.00 0.00 H new ATOM 0 HG2 GLU A 26 11.215 4.869 -5.625 1.00 0.00 H new ATOM 0 HG3 GLU A 26 10.223 5.514 -6.918 1.00 0.00 H new ATOM 403 N ALA A 27 6.873 2.830 -4.817 1.00 0.00 N ATOM 404 CA ALA A 27 5.772 2.483 -3.946 1.00 0.00 C ATOM 405 C ALA A 27 5.680 0.962 -3.749 1.00 0.00 C ATOM 406 O ALA A 27 5.469 0.498 -2.629 1.00 0.00 O ATOM 407 CB ALA A 27 4.499 3.129 -4.512 1.00 0.00 C ATOM 0 H ALA A 27 6.587 3.381 -5.626 1.00 0.00 H new ATOM 0 HA ALA A 27 5.924 2.876 -2.941 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.651 2.883 -3.873 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.625 4.211 -4.547 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.316 2.752 -5.518 1.00 0.00 H new ATOM 413 N LEU A 28 5.902 0.180 -4.808 1.00 0.00 N ATOM 414 CA LEU A 28 5.960 -1.282 -4.782 1.00 0.00 C ATOM 415 C LEU A 28 7.059 -1.815 -3.852 1.00 0.00 C ATOM 416 O LEU A 28 6.830 -2.776 -3.108 1.00 0.00 O ATOM 417 CB LEU A 28 6.169 -1.801 -6.220 1.00 0.00 C ATOM 418 CG LEU A 28 5.305 -3.015 -6.597 1.00 0.00 C ATOM 419 CD1 LEU A 28 5.564 -3.367 -8.065 1.00 0.00 C ATOM 420 CD2 LEU A 28 5.520 -4.242 -5.717 1.00 0.00 C ATOM 0 H LEU A 28 6.052 0.563 -5.742 1.00 0.00 H new ATOM 0 HA LEU A 28 5.015 -1.649 -4.382 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.958 -0.991 -6.918 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.219 -2.066 -6.347 1.00 0.00 H new ATOM 0 HG LEU A 28 4.267 -2.724 -6.435 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.957 -4.228 -8.345 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.302 -2.517 -8.695 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.618 -3.607 -8.201 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.871 -5.050 -6.054 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.560 -4.560 -5.785 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.283 -3.994 -4.682 1.00 0.00 H new ATOM 432 N SER A 29 8.263 -1.241 -3.912 1.00 0.00 N ATOM 433 CA SER A 29 9.390 -1.628 -3.072 1.00 0.00 C ATOM 434 C SER A 29 9.104 -1.283 -1.618 1.00 0.00 C ATOM 435 O SER A 29 9.127 -2.168 -0.757 1.00 0.00 O ATOM 436 CB SER A 29 10.650 -0.900 -3.540 1.00 0.00 C ATOM 437 OG SER A 29 10.975 -1.303 -4.861 1.00 0.00 O ATOM 0 H SER A 29 8.482 -0.482 -4.558 1.00 0.00 H new ATOM 0 HA SER A 29 9.542 -2.704 -3.153 1.00 0.00 H new ATOM 0 HB2 SER A 29 10.492 0.178 -3.507 1.00 0.00 H new ATOM 0 HB3 SER A 29 11.479 -1.121 -2.868 1.00 0.00 H new ATOM 0 HG SER A 29 10.468 -0.763 -5.502 1.00 0.00 H new ATOM 443 N GLU A 30 8.821 -0.009 -1.352 1.00 0.00 N ATOM 444 CA GLU A 30 8.601 0.497 -0.017 1.00 0.00 C ATOM 445 C GLU A 30 7.483 -0.262 0.654 1.00 0.00 C ATOM 446 O GLU A 30 7.655 -0.660 1.798 1.00 0.00 O ATOM 447 CB GLU A 30 8.172 1.953 -0.082 1.00 0.00 C ATOM 448 CG GLU A 30 9.221 2.932 -0.564 1.00 0.00 C ATOM 449 CD GLU A 30 10.615 2.683 0.016 1.00 0.00 C ATOM 450 OE1 GLU A 30 10.808 2.840 1.243 1.00 0.00 O ATOM 451 OE2 GLU A 30 11.524 2.263 -0.733 1.00 0.00 O ATOM 0 H GLU A 30 8.739 0.704 -2.076 1.00 0.00 H new ATOM 0 HA GLU A 30 9.531 0.385 0.540 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.305 2.027 -0.739 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.846 2.260 0.912 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.277 2.883 -1.651 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.906 3.943 -0.306 1.00 0.00 H new ATOM 458 N ALA A 31 6.359 -0.484 -0.029 1.00 0.00 N ATOM 459 CA ALA A 31 5.246 -1.233 0.514 1.00 0.00 C ATOM 460 C ALA A 31 5.751 -2.557 1.062 1.00 0.00 C ATOM 461 O ALA A 31 5.669 -2.782 2.265 1.00 0.00 O ATOM 462 CB ALA A 31 4.193 -1.420 -0.568 1.00 0.00 C ATOM 0 H ALA A 31 6.203 -0.144 -0.978 1.00 0.00 H new ATOM 0 HA ALA A 31 4.781 -0.692 1.338 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.352 -1.984 -0.164 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.845 -0.445 -0.910 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.626 -1.965 -1.407 1.00 0.00 H new ATOM 468 N ARG A 32 6.351 -3.405 0.230 1.00 0.00 N ATOM 469 CA ARG A 32 6.896 -4.681 0.676 1.00 0.00 C ATOM 470 C ARG A 32 7.857 -4.533 1.849 1.00 0.00 C ATOM 471 O ARG A 32 7.838 -5.387 2.740 1.00 0.00 O ATOM 472 CB ARG A 32 7.515 -5.362 -0.547 1.00 0.00 C ATOM 473 CG ARG A 32 8.226 -6.674 -0.218 1.00 0.00 C ATOM 474 CD ARG A 32 9.756 -6.529 -0.221 1.00 0.00 C ATOM 475 NE ARG A 32 10.386 -7.193 0.926 1.00 0.00 N ATOM 476 CZ ARG A 32 10.283 -8.470 1.307 1.00 0.00 C ATOM 477 NH1 ARG A 32 9.581 -9.372 0.623 1.00 0.00 N ATOM 478 NH2 ARG A 32 10.895 -8.819 2.427 1.00 0.00 N ATOM 0 H ARG A 32 6.472 -3.227 -0.767 1.00 0.00 H new ATOM 0 HA ARG A 32 6.104 -5.313 1.077 1.00 0.00 H new ATOM 0 HB2 ARG A 32 6.732 -5.556 -1.280 1.00 0.00 H new ATOM 0 HB3 ARG A 32 8.226 -4.679 -1.012 1.00 0.00 H new ATOM 0 HG2 ARG A 32 7.899 -7.026 0.761 1.00 0.00 H new ATOM 0 HG3 ARG A 32 7.934 -7.434 -0.943 1.00 0.00 H new ATOM 0 HD2 ARG A 32 10.156 -6.949 -1.144 1.00 0.00 H new ATOM 0 HD3 ARG A 32 10.017 -5.471 -0.213 1.00 0.00 H new ATOM 0 HE ARG A 32 10.980 -6.603 1.509 1.00 0.00 H new ATOM 0 HH11 ARG A 32 9.094 -9.099 -0.230 1.00 0.00 H new ATOM 0 HH12 ARG A 32 9.531 -10.336 0.952 1.00 0.00 H new ATOM 0 HH21 ARG A 32 11.418 -8.124 2.960 1.00 0.00 H new ATOM 0 HH22 ARG A 32 10.844 -9.783 2.757 1.00 0.00 H new ATOM 492 N GLU A 33 8.646 -3.468 1.907 1.00 0.00 N ATOM 493 CA GLU A 33 9.502 -3.203 3.035 1.00 0.00 C ATOM 494 C GLU A 33 8.668 -2.884 4.289 1.00 0.00 C ATOM 495 O GLU A 33 8.959 -3.375 5.380 1.00 0.00 O ATOM 496 CB GLU A 33 10.483 -2.072 2.636 1.00 0.00 C ATOM 497 CG GLU A 33 10.771 -1.079 3.760 1.00 0.00 C ATOM 498 CD GLU A 33 11.686 0.081 3.392 1.00 0.00 C ATOM 499 OE1 GLU A 33 12.633 -0.093 2.579 1.00 0.00 O ATOM 500 OE2 GLU A 33 11.534 1.146 4.018 1.00 0.00 O ATOM 0 H GLU A 33 8.704 -2.768 1.167 1.00 0.00 H new ATOM 0 HA GLU A 33 10.089 -4.083 3.299 1.00 0.00 H new ATOM 0 HB2 GLU A 33 11.422 -2.518 2.308 1.00 0.00 H new ATOM 0 HB3 GLU A 33 10.072 -1.532 1.783 1.00 0.00 H new ATOM 0 HG2 GLU A 33 9.823 -0.673 4.114 1.00 0.00 H new ATOM 0 HG3 GLU A 33 11.217 -1.621 4.594 1.00 0.00 H new ATOM 507 N HIS A 34 7.624 -2.068 4.159 1.00 0.00 N ATOM 508 CA HIS A 34 6.869 -1.522 5.265 1.00 0.00 C ATOM 509 C HIS A 34 5.947 -2.611 5.789 1.00 0.00 C ATOM 510 O HIS A 34 5.648 -2.630 6.975 1.00 0.00 O ATOM 511 CB HIS A 34 6.093 -0.281 4.803 1.00 0.00 C ATOM 512 CG HIS A 34 6.933 0.975 4.695 1.00 0.00 C ATOM 513 ND1 HIS A 34 7.862 1.247 3.720 1.00 0.00 N ATOM 514 CD2 HIS A 34 6.818 2.104 5.457 1.00 0.00 C ATOM 515 CE1 HIS A 34 8.298 2.503 3.878 1.00 0.00 C ATOM 516 NE2 HIS A 34 7.731 3.045 4.972 1.00 0.00 N ATOM 0 H HIS A 34 7.276 -1.764 3.249 1.00 0.00 H new ATOM 0 HA HIS A 34 7.529 -1.203 6.072 1.00 0.00 H new ATOM 0 HB2 HIS A 34 5.644 -0.488 3.832 1.00 0.00 H new ATOM 0 HB3 HIS A 34 5.275 -0.098 5.500 1.00 0.00 H new ATOM 0 HD1 HIS A 34 8.169 0.599 2.995 1.00 0.00 H new ATOM 0 HD2 HIS A 34 6.141 2.244 6.287 1.00 0.00 H new ATOM 0 HE1 HIS A 34 8.998 3.005 3.227 1.00 0.00 H new ATOM 524 N LEU A 35 5.548 -3.554 4.939 1.00 0.00 N ATOM 525 CA LEU A 35 4.886 -4.791 5.289 1.00 0.00 C ATOM 526 C LEU A 35 5.820 -5.720 6.065 1.00 0.00 C ATOM 527 O LEU A 35 5.374 -6.355 7.022 1.00 0.00 O ATOM 528 CB LEU A 35 4.397 -5.475 3.999 1.00 0.00 C ATOM 529 CG LEU A 35 3.006 -4.984 3.569 1.00 0.00 C ATOM 530 CD1 LEU A 35 2.996 -3.814 2.605 1.00 0.00 C ATOM 531 CD2 LEU A 35 2.233 -6.122 2.896 1.00 0.00 C ATOM 0 H LEU A 35 5.690 -3.462 3.933 1.00 0.00 H new ATOM 0 HA LEU A 35 4.037 -4.569 5.936 1.00 0.00 H new ATOM 0 HB2 LEU A 35 5.111 -5.285 3.197 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.368 -6.554 4.151 1.00 0.00 H new ATOM 0 HG LEU A 35 2.546 -4.645 4.497 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.966 -3.548 2.367 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.495 -2.960 3.064 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.520 -4.092 1.690 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.248 -5.765 2.595 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.780 -6.463 2.017 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.120 -6.949 3.597 1.00 0.00 H new ATOM 543 N LYS A 36 7.093 -5.832 5.667 1.00 0.00 N ATOM 544 CA LYS A 36 8.084 -6.648 6.341 1.00 0.00 C ATOM 545 C LYS A 36 8.281 -6.111 7.751 1.00 0.00 C ATOM 546 O LYS A 36 8.174 -6.873 8.710 1.00 0.00 O ATOM 547 CB LYS A 36 9.360 -6.674 5.486 1.00 0.00 C ATOM 548 CG LYS A 36 10.410 -7.645 6.029 1.00 0.00 C ATOM 549 CD LYS A 36 11.326 -7.122 7.153 1.00 0.00 C ATOM 550 CE LYS A 36 12.078 -5.852 6.736 1.00 0.00 C ATOM 551 NZ LYS A 36 12.981 -5.355 7.787 1.00 0.00 N ATOM 0 H LYS A 36 7.460 -5.344 4.850 1.00 0.00 H new ATOM 0 HA LYS A 36 7.765 -7.685 6.450 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.103 -6.955 4.465 1.00 0.00 H new ATOM 0 HB3 LYS A 36 9.785 -5.671 5.443 1.00 0.00 H new ATOM 0 HG2 LYS A 36 9.894 -8.532 6.396 1.00 0.00 H new ATOM 0 HG3 LYS A 36 11.040 -7.964 5.198 1.00 0.00 H new ATOM 0 HD2 LYS A 36 10.729 -6.915 8.041 1.00 0.00 H new ATOM 0 HD3 LYS A 36 12.044 -7.896 7.425 1.00 0.00 H new ATOM 0 HE2 LYS A 36 12.655 -6.056 5.834 1.00 0.00 H new ATOM 0 HE3 LYS A 36 11.357 -5.074 6.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 12.595 -4.477 8.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 13.068 -6.071 8.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 13.918 -5.166 7.378 1.00 0.00 H new ATOM 565 N ASN A 37 8.540 -4.807 7.862 1.00 0.00 N ATOM 566 CA ASN A 37 8.675 -4.096 9.129 1.00 0.00 C ATOM 567 C ASN A 37 7.379 -4.226 9.936 1.00 0.00 C ATOM 568 O ASN A 37 7.392 -4.551 11.120 1.00 0.00 O ATOM 569 CB ASN A 37 8.992 -2.610 8.869 1.00 0.00 C ATOM 570 CG ASN A 37 10.319 -2.368 8.153 1.00 0.00 C ATOM 571 OD1 ASN A 37 11.244 -3.166 8.242 1.00 0.00 O ATOM 572 ND2 ASN A 37 10.439 -1.281 7.406 1.00 0.00 N ATOM 0 H ASN A 37 8.665 -4.203 7.050 1.00 0.00 H new ATOM 0 HA ASN A 37 9.494 -4.534 9.699 1.00 0.00 H new ATOM 0 HB2 ASN A 37 8.187 -2.177 8.275 1.00 0.00 H new ATOM 0 HB3 ASN A 37 9.005 -2.081 9.822 1.00 0.00 H new ATOM 0 HD21 ASN A 37 11.306 -1.103 6.900 1.00 0.00 H new ATOM 0 HD22 ASN A 37 9.664 -0.621 7.337 1.00 0.00 H new ATOM 579 N GLY A 38 6.245 -3.993 9.276 1.00 0.00 N ATOM 580 CA GLY A 38 4.901 -3.944 9.833 1.00 0.00 C ATOM 581 C GLY A 38 4.348 -2.523 9.933 1.00 0.00 C ATOM 582 O GLY A 38 3.200 -2.356 10.338 1.00 0.00 O ATOM 0 H GLY A 38 6.245 -3.822 8.270 1.00 0.00 H new ATOM 0 HA2 GLY A 38 4.235 -4.545 9.214 1.00 0.00 H new ATOM 0 HA3 GLY A 38 4.908 -4.396 10.825 1.00 0.00 H new ATOM 586 N THR A 39 5.093 -1.502 9.503 1.00 0.00 N ATOM 587 CA THR A 39 4.614 -0.122 9.434 1.00 0.00 C ATOM 588 C THR A 39 3.841 0.063 8.128 1.00 0.00 C ATOM 589 O THR A 39 4.087 0.965 7.331 1.00 0.00 O ATOM 590 CB THR A 39 5.750 0.883 9.665 1.00 0.00 C ATOM 591 OG1 THR A 39 5.306 2.218 9.630 1.00 0.00 O ATOM 592 CG2 THR A 39 6.923 0.683 8.708 1.00 0.00 C ATOM 0 H THR A 39 6.057 -1.613 9.189 1.00 0.00 H new ATOM 0 HA THR A 39 3.918 0.085 10.247 1.00 0.00 H new ATOM 0 HB THR A 39 6.112 0.679 10.673 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.843 2.387 8.783 1.00 0.00 H new ATOM 0 HG21 THR A 39 7.695 1.423 8.919 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.333 -0.318 8.840 1.00 0.00 H new ATOM 0 HG23 THR A 39 6.579 0.802 7.681 1.00 0.00 H new ATOM 600 N CYS A 40 2.871 -0.804 7.877 1.00 0.00 N ATOM 601 CA CYS A 40 1.971 -0.680 6.757 1.00 0.00 C ATOM 602 C CYS A 40 0.579 -0.949 7.292 1.00 0.00 C ATOM 603 O CYS A 40 0.425 -1.840 8.126 1.00 0.00 O ATOM 604 CB CYS A 40 2.400 -1.655 5.660 1.00 0.00 C ATOM 605 SG CYS A 40 1.178 -1.616 4.320 1.00 0.00 S ATOM 0 H CYS A 40 2.691 -1.622 8.458 1.00 0.00 H new ATOM 0 HA CYS A 40 1.986 0.311 6.304 1.00 0.00 H new ATOM 0 HB2 CYS A 40 3.384 -1.383 5.279 1.00 0.00 H new ATOM 0 HB3 CYS A 40 2.482 -2.664 6.065 1.00 0.00 H new ATOM 0 HG CYS A 40 0.708 -0.410 4.196 1.00 0.00 H new ATOM 611 N GLY A 41 -0.414 -0.207 6.812 1.00 0.00 N ATOM 612 CA GLY A 41 -1.816 -0.481 7.031 1.00 0.00 C ATOM 613 C GLY A 41 -2.569 -0.526 5.698 1.00 0.00 C ATOM 614 O GLY A 41 -1.964 -0.397 4.629 1.00 0.00 O ATOM 0 H GLY A 41 -0.253 0.625 6.244 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.930 -1.432 7.552 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.247 0.287 7.673 1.00 0.00 H new ATOM 618 N LEU A 42 -3.885 -0.752 5.749 1.00 0.00 N ATOM 619 CA LEU A 42 -4.730 -1.060 4.595 1.00 0.00 C ATOM 620 C LEU A 42 -5.905 -0.083 4.518 1.00 0.00 C ATOM 621 O LEU A 42 -6.789 -0.096 5.380 1.00 0.00 O ATOM 622 CB LEU A 42 -5.215 -2.519 4.693 1.00 0.00 C ATOM 623 CG LEU A 42 -6.123 -2.966 3.524 1.00 0.00 C ATOM 624 CD1 LEU A 42 -5.336 -3.218 2.232 1.00 0.00 C ATOM 625 CD2 LEU A 42 -6.881 -4.234 3.938 1.00 0.00 C ATOM 0 H LEU A 42 -4.407 -0.724 6.625 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.152 -0.948 3.678 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.347 -3.176 4.735 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.758 -2.647 5.629 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.822 -2.157 3.312 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.021 -3.529 1.443 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.828 -2.302 1.931 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.598 -4.002 2.402 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.524 -4.557 3.119 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -6.168 -5.024 4.172 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -7.490 -4.023 4.817 1.00 0.00 H new ATOM 637 N VAL A 43 -5.932 0.722 3.459 1.00 0.00 N ATOM 638 CA VAL A 43 -7.048 1.551 3.038 1.00 0.00 C ATOM 639 C VAL A 43 -7.986 0.705 2.184 1.00 0.00 C ATOM 640 O VAL A 43 -7.589 0.130 1.170 1.00 0.00 O ATOM 641 CB VAL A 43 -6.517 2.815 2.322 1.00 0.00 C ATOM 642 CG1 VAL A 43 -7.609 3.605 1.588 1.00 0.00 C ATOM 643 CG2 VAL A 43 -5.854 3.754 3.341 1.00 0.00 C ATOM 0 H VAL A 43 -5.127 0.815 2.839 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.625 1.909 3.890 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.802 2.461 1.579 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -7.166 4.478 1.109 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -8.071 2.971 0.831 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -8.367 3.928 2.302 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.482 4.642 2.830 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -6.585 4.048 4.094 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -5.023 3.239 3.824 1.00 0.00 H new ATOM 653 N GLU A 44 -9.250 0.610 2.591 1.00 0.00 N ATOM 654 CA GLU A 44 -10.313 0.080 1.757 1.00 0.00 C ATOM 655 C GLU A 44 -10.471 0.976 0.539 1.00 0.00 C ATOM 656 O GLU A 44 -10.661 2.185 0.673 1.00 0.00 O ATOM 657 CB GLU A 44 -11.637 0.060 2.525 1.00 0.00 C ATOM 658 CG GLU A 44 -11.668 -0.980 3.642 1.00 0.00 C ATOM 659 CD GLU A 44 -13.040 -0.960 4.310 1.00 0.00 C ATOM 660 OE1 GLU A 44 -13.320 -0.011 5.071 1.00 0.00 O ATOM 661 OE2 GLU A 44 -13.839 -1.883 4.021 1.00 0.00 O ATOM 0 H GLU A 44 -9.562 0.902 3.517 1.00 0.00 H new ATOM 0 HA GLU A 44 -10.058 -0.937 1.460 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -11.818 1.047 2.951 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -12.451 -0.140 1.828 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -11.462 -1.971 3.238 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -10.890 -0.767 4.375 1.00 0.00 H new ATOM 668 N LEU A 45 -10.420 0.360 -0.641 1.00 0.00 N ATOM 669 CA LEU A 45 -10.637 1.038 -1.908 1.00 0.00 C ATOM 670 C LEU A 45 -12.020 1.659 -1.929 1.00 0.00 C ATOM 671 O LEU A 45 -13.006 0.987 -1.616 1.00 0.00 O ATOM 672 CB LEU A 45 -10.496 0.046 -3.075 1.00 0.00 C ATOM 673 CG LEU A 45 -9.096 0.143 -3.680 1.00 0.00 C ATOM 674 CD1 LEU A 45 -8.781 -1.084 -4.541 1.00 0.00 C ATOM 675 CD2 LEU A 45 -8.989 1.407 -4.546 1.00 0.00 C ATOM 0 H LEU A 45 -10.224 -0.636 -0.740 1.00 0.00 H new ATOM 0 HA LEU A 45 -9.888 1.822 -2.019 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -10.679 -0.969 -2.724 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -11.246 0.260 -3.837 1.00 0.00 H new ATOM 0 HG LEU A 45 -8.378 0.190 -2.862 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.779 -0.988 -4.959 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.833 -1.983 -3.927 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -9.506 -1.156 -5.351 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.989 1.471 -4.975 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -9.725 1.362 -5.348 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -9.177 2.287 -3.930 1.00 0.00 H new ATOM 687 N GLU A 46 -12.105 2.906 -2.371 1.00 0.00 N ATOM 688 CA GLU A 46 -13.365 3.573 -2.609 1.00 0.00 C ATOM 689 C GLU A 46 -13.240 4.384 -3.888 1.00 0.00 C ATOM 690 O GLU A 46 -12.136 4.660 -4.371 1.00 0.00 O ATOM 691 CB GLU A 46 -13.750 4.489 -1.442 1.00 0.00 C ATOM 692 CG GLU A 46 -13.726 3.822 -0.066 1.00 0.00 C ATOM 693 CD GLU A 46 -14.523 4.653 0.927 1.00 0.00 C ATOM 694 OE1 GLU A 46 -15.772 4.594 0.859 1.00 0.00 O ATOM 695 OE2 GLU A 46 -13.890 5.411 1.699 1.00 0.00 O ATOM 0 H GLU A 46 -11.289 3.484 -2.575 1.00 0.00 H new ATOM 0 HA GLU A 46 -14.151 2.824 -2.703 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -13.071 5.341 -1.429 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -14.751 4.882 -1.622 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -14.145 2.818 -0.132 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -12.697 3.716 0.278 1.00 0.00 H new ATOM 702 N LYS A 47 -14.386 4.828 -4.397 1.00 0.00 N ATOM 703 CA LYS A 47 -14.475 5.641 -5.600 1.00 0.00 C ATOM 704 C LYS A 47 -13.861 7.034 -5.408 1.00 0.00 C ATOM 705 O LYS A 47 -13.638 7.734 -6.394 1.00 0.00 O ATOM 706 CB LYS A 47 -15.953 5.687 -6.014 1.00 0.00 C ATOM 707 CG LYS A 47 -16.106 6.011 -7.499 1.00 0.00 C ATOM 708 CD LYS A 47 -17.382 5.402 -8.095 1.00 0.00 C ATOM 709 CE LYS A 47 -18.640 6.145 -7.669 1.00 0.00 C ATOM 710 NZ LYS A 47 -18.698 7.507 -8.231 1.00 0.00 N ATOM 0 H LYS A 47 -15.293 4.628 -3.975 1.00 0.00 H new ATOM 0 HA LYS A 47 -13.886 5.196 -6.402 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -16.423 4.727 -5.799 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -16.475 6.437 -5.421 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -16.124 7.093 -7.633 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -15.238 5.637 -8.042 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -17.310 5.410 -9.183 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -17.459 4.359 -7.789 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -19.518 5.584 -7.989 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -18.677 6.201 -6.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -19.663 7.882 -8.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -18.035 8.123 -7.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -18.437 7.479 -9.237 1.00 0.00 H new ATOM 724 N GLY A 48 -13.560 7.427 -4.170 1.00 0.00 N ATOM 725 CA GLY A 48 -12.975 8.701 -3.799 1.00 0.00 C ATOM 726 C GLY A 48 -11.765 8.524 -2.881 1.00 0.00 C ATOM 727 O GLY A 48 -11.534 9.375 -2.025 1.00 0.00 O ATOM 0 H GLY A 48 -13.729 6.828 -3.362 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -12.674 9.238 -4.698 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -13.725 9.313 -3.298 1.00 0.00 H new ATOM 731 N VAL A 49 -10.973 7.455 -3.038 1.00 0.00 N ATOM 732 CA VAL A 49 -9.736 7.243 -2.282 1.00 0.00 C ATOM 733 C VAL A 49 -8.575 7.766 -3.119 1.00 0.00 C ATOM 734 O VAL A 49 -7.749 8.533 -2.636 1.00 0.00 O ATOM 735 CB VAL A 49 -9.663 5.743 -1.943 1.00 0.00 C ATOM 736 CG1 VAL A 49 -8.272 5.117 -1.824 1.00 0.00 C ATOM 737 CG2 VAL A 49 -10.372 5.515 -0.601 1.00 0.00 C ATOM 0 H VAL A 49 -11.177 6.707 -3.701 1.00 0.00 H new ATOM 0 HA VAL A 49 -9.697 7.786 -1.338 1.00 0.00 H new ATOM 0 HB VAL A 49 -10.130 5.256 -2.799 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -8.369 4.059 -1.582 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -7.742 5.226 -2.770 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -7.713 5.620 -1.035 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -10.331 4.457 -0.343 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -9.876 6.097 0.176 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -11.413 5.829 -0.681 1.00 0.00 H new ATOM 747 N LEU A 50 -8.583 7.422 -4.404 1.00 0.00 N ATOM 748 CA LEU A 50 -7.684 7.907 -5.438 1.00 0.00 C ATOM 749 C LEU A 50 -7.421 9.420 -5.350 1.00 0.00 C ATOM 750 O LEU A 50 -6.261 9.808 -5.208 1.00 0.00 O ATOM 751 CB LEU A 50 -8.264 7.497 -6.809 1.00 0.00 C ATOM 752 CG LEU A 50 -7.852 6.076 -7.168 1.00 0.00 C ATOM 753 CD1 LEU A 50 -8.543 4.962 -6.393 1.00 0.00 C ATOM 754 CD2 LEU A 50 -8.005 5.818 -8.669 1.00 0.00 C ATOM 0 H LEU A 50 -9.262 6.755 -4.770 1.00 0.00 H new ATOM 0 HA LEU A 50 -6.705 7.450 -5.296 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -9.351 7.570 -6.785 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -7.915 8.187 -7.577 1.00 0.00 H new ATOM 0 HG LEU A 50 -6.805 6.034 -6.868 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -8.170 3.996 -6.734 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -8.336 5.076 -5.329 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -9.619 5.015 -6.561 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.703 4.795 -8.895 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -9.046 5.962 -8.959 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.375 6.513 -9.224 1.00 0.00 H new ATOM 766 N PRO A 51 -8.445 10.290 -5.364 1.00 0.00 N ATOM 767 CA PRO A 51 -8.278 11.732 -5.336 1.00 0.00 C ATOM 768 C PRO A 51 -8.125 12.244 -3.892 1.00 0.00 C ATOM 769 O PRO A 51 -8.707 13.251 -3.495 1.00 0.00 O ATOM 770 CB PRO A 51 -9.553 12.223 -6.018 1.00 0.00 C ATOM 771 CG PRO A 51 -10.618 11.291 -5.446 1.00 0.00 C ATOM 772 CD PRO A 51 -9.857 9.968 -5.382 1.00 0.00 C ATOM 0 HA PRO A 51 -7.378 12.091 -5.835 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -9.761 13.267 -5.785 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -9.488 12.146 -7.103 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -10.963 11.615 -4.464 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -11.497 11.229 -6.088 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -10.135 9.406 -4.490 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -10.099 9.343 -6.241 1.00 0.00 H new ATOM 780 N GLN A 52 -7.323 11.541 -3.102 1.00 0.00 N ATOM 781 CA GLN A 52 -6.823 11.912 -1.782 1.00 0.00 C ATOM 782 C GLN A 52 -5.375 11.436 -1.694 1.00 0.00 C ATOM 783 O GLN A 52 -4.530 12.139 -1.141 1.00 0.00 O ATOM 784 CB GLN A 52 -7.643 11.299 -0.635 1.00 0.00 C ATOM 785 CG GLN A 52 -9.124 11.678 -0.703 1.00 0.00 C ATOM 786 CD GLN A 52 -9.869 11.198 0.534 1.00 0.00 C ATOM 787 OE1 GLN A 52 -9.991 11.909 1.527 1.00 0.00 O ATOM 788 NE2 GLN A 52 -10.402 9.992 0.490 1.00 0.00 N ATOM 0 H GLN A 52 -6.978 10.625 -3.389 1.00 0.00 H new ATOM 0 HA GLN A 52 -6.904 12.993 -1.669 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -7.548 10.214 -0.665 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.231 11.629 0.318 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -9.222 12.760 -0.794 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -9.574 11.241 -1.595 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -10.290 9.415 -0.344 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -10.926 9.636 1.290 1.00 0.00 H new ATOM 797 N LEU A 53 -5.061 10.308 -2.340 1.00 0.00 N ATOM 798 CA LEU A 53 -3.733 9.752 -2.435 1.00 0.00 C ATOM 799 C LEU A 53 -2.917 10.508 -3.481 1.00 0.00 C ATOM 800 O LEU A 53 -3.424 11.376 -4.192 1.00 0.00 O ATOM 801 CB LEU A 53 -3.928 8.304 -2.904 1.00 0.00 C ATOM 802 CG LEU A 53 -4.373 7.300 -1.836 1.00 0.00 C ATOM 803 CD1 LEU A 53 -5.145 7.766 -0.609 1.00 0.00 C ATOM 804 CD2 LEU A 53 -5.135 6.160 -2.503 1.00 0.00 C ATOM 0 H LEU A 53 -5.761 9.746 -2.825 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.205 9.817 -1.484 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.666 8.300 -3.706 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.989 7.954 -3.333 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.417 7.015 -1.397 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -5.369 6.910 0.027 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.544 8.485 -0.052 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -6.076 8.238 -0.923 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.453 5.443 -1.746 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -6.010 6.559 -3.016 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.487 5.662 -3.224 1.00 0.00 H new ATOM 816 N GLU A 54 -1.638 10.147 -3.544 1.00 0.00 N ATOM 817 CA GLU A 54 -0.673 10.643 -4.508 1.00 0.00 C ATOM 818 C GLU A 54 -1.072 10.165 -5.895 1.00 0.00 C ATOM 819 O GLU A 54 -1.896 10.794 -6.561 1.00 0.00 O ATOM 820 CB GLU A 54 0.741 10.223 -4.060 1.00 0.00 C ATOM 821 CG GLU A 54 1.186 10.849 -2.732 1.00 0.00 C ATOM 822 CD GLU A 54 1.409 12.366 -2.734 1.00 0.00 C ATOM 823 OE1 GLU A 54 0.580 13.139 -3.262 1.00 0.00 O ATOM 824 OE2 GLU A 54 2.383 12.824 -2.092 1.00 0.00 O ATOM 0 H GLU A 54 -1.234 9.472 -2.895 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.661 11.732 -4.558 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.774 9.137 -3.967 1.00 0.00 H new ATOM 0 HB3 GLU A 54 1.454 10.499 -4.837 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.437 10.615 -1.976 1.00 0.00 H new ATOM 0 HG3 GLU A 54 2.113 10.368 -2.421 1.00 0.00 H new ATOM 831 N GLN A 55 -0.506 9.045 -6.318 1.00 0.00 N ATOM 832 CA GLN A 55 -0.610 8.551 -7.669 1.00 0.00 C ATOM 833 C GLN A 55 -0.251 7.069 -7.672 1.00 0.00 C ATOM 834 O GLN A 55 -1.131 6.284 -7.992 1.00 0.00 O ATOM 835 CB GLN A 55 0.308 9.353 -8.602 1.00 0.00 C ATOM 836 CG GLN A 55 -0.380 10.523 -9.323 1.00 0.00 C ATOM 837 CD GLN A 55 -0.009 10.601 -10.802 1.00 0.00 C ATOM 838 OE1 GLN A 55 0.577 11.568 -11.291 1.00 0.00 O ATOM 839 NE2 GLN A 55 -0.363 9.581 -11.561 1.00 0.00 N ATOM 0 H GLN A 55 0.051 8.444 -5.710 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.629 8.671 -8.037 1.00 0.00 H new ATOM 0 HB2 GLN A 55 1.144 9.742 -8.021 1.00 0.00 H new ATOM 0 HB3 GLN A 55 0.725 8.678 -9.349 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -1.461 10.418 -9.228 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -0.106 11.458 -8.834 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -0.848 8.783 -11.150 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -0.152 9.590 -12.559 1.00 0.00 H new ATOM 848 N PRO A 56 0.991 6.647 -7.351 1.00 0.00 N ATOM 849 CA PRO A 56 1.344 5.239 -7.386 1.00 0.00 C ATOM 850 C PRO A 56 0.700 4.508 -6.208 1.00 0.00 C ATOM 851 O PRO A 56 1.287 4.377 -5.130 1.00 0.00 O ATOM 852 CB PRO A 56 2.863 5.196 -7.431 1.00 0.00 C ATOM 853 CG PRO A 56 3.291 6.461 -6.722 1.00 0.00 C ATOM 854 CD PRO A 56 2.178 7.445 -7.057 1.00 0.00 C ATOM 0 HA PRO A 56 0.962 4.710 -8.259 1.00 0.00 H new ATOM 0 HB2 PRO A 56 3.251 4.309 -6.931 1.00 0.00 H new ATOM 0 HB3 PRO A 56 3.230 5.171 -8.457 1.00 0.00 H new ATOM 0 HG2 PRO A 56 3.382 6.308 -5.647 1.00 0.00 H new ATOM 0 HG3 PRO A 56 4.259 6.813 -7.077 1.00 0.00 H new ATOM 0 HD2 PRO A 56 1.994 8.121 -6.222 1.00 0.00 H new ATOM 0 HD3 PRO A 56 2.451 8.063 -7.912 1.00 0.00 H new ATOM 862 N TYR A 57 -0.527 4.051 -6.436 1.00 0.00 N ATOM 863 CA TYR A 57 -1.361 3.354 -5.478 1.00 0.00 C ATOM 864 C TYR A 57 -0.891 1.908 -5.418 1.00 0.00 C ATOM 865 O TYR A 57 -0.903 1.178 -6.413 1.00 0.00 O ATOM 866 CB TYR A 57 -2.839 3.403 -5.896 1.00 0.00 C ATOM 867 CG TYR A 57 -3.350 4.765 -6.325 1.00 0.00 C ATOM 868 CD1 TYR A 57 -3.023 5.933 -5.603 1.00 0.00 C ATOM 869 CD2 TYR A 57 -4.157 4.852 -7.471 1.00 0.00 C ATOM 870 CE1 TYR A 57 -3.454 7.192 -6.061 1.00 0.00 C ATOM 871 CE2 TYR A 57 -4.604 6.100 -7.924 1.00 0.00 C ATOM 872 CZ TYR A 57 -4.236 7.276 -7.232 1.00 0.00 C ATOM 873 OH TYR A 57 -4.656 8.490 -7.664 1.00 0.00 O ATOM 0 H TYR A 57 -0.984 4.165 -7.341 1.00 0.00 H new ATOM 0 HA TYR A 57 -1.277 3.832 -4.502 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -2.990 2.702 -6.717 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -3.447 3.052 -5.062 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -2.440 5.860 -4.697 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -4.434 3.955 -8.004 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -3.188 8.088 -5.520 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -5.230 6.163 -8.802 1.00 0.00 H new ATOM 0 HH TYR A 57 -5.155 8.937 -6.949 1.00 0.00 H new ATOM 883 N VAL A 58 -0.462 1.510 -4.226 1.00 0.00 N ATOM 884 CA VAL A 58 -0.015 0.162 -3.962 1.00 0.00 C ATOM 885 C VAL A 58 -1.257 -0.665 -3.667 1.00 0.00 C ATOM 886 O VAL A 58 -1.787 -0.597 -2.566 1.00 0.00 O ATOM 887 CB VAL A 58 1.001 0.167 -2.809 1.00 0.00 C ATOM 888 CG1 VAL A 58 1.634 -1.222 -2.627 1.00 0.00 C ATOM 889 CG2 VAL A 58 2.093 1.214 -3.050 1.00 0.00 C ATOM 0 H VAL A 58 -0.417 2.125 -3.413 1.00 0.00 H new ATOM 0 HA VAL A 58 0.505 -0.277 -4.813 1.00 0.00 H new ATOM 0 HB VAL A 58 0.465 0.425 -1.896 1.00 0.00 H new ATOM 0 HG11 VAL A 58 2.349 -1.191 -1.805 1.00 0.00 H new ATOM 0 HG12 VAL A 58 0.855 -1.950 -2.403 1.00 0.00 H new ATOM 0 HG13 VAL A 58 2.148 -1.511 -3.544 1.00 0.00 H new ATOM 0 HG21 VAL A 58 2.801 1.199 -2.221 1.00 0.00 H new ATOM 0 HG22 VAL A 58 2.617 0.986 -3.978 1.00 0.00 H new ATOM 0 HG23 VAL A 58 1.640 2.203 -3.122 1.00 0.00 H new ATOM 899 N PHE A 59 -1.779 -1.393 -4.645 1.00 0.00 N ATOM 900 CA PHE A 59 -2.984 -2.193 -4.495 1.00 0.00 C ATOM 901 C PHE A 59 -2.695 -3.532 -3.868 1.00 0.00 C ATOM 902 O PHE A 59 -1.545 -3.960 -3.751 1.00 0.00 O ATOM 903 CB PHE A 59 -3.591 -2.365 -5.895 1.00 0.00 C ATOM 904 CG PHE A 59 -4.227 -1.165 -6.549 1.00 0.00 C ATOM 905 CD1 PHE A 59 -4.987 -0.268 -5.792 1.00 0.00 C ATOM 906 CD2 PHE A 59 -4.079 -0.963 -7.932 1.00 0.00 C ATOM 907 CE1 PHE A 59 -5.582 0.852 -6.394 1.00 0.00 C ATOM 908 CE2 PHE A 59 -4.752 0.108 -8.551 1.00 0.00 C ATOM 909 CZ PHE A 59 -5.530 1.000 -7.792 1.00 0.00 C ATOM 0 H PHE A 59 -1.370 -1.444 -5.578 1.00 0.00 H new ATOM 0 HA PHE A 59 -3.682 -1.690 -3.826 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -2.804 -2.727 -6.557 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.344 -3.151 -5.837 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -5.118 -0.439 -4.734 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -3.454 -1.624 -8.515 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -6.077 1.596 -5.787 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -4.670 0.246 -9.619 1.00 0.00 H new ATOM 0 HZ PHE A 59 -6.082 1.791 -8.278 1.00 0.00 H new ATOM 919 N ILE A 60 -3.805 -4.206 -3.572 1.00 0.00 N ATOM 920 CA ILE A 60 -3.852 -5.633 -3.423 1.00 0.00 C ATOM 921 C ILE A 60 -4.940 -6.217 -4.316 1.00 0.00 C ATOM 922 O ILE A 60 -6.065 -5.717 -4.319 1.00 0.00 O ATOM 923 CB ILE A 60 -4.040 -6.019 -1.955 1.00 0.00 C ATOM 924 CG1 ILE A 60 -5.333 -5.500 -1.307 1.00 0.00 C ATOM 925 CG2 ILE A 60 -2.838 -5.609 -1.127 1.00 0.00 C ATOM 926 CD1 ILE A 60 -5.605 -6.049 0.092 1.00 0.00 C ATOM 0 H ILE A 60 -4.707 -3.753 -3.429 1.00 0.00 H new ATOM 0 HA ILE A 60 -2.900 -6.057 -3.743 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.134 -7.105 -1.965 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -5.287 -4.412 -1.254 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -6.174 -5.752 -1.952 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -2.998 -5.895 -0.087 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.947 -6.108 -1.508 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.704 -4.529 -1.190 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -6.537 -5.630 0.473 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -5.687 -7.135 0.047 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -4.786 -5.774 0.756 1.00 0.00 H new ATOM 938 N LYS A 61 -4.653 -7.301 -5.034 1.00 0.00 N ATOM 939 CA LYS A 61 -5.655 -8.066 -5.788 1.00 0.00 C ATOM 940 C LYS A 61 -5.498 -9.544 -5.487 1.00 0.00 C ATOM 941 O LYS A 61 -4.399 -9.960 -5.143 1.00 0.00 O ATOM 942 CB LYS A 61 -5.505 -7.820 -7.296 1.00 0.00 C ATOM 943 CG LYS A 61 -4.089 -7.910 -7.887 1.00 0.00 C ATOM 944 CD LYS A 61 -3.951 -8.640 -9.236 1.00 0.00 C ATOM 945 CE LYS A 61 -4.833 -8.040 -10.323 1.00 0.00 C ATOM 946 NZ LYS A 61 -4.857 -8.849 -11.559 1.00 0.00 N ATOM 0 H LYS A 61 -3.709 -7.680 -5.112 1.00 0.00 H new ATOM 0 HA LYS A 61 -6.648 -7.736 -5.484 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.135 -8.539 -7.819 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.901 -6.829 -7.517 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.705 -6.897 -8.007 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -3.448 -8.411 -7.161 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -2.910 -8.605 -9.558 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -4.209 -9.691 -9.104 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -5.849 -7.937 -9.943 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -4.478 -7.037 -10.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -5.473 -8.392 -12.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -3.893 -8.927 -11.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -5.222 -9.799 -11.345 1.00 0.00 H new ATOM 960 N ARG A 62 -6.559 -10.344 -5.626 1.00 0.00 N ATOM 961 CA ARG A 62 -6.569 -11.800 -5.391 1.00 0.00 C ATOM 962 C ARG A 62 -5.797 -12.586 -6.451 1.00 0.00 C ATOM 963 O ARG A 62 -6.338 -13.472 -7.112 1.00 0.00 O ATOM 964 CB ARG A 62 -7.996 -12.335 -5.157 1.00 0.00 C ATOM 965 CG ARG A 62 -8.971 -11.825 -6.208 1.00 0.00 C ATOM 966 CD ARG A 62 -10.232 -12.686 -6.384 1.00 0.00 C ATOM 967 NE ARG A 62 -10.291 -13.314 -7.720 1.00 0.00 N ATOM 968 CZ ARG A 62 -10.979 -12.891 -8.792 1.00 0.00 C ATOM 969 NH1 ARG A 62 -11.725 -11.790 -8.724 1.00 0.00 N ATOM 970 NH2 ARG A 62 -10.919 -13.577 -9.926 1.00 0.00 N ATOM 0 H ARG A 62 -7.470 -9.988 -5.916 1.00 0.00 H new ATOM 0 HA ARG A 62 -6.021 -11.967 -4.463 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -7.982 -13.425 -5.172 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -8.339 -12.034 -4.167 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -9.273 -10.812 -5.943 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -8.453 -11.763 -7.165 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -10.252 -13.461 -5.618 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -11.117 -12.068 -6.235 1.00 0.00 H new ATOM 0 HE ARG A 62 -9.746 -14.168 -7.842 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -11.776 -11.262 -7.853 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -12.245 -11.475 -9.543 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -10.351 -14.423 -9.981 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -11.440 -13.259 -10.743 1.00 0.00 H new ATOM 984 N SER A 63 -4.500 -12.312 -6.519 1.00 0.00 N ATOM 985 CA SER A 63 -3.487 -12.806 -7.431 1.00 0.00 C ATOM 986 C SER A 63 -3.860 -12.563 -8.898 1.00 0.00 C ATOM 987 O SER A 63 -4.952 -12.079 -9.212 1.00 0.00 O ATOM 988 CB SER A 63 -3.161 -14.257 -7.067 1.00 0.00 C ATOM 989 OG SER A 63 -4.247 -15.114 -7.358 1.00 0.00 O ATOM 0 H SER A 63 -4.089 -11.658 -5.853 1.00 0.00 H new ATOM 0 HA SER A 63 -2.564 -12.238 -7.317 1.00 0.00 H new ATOM 0 HB2 SER A 63 -2.279 -14.583 -7.618 1.00 0.00 H new ATOM 0 HB3 SER A 63 -2.917 -14.323 -6.007 1.00 0.00 H new ATOM 0 HG SER A 63 -5.018 -14.580 -7.641 1.00 0.00 H new ATOM 1116 N LYS A 73 -8.303 -16.056 1.360 1.00 0.00 N ATOM 1117 CA LYS A 73 -7.995 -15.171 0.251 1.00 0.00 C ATOM 1118 C LYS A 73 -6.526 -14.750 0.239 1.00 0.00 C ATOM 1119 O LYS A 73 -6.104 -13.844 0.968 1.00 0.00 O ATOM 1120 CB LYS A 73 -8.971 -13.980 0.186 1.00 0.00 C ATOM 1121 CG LYS A 73 -10.290 -14.321 -0.540 1.00 0.00 C ATOM 1122 CD LYS A 73 -11.544 -14.353 0.340 1.00 0.00 C ATOM 1123 CE LYS A 73 -11.850 -12.968 0.921 1.00 0.00 C ATOM 1124 NZ LYS A 73 -13.112 -12.936 1.686 1.00 0.00 N ATOM 0 HA LYS A 73 -8.144 -15.736 -0.669 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.196 -13.646 1.199 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -8.486 -13.147 -0.324 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -10.445 -13.591 -1.335 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -10.179 -15.294 -1.018 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -12.394 -14.700 -0.247 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -11.404 -15.068 1.151 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -11.029 -12.661 1.569 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -11.903 -12.242 0.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -13.270 -11.977 2.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -13.902 -13.201 1.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -13.055 -13.607 2.478 1.00 0.00 H new ATOM 1138 N VAL A 74 -5.776 -15.430 -0.618 1.00 0.00 N ATOM 1139 CA VAL A 74 -4.492 -15.040 -1.165 1.00 0.00 C ATOM 1140 C VAL A 74 -4.714 -13.809 -2.032 1.00 0.00 C ATOM 1141 O VAL A 74 -5.644 -13.764 -2.839 1.00 0.00 O ATOM 1142 CB VAL A 74 -3.928 -16.228 -1.969 1.00 0.00 C ATOM 1143 CG1 VAL A 74 -2.651 -15.842 -2.721 1.00 0.00 C ATOM 1144 CG2 VAL A 74 -3.667 -17.431 -1.043 1.00 0.00 C ATOM 0 H VAL A 74 -6.077 -16.338 -0.973 1.00 0.00 H new ATOM 0 HA VAL A 74 -3.768 -14.789 -0.389 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.676 -16.512 -2.710 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.281 -16.704 -3.277 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -2.868 -15.029 -3.414 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.893 -15.518 -2.008 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -3.269 -18.261 -1.628 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.946 -17.150 -0.275 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -4.601 -17.735 -0.570 1.00 0.00 H new ATOM 1154 N VAL A 75 -3.849 -12.815 -1.870 1.00 0.00 N ATOM 1155 CA VAL A 75 -3.775 -11.627 -2.703 1.00 0.00 C ATOM 1156 C VAL A 75 -2.291 -11.292 -2.872 1.00 0.00 C ATOM 1157 O VAL A 75 -1.426 -11.963 -2.298 1.00 0.00 O ATOM 1158 CB VAL A 75 -4.630 -10.472 -2.111 1.00 0.00 C ATOM 1159 CG1 VAL A 75 -6.126 -10.799 -1.908 1.00 0.00 C ATOM 1160 CG2 VAL A 75 -4.067 -10.043 -0.768 1.00 0.00 C ATOM 0 H VAL A 75 -3.153 -12.817 -1.124 1.00 0.00 H new ATOM 0 HA VAL A 75 -4.206 -11.796 -3.690 1.00 0.00 H new ATOM 0 HB VAL A 75 -4.574 -9.681 -2.859 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -6.635 -9.930 -1.491 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -6.575 -11.057 -2.867 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -6.225 -11.641 -1.222 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -4.673 -9.233 -0.361 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -4.082 -10.888 -0.080 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -3.041 -9.699 -0.897 1.00 0.00 H new ATOM 1170 N GLU A 76 -1.974 -10.261 -3.643 1.00 0.00 N ATOM 1171 CA GLU A 76 -0.606 -9.856 -3.923 1.00 0.00 C ATOM 1172 C GLU A 76 -0.553 -8.344 -4.023 1.00 0.00 C ATOM 1173 O GLU A 76 -1.589 -7.734 -4.283 1.00 0.00 O ATOM 1174 CB GLU A 76 -0.143 -10.450 -5.256 1.00 0.00 C ATOM 1175 CG GLU A 76 0.068 -11.967 -5.216 1.00 0.00 C ATOM 1176 CD GLU A 76 0.698 -12.466 -6.516 1.00 0.00 C ATOM 1177 OE1 GLU A 76 1.772 -11.955 -6.898 1.00 0.00 O ATOM 1178 OE2 GLU A 76 0.152 -13.436 -7.102 1.00 0.00 O ATOM 0 H GLU A 76 -2.673 -9.674 -4.098 1.00 0.00 H new ATOM 0 HA GLU A 76 0.043 -10.212 -3.123 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.880 -10.215 -6.024 1.00 0.00 H new ATOM 0 HB3 GLU A 76 0.790 -9.970 -5.553 1.00 0.00 H new ATOM 0 HG2 GLU A 76 0.709 -12.227 -4.374 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.887 -12.467 -5.055 1.00 0.00 H new ATOM 1185 N LEU A 77 0.640 -7.759 -3.854 1.00 0.00 N ATOM 1186 CA LEU A 77 0.883 -6.359 -4.188 1.00 0.00 C ATOM 1187 C LEU A 77 0.730 -6.167 -5.696 1.00 0.00 C ATOM 1188 O LEU A 77 0.939 -7.090 -6.487 1.00 0.00 O ATOM 1189 CB LEU A 77 2.297 -5.898 -3.781 1.00 0.00 C ATOM 1190 CG LEU A 77 2.607 -5.924 -2.276 1.00 0.00 C ATOM 1191 CD1 LEU A 77 4.010 -5.359 -2.030 1.00 0.00 C ATOM 1192 CD2 LEU A 77 1.611 -5.121 -1.436 1.00 0.00 C ATOM 0 H LEU A 77 1.457 -8.244 -3.483 1.00 0.00 H new ATOM 0 HA LEU A 77 0.157 -5.762 -3.636 1.00 0.00 H new ATOM 0 HB2 LEU A 77 3.024 -6.528 -4.293 1.00 0.00 H new ATOM 0 HB3 LEU A 77 2.445 -4.881 -4.145 1.00 0.00 H new ATOM 0 HG LEU A 77 2.535 -6.967 -1.967 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.228 -5.378 -0.962 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.744 -5.964 -2.561 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.057 -4.332 -2.391 1.00 0.00 H new ATOM 0 HD21 LEU A 77 1.890 -5.182 -0.384 1.00 0.00 H new ATOM 0 HD22 LEU A 77 1.624 -4.079 -1.754 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.609 -5.529 -1.571 1.00 0.00 H new ATOM 1204 N VAL A 78 0.427 -4.937 -6.080 1.00 0.00 N ATOM 1205 CA VAL A 78 0.329 -4.399 -7.433 1.00 0.00 C ATOM 1206 C VAL A 78 0.690 -2.915 -7.264 1.00 0.00 C ATOM 1207 O VAL A 78 0.539 -2.382 -6.157 1.00 0.00 O ATOM 1208 CB VAL A 78 -1.095 -4.654 -8.027 1.00 0.00 C ATOM 1209 CG1 VAL A 78 -2.152 -5.134 -7.015 1.00 0.00 C ATOM 1210 CG2 VAL A 78 -1.637 -3.560 -8.942 1.00 0.00 C ATOM 0 H VAL A 78 0.223 -4.218 -5.386 1.00 0.00 H new ATOM 0 HA VAL A 78 0.995 -4.874 -8.153 1.00 0.00 H new ATOM 0 HB VAL A 78 -0.899 -5.504 -8.681 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.104 -5.282 -7.525 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -1.829 -6.075 -6.570 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.273 -4.385 -6.232 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -2.629 -3.840 -9.296 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -1.701 -2.622 -8.390 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -0.969 -3.435 -9.794 1.00 0.00 H new ATOM 1220 N ALA A 79 1.118 -2.235 -8.328 1.00 0.00 N ATOM 1221 CA ALA A 79 1.349 -0.793 -8.316 1.00 0.00 C ATOM 1222 C ALA A 79 0.684 -0.174 -9.537 1.00 0.00 C ATOM 1223 O ALA A 79 0.722 -0.774 -10.616 1.00 0.00 O ATOM 1224 CB ALA A 79 2.861 -0.494 -8.316 1.00 0.00 C ATOM 0 H ALA A 79 1.315 -2.674 -9.228 1.00 0.00 H new ATOM 0 HA ALA A 79 0.919 -0.362 -7.412 1.00 0.00 H new ATOM 0 HB1 ALA A 79 3.019 0.585 -8.307 1.00 0.00 H new ATOM 0 HB2 ALA A 79 3.319 -0.935 -7.431 1.00 0.00 H new ATOM 0 HB3 ALA A 79 3.316 -0.920 -9.210 1.00 0.00 H new ATOM 1230 N GLU A 80 0.093 1.004 -9.381 1.00 0.00 N ATOM 1231 CA GLU A 80 -0.642 1.670 -10.454 1.00 0.00 C ATOM 1232 C GLU A 80 -0.585 3.179 -10.250 1.00 0.00 C ATOM 1233 O GLU A 80 -0.959 3.620 -9.170 1.00 0.00 O ATOM 1234 CB GLU A 80 -2.095 1.179 -10.448 1.00 0.00 C ATOM 1235 CG GLU A 80 -2.501 0.623 -11.810 1.00 0.00 C ATOM 1236 CD GLU A 80 -2.140 1.530 -12.973 1.00 0.00 C ATOM 1237 OE1 GLU A 80 -2.431 2.746 -12.878 1.00 0.00 O ATOM 1238 OE2 GLU A 80 -1.623 0.979 -13.967 1.00 0.00 O ATOM 0 H GLU A 80 0.109 1.527 -8.506 1.00 0.00 H new ATOM 0 HA GLU A 80 -0.192 1.433 -11.418 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -2.217 0.408 -9.688 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -2.757 2.001 -10.177 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -2.022 -0.346 -11.954 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -3.577 0.451 -11.816 1.00 0.00 H new ATOM 1245 N MET A 81 -0.134 3.963 -11.240 1.00 0.00 N ATOM 1246 CA MET A 81 -0.016 5.414 -11.075 1.00 0.00 C ATOM 1247 C MET A 81 -1.355 6.140 -11.187 1.00 0.00 C ATOM 1248 O MET A 81 -1.489 7.246 -10.662 1.00 0.00 O ATOM 1249 CB MET A 81 1.028 6.023 -12.026 1.00 0.00 C ATOM 1250 CG MET A 81 0.592 6.164 -13.490 1.00 0.00 C ATOM 1251 SD MET A 81 1.846 6.891 -14.584 1.00 0.00 S ATOM 1252 CE MET A 81 2.131 8.505 -13.794 1.00 0.00 C ATOM 0 H MET A 81 0.152 3.617 -12.156 1.00 0.00 H new ATOM 0 HA MET A 81 0.337 5.565 -10.055 1.00 0.00 H new ATOM 0 HB2 MET A 81 1.302 7.009 -11.651 1.00 0.00 H new ATOM 0 HB3 MET A 81 1.927 5.407 -11.991 1.00 0.00 H new ATOM 0 HG2 MET A 81 0.322 5.179 -13.872 1.00 0.00 H new ATOM 0 HG3 MET A 81 -0.307 6.779 -13.530 1.00 0.00 H new ATOM 0 HE1 MET A 81 3.038 8.953 -14.199 1.00 0.00 H new ATOM 0 HE2 MET A 81 1.283 9.161 -13.991 1.00 0.00 H new ATOM 0 HE3 MET A 81 2.242 8.369 -12.718 1.00 0.00 H new ATOM 1262 N ASP A 82 -2.342 5.579 -11.885 1.00 0.00 N ATOM 1263 CA ASP A 82 -3.643 6.237 -12.063 1.00 0.00 C ATOM 1264 C ASP A 82 -4.784 5.286 -11.740 1.00 0.00 C ATOM 1265 O ASP A 82 -5.954 5.605 -11.942 1.00 0.00 O ATOM 1266 CB ASP A 82 -3.759 6.897 -13.447 1.00 0.00 C ATOM 1267 CG ASP A 82 -3.113 8.277 -13.460 1.00 0.00 C ATOM 1268 OD1 ASP A 82 -3.602 9.197 -12.754 1.00 0.00 O ATOM 1269 OD2 ASP A 82 -2.105 8.449 -14.171 1.00 0.00 O ATOM 0 H ASP A 82 -2.268 4.668 -12.339 1.00 0.00 H new ATOM 0 HA ASP A 82 -3.719 7.054 -11.345 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -3.283 6.263 -14.195 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -4.810 6.983 -13.724 1.00 0.00 H new ATOM 1274 N GLY A 83 -4.456 4.097 -11.232 1.00 0.00 N ATOM 1275 CA GLY A 83 -5.381 2.993 -11.112 1.00 0.00 C ATOM 1276 C GLY A 83 -6.004 2.673 -12.469 1.00 0.00 C ATOM 1277 O GLY A 83 -7.180 2.313 -12.528 1.00 0.00 O ATOM 0 H GLY A 83 -3.520 3.881 -10.889 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -4.862 2.115 -10.727 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -6.163 3.242 -10.395 1.00 0.00 H new ATOM 1281 N ILE A 84 -5.214 2.795 -13.544 1.00 0.00 N ATOM 1282 CA ILE A 84 -5.562 2.532 -14.937 1.00 0.00 C ATOM 1283 C ILE A 84 -6.371 1.250 -15.006 1.00 0.00 C ATOM 1284 O ILE A 84 -7.507 1.232 -15.490 1.00 0.00 O ATOM 1285 CB ILE A 84 -4.246 2.430 -15.749 1.00 0.00 C ATOM 1286 CG1 ILE A 84 -3.697 3.840 -16.025 1.00 0.00 C ATOM 1287 CG2 ILE A 84 -4.308 1.554 -17.012 1.00 0.00 C ATOM 1288 CD1 ILE A 84 -2.192 3.848 -16.312 1.00 0.00 C ATOM 0 H ILE A 84 -4.246 3.103 -13.450 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.170 3.333 -15.359 1.00 0.00 H new ATOM 0 HB ILE A 84 -3.543 1.884 -15.120 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -4.226 4.271 -16.875 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -3.901 4.479 -15.166 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -3.335 1.553 -17.502 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -4.576 0.534 -16.735 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -5.058 1.953 -17.695 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -1.863 4.870 -16.499 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -1.656 3.445 -15.453 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -1.986 3.234 -17.189 1.00 0.00 H new ATOM 1300 N GLN A 85 -5.751 0.193 -14.505 1.00 0.00 N ATOM 1301 CA GLN A 85 -6.315 -1.108 -14.296 1.00 0.00 C ATOM 1302 C GLN A 85 -6.506 -1.226 -12.784 1.00 0.00 C ATOM 1303 O GLN A 85 -6.003 -0.415 -12.000 1.00 0.00 O ATOM 1304 CB GLN A 85 -5.321 -2.127 -14.897 1.00 0.00 C ATOM 1305 CG GLN A 85 -5.873 -3.512 -15.263 1.00 0.00 C ATOM 1306 CD GLN A 85 -6.759 -3.504 -16.514 1.00 0.00 C ATOM 1307 OE1 GLN A 85 -7.700 -2.716 -16.630 1.00 0.00 O ATOM 1308 NE2 GLN A 85 -6.505 -4.367 -17.483 1.00 0.00 N ATOM 0 H GLN A 85 -4.773 0.237 -14.218 1.00 0.00 H new ATOM 0 HA GLN A 85 -7.277 -1.288 -14.775 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -4.888 -1.687 -15.796 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -4.507 -2.265 -14.186 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -5.040 -4.197 -15.422 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -6.448 -3.899 -14.422 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -5.728 -5.021 -17.392 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -7.086 -4.378 -18.321 1.00 0.00 H new ATOM 1317 N TYR A 86 -7.214 -2.264 -12.366 1.00 0.00 N ATOM 1318 CA TYR A 86 -7.347 -2.713 -10.981 1.00 0.00 C ATOM 1319 C TYR A 86 -8.272 -1.804 -10.142 1.00 0.00 C ATOM 1320 O TYR A 86 -9.235 -2.307 -9.559 1.00 0.00 O ATOM 1321 CB TYR A 86 -5.975 -2.879 -10.303 1.00 0.00 C ATOM 1322 CG TYR A 86 -4.850 -3.457 -11.144 1.00 0.00 C ATOM 1323 CD1 TYR A 86 -4.873 -4.792 -11.586 1.00 0.00 C ATOM 1324 CD2 TYR A 86 -3.748 -2.647 -11.464 1.00 0.00 C ATOM 1325 CE1 TYR A 86 -3.748 -5.347 -12.218 1.00 0.00 C ATOM 1326 CE2 TYR A 86 -2.657 -3.165 -12.180 1.00 0.00 C ATOM 1327 CZ TYR A 86 -2.626 -4.536 -12.505 1.00 0.00 C ATOM 1328 OH TYR A 86 -1.516 -5.060 -13.087 1.00 0.00 O ATOM 0 H TYR A 86 -7.740 -2.849 -13.015 1.00 0.00 H new ATOM 0 HA TYR A 86 -7.824 -3.692 -11.026 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -5.657 -1.902 -9.940 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -6.105 -3.517 -9.429 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -5.759 -5.392 -11.439 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -3.740 -1.612 -11.155 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -3.740 -6.394 -12.485 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -1.847 -2.517 -12.480 1.00 0.00 H new ATOM 0 HH TYR A 86 -0.847 -4.355 -13.210 1.00 0.00 H new ATOM 1338 N GLY A 87 -8.002 -0.498 -10.026 1.00 0.00 N ATOM 1339 CA GLY A 87 -8.611 0.414 -9.040 1.00 0.00 C ATOM 1340 C GLY A 87 -10.138 0.520 -9.123 1.00 0.00 C ATOM 1341 O GLY A 87 -10.809 0.875 -8.152 1.00 0.00 O ATOM 0 H GLY A 87 -7.332 -0.028 -10.634 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -8.337 0.080 -8.039 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -8.184 1.408 -9.172 1.00 0.00 H new ATOM 1345 N ARG A 88 -10.698 0.169 -10.276 1.00 0.00 N ATOM 1346 CA ARG A 88 -12.143 0.071 -10.525 1.00 0.00 C ATOM 1347 C ARG A 88 -12.561 -1.276 -11.120 1.00 0.00 C ATOM 1348 O ARG A 88 -13.604 -1.373 -11.773 1.00 0.00 O ATOM 1349 CB ARG A 88 -12.617 1.277 -11.360 1.00 0.00 C ATOM 1350 CG ARG A 88 -13.950 1.879 -10.882 1.00 0.00 C ATOM 1351 CD ARG A 88 -13.822 2.805 -9.662 1.00 0.00 C ATOM 1352 NE ARG A 88 -13.534 2.091 -8.401 1.00 0.00 N ATOM 1353 CZ ARG A 88 -14.363 1.920 -7.363 1.00 0.00 C ATOM 1354 NH1 ARG A 88 -15.613 2.366 -7.412 1.00 0.00 N ATOM 1355 NH2 ARG A 88 -13.946 1.294 -6.266 1.00 0.00 N ATOM 0 H ARG A 88 -10.142 -0.065 -11.098 1.00 0.00 H new ATOM 0 HA ARG A 88 -12.653 0.110 -9.562 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -11.849 2.050 -11.332 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -12.721 0.968 -12.400 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -14.398 2.438 -11.703 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -14.635 1.067 -10.638 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -13.029 3.529 -9.848 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -14.748 3.369 -9.546 1.00 0.00 H new ATOM 0 HE ARG A 88 -12.603 1.684 -8.311 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -15.951 2.845 -8.247 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -16.235 2.230 -6.615 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -12.990 0.941 -6.212 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -14.582 1.167 -5.479 1.00 0.00 H new ATOM 1369 N SER A 89 -11.760 -2.324 -10.937 1.00 0.00 N ATOM 1370 CA SER A 89 -12.144 -3.691 -11.272 1.00 0.00 C ATOM 1371 C SER A 89 -12.935 -4.322 -10.114 1.00 0.00 C ATOM 1372 O SER A 89 -13.991 -4.932 -10.311 1.00 0.00 O ATOM 1373 CB SER A 89 -10.888 -4.499 -11.614 1.00 0.00 C ATOM 1374 OG SER A 89 -9.962 -3.839 -12.459 1.00 0.00 O ATOM 0 H SER A 89 -10.820 -2.246 -10.549 1.00 0.00 H new ATOM 0 HA SER A 89 -12.797 -3.690 -12.145 1.00 0.00 H new ATOM 0 HB2 SER A 89 -10.383 -4.767 -10.686 1.00 0.00 H new ATOM 0 HB3 SER A 89 -11.192 -5.430 -12.091 1.00 0.00 H new ATOM 0 HG SER A 89 -9.194 -4.425 -12.623 1.00 0.00 H new ATOM 1380 N GLY A 90 -12.467 -4.153 -8.874 1.00 0.00 N ATOM 1381 CA GLY A 90 -13.111 -4.718 -7.690 1.00 0.00 C ATOM 1382 C GLY A 90 -12.659 -6.145 -7.371 1.00 0.00 C ATOM 1383 O GLY A 90 -12.944 -6.621 -6.276 1.00 0.00 O ATOM 0 H GLY A 90 -11.625 -3.617 -8.665 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -12.901 -4.079 -6.832 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -14.191 -4.712 -7.836 1.00 0.00 H new ATOM 1387 N ILE A 91 -11.893 -6.807 -8.253 1.00 0.00 N ATOM 1388 CA ILE A 91 -10.934 -7.839 -7.834 1.00 0.00 C ATOM 1389 C ILE A 91 -10.022 -7.263 -6.748 1.00 0.00 C ATOM 1390 O ILE A 91 -9.642 -7.969 -5.819 1.00 0.00 O ATOM 1391 CB ILE A 91 -10.104 -8.387 -9.032 1.00 0.00 C ATOM 1392 CG1 ILE A 91 -8.805 -9.048 -8.548 1.00 0.00 C ATOM 1393 CG2 ILE A 91 -9.782 -7.334 -10.102 1.00 0.00 C ATOM 1394 CD1 ILE A 91 -8.066 -9.932 -9.554 1.00 0.00 C ATOM 0 H ILE A 91 -11.920 -6.645 -9.260 1.00 0.00 H new ATOM 0 HA ILE A 91 -11.490 -8.686 -7.432 1.00 0.00 H new ATOM 0 HB ILE A 91 -10.744 -9.131 -9.507 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -8.124 -8.261 -8.222 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -9.037 -9.652 -7.671 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -9.202 -7.794 -10.902 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -10.710 -6.934 -10.510 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -9.205 -6.525 -9.654 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -7.167 -10.338 -9.090 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -8.715 -10.750 -9.865 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -7.788 -9.338 -10.425 1.00 0.00 H new ATOM 1406 N THR A 92 -9.625 -6.005 -6.909 1.00 0.00 N ATOM 1407 CA THR A 92 -8.714 -5.321 -6.021 1.00 0.00 C ATOM 1408 C THR A 92 -9.459 -5.014 -4.722 1.00 0.00 C ATOM 1409 O THR A 92 -10.616 -4.575 -4.754 1.00 0.00 O ATOM 1410 CB THR A 92 -8.259 -4.017 -6.675 1.00 0.00 C ATOM 1411 OG1 THR A 92 -8.226 -4.179 -8.077 1.00 0.00 O ATOM 1412 CG2 THR A 92 -6.883 -3.562 -6.198 1.00 0.00 C ATOM 0 H THR A 92 -9.942 -5.424 -7.685 1.00 0.00 H new ATOM 0 HA THR A 92 -7.840 -5.939 -5.815 1.00 0.00 H new ATOM 0 HB THR A 92 -8.977 -3.250 -6.386 1.00 0.00 H new ATOM 0 HG1 THR A 92 -8.928 -3.631 -8.486 1.00 0.00 H new ATOM 0 HG21 THR A 92 -6.614 -2.631 -6.697 1.00 0.00 H new ATOM 0 HG22 THR A 92 -6.906 -3.402 -5.120 1.00 0.00 H new ATOM 0 HG23 THR A 92 -6.144 -4.327 -6.435 1.00 0.00 H new ATOM 1420 N LEU A 93 -8.815 -5.222 -3.579 1.00 0.00 N ATOM 1421 CA LEU A 93 -9.501 -5.257 -2.300 1.00 0.00 C ATOM 1422 C LEU A 93 -9.309 -3.924 -1.574 1.00 0.00 C ATOM 1423 O LEU A 93 -10.298 -3.303 -1.172 1.00 0.00 O ATOM 1424 CB LEU A 93 -9.059 -6.465 -1.461 1.00 0.00 C ATOM 1425 CG LEU A 93 -9.135 -7.873 -2.095 1.00 0.00 C ATOM 1426 CD1 LEU A 93 -10.505 -8.180 -2.709 1.00 0.00 C ATOM 1427 CD2 LEU A 93 -8.003 -8.178 -3.079 1.00 0.00 C ATOM 0 H LEU A 93 -7.808 -5.370 -3.516 1.00 0.00 H new ATOM 0 HA LEU A 93 -10.570 -5.388 -2.469 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -8.027 -6.295 -1.154 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -9.663 -6.477 -0.554 1.00 0.00 H new ATOM 0 HG LEU A 93 -8.995 -8.552 -1.254 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -10.495 -9.182 -3.138 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -11.271 -8.124 -1.936 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -10.724 -7.453 -3.491 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -8.130 -9.184 -3.479 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -8.027 -7.457 -3.896 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -7.045 -8.110 -2.564 1.00 0.00 H new ATOM 1439 N GLY A 94 -8.070 -3.439 -1.489 1.00 0.00 N ATOM 1440 CA GLY A 94 -7.711 -2.147 -0.905 1.00 0.00 C ATOM 1441 C GLY A 94 -6.378 -1.670 -1.476 1.00 0.00 C ATOM 1442 O GLY A 94 -5.897 -2.211 -2.480 1.00 0.00 O ATOM 0 H GLY A 94 -7.261 -3.953 -1.837 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -8.490 -1.414 -1.116 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -7.641 -2.235 0.179 1.00 0.00 H new ATOM 1446 N VAL A 95 -5.817 -0.645 -0.845 1.00 0.00 N ATOM 1447 CA VAL A 95 -4.555 0.002 -1.153 1.00 0.00 C ATOM 1448 C VAL A 95 -3.778 0.075 0.161 1.00 0.00 C ATOM 1449 O VAL A 95 -4.350 0.279 1.228 1.00 0.00 O ATOM 1450 CB VAL A 95 -4.826 1.396 -1.783 1.00 0.00 C ATOM 1451 CG1 VAL A 95 -3.556 2.190 -2.089 1.00 0.00 C ATOM 1452 CG2 VAL A 95 -5.656 1.411 -3.060 1.00 0.00 C ATOM 0 H VAL A 95 -6.273 -0.213 -0.041 1.00 0.00 H new ATOM 0 HA VAL A 95 -3.965 -0.548 -1.887 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.406 1.860 -0.985 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -3.825 3.151 -2.527 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.998 2.354 -1.167 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -2.938 1.631 -2.792 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -5.777 2.438 -3.403 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -5.150 0.828 -3.830 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -6.636 0.977 -2.862 1.00 0.00 H new ATOM 1462 N LEU A 96 -2.476 -0.158 0.093 1.00 0.00 N ATOM 1463 CA LEU A 96 -1.577 -0.146 1.226 1.00 0.00 C ATOM 1464 C LEU A 96 -1.086 1.271 1.469 1.00 0.00 C ATOM 1465 O LEU A 96 -0.864 2.026 0.520 1.00 0.00 O ATOM 1466 CB LEU A 96 -0.341 -0.995 0.925 1.00 0.00 C ATOM 1467 CG LEU A 96 -0.484 -2.510 0.804 1.00 0.00 C ATOM 1468 CD1 LEU A 96 -1.356 -3.136 1.894 1.00 0.00 C ATOM 1469 CD2 LEU A 96 -0.986 -2.917 -0.571 1.00 0.00 C ATOM 0 H LEU A 96 -2.004 -0.368 -0.787 1.00 0.00 H new ATOM 0 HA LEU A 96 -2.114 -0.535 2.091 1.00 0.00 H new ATOM 0 HB2 LEU A 96 0.086 -0.631 -0.009 1.00 0.00 H new ATOM 0 HB3 LEU A 96 0.391 -0.797 1.708 1.00 0.00 H new ATOM 0 HG LEU A 96 0.523 -2.903 0.945 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -1.411 -4.214 1.742 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -0.921 -2.929 2.872 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -2.359 -2.712 1.846 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -1.075 -4.002 -0.619 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -1.961 -2.464 -0.751 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -0.282 -2.577 -1.331 1.00 0.00 H new ATOM 1481 N VAL A 97 -0.781 1.579 2.722 1.00 0.00 N ATOM 1482 CA VAL A 97 -0.236 2.863 3.164 1.00 0.00 C ATOM 1483 C VAL A 97 0.784 2.614 4.280 1.00 0.00 C ATOM 1484 O VAL A 97 0.704 1.561 4.920 1.00 0.00 O ATOM 1485 CB VAL A 97 -1.389 3.778 3.629 1.00 0.00 C ATOM 1486 CG1 VAL A 97 -2.190 4.266 2.418 1.00 0.00 C ATOM 1487 CG2 VAL A 97 -2.337 3.074 4.620 1.00 0.00 C ATOM 0 H VAL A 97 -0.910 0.920 3.490 1.00 0.00 H new ATOM 0 HA VAL A 97 0.275 3.367 2.344 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.937 4.623 4.148 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -3.002 4.911 2.755 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -1.535 4.825 1.750 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -2.604 3.409 1.886 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -3.130 3.761 4.916 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.776 2.197 4.144 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.777 2.765 5.503 1.00 0.00 H new ATOM 1497 N PRO A 98 1.763 3.504 4.517 1.00 0.00 N ATOM 1498 CA PRO A 98 2.670 3.382 5.654 1.00 0.00 C ATOM 1499 C PRO A 98 1.910 3.685 6.951 1.00 0.00 C ATOM 1500 O PRO A 98 1.318 4.759 7.073 1.00 0.00 O ATOM 1501 CB PRO A 98 3.823 4.355 5.393 1.00 0.00 C ATOM 1502 CG PRO A 98 3.335 5.305 4.299 1.00 0.00 C ATOM 1503 CD PRO A 98 2.108 4.642 3.677 1.00 0.00 C ATOM 0 HA PRO A 98 3.070 2.374 5.768 1.00 0.00 H new ATOM 0 HB2 PRO A 98 4.083 4.904 6.298 1.00 0.00 H new ATOM 0 HB3 PRO A 98 4.719 3.822 5.075 1.00 0.00 H new ATOM 0 HG2 PRO A 98 3.082 6.280 4.715 1.00 0.00 H new ATOM 0 HG3 PRO A 98 4.111 5.469 3.551 1.00 0.00 H new ATOM 0 HD2 PRO A 98 1.277 5.345 3.621 1.00 0.00 H new ATOM 0 HD3 PRO A 98 2.320 4.318 2.658 1.00 0.00 H new ATOM 1511 N HIS A 99 1.865 2.745 7.909 1.00 0.00 N ATOM 1512 CA HIS A 99 1.161 2.923 9.179 1.00 0.00 C ATOM 1513 C HIS A 99 1.981 3.861 10.066 1.00 0.00 C ATOM 1514 O HIS A 99 2.697 3.421 10.964 1.00 0.00 O ATOM 1515 CB HIS A 99 0.838 1.566 9.831 1.00 0.00 C ATOM 1516 CG HIS A 99 0.422 1.618 11.289 1.00 0.00 C ATOM 1517 ND1 HIS A 99 0.914 0.798 12.283 1.00 0.00 N ATOM 1518 CD2 HIS A 99 -0.437 2.517 11.877 1.00 0.00 C ATOM 1519 CE1 HIS A 99 0.356 1.186 13.437 1.00 0.00 C ATOM 1520 NE2 HIS A 99 -0.489 2.219 13.239 1.00 0.00 N ATOM 0 H HIS A 99 2.320 1.837 7.819 1.00 0.00 H new ATOM 0 HA HIS A 99 0.190 3.391 9.016 1.00 0.00 H new ATOM 0 HB2 HIS A 99 0.039 1.091 9.261 1.00 0.00 H new ATOM 0 HB3 HIS A 99 1.715 0.925 9.745 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -0.973 3.309 11.376 1.00 0.00 H new ATOM 0 HE1 HIS A 99 0.556 0.733 14.397 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -1.054 2.689 13.946 1.00 0.00 H new ATOM 1528 N VAL A 100 1.831 5.165 9.877 1.00 0.00 N ATOM 1529 CA VAL A 100 2.464 6.202 10.683 1.00 0.00 C ATOM 1530 C VAL A 100 1.716 6.424 12.015 1.00 0.00 C ATOM 1531 O VAL A 100 1.547 7.546 12.487 1.00 0.00 O ATOM 1532 CB VAL A 100 2.650 7.480 9.836 1.00 0.00 C ATOM 1533 CG1 VAL A 100 3.614 7.235 8.661 1.00 0.00 C ATOM 1534 CG2 VAL A 100 1.314 8.011 9.288 1.00 0.00 C ATOM 0 H VAL A 100 1.245 5.544 9.133 1.00 0.00 H new ATOM 0 HA VAL A 100 3.461 5.877 10.981 1.00 0.00 H new ATOM 0 HB VAL A 100 3.074 8.230 10.504 1.00 0.00 H new ATOM 0 HG11 VAL A 100 3.724 8.153 8.084 1.00 0.00 H new ATOM 0 HG12 VAL A 100 4.587 6.929 9.046 1.00 0.00 H new ATOM 0 HG13 VAL A 100 3.214 6.449 8.020 1.00 0.00 H new ATOM 0 HG21 VAL A 100 1.494 8.910 8.699 1.00 0.00 H new ATOM 0 HG22 VAL A 100 0.851 7.251 8.658 1.00 0.00 H new ATOM 0 HG23 VAL A 100 0.649 8.248 10.118 1.00 0.00 H new ATOM 1544 N GLY A 101 1.246 5.341 12.625 1.00 0.00 N ATOM 1545 CA GLY A 101 0.910 5.277 14.039 1.00 0.00 C ATOM 1546 C GLY A 101 -0.507 5.701 14.431 1.00 0.00 C ATOM 1547 O GLY A 101 -0.838 5.591 15.608 1.00 0.00 O ATOM 0 H GLY A 101 1.085 4.461 12.135 1.00 0.00 H new ATOM 0 HA2 GLY A 101 1.064 4.253 14.379 1.00 0.00 H new ATOM 0 HA3 GLY A 101 1.615 5.904 14.585 1.00 0.00 H new ATOM 1551 N GLU A 102 -1.334 6.172 13.495 1.00 0.00 N ATOM 1552 CA GLU A 102 -2.511 7.017 13.749 1.00 0.00 C ATOM 1553 C GLU A 102 -3.581 6.371 14.657 1.00 0.00 C ATOM 1554 O GLU A 102 -3.459 6.417 15.882 1.00 0.00 O ATOM 1555 CB GLU A 102 -3.081 7.485 12.398 1.00 0.00 C ATOM 1556 CG GLU A 102 -2.128 8.399 11.618 1.00 0.00 C ATOM 1557 CD GLU A 102 -1.811 9.745 12.277 1.00 0.00 C ATOM 1558 OE1 GLU A 102 -2.486 10.155 13.247 1.00 0.00 O ATOM 1559 OE2 GLU A 102 -0.839 10.392 11.843 1.00 0.00 O ATOM 0 H GLU A 102 -1.201 5.971 12.504 1.00 0.00 H new ATOM 0 HA GLU A 102 -2.182 7.879 14.329 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -3.315 6.612 11.789 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -4.019 8.013 12.571 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -1.192 7.865 11.457 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -2.559 8.589 10.635 1.00 0.00 H new ATOM 1566 N THR A 103 -4.674 5.816 14.120 1.00 0.00 N ATOM 1567 CA THR A 103 -5.793 5.308 14.920 1.00 0.00 C ATOM 1568 C THR A 103 -6.552 4.264 14.091 1.00 0.00 C ATOM 1569 O THR A 103 -7.475 4.619 13.351 1.00 0.00 O ATOM 1570 CB THR A 103 -6.711 6.476 15.348 1.00 0.00 C ATOM 1571 OG1 THR A 103 -5.993 7.468 16.062 1.00 0.00 O ATOM 1572 CG2 THR A 103 -7.834 5.999 16.269 1.00 0.00 C ATOM 0 H THR A 103 -4.807 5.707 13.115 1.00 0.00 H new ATOM 0 HA THR A 103 -5.427 4.834 15.831 1.00 0.00 H new ATOM 0 HB THR A 103 -7.119 6.886 14.424 1.00 0.00 H new ATOM 0 HG1 THR A 103 -6.602 8.193 16.317 1.00 0.00 H new ATOM 0 HG21 THR A 103 -8.459 6.847 16.550 1.00 0.00 H new ATOM 0 HG22 THR A 103 -8.440 5.257 15.749 1.00 0.00 H new ATOM 0 HG23 THR A 103 -7.404 5.553 17.166 1.00 0.00 H new ATOM 1580 N PRO A 104 -6.148 2.987 14.131 1.00 0.00 N ATOM 1581 CA PRO A 104 -6.837 1.964 13.372 1.00 0.00 C ATOM 1582 C PRO A 104 -8.257 1.723 13.883 1.00 0.00 C ATOM 1583 O PRO A 104 -8.528 1.854 15.079 1.00 0.00 O ATOM 1584 CB PRO A 104 -5.996 0.706 13.502 1.00 0.00 C ATOM 1585 CG PRO A 104 -4.846 1.001 14.462 1.00 0.00 C ATOM 1586 CD PRO A 104 -5.042 2.450 14.903 1.00 0.00 C ATOM 0 HA PRO A 104 -6.947 2.272 12.332 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -6.602 -0.120 13.876 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -5.611 0.403 12.528 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -4.865 0.325 15.317 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -3.882 0.867 13.972 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -5.257 2.502 15.970 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -4.135 3.030 14.732 1.00 0.00 H new ATOM 1594 N ILE A 105 -9.126 1.294 12.969 1.00 0.00 N ATOM 1595 CA ILE A 105 -10.515 0.942 13.240 1.00 0.00 C ATOM 1596 C ILE A 105 -10.694 -0.578 13.386 1.00 0.00 C ATOM 1597 O ILE A 105 -11.580 -1.002 14.124 1.00 0.00 O ATOM 1598 CB ILE A 105 -11.452 1.531 12.149 1.00 0.00 C ATOM 1599 CG1 ILE A 105 -10.983 1.281 10.695 1.00 0.00 C ATOM 1600 CG2 ILE A 105 -11.751 3.018 12.414 1.00 0.00 C ATOM 1601 CD1 ILE A 105 -10.092 2.374 10.091 1.00 0.00 C ATOM 0 H ILE A 105 -8.872 1.179 11.988 1.00 0.00 H new ATOM 0 HA ILE A 105 -10.796 1.386 14.195 1.00 0.00 H new ATOM 0 HB ILE A 105 -12.385 0.974 12.234 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -10.440 0.336 10.664 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -11.863 1.164 10.063 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -12.409 3.402 11.634 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -12.238 3.124 13.384 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -10.819 3.583 12.412 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -9.821 2.100 9.072 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -10.633 3.320 10.081 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -9.188 2.480 10.691 1.00 0.00 H new ATOM 1613 N ALA A 106 -9.884 -1.396 12.699 1.00 0.00 N ATOM 1614 CA ALA A 106 -10.035 -2.851 12.605 1.00 0.00 C ATOM 1615 C ALA A 106 -8.754 -3.475 12.051 1.00 0.00 C ATOM 1616 O ALA A 106 -7.815 -2.750 11.732 1.00 0.00 O ATOM 1617 CB ALA A 106 -11.224 -3.158 11.679 1.00 0.00 C ATOM 0 H ALA A 106 -9.079 -1.049 12.177 1.00 0.00 H new ATOM 0 HA ALA A 106 -10.219 -3.273 13.593 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -11.352 -4.237 11.597 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -12.131 -2.716 12.092 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -11.033 -2.739 10.691 1.00 0.00 H new ATOM 1623 N TYR A 107 -8.684 -4.798 11.912 1.00 0.00 N ATOM 1624 CA TYR A 107 -7.551 -5.526 11.347 1.00 0.00 C ATOM 1625 C TYR A 107 -8.037 -6.381 10.185 1.00 0.00 C ATOM 1626 O TYR A 107 -9.054 -7.080 10.274 1.00 0.00 O ATOM 1627 CB TYR A 107 -6.862 -6.384 12.417 1.00 0.00 C ATOM 1628 CG TYR A 107 -5.822 -5.612 13.202 1.00 0.00 C ATOM 1629 CD1 TYR A 107 -6.190 -4.862 14.335 1.00 0.00 C ATOM 1630 CD2 TYR A 107 -4.499 -5.558 12.719 1.00 0.00 C ATOM 1631 CE1 TYR A 107 -5.211 -4.111 15.022 1.00 0.00 C ATOM 1632 CE2 TYR A 107 -3.536 -4.763 13.362 1.00 0.00 C ATOM 1633 CZ TYR A 107 -3.879 -4.068 14.541 1.00 0.00 C ATOM 1634 OH TYR A 107 -2.969 -3.261 15.155 1.00 0.00 O ATOM 0 H TYR A 107 -9.444 -5.414 12.201 1.00 0.00 H new ATOM 0 HA TYR A 107 -6.812 -4.814 10.980 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -7.613 -6.775 13.103 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -6.389 -7.242 11.940 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -7.215 -4.861 14.677 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -4.223 -6.133 11.847 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -5.478 -3.568 15.916 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -2.538 -4.684 12.956 1.00 0.00 H new ATOM 0 HH TYR A 107 -2.102 -3.346 14.707 1.00 0.00 H new ATOM 1644 N ARG A 108 -7.296 -6.336 9.081 1.00 0.00 N ATOM 1645 CA ARG A 108 -7.467 -7.220 7.939 1.00 0.00 C ATOM 1646 C ARG A 108 -6.406 -8.314 8.009 1.00 0.00 C ATOM 1647 O ARG A 108 -5.473 -8.213 8.808 1.00 0.00 O ATOM 1648 CB ARG A 108 -7.401 -6.390 6.640 1.00 0.00 C ATOM 1649 CG ARG A 108 -8.797 -6.219 6.020 1.00 0.00 C ATOM 1650 CD ARG A 108 -9.266 -7.559 5.469 1.00 0.00 C ATOM 1651 NE ARG A 108 -10.395 -7.451 4.546 1.00 0.00 N ATOM 1652 CZ ARG A 108 -11.639 -7.033 4.783 1.00 0.00 C ATOM 1653 NH1 ARG A 108 -12.048 -6.698 6.009 1.00 0.00 N ATOM 1654 NH2 ARG A 108 -12.493 -6.986 3.768 1.00 0.00 N ATOM 0 H ARG A 108 -6.539 -5.663 8.956 1.00 0.00 H new ATOM 0 HA ARG A 108 -8.442 -7.708 7.951 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -6.972 -5.411 6.852 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -6.740 -6.880 5.925 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -9.499 -5.854 6.770 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -8.766 -5.475 5.224 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -8.434 -8.043 4.957 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -9.548 -8.205 6.300 1.00 0.00 H new ATOM 0 HE ARG A 108 -10.204 -7.736 3.585 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -11.402 -6.758 6.796 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -13.006 -6.382 6.158 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -12.192 -7.266 2.835 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -13.451 -6.670 3.921 1.00 0.00 H new ATOM 1668 N ASN A 109 -6.555 -9.346 7.176 1.00 0.00 N ATOM 1669 CA ASN A 109 -5.587 -10.420 6.995 1.00 0.00 C ATOM 1670 C ASN A 109 -5.567 -10.799 5.515 1.00 0.00 C ATOM 1671 O ASN A 109 -6.625 -11.011 4.921 1.00 0.00 O ATOM 1672 CB ASN A 109 -5.995 -11.630 7.826 1.00 0.00 C ATOM 1673 CG ASN A 109 -5.194 -12.851 7.406 1.00 0.00 C ATOM 1674 OD1 ASN A 109 -4.025 -12.987 7.745 1.00 0.00 O ATOM 1675 ND2 ASN A 109 -5.781 -13.729 6.607 1.00 0.00 N ATOM 0 H ASN A 109 -7.383 -9.457 6.591 1.00 0.00 H new ATOM 0 HA ASN A 109 -4.599 -10.092 7.317 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -5.831 -11.425 8.884 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -7.060 -11.824 7.700 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -5.259 -14.535 6.263 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -6.756 -13.599 6.335 1.00 0.00 H new ATOM 1682 N VAL A 110 -4.389 -10.950 4.922 1.00 0.00 N ATOM 1683 CA VAL A 110 -4.204 -11.291 3.522 1.00 0.00 C ATOM 1684 C VAL A 110 -3.079 -12.311 3.431 1.00 0.00 C ATOM 1685 O VAL A 110 -2.031 -12.104 4.028 1.00 0.00 O ATOM 1686 CB VAL A 110 -3.915 -10.015 2.706 1.00 0.00 C ATOM 1687 CG1 VAL A 110 -5.189 -9.181 2.533 1.00 0.00 C ATOM 1688 CG2 VAL A 110 -2.806 -9.104 3.229 1.00 0.00 C ATOM 0 H VAL A 110 -3.508 -10.834 5.422 1.00 0.00 H new ATOM 0 HA VAL A 110 -5.106 -11.733 3.099 1.00 0.00 H new ATOM 0 HB VAL A 110 -3.549 -10.407 1.757 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -4.962 -8.286 1.954 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -5.941 -9.770 2.009 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -5.571 -8.893 3.512 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -2.701 -8.243 2.569 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -3.059 -8.763 4.233 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -1.866 -9.655 3.259 1.00 0.00 H new ATOM 1698 N LEU A 111 -3.263 -13.426 2.720 1.00 0.00 N ATOM 1699 CA LEU A 111 -2.145 -14.355 2.526 1.00 0.00 C ATOM 1700 C LEU A 111 -1.251 -13.800 1.407 1.00 0.00 C ATOM 1701 O LEU A 111 -1.726 -13.028 0.568 1.00 0.00 O ATOM 1702 CB LEU A 111 -2.661 -15.749 2.088 1.00 0.00 C ATOM 1703 CG LEU A 111 -3.031 -16.811 3.130 1.00 0.00 C ATOM 1704 CD1 LEU A 111 -1.841 -17.352 3.907 1.00 0.00 C ATOM 1705 CD2 LEU A 111 -4.053 -16.284 4.124 1.00 0.00 C ATOM 0 H LEU A 111 -4.142 -13.702 2.283 1.00 0.00 H new ATOM 0 HA LEU A 111 -1.598 -14.457 3.463 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -3.544 -15.584 1.471 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -1.898 -16.185 1.443 1.00 0.00 H new ATOM 0 HG LEU A 111 -3.452 -17.631 2.548 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -2.183 -18.098 4.624 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -1.134 -17.811 3.216 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -1.352 -16.536 4.438 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -4.292 -17.063 4.848 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -3.642 -15.419 4.644 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -4.959 -15.991 3.594 1.00 0.00 H new ATOM 1717 N LEU A 112 0.006 -14.248 1.342 1.00 0.00 N ATOM 1718 CA LEU A 112 1.047 -13.843 0.399 1.00 0.00 C ATOM 1719 C LEU A 112 1.753 -15.093 -0.125 1.00 0.00 C ATOM 1720 O LEU A 112 2.030 -15.993 0.670 1.00 0.00 O ATOM 1721 CB LEU A 112 2.107 -12.984 1.128 1.00 0.00 C ATOM 1722 CG LEU A 112 2.699 -11.785 0.347 1.00 0.00 C ATOM 1723 CD1 LEU A 112 4.187 -11.647 0.699 1.00 0.00 C ATOM 1724 CD2 LEU A 112 2.591 -11.827 -1.187 1.00 0.00 C ATOM 0 H LEU A 112 0.345 -14.954 1.995 1.00 0.00 H new ATOM 0 HA LEU A 112 0.590 -13.277 -0.413 1.00 0.00 H new ATOM 0 HB2 LEU A 112 1.661 -12.603 2.046 1.00 0.00 H new ATOM 0 HB3 LEU A 112 2.929 -13.637 1.420 1.00 0.00 H new ATOM 0 HG LEU A 112 2.086 -10.940 0.660 1.00 0.00 H new ATOM 0 HD11 LEU A 112 4.613 -10.805 0.154 1.00 0.00 H new ATOM 0 HD12 LEU A 112 4.293 -11.477 1.770 1.00 0.00 H new ATOM 0 HD13 LEU A 112 4.712 -12.561 0.423 1.00 0.00 H new ATOM 0 HD21 LEU A 112 3.043 -10.929 -1.608 1.00 0.00 H new ATOM 0 HD22 LEU A 112 3.112 -12.707 -1.564 1.00 0.00 H new ATOM 0 HD23 LEU A 112 1.541 -11.874 -1.477 1.00 0.00 H new ATOM 1736 N ARG A 113 2.090 -15.160 -1.419 1.00 0.00 N ATOM 1737 CA ARG A 113 2.832 -16.279 -1.998 1.00 0.00 C ATOM 1738 C ARG A 113 4.146 -16.542 -1.262 1.00 0.00 C ATOM 1739 O ARG A 113 5.025 -15.676 -1.220 1.00 0.00 O ATOM 1740 CB ARG A 113 3.046 -16.102 -3.498 1.00 0.00 C ATOM 1741 CG ARG A 113 3.889 -14.864 -3.833 1.00 0.00 C ATOM 1742 CD ARG A 113 3.179 -14.031 -4.889 1.00 0.00 C ATOM 1743 NE ARG A 113 3.345 -14.583 -6.242 1.00 0.00 N ATOM 1744 CZ ARG A 113 4.193 -14.160 -7.190 1.00 0.00 C ATOM 1745 NH1 ARG A 113 4.988 -13.111 -7.001 1.00 0.00 N ATOM 1746 NH2 ARG A 113 4.253 -14.804 -8.349 1.00 0.00 N ATOM 0 H ARG A 113 1.853 -14.434 -2.095 1.00 0.00 H new ATOM 0 HA ARG A 113 2.215 -17.168 -1.865 1.00 0.00 H new ATOM 0 HB2 ARG A 113 3.536 -16.990 -3.898 1.00 0.00 H new ATOM 0 HB3 ARG A 113 2.078 -16.022 -3.992 1.00 0.00 H new ATOM 0 HG2 ARG A 113 4.051 -14.268 -2.935 1.00 0.00 H new ATOM 0 HG3 ARG A 113 4.871 -15.168 -4.195 1.00 0.00 H new ATOM 0 HD2 ARG A 113 2.117 -13.975 -4.650 1.00 0.00 H new ATOM 0 HD3 ARG A 113 3.566 -13.012 -4.865 1.00 0.00 H new ATOM 0 HE ARG A 113 2.750 -15.374 -6.486 1.00 0.00 H new ATOM 0 HH11 ARG A 113 4.963 -12.605 -6.116 1.00 0.00 H new ATOM 0 HH12 ARG A 113 5.623 -12.813 -7.741 1.00 0.00 H new ATOM 0 HH21 ARG A 113 3.656 -15.615 -8.513 1.00 0.00 H new ATOM 0 HH22 ARG A 113 4.896 -14.488 -9.075 1.00 0.00 H new