USER MOD reduce.3.24.130724 H: found=0, std=0, add=971, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 969 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 80 CYS SG : rot -130:sc=-0.000835 USER MOD Set 1.2: A 103 TYR OH : rot 180:sc= 0.179 USER MOD Set 2.1: A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 55 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 23 TYR OH : rot 100:sc= -0.347 USER MOD Set 3.2: A 46 HIS : no HD1:sc= -1.63 K(o=-3,f=-2.3) USER MOD Set 3.3: A 47 ASN : amide:sc= -1.07 K(o=-3,f=-2.4) USER MOD Single : A 1 GLY N :NH3+ -120:sc= 0.0707 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc=0.000907 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 37:sc= 0.964 USER MOD Single : A 9 LYS NZ :NH3+ 158:sc= -0.0389 (180deg=-0.302) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot 55:sc= 1.26 USER MOD Single : A 19 LYS NZ :NH3+ -148:sc= -0.318 (180deg=-1.35!) USER MOD Single : A 20 THR OG1 : rot 98:sc= 1.11 USER MOD Single : A 25 HIS : no HD1:sc= -0.108 X(o=-0.11,f=-0.34) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 ASN : amide:sc= -0.14 X(o=-0.14,f=-0.014) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -97:sc= 0.198 USER MOD Single : A 36 SER OG : rot -177:sc= -3.17 USER MOD Single : A 42 CYS SG : rot 39:sc= -2.92 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.0333 K(o=-0.033,f=-1.2) USER MOD Single : A 62 ASN : amide:sc= -0.19 X(o=-0.19,f=-0.094) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 ASN : amide:sc= -2.66! X(o=-2.7!,f=-2.5) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot -143:sc= 1.07 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.00295 USER MOD Single : A 77 HIS : no HD1:sc= -9.54! C(o=-9.5!,f=-10!) USER MOD Single : A 82 GLN : amide:sc= -4.71! C(o=-4.7!,f=-6.6!) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.0238 USER MOD Single : A 89 MET CE :methyl 169:sc= -1.77 (180deg=-1.99) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 CYS SG : rot 180:sc= 0 USER MOD Single : A 101 TYR OH : rot 30:sc= 0 USER MOD Single : A 102 THR OG1 : rot 73:sc= 0.75 USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 CYS SG : rot -148:sc= -4.22! USER MOD Single : A 113 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 114 LYS NZ :NH3+ -151:sc= -1.34 (180deg=-3.17!) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 LYS NZ :NH3+ 147:sc= -1.33 (180deg=-2.87!) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 40:sc= 0.269 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.811 -26.775 -8.313 1.00 0.00 N ATOM 2 CA GLY A 1 -15.991 -26.338 -6.941 1.00 0.00 C ATOM 3 C GLY A 1 -17.154 -25.377 -6.786 1.00 0.00 C ATOM 4 O GLY A 1 -17.935 -25.183 -7.717 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.909 -27.809 -8.364 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.531 -26.329 -8.917 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.864 -26.500 -8.643 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.155 -27.208 -6.305 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -15.077 -25.856 -6.593 1.00 0.00 H new ATOM 8 N SER A 2 -17.269 -24.775 -5.607 1.00 0.00 N ATOM 9 CA SER A 2 -18.348 -23.834 -5.331 1.00 0.00 C ATOM 10 C SER A 2 -17.911 -22.403 -5.631 1.00 0.00 C ATOM 11 O SER A 2 -16.742 -22.053 -5.469 1.00 0.00 O ATOM 12 CB SER A 2 -18.794 -23.948 -3.872 1.00 0.00 C ATOM 13 OG SER A 2 -17.692 -23.818 -2.991 1.00 0.00 O ATOM 0 H SER A 2 -16.628 -24.922 -4.827 1.00 0.00 H new ATOM 0 HA SER A 2 -19.188 -24.083 -5.980 1.00 0.00 H new ATOM 0 HB2 SER A 2 -19.532 -23.177 -3.653 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.281 -24.910 -3.711 1.00 0.00 H new ATOM 0 HG SER A 2 -18.003 -23.893 -2.065 1.00 0.00 H new ATOM 19 N SER A 3 -18.858 -21.581 -6.069 1.00 0.00 N ATOM 20 CA SER A 3 -18.571 -20.189 -6.395 1.00 0.00 C ATOM 21 C SER A 3 -18.910 -19.275 -5.221 1.00 0.00 C ATOM 22 O SER A 3 -20.020 -18.752 -5.127 1.00 0.00 O ATOM 23 CB SER A 3 -19.360 -19.760 -7.634 1.00 0.00 C ATOM 24 OG SER A 3 -18.979 -18.462 -8.057 1.00 0.00 O ATOM 0 H SER A 3 -19.831 -21.854 -6.207 1.00 0.00 H new ATOM 0 HA SER A 3 -17.505 -20.103 -6.604 1.00 0.00 H new ATOM 0 HB2 SER A 3 -19.192 -20.473 -8.441 1.00 0.00 H new ATOM 0 HB3 SER A 3 -20.427 -19.775 -7.413 1.00 0.00 H new ATOM 0 HG SER A 3 -19.496 -18.212 -8.851 1.00 0.00 H new ATOM 30 N GLY A 4 -17.944 -19.087 -4.327 1.00 0.00 N ATOM 31 CA GLY A 4 -18.158 -18.236 -3.171 1.00 0.00 C ATOM 32 C GLY A 4 -17.245 -17.026 -3.164 1.00 0.00 C ATOM 33 O GLY A 4 -16.424 -16.865 -2.262 1.00 0.00 O ATOM 0 H GLY A 4 -17.017 -19.509 -4.383 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -19.196 -17.904 -3.156 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -17.995 -18.815 -2.262 1.00 0.00 H new ATOM 37 N SER A 5 -17.388 -16.174 -4.174 1.00 0.00 N ATOM 38 CA SER A 5 -16.565 -14.975 -4.284 1.00 0.00 C ATOM 39 C SER A 5 -16.812 -14.037 -3.106 1.00 0.00 C ATOM 40 O SER A 5 -17.831 -13.349 -3.049 1.00 0.00 O ATOM 41 CB SER A 5 -16.858 -14.249 -5.598 1.00 0.00 C ATOM 42 OG SER A 5 -15.998 -13.135 -5.768 1.00 0.00 O ATOM 0 H SER A 5 -18.065 -16.291 -4.927 1.00 0.00 H new ATOM 0 HA SER A 5 -15.519 -15.280 -4.271 1.00 0.00 H new ATOM 0 HB2 SER A 5 -16.735 -14.938 -6.433 1.00 0.00 H new ATOM 0 HB3 SER A 5 -17.896 -13.916 -5.610 1.00 0.00 H new ATOM 0 HG SER A 5 -16.204 -12.689 -6.616 1.00 0.00 H new ATOM 48 N SER A 6 -15.871 -14.015 -2.167 1.00 0.00 N ATOM 49 CA SER A 6 -15.987 -13.166 -0.988 1.00 0.00 C ATOM 50 C SER A 6 -14.641 -13.029 -0.283 1.00 0.00 C ATOM 51 O SER A 6 -13.806 -13.931 -0.334 1.00 0.00 O ATOM 52 CB SER A 6 -17.026 -13.737 -0.022 1.00 0.00 C ATOM 53 OG SER A 6 -18.325 -13.258 -0.327 1.00 0.00 O ATOM 0 H SER A 6 -15.020 -14.576 -2.200 1.00 0.00 H new ATOM 0 HA SER A 6 -16.310 -12.177 -1.313 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.015 -14.826 -0.074 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.765 -13.464 1.000 1.00 0.00 H new ATOM 0 HG SER A 6 -18.428 -13.188 -1.299 1.00 0.00 H new ATOM 59 N GLY A 7 -14.438 -11.892 0.377 1.00 0.00 N ATOM 60 CA GLY A 7 -13.193 -11.657 1.084 1.00 0.00 C ATOM 61 C GLY A 7 -12.525 -10.362 0.666 1.00 0.00 C ATOM 62 O GLY A 7 -12.391 -10.081 -0.525 1.00 0.00 O ATOM 0 H GLY A 7 -15.114 -11.130 0.434 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.387 -11.633 2.156 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.512 -12.489 0.902 1.00 0.00 H new ATOM 66 N ILE A 8 -12.107 -9.570 1.648 1.00 0.00 N ATOM 67 CA ILE A 8 -11.451 -8.297 1.375 1.00 0.00 C ATOM 68 C ILE A 8 -9.937 -8.463 1.310 1.00 0.00 C ATOM 69 O ILE A 8 -9.257 -7.769 0.553 1.00 0.00 O ATOM 70 CB ILE A 8 -11.796 -7.245 2.446 1.00 0.00 C ATOM 71 CG1 ILE A 8 -13.293 -7.275 2.758 1.00 0.00 C ATOM 72 CG2 ILE A 8 -11.373 -5.859 1.983 1.00 0.00 C ATOM 73 CD1 ILE A 8 -13.664 -8.253 3.851 1.00 0.00 C ATOM 0 H ILE A 8 -12.211 -9.787 2.639 1.00 0.00 H new ATOM 0 HA ILE A 8 -11.818 -7.953 0.408 1.00 0.00 H new ATOM 0 HB ILE A 8 -11.249 -7.484 3.358 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -13.615 -6.276 3.051 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -13.840 -7.532 1.851 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -11.624 -5.127 2.751 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -10.297 -5.847 1.807 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -11.895 -5.609 1.059 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -14.741 -8.220 4.019 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -13.374 -9.260 3.552 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -13.145 -7.984 4.771 1.00 0.00 H new ATOM 85 N LYS A 9 -9.413 -9.387 2.107 1.00 0.00 N ATOM 86 CA LYS A 9 -7.979 -9.648 2.139 1.00 0.00 C ATOM 87 C LYS A 9 -7.476 -10.090 0.769 1.00 0.00 C ATOM 88 O LYS A 9 -6.315 -9.871 0.424 1.00 0.00 O ATOM 89 CB LYS A 9 -7.657 -10.720 3.182 1.00 0.00 C ATOM 90 CG LYS A 9 -6.171 -10.886 3.446 1.00 0.00 C ATOM 91 CD LYS A 9 -5.845 -12.287 3.937 1.00 0.00 C ATOM 92 CE LYS A 9 -5.621 -13.246 2.778 1.00 0.00 C ATOM 93 NZ LYS A 9 -4.364 -12.941 2.041 1.00 0.00 N ATOM 0 H LYS A 9 -9.961 -9.969 2.741 1.00 0.00 H new ATOM 0 HA LYS A 9 -7.473 -8.722 2.411 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -8.157 -10.467 4.117 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.067 -11.674 2.849 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -5.613 -10.681 2.532 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -5.848 -10.155 4.188 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -4.953 -12.256 4.563 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -6.660 -12.653 4.562 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -5.582 -14.268 3.155 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -6.467 -13.191 2.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -4.049 -13.788 1.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -4.536 -12.169 1.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -3.627 -12.653 2.716 1.00 0.00 H new ATOM 107 N GLN A 10 -8.357 -10.711 -0.008 1.00 0.00 N ATOM 108 CA GLN A 10 -8.001 -11.182 -1.341 1.00 0.00 C ATOM 109 C GLN A 10 -8.143 -10.065 -2.370 1.00 0.00 C ATOM 110 O GLN A 10 -7.192 -9.737 -3.079 1.00 0.00 O ATOM 111 CB GLN A 10 -8.880 -12.370 -1.737 1.00 0.00 C ATOM 112 CG GLN A 10 -8.277 -13.719 -1.379 1.00 0.00 C ATOM 113 CD GLN A 10 -7.289 -14.210 -2.419 1.00 0.00 C ATOM 114 OE1 GLN A 10 -7.666 -14.868 -3.389 1.00 0.00 O ATOM 115 NE2 GLN A 10 -6.014 -13.893 -2.221 1.00 0.00 N ATOM 0 H GLN A 10 -9.322 -10.900 0.262 1.00 0.00 H new ATOM 0 HA GLN A 10 -6.959 -11.501 -1.319 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -9.849 -12.273 -1.248 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -9.060 -12.336 -2.811 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -7.776 -13.644 -0.414 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -9.076 -14.452 -1.268 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -5.746 -13.346 -1.403 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -5.304 -14.197 -2.887 1.00 0.00 H new ATOM 124 N MET A 11 -9.336 -9.485 -2.445 1.00 0.00 N ATOM 125 CA MET A 11 -9.602 -8.403 -3.387 1.00 0.00 C ATOM 126 C MET A 11 -8.495 -7.355 -3.337 1.00 0.00 C ATOM 127 O MET A 11 -8.107 -6.798 -4.364 1.00 0.00 O ATOM 128 CB MET A 11 -10.952 -7.752 -3.081 1.00 0.00 C ATOM 129 CG MET A 11 -10.864 -6.616 -2.075 1.00 0.00 C ATOM 130 SD MET A 11 -10.411 -5.046 -2.837 1.00 0.00 S ATOM 131 CE MET A 11 -11.946 -4.137 -2.679 1.00 0.00 C ATOM 0 H MET A 11 -10.134 -9.745 -1.865 1.00 0.00 H new ATOM 0 HA MET A 11 -9.631 -8.827 -4.391 1.00 0.00 H new ATOM 0 HB2 MET A 11 -11.382 -7.373 -4.008 1.00 0.00 H new ATOM 0 HB3 MET A 11 -11.635 -8.512 -2.700 1.00 0.00 H new ATOM 0 HG2 MET A 11 -11.824 -6.507 -1.571 1.00 0.00 H new ATOM 0 HG3 MET A 11 -10.130 -6.869 -1.310 1.00 0.00 H new ATOM 0 HE1 MET A 11 -11.825 -3.142 -3.107 1.00 0.00 H new ATOM 0 HE2 MET A 11 -12.738 -4.666 -3.209 1.00 0.00 H new ATOM 0 HE3 MET A 11 -12.210 -4.049 -1.625 1.00 0.00 H new ATOM 141 N LEU A 12 -7.991 -7.091 -2.137 1.00 0.00 N ATOM 142 CA LEU A 12 -6.928 -6.108 -1.953 1.00 0.00 C ATOM 143 C LEU A 12 -5.639 -6.568 -2.626 1.00 0.00 C ATOM 144 O LEU A 12 -5.008 -5.812 -3.366 1.00 0.00 O ATOM 145 CB LEU A 12 -6.681 -5.868 -0.462 1.00 0.00 C ATOM 146 CG LEU A 12 -7.800 -5.156 0.298 1.00 0.00 C ATOM 147 CD1 LEU A 12 -7.667 -5.397 1.793 1.00 0.00 C ATOM 148 CD2 LEU A 12 -7.788 -3.666 -0.008 1.00 0.00 C ATOM 0 H LEU A 12 -8.301 -7.543 -1.277 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.245 -5.174 -2.417 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -6.501 -6.831 0.015 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.767 -5.283 -0.355 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.755 -5.566 -0.031 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -8.472 -4.882 2.318 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -7.727 -6.466 1.996 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -6.706 -5.015 2.139 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -8.591 -3.175 0.542 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -6.830 -3.241 0.292 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.934 -3.513 -1.077 1.00 0.00 H new ATOM 160 N LEU A 13 -5.254 -7.813 -2.367 1.00 0.00 N ATOM 161 CA LEU A 13 -4.040 -8.375 -2.950 1.00 0.00 C ATOM 162 C LEU A 13 -4.083 -8.301 -4.473 1.00 0.00 C ATOM 163 O LEU A 13 -3.081 -7.992 -5.117 1.00 0.00 O ATOM 164 CB LEU A 13 -3.862 -9.827 -2.503 1.00 0.00 C ATOM 165 CG LEU A 13 -2.422 -10.336 -2.434 1.00 0.00 C ATOM 166 CD1 LEU A 13 -1.651 -9.611 -1.342 1.00 0.00 C ATOM 167 CD2 LEU A 13 -2.398 -11.839 -2.198 1.00 0.00 C ATOM 0 H LEU A 13 -5.764 -8.452 -1.758 1.00 0.00 H new ATOM 0 HA LEU A 13 -3.192 -7.787 -2.600 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.314 -9.941 -1.518 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.420 -10.467 -3.186 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.939 -10.131 -3.389 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.628 -9.987 -1.308 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.638 -8.542 -1.554 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.133 -9.784 -0.380 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.365 -12.184 -2.152 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.899 -12.068 -1.257 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.913 -12.344 -3.016 1.00 0.00 H new ATOM 179 N ASP A 14 -5.250 -8.585 -5.041 1.00 0.00 N ATOM 180 CA ASP A 14 -5.424 -8.548 -6.488 1.00 0.00 C ATOM 181 C ASP A 14 -5.399 -7.112 -7.002 1.00 0.00 C ATOM 182 O ASP A 14 -4.915 -6.844 -8.101 1.00 0.00 O ATOM 183 CB ASP A 14 -6.740 -9.221 -6.882 1.00 0.00 C ATOM 184 CG ASP A 14 -6.904 -9.337 -8.385 1.00 0.00 C ATOM 185 OD1 ASP A 14 -6.846 -8.295 -9.071 1.00 0.00 O ATOM 186 OD2 ASP A 14 -7.089 -10.470 -8.875 1.00 0.00 O ATOM 0 H ASP A 14 -6.089 -8.843 -4.522 1.00 0.00 H new ATOM 0 HA ASP A 14 -4.596 -9.092 -6.943 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -6.784 -10.215 -6.437 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -7.573 -8.651 -6.471 1.00 0.00 H new ATOM 191 N TRP A 15 -5.925 -6.193 -6.200 1.00 0.00 N ATOM 192 CA TRP A 15 -5.964 -4.784 -6.574 1.00 0.00 C ATOM 193 C TRP A 15 -4.564 -4.180 -6.565 1.00 0.00 C ATOM 194 O TRP A 15 -4.157 -3.520 -7.522 1.00 0.00 O ATOM 195 CB TRP A 15 -6.875 -4.007 -5.621 1.00 0.00 C ATOM 196 CG TRP A 15 -6.763 -2.520 -5.774 1.00 0.00 C ATOM 197 CD1 TRP A 15 -7.384 -1.744 -6.711 1.00 0.00 C ATOM 198 CD2 TRP A 15 -5.984 -1.632 -4.967 1.00 0.00 C ATOM 199 NE1 TRP A 15 -7.036 -0.426 -6.535 1.00 0.00 N ATOM 200 CE2 TRP A 15 -6.179 -0.331 -5.470 1.00 0.00 C ATOM 201 CE3 TRP A 15 -5.141 -1.808 -3.866 1.00 0.00 C ATOM 202 CZ2 TRP A 15 -5.561 0.784 -4.911 1.00 0.00 C ATOM 203 CZ3 TRP A 15 -4.529 -0.700 -3.312 1.00 0.00 C ATOM 204 CH2 TRP A 15 -4.742 0.583 -3.834 1.00 0.00 C ATOM 0 H TRP A 15 -6.330 -6.398 -5.287 1.00 0.00 H new ATOM 0 HA TRP A 15 -6.364 -4.713 -7.586 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -7.909 -4.306 -5.793 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -6.631 -4.279 -4.594 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -8.050 -2.112 -7.477 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -7.363 0.355 -7.105 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -4.971 -2.792 -3.456 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -5.722 1.773 -5.314 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -3.875 -0.825 -2.462 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -4.250 1.429 -3.377 1.00 0.00 H new ATOM 215 N CYS A 16 -3.833 -4.408 -5.480 1.00 0.00 N ATOM 216 CA CYS A 16 -2.478 -3.885 -5.347 1.00 0.00 C ATOM 217 C CYS A 16 -1.678 -4.117 -6.624 1.00 0.00 C ATOM 218 O CYS A 16 -1.068 -3.193 -7.163 1.00 0.00 O ATOM 219 CB CYS A 16 -1.770 -4.540 -4.160 1.00 0.00 C ATOM 220 SG CYS A 16 -2.623 -4.326 -2.581 1.00 0.00 S ATOM 0 H CYS A 16 -4.156 -4.952 -4.679 1.00 0.00 H new ATOM 0 HA CYS A 16 -2.545 -2.811 -5.172 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -1.660 -5.606 -4.360 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -0.765 -4.126 -4.077 1.00 0.00 H new ATOM 0 HG CYS A 16 -3.843 -4.763 -2.684 1.00 0.00 H new ATOM 226 N ARG A 17 -1.683 -5.357 -7.102 1.00 0.00 N ATOM 227 CA ARG A 17 -0.955 -5.712 -8.314 1.00 0.00 C ATOM 228 C ARG A 17 -1.399 -4.844 -9.488 1.00 0.00 C ATOM 229 O ARG A 17 -0.594 -4.126 -10.081 1.00 0.00 O ATOM 230 CB ARG A 17 -1.168 -7.189 -8.649 1.00 0.00 C ATOM 231 CG ARG A 17 -0.571 -8.139 -7.624 1.00 0.00 C ATOM 232 CD ARG A 17 -1.164 -9.534 -7.744 1.00 0.00 C ATOM 233 NE ARG A 17 -0.627 -10.260 -8.892 1.00 0.00 N ATOM 234 CZ ARG A 17 -1.140 -11.397 -9.348 1.00 0.00 C ATOM 235 NH1 ARG A 17 -2.198 -11.935 -8.756 1.00 0.00 N ATOM 236 NH2 ARG A 17 -0.595 -11.998 -10.398 1.00 0.00 N ATOM 0 H ARG A 17 -2.183 -6.133 -6.668 1.00 0.00 H new ATOM 0 HA ARG A 17 0.106 -5.537 -8.135 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -2.237 -7.383 -8.732 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -0.729 -7.398 -9.625 1.00 0.00 H new ATOM 0 HG2 ARG A 17 0.509 -8.189 -7.759 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -0.749 -7.752 -6.621 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -0.959 -10.095 -6.832 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -2.248 -9.461 -7.836 1.00 0.00 H new ATOM 0 HE ARG A 17 0.187 -9.873 -9.370 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -2.619 -11.475 -7.949 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -2.590 -12.808 -9.108 1.00 0.00 H new ATOM 0 HH21 ARG A 17 0.219 -11.587 -10.856 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -0.990 -12.871 -10.748 1.00 0.00 H new ATOM 250 N ALA A 18 -2.684 -4.916 -9.818 1.00 0.00 N ATOM 251 CA ALA A 18 -3.235 -4.137 -10.920 1.00 0.00 C ATOM 252 C ALA A 18 -2.589 -2.757 -10.993 1.00 0.00 C ATOM 253 O ALA A 18 -2.038 -2.371 -12.024 1.00 0.00 O ATOM 254 CB ALA A 18 -4.744 -4.008 -10.773 1.00 0.00 C ATOM 0 H ALA A 18 -3.363 -5.506 -9.338 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.015 -4.662 -11.849 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -5.142 -3.424 -11.603 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -5.196 -5.000 -10.778 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -4.977 -3.508 -9.833 1.00 0.00 H new ATOM 260 N LYS A 19 -2.660 -2.017 -9.892 1.00 0.00 N ATOM 261 CA LYS A 19 -2.083 -0.679 -9.830 1.00 0.00 C ATOM 262 C LYS A 19 -0.559 -0.743 -9.864 1.00 0.00 C ATOM 263 O LYS A 19 0.093 0.078 -10.509 1.00 0.00 O ATOM 264 CB LYS A 19 -2.545 0.040 -8.561 1.00 0.00 C ATOM 265 CG LYS A 19 -4.056 0.119 -8.423 1.00 0.00 C ATOM 266 CD LYS A 19 -4.668 1.006 -9.495 1.00 0.00 C ATOM 267 CE LYS A 19 -6.033 0.494 -9.928 1.00 0.00 C ATOM 268 NZ LYS A 19 -5.980 -0.929 -10.364 1.00 0.00 N ATOM 0 H LYS A 19 -3.112 -2.321 -9.030 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.426 -0.121 -10.701 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -2.136 -0.475 -7.692 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.135 1.050 -8.556 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.481 -0.882 -8.491 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.313 0.508 -7.438 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.763 2.024 -9.116 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.003 1.048 -10.358 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.737 0.595 -9.102 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.409 1.110 -10.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -6.687 -1.090 -11.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -5.032 -1.144 -10.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.185 -1.548 -9.554 1.00 0.00 H new ATOM 282 N THR A 20 0.004 -1.725 -9.166 1.00 0.00 N ATOM 283 CA THR A 20 1.450 -1.896 -9.116 1.00 0.00 C ATOM 284 C THR A 20 1.934 -2.809 -10.237 1.00 0.00 C ATOM 285 O THR A 20 2.865 -3.594 -10.052 1.00 0.00 O ATOM 286 CB THR A 20 1.901 -2.478 -7.764 1.00 0.00 C ATOM 287 OG1 THR A 20 1.036 -2.018 -6.719 1.00 0.00 O ATOM 288 CG2 THR A 20 3.336 -2.078 -7.454 1.00 0.00 C ATOM 0 H THR A 20 -0.521 -2.414 -8.627 1.00 0.00 H new ATOM 0 HA THR A 20 1.890 -0.907 -9.241 1.00 0.00 H new ATOM 0 HB THR A 20 1.849 -3.565 -7.826 1.00 0.00 H new ATOM 0 HG1 THR A 20 0.365 -2.705 -6.524 1.00 0.00 H new ATOM 0 HG21 THR A 20 3.632 -2.501 -6.494 1.00 0.00 H new ATOM 0 HG22 THR A 20 3.996 -2.455 -8.236 1.00 0.00 H new ATOM 0 HG23 THR A 20 3.409 -0.991 -7.410 1.00 0.00 H new ATOM 296 N ARG A 21 1.298 -2.701 -11.398 1.00 0.00 N ATOM 297 CA ARG A 21 1.664 -3.518 -12.549 1.00 0.00 C ATOM 298 C ARG A 21 2.863 -2.922 -13.280 1.00 0.00 C ATOM 299 O ARG A 21 3.065 -1.708 -13.275 1.00 0.00 O ATOM 300 CB ARG A 21 0.480 -3.646 -13.509 1.00 0.00 C ATOM 301 CG ARG A 21 -0.483 -4.763 -13.142 1.00 0.00 C ATOM 302 CD ARG A 21 -1.494 -5.013 -14.250 1.00 0.00 C ATOM 303 NE ARG A 21 -0.996 -5.963 -15.241 1.00 0.00 N ATOM 304 CZ ARG A 21 -1.666 -6.301 -16.337 1.00 0.00 C ATOM 305 NH1 ARG A 21 -2.856 -5.769 -16.582 1.00 0.00 N ATOM 306 NH2 ARG A 21 -1.147 -7.173 -17.192 1.00 0.00 N ATOM 0 H ARG A 21 0.526 -2.056 -11.567 1.00 0.00 H new ATOM 0 HA ARG A 21 1.937 -4.509 -12.186 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -0.064 -2.701 -13.530 1.00 0.00 H new ATOM 0 HB3 ARG A 21 0.857 -3.819 -14.517 1.00 0.00 H new ATOM 0 HG2 ARG A 21 0.077 -5.677 -12.945 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -1.007 -4.506 -12.221 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -2.420 -5.392 -13.817 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -1.735 -4.070 -14.741 1.00 0.00 H new ATOM 0 HE ARG A 21 -0.084 -6.390 -15.083 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -3.259 -5.098 -15.928 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -3.368 -6.031 -17.425 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -0.232 -7.585 -17.008 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -1.663 -7.431 -18.033 1.00 0.00 H new ATOM 320 N GLY A 22 3.657 -3.784 -13.908 1.00 0.00 N ATOM 321 CA GLY A 22 4.826 -3.324 -14.634 1.00 0.00 C ATOM 322 C GLY A 22 6.027 -3.122 -13.731 1.00 0.00 C ATOM 323 O GLY A 22 7.121 -3.605 -14.024 1.00 0.00 O ATOM 0 H GLY A 22 3.511 -4.793 -13.927 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.076 -4.048 -15.410 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.592 -2.386 -15.137 1.00 0.00 H new ATOM 327 N TYR A 23 5.824 -2.405 -12.631 1.00 0.00 N ATOM 328 CA TYR A 23 6.900 -2.136 -11.685 1.00 0.00 C ATOM 329 C TYR A 23 7.847 -3.328 -11.583 1.00 0.00 C ATOM 330 O TYR A 23 7.432 -4.435 -11.242 1.00 0.00 O ATOM 331 CB TYR A 23 6.324 -1.808 -10.306 1.00 0.00 C ATOM 332 CG TYR A 23 5.667 -0.448 -10.231 1.00 0.00 C ATOM 333 CD1 TYR A 23 6.430 0.709 -10.138 1.00 0.00 C ATOM 334 CD2 TYR A 23 4.284 -0.321 -10.255 1.00 0.00 C ATOM 335 CE1 TYR A 23 5.834 1.954 -10.069 1.00 0.00 C ATOM 336 CE2 TYR A 23 3.679 0.919 -10.188 1.00 0.00 C ATOM 337 CZ TYR A 23 4.458 2.053 -10.094 1.00 0.00 C ATOM 338 OH TYR A 23 3.861 3.291 -10.027 1.00 0.00 O ATOM 0 H TYR A 23 4.924 -2.000 -12.373 1.00 0.00 H new ATOM 0 HA TYR A 23 7.464 -1.278 -12.050 1.00 0.00 H new ATOM 0 HB2 TYR A 23 5.593 -2.570 -10.036 1.00 0.00 H new ATOM 0 HB3 TYR A 23 7.123 -1.857 -9.567 1.00 0.00 H new ATOM 0 HD1 TYR A 23 7.507 0.634 -10.119 1.00 0.00 H new ATOM 0 HD2 TYR A 23 3.671 -1.207 -10.327 1.00 0.00 H new ATOM 0 HE1 TYR A 23 6.442 2.844 -9.996 1.00 0.00 H new ATOM 0 HE2 TYR A 23 2.602 1.000 -10.209 1.00 0.00 H new ATOM 0 HH TYR A 23 3.596 3.576 -10.927 1.00 0.00 H new ATOM 348 N GLU A 24 9.120 -3.090 -11.881 1.00 0.00 N ATOM 349 CA GLU A 24 10.126 -4.144 -11.824 1.00 0.00 C ATOM 350 C GLU A 24 10.581 -4.385 -10.387 1.00 0.00 C ATOM 351 O GLU A 24 10.533 -3.483 -9.549 1.00 0.00 O ATOM 352 CB GLU A 24 11.329 -3.780 -12.696 1.00 0.00 C ATOM 353 CG GLU A 24 12.209 -4.967 -13.047 1.00 0.00 C ATOM 354 CD GLU A 24 11.686 -5.752 -14.234 1.00 0.00 C ATOM 355 OE1 GLU A 24 10.518 -6.191 -14.185 1.00 0.00 O ATOM 356 OE2 GLU A 24 12.443 -5.926 -15.211 1.00 0.00 O ATOM 0 H GLU A 24 9.479 -2.178 -12.164 1.00 0.00 H new ATOM 0 HA GLU A 24 9.675 -5.061 -12.204 1.00 0.00 H new ATOM 0 HB2 GLU A 24 10.973 -3.318 -13.617 1.00 0.00 H new ATOM 0 HB3 GLU A 24 11.930 -3.034 -12.177 1.00 0.00 H new ATOM 0 HG2 GLU A 24 13.217 -4.615 -13.265 1.00 0.00 H new ATOM 0 HG3 GLU A 24 12.282 -5.628 -12.183 1.00 0.00 H new ATOM 363 N HIS A 25 11.022 -5.607 -10.109 1.00 0.00 N ATOM 364 CA HIS A 25 11.485 -5.968 -8.773 1.00 0.00 C ATOM 365 C HIS A 25 10.365 -5.812 -7.749 1.00 0.00 C ATOM 366 O HIS A 25 10.618 -5.567 -6.569 1.00 0.00 O ATOM 367 CB HIS A 25 12.681 -5.102 -8.375 1.00 0.00 C ATOM 368 CG HIS A 25 13.658 -4.882 -9.488 1.00 0.00 C ATOM 369 ND1 HIS A 25 14.175 -5.908 -10.249 1.00 0.00 N ATOM 370 CD2 HIS A 25 14.212 -3.744 -9.967 1.00 0.00 C ATOM 371 CE1 HIS A 25 15.006 -5.412 -11.148 1.00 0.00 C ATOM 372 NE2 HIS A 25 15.046 -4.100 -10.998 1.00 0.00 N ATOM 0 H HIS A 25 11.069 -6.365 -10.790 1.00 0.00 H new ATOM 0 HA HIS A 25 11.793 -7.014 -8.791 1.00 0.00 H new ATOM 0 HB2 HIS A 25 12.319 -4.136 -8.024 1.00 0.00 H new ATOM 0 HB3 HIS A 25 13.197 -5.572 -7.538 1.00 0.00 H new ATOM 0 HD2 HIS A 25 14.032 -2.742 -9.606 1.00 0.00 H new ATOM 0 HE1 HIS A 25 15.558 -5.982 -11.881 1.00 0.00 H new ATOM 0 HE2 HIS A 25 15.606 -3.456 -11.557 1.00 0.00 H new ATOM 381 N VAL A 26 9.126 -5.954 -8.208 1.00 0.00 N ATOM 382 CA VAL A 26 7.967 -5.829 -7.332 1.00 0.00 C ATOM 383 C VAL A 26 6.955 -6.937 -7.599 1.00 0.00 C ATOM 384 O VAL A 26 6.340 -6.988 -8.664 1.00 0.00 O ATOM 385 CB VAL A 26 7.275 -4.464 -7.508 1.00 0.00 C ATOM 386 CG1 VAL A 26 6.057 -4.362 -6.602 1.00 0.00 C ATOM 387 CG2 VAL A 26 8.252 -3.332 -7.231 1.00 0.00 C ATOM 0 H VAL A 26 8.899 -6.156 -9.182 1.00 0.00 H new ATOM 0 HA VAL A 26 8.333 -5.913 -6.309 1.00 0.00 H new ATOM 0 HB VAL A 26 6.938 -4.378 -8.541 1.00 0.00 H new ATOM 0 HG11 VAL A 26 5.581 -3.391 -6.740 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.349 -5.152 -6.853 1.00 0.00 H new ATOM 0 HG13 VAL A 26 6.367 -4.470 -5.562 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.746 -2.375 -7.360 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.621 -3.412 -6.209 1.00 0.00 H new ATOM 0 HG23 VAL A 26 9.090 -3.396 -7.926 1.00 0.00 H new ATOM 397 N ASP A 27 6.787 -7.824 -6.624 1.00 0.00 N ATOM 398 CA ASP A 27 5.847 -8.932 -6.752 1.00 0.00 C ATOM 399 C ASP A 27 4.947 -9.026 -5.524 1.00 0.00 C ATOM 400 O ASP A 27 5.354 -9.542 -4.482 1.00 0.00 O ATOM 401 CB ASP A 27 6.602 -10.248 -6.948 1.00 0.00 C ATOM 402 CG ASP A 27 7.648 -10.158 -8.041 1.00 0.00 C ATOM 403 OD1 ASP A 27 7.272 -9.896 -9.203 1.00 0.00 O ATOM 404 OD2 ASP A 27 8.844 -10.350 -7.736 1.00 0.00 O ATOM 0 H ASP A 27 7.289 -7.797 -5.737 1.00 0.00 H new ATOM 0 HA ASP A 27 5.221 -8.747 -7.625 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.083 -10.531 -6.011 1.00 0.00 H new ATOM 0 HB3 ASP A 27 5.892 -11.038 -7.193 1.00 0.00 H new ATOM 409 N ILE A 28 3.724 -8.523 -5.653 1.00 0.00 N ATOM 410 CA ILE A 28 2.767 -8.551 -4.554 1.00 0.00 C ATOM 411 C ILE A 28 2.033 -9.886 -4.498 1.00 0.00 C ATOM 412 O ILE A 28 1.190 -10.177 -5.345 1.00 0.00 O ATOM 413 CB ILE A 28 1.735 -7.415 -4.678 1.00 0.00 C ATOM 414 CG1 ILE A 28 2.440 -6.057 -4.717 1.00 0.00 C ATOM 415 CG2 ILE A 28 0.745 -7.470 -3.524 1.00 0.00 C ATOM 416 CD1 ILE A 28 1.658 -4.991 -5.453 1.00 0.00 C ATOM 0 H ILE A 28 3.373 -8.091 -6.508 1.00 0.00 H new ATOM 0 HA ILE A 28 3.337 -8.414 -3.635 1.00 0.00 H new ATOM 0 HB ILE A 28 1.185 -7.545 -5.610 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.623 -5.722 -3.696 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.414 -6.176 -5.193 1.00 0.00 H new ATOM 0 HG21 ILE A 28 0.022 -6.661 -3.626 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.223 -8.427 -3.538 1.00 0.00 H new ATOM 0 HG23 ILE A 28 1.280 -7.362 -2.580 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.218 -4.056 -5.441 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.498 -5.304 -6.485 1.00 0.00 H new ATOM 0 HD13 ILE A 28 0.695 -4.844 -4.965 1.00 0.00 H new ATOM 428 N GLN A 29 2.358 -10.692 -3.492 1.00 0.00 N ATOM 429 CA GLN A 29 1.728 -11.996 -3.325 1.00 0.00 C ATOM 430 C GLN A 29 1.137 -12.140 -1.926 1.00 0.00 C ATOM 431 O GLN A 29 0.138 -12.831 -1.732 1.00 0.00 O ATOM 432 CB GLN A 29 2.742 -13.112 -3.580 1.00 0.00 C ATOM 433 CG GLN A 29 2.124 -14.501 -3.607 1.00 0.00 C ATOM 434 CD GLN A 29 3.123 -15.577 -3.986 1.00 0.00 C ATOM 435 OE1 GLN A 29 3.639 -15.595 -5.105 1.00 0.00 O ATOM 436 NE2 GLN A 29 3.402 -16.481 -3.055 1.00 0.00 N ATOM 0 H GLN A 29 3.053 -10.465 -2.781 1.00 0.00 H new ATOM 0 HA GLN A 29 0.919 -12.076 -4.051 1.00 0.00 H new ATOM 0 HB2 GLN A 29 3.242 -12.927 -4.531 1.00 0.00 H new ATOM 0 HB3 GLN A 29 3.508 -13.079 -2.806 1.00 0.00 H new ATOM 0 HG2 GLN A 29 1.706 -14.728 -2.626 1.00 0.00 H new ATOM 0 HG3 GLN A 29 1.297 -14.513 -4.316 1.00 0.00 H new ATOM 0 HE21 GLN A 29 2.951 -16.428 -2.141 1.00 0.00 H new ATOM 0 HE22 GLN A 29 4.067 -17.229 -3.253 1.00 0.00 H new ATOM 445 N ASN A 30 1.762 -11.482 -0.955 1.00 0.00 N ATOM 446 CA ASN A 30 1.298 -11.537 0.427 1.00 0.00 C ATOM 447 C ASN A 30 1.906 -10.406 1.250 1.00 0.00 C ATOM 448 O ASN A 30 3.058 -10.024 1.045 1.00 0.00 O ATOM 449 CB ASN A 30 1.655 -12.887 1.053 1.00 0.00 C ATOM 450 CG ASN A 30 3.024 -13.380 0.624 1.00 0.00 C ATOM 451 OD1 ASN A 30 3.151 -14.447 0.023 1.00 0.00 O ATOM 452 ND2 ASN A 30 4.055 -12.602 0.931 1.00 0.00 N ATOM 0 H ASN A 30 2.591 -10.905 -1.099 1.00 0.00 H new ATOM 0 HA ASN A 30 0.214 -11.420 0.425 1.00 0.00 H new ATOM 0 HB2 ASN A 30 1.627 -12.799 2.139 1.00 0.00 H new ATOM 0 HB3 ASN A 30 0.902 -13.624 0.774 1.00 0.00 H new ATOM 0 HD21 ASN A 30 5.000 -12.880 0.668 1.00 0.00 H new ATOM 0 HD22 ASN A 30 3.902 -11.726 1.430 1.00 0.00 H new ATOM 459 N PHE A 31 1.123 -9.874 2.183 1.00 0.00 N ATOM 460 CA PHE A 31 1.583 -8.786 3.038 1.00 0.00 C ATOM 461 C PHE A 31 2.508 -9.308 4.133 1.00 0.00 C ATOM 462 O PHE A 31 2.263 -9.098 5.321 1.00 0.00 O ATOM 463 CB PHE A 31 0.389 -8.062 3.665 1.00 0.00 C ATOM 464 CG PHE A 31 -0.767 -7.886 2.724 1.00 0.00 C ATOM 465 CD1 PHE A 31 -0.775 -6.853 1.801 1.00 0.00 C ATOM 466 CD2 PHE A 31 -1.848 -8.753 2.762 1.00 0.00 C ATOM 467 CE1 PHE A 31 -1.838 -6.688 0.932 1.00 0.00 C ATOM 468 CE2 PHE A 31 -2.913 -8.593 1.896 1.00 0.00 C ATOM 469 CZ PHE A 31 -2.908 -7.559 0.981 1.00 0.00 C ATOM 0 H PHE A 31 0.167 -10.179 2.366 1.00 0.00 H new ATOM 0 HA PHE A 31 2.142 -8.083 2.420 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.054 -8.621 4.539 1.00 0.00 H new ATOM 0 HB3 PHE A 31 0.712 -7.083 4.017 1.00 0.00 H new ATOM 0 HD1 PHE A 31 0.059 -6.168 1.760 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.858 -9.563 3.477 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.831 -5.879 0.216 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -3.749 -9.276 1.935 1.00 0.00 H new ATOM 0 HZ PHE A 31 -3.740 -7.432 0.304 1.00 0.00 H new ATOM 479 N SER A 32 3.572 -9.991 3.724 1.00 0.00 N ATOM 480 CA SER A 32 4.533 -10.548 4.669 1.00 0.00 C ATOM 481 C SER A 32 5.933 -10.001 4.407 1.00 0.00 C ATOM 482 O SER A 32 6.545 -9.388 5.282 1.00 0.00 O ATOM 483 CB SER A 32 4.545 -12.075 4.576 1.00 0.00 C ATOM 484 OG SER A 32 3.445 -12.637 5.272 1.00 0.00 O ATOM 0 H SER A 32 3.791 -10.172 2.744 1.00 0.00 H new ATOM 0 HA SER A 32 4.229 -10.254 5.674 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.511 -12.379 3.530 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.477 -12.460 4.990 1.00 0.00 H new ATOM 0 HG SER A 32 3.474 -13.614 5.196 1.00 0.00 H new ATOM 490 N SER A 33 6.433 -10.226 3.197 1.00 0.00 N ATOM 491 CA SER A 33 7.762 -9.760 2.820 1.00 0.00 C ATOM 492 C SER A 33 7.689 -8.834 1.609 1.00 0.00 C ATOM 493 O SER A 33 8.589 -8.027 1.376 1.00 0.00 O ATOM 494 CB SER A 33 8.675 -10.948 2.513 1.00 0.00 C ATOM 495 OG SER A 33 8.374 -11.509 1.247 1.00 0.00 O ATOM 0 H SER A 33 5.938 -10.728 2.460 1.00 0.00 H new ATOM 0 HA SER A 33 8.176 -9.201 3.659 1.00 0.00 H new ATOM 0 HB2 SER A 33 9.716 -10.625 2.533 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.562 -11.707 3.287 1.00 0.00 H new ATOM 0 HG SER A 33 8.972 -12.265 1.074 1.00 0.00 H new ATOM 501 N SER A 34 6.611 -8.957 0.841 1.00 0.00 N ATOM 502 CA SER A 34 6.422 -8.135 -0.348 1.00 0.00 C ATOM 503 C SER A 34 6.510 -6.652 -0.002 1.00 0.00 C ATOM 504 O SER A 34 6.754 -5.815 -0.871 1.00 0.00 O ATOM 505 CB SER A 34 5.069 -8.440 -0.994 1.00 0.00 C ATOM 506 OG SER A 34 4.573 -7.313 -1.695 1.00 0.00 O ATOM 0 H SER A 34 5.855 -9.618 1.021 1.00 0.00 H new ATOM 0 HA SER A 34 7.217 -8.373 -1.055 1.00 0.00 H new ATOM 0 HB2 SER A 34 5.171 -9.282 -1.679 1.00 0.00 H new ATOM 0 HB3 SER A 34 4.355 -8.738 -0.226 1.00 0.00 H new ATOM 0 HG SER A 34 3.945 -6.823 -1.124 1.00 0.00 H new ATOM 512 N TRP A 35 6.310 -6.335 1.272 1.00 0.00 N ATOM 513 CA TRP A 35 6.367 -4.952 1.733 1.00 0.00 C ATOM 514 C TRP A 35 7.433 -4.781 2.809 1.00 0.00 C ATOM 515 O TRP A 35 7.354 -3.873 3.636 1.00 0.00 O ATOM 516 CB TRP A 35 5.004 -4.518 2.275 1.00 0.00 C ATOM 517 CG TRP A 35 3.851 -5.047 1.476 1.00 0.00 C ATOM 518 CD1 TRP A 35 3.442 -6.347 1.389 1.00 0.00 C ATOM 519 CD2 TRP A 35 2.960 -4.288 0.651 1.00 0.00 C ATOM 520 NE1 TRP A 35 2.351 -6.442 0.560 1.00 0.00 N ATOM 521 CE2 TRP A 35 2.035 -5.193 0.095 1.00 0.00 C ATOM 522 CE3 TRP A 35 2.853 -2.932 0.330 1.00 0.00 C ATOM 523 CZ2 TRP A 35 1.019 -4.784 -0.764 1.00 0.00 C ATOM 524 CZ3 TRP A 35 1.844 -2.528 -0.523 1.00 0.00 C ATOM 525 CH2 TRP A 35 0.937 -3.451 -1.062 1.00 0.00 C ATOM 0 H TRP A 35 6.107 -7.016 2.004 1.00 0.00 H new ATOM 0 HA TRP A 35 6.630 -4.322 0.883 1.00 0.00 H new ATOM 0 HB2 TRP A 35 4.907 -4.856 3.307 1.00 0.00 H new ATOM 0 HB3 TRP A 35 4.957 -3.429 2.290 1.00 0.00 H new ATOM 0 HD1 TRP A 35 3.908 -7.178 1.897 1.00 0.00 H new ATOM 0 HE1 TRP A 35 1.856 -7.303 0.328 1.00 0.00 H new ATOM 0 HE3 TRP A 35 3.546 -2.213 0.741 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 0.320 -5.494 -1.181 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 1.752 -1.483 -0.779 1.00 0.00 H new ATOM 0 HH2 TRP A 35 0.159 -3.103 -1.725 1.00 0.00 H new ATOM 536 N SER A 36 8.432 -5.659 2.792 1.00 0.00 N ATOM 537 CA SER A 36 9.513 -5.606 3.769 1.00 0.00 C ATOM 538 C SER A 36 10.733 -4.896 3.191 1.00 0.00 C ATOM 539 O SER A 36 11.653 -4.525 3.921 1.00 0.00 O ATOM 540 CB SER A 36 9.895 -7.019 4.215 1.00 0.00 C ATOM 541 OG SER A 36 8.887 -7.585 5.035 1.00 0.00 O ATOM 0 H SER A 36 8.515 -6.415 2.112 1.00 0.00 H new ATOM 0 HA SER A 36 9.162 -5.042 4.633 1.00 0.00 H new ATOM 0 HB2 SER A 36 10.053 -7.650 3.340 1.00 0.00 H new ATOM 0 HB3 SER A 36 10.838 -6.989 4.761 1.00 0.00 H new ATOM 0 HG SER A 36 9.175 -8.469 5.345 1.00 0.00 H new ATOM 547 N ASP A 37 10.733 -4.709 1.876 1.00 0.00 N ATOM 548 CA ASP A 37 11.839 -4.042 1.198 1.00 0.00 C ATOM 549 C ASP A 37 11.659 -2.527 1.226 1.00 0.00 C ATOM 550 O ASP A 37 12.521 -1.798 1.714 1.00 0.00 O ATOM 551 CB ASP A 37 11.947 -4.529 -0.247 1.00 0.00 C ATOM 552 CG ASP A 37 10.649 -4.366 -1.012 1.00 0.00 C ATOM 553 OD1 ASP A 37 9.574 -4.536 -0.399 1.00 0.00 O ATOM 554 OD2 ASP A 37 10.707 -4.070 -2.224 1.00 0.00 O ATOM 0 H ASP A 37 9.979 -5.010 1.258 1.00 0.00 H new ATOM 0 HA ASP A 37 12.760 -4.290 1.726 1.00 0.00 H new ATOM 0 HB2 ASP A 37 12.737 -3.976 -0.755 1.00 0.00 H new ATOM 0 HB3 ASP A 37 12.239 -5.579 -0.252 1.00 0.00 H new ATOM 559 N GLY A 38 10.531 -2.061 0.697 1.00 0.00 N ATOM 560 CA GLY A 38 10.259 -0.635 0.670 1.00 0.00 C ATOM 561 C GLY A 38 9.743 -0.169 -0.677 1.00 0.00 C ATOM 562 O GLY A 38 8.663 0.414 -0.767 1.00 0.00 O ATOM 0 H GLY A 38 9.802 -2.645 0.287 1.00 0.00 H new ATOM 0 HA2 GLY A 38 9.526 -0.393 1.440 1.00 0.00 H new ATOM 0 HA3 GLY A 38 11.170 -0.090 0.915 1.00 0.00 H new ATOM 566 N MET A 39 10.518 -0.425 -1.726 1.00 0.00 N ATOM 567 CA MET A 39 10.132 -0.026 -3.075 1.00 0.00 C ATOM 568 C MET A 39 8.649 -0.288 -3.316 1.00 0.00 C ATOM 569 O MET A 39 7.953 0.535 -3.909 1.00 0.00 O ATOM 570 CB MET A 39 10.970 -0.779 -4.111 1.00 0.00 C ATOM 571 CG MET A 39 12.431 -0.360 -4.132 1.00 0.00 C ATOM 572 SD MET A 39 13.333 -1.052 -5.531 1.00 0.00 S ATOM 573 CE MET A 39 13.613 0.418 -6.515 1.00 0.00 C ATOM 0 H MET A 39 11.416 -0.906 -1.668 1.00 0.00 H new ATOM 0 HA MET A 39 10.315 1.044 -3.178 1.00 0.00 H new ATOM 0 HB2 MET A 39 10.910 -1.848 -3.907 1.00 0.00 H new ATOM 0 HB3 MET A 39 10.540 -0.619 -5.100 1.00 0.00 H new ATOM 0 HG2 MET A 39 12.492 0.728 -4.168 1.00 0.00 H new ATOM 0 HG3 MET A 39 12.909 -0.676 -3.205 1.00 0.00 H new ATOM 0 HE1 MET A 39 14.162 0.152 -7.418 1.00 0.00 H new ATOM 0 HE2 MET A 39 12.655 0.860 -6.790 1.00 0.00 H new ATOM 0 HE3 MET A 39 14.192 1.138 -5.937 1.00 0.00 H new ATOM 583 N ALA A 40 8.173 -1.439 -2.853 1.00 0.00 N ATOM 584 CA ALA A 40 6.772 -1.807 -3.017 1.00 0.00 C ATOM 585 C ALA A 40 5.860 -0.602 -2.813 1.00 0.00 C ATOM 586 O ALA A 40 5.293 -0.071 -3.769 1.00 0.00 O ATOM 587 CB ALA A 40 6.402 -2.921 -2.049 1.00 0.00 C ATOM 0 H ALA A 40 8.737 -2.133 -2.361 1.00 0.00 H new ATOM 0 HA ALA A 40 6.634 -2.166 -4.037 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.353 -3.186 -2.183 1.00 0.00 H new ATOM 0 HB2 ALA A 40 7.024 -3.794 -2.244 1.00 0.00 H new ATOM 0 HB3 ALA A 40 6.563 -2.582 -1.026 1.00 0.00 H new ATOM 593 N PHE A 41 5.722 -0.175 -1.563 1.00 0.00 N ATOM 594 CA PHE A 41 4.877 0.967 -1.233 1.00 0.00 C ATOM 595 C PHE A 41 5.025 2.072 -2.275 1.00 0.00 C ATOM 596 O PHE A 41 4.034 2.590 -2.791 1.00 0.00 O ATOM 597 CB PHE A 41 5.231 1.507 0.154 1.00 0.00 C ATOM 598 CG PHE A 41 4.564 0.764 1.275 1.00 0.00 C ATOM 599 CD1 PHE A 41 3.225 0.973 1.563 1.00 0.00 C ATOM 600 CD2 PHE A 41 5.276 -0.145 2.042 1.00 0.00 C ATOM 601 CE1 PHE A 41 2.608 0.290 2.594 1.00 0.00 C ATOM 602 CE2 PHE A 41 4.664 -0.831 3.074 1.00 0.00 C ATOM 603 CZ PHE A 41 3.328 -0.612 3.351 1.00 0.00 C ATOM 0 H PHE A 41 6.185 -0.603 -0.761 1.00 0.00 H new ATOM 0 HA PHE A 41 3.840 0.631 -1.230 1.00 0.00 H new ATOM 0 HB2 PHE A 41 6.312 1.458 0.289 1.00 0.00 H new ATOM 0 HB3 PHE A 41 4.950 2.559 0.208 1.00 0.00 H new ATOM 0 HD1 PHE A 41 2.657 1.678 0.975 1.00 0.00 H new ATOM 0 HD2 PHE A 41 6.321 -0.319 1.831 1.00 0.00 H new ATOM 0 HE1 PHE A 41 1.563 0.462 2.807 1.00 0.00 H new ATOM 0 HE2 PHE A 41 5.229 -1.538 3.663 1.00 0.00 H new ATOM 0 HZ PHE A 41 2.848 -1.146 4.158 1.00 0.00 H new ATOM 613 N CYS A 42 6.269 2.427 -2.579 1.00 0.00 N ATOM 614 CA CYS A 42 6.548 3.471 -3.558 1.00 0.00 C ATOM 615 C CYS A 42 5.885 3.155 -4.895 1.00 0.00 C ATOM 616 O CYS A 42 5.323 4.036 -5.544 1.00 0.00 O ATOM 617 CB CYS A 42 8.057 3.629 -3.749 1.00 0.00 C ATOM 618 SG CYS A 42 8.949 4.082 -2.243 1.00 0.00 S ATOM 0 H CYS A 42 7.100 2.007 -2.162 1.00 0.00 H new ATOM 0 HA CYS A 42 6.136 4.407 -3.181 1.00 0.00 H new ATOM 0 HB2 CYS A 42 8.464 2.693 -4.132 1.00 0.00 H new ATOM 0 HB3 CYS A 42 8.239 4.389 -4.508 1.00 0.00 H new ATOM 0 HG CYS A 42 8.442 3.444 -1.230 1.00 0.00 H new ATOM 624 N ALA A 43 5.955 1.891 -5.300 1.00 0.00 N ATOM 625 CA ALA A 43 5.361 1.458 -6.559 1.00 0.00 C ATOM 626 C ALA A 43 3.846 1.631 -6.539 1.00 0.00 C ATOM 627 O ALA A 43 3.252 2.104 -7.509 1.00 0.00 O ATOM 628 CB ALA A 43 5.725 0.009 -6.844 1.00 0.00 C ATOM 0 H ALA A 43 6.417 1.149 -4.774 1.00 0.00 H new ATOM 0 HA ALA A 43 5.762 2.085 -7.356 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.275 -0.301 -7.787 1.00 0.00 H new ATOM 0 HB2 ALA A 43 6.809 -0.088 -6.910 1.00 0.00 H new ATOM 0 HB3 ALA A 43 5.353 -0.625 -6.039 1.00 0.00 H new ATOM 634 N LEU A 44 3.226 1.245 -5.430 1.00 0.00 N ATOM 635 CA LEU A 44 1.779 1.356 -5.284 1.00 0.00 C ATOM 636 C LEU A 44 1.344 2.819 -5.267 1.00 0.00 C ATOM 637 O LEU A 44 0.328 3.182 -5.859 1.00 0.00 O ATOM 638 CB LEU A 44 1.321 0.661 -4.000 1.00 0.00 C ATOM 639 CG LEU A 44 -0.172 0.757 -3.681 1.00 0.00 C ATOM 640 CD1 LEU A 44 -0.944 -0.331 -4.411 1.00 0.00 C ATOM 641 CD2 LEU A 44 -0.403 0.663 -2.180 1.00 0.00 C ATOM 0 H LEU A 44 3.703 0.852 -4.618 1.00 0.00 H new ATOM 0 HA LEU A 44 1.314 0.867 -6.140 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.591 -0.393 -4.065 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.879 1.082 -3.164 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.537 1.725 -4.024 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.004 -0.247 -4.172 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.804 -0.218 -5.486 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.578 -1.309 -4.099 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.470 0.733 -1.971 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -0.023 -0.290 -1.812 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.119 1.479 -1.680 1.00 0.00 H new ATOM 653 N VAL A 45 2.122 3.654 -4.586 1.00 0.00 N ATOM 654 CA VAL A 45 1.820 5.077 -4.494 1.00 0.00 C ATOM 655 C VAL A 45 2.156 5.795 -5.796 1.00 0.00 C ATOM 656 O VAL A 45 1.273 6.322 -6.473 1.00 0.00 O ATOM 657 CB VAL A 45 2.593 5.742 -3.340 1.00 0.00 C ATOM 658 CG1 VAL A 45 2.377 7.248 -3.349 1.00 0.00 C ATOM 659 CG2 VAL A 45 2.176 5.144 -2.005 1.00 0.00 C ATOM 0 H VAL A 45 2.966 3.369 -4.090 1.00 0.00 H new ATOM 0 HA VAL A 45 0.751 5.161 -4.301 1.00 0.00 H new ATOM 0 HB VAL A 45 3.657 5.551 -3.482 1.00 0.00 H new ATOM 0 HG11 VAL A 45 2.931 7.700 -2.526 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.730 7.661 -4.294 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.315 7.464 -3.233 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.732 5.626 -1.201 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.108 5.302 -1.853 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.388 4.075 -2.003 1.00 0.00 H new ATOM 669 N HIS A 46 3.440 5.812 -6.142 1.00 0.00 N ATOM 670 CA HIS A 46 3.894 6.465 -7.365 1.00 0.00 C ATOM 671 C HIS A 46 2.861 6.312 -8.478 1.00 0.00 C ATOM 672 O HIS A 46 2.578 7.259 -9.209 1.00 0.00 O ATOM 673 CB HIS A 46 5.234 5.880 -7.813 1.00 0.00 C ATOM 674 CG HIS A 46 5.922 6.697 -8.863 1.00 0.00 C ATOM 675 ND1 HIS A 46 5.805 6.441 -10.213 1.00 0.00 N ATOM 676 CD2 HIS A 46 6.738 7.772 -8.755 1.00 0.00 C ATOM 677 CE1 HIS A 46 6.521 7.322 -10.889 1.00 0.00 C ATOM 678 NE2 HIS A 46 7.097 8.141 -10.028 1.00 0.00 N ATOM 0 H HIS A 46 4.184 5.381 -5.593 1.00 0.00 H new ATOM 0 HA HIS A 46 4.022 7.527 -7.155 1.00 0.00 H new ATOM 0 HB2 HIS A 46 5.890 5.790 -6.947 1.00 0.00 H new ATOM 0 HB3 HIS A 46 5.072 4.873 -8.196 1.00 0.00 H new ATOM 0 HD2 HIS A 46 7.049 8.250 -7.838 1.00 0.00 H new ATOM 0 HE1 HIS A 46 6.619 7.365 -11.964 1.00 0.00 H new ATOM 0 HE2 HIS A 46 7.709 8.921 -10.269 1.00 0.00 H new ATOM 687 N ASN A 47 2.302 5.112 -8.599 1.00 0.00 N ATOM 688 CA ASN A 47 1.302 4.835 -9.624 1.00 0.00 C ATOM 689 C ASN A 47 0.216 5.906 -9.627 1.00 0.00 C ATOM 690 O ASN A 47 -0.135 6.447 -10.677 1.00 0.00 O ATOM 691 CB ASN A 47 0.675 3.458 -9.395 1.00 0.00 C ATOM 692 CG ASN A 47 0.112 2.860 -10.669 1.00 0.00 C ATOM 693 OD1 ASN A 47 0.856 2.518 -11.589 1.00 0.00 O ATOM 694 ND2 ASN A 47 -1.208 2.732 -10.730 1.00 0.00 N ATOM 0 H ASN A 47 2.524 4.317 -8.000 1.00 0.00 H new ATOM 0 HA ASN A 47 1.799 4.844 -10.594 1.00 0.00 H new ATOM 0 HB2 ASN A 47 1.426 2.784 -8.981 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -0.120 3.543 -8.654 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -1.644 2.337 -11.563 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -1.786 3.029 -9.944 1.00 0.00 H new ATOM 701 N PHE A 48 -0.313 6.209 -8.446 1.00 0.00 N ATOM 702 CA PHE A 48 -1.360 7.216 -8.313 1.00 0.00 C ATOM 703 C PHE A 48 -0.812 8.611 -8.598 1.00 0.00 C ATOM 704 O PHE A 48 -1.200 9.256 -9.573 1.00 0.00 O ATOM 705 CB PHE A 48 -1.964 7.171 -6.908 1.00 0.00 C ATOM 706 CG PHE A 48 -2.069 5.782 -6.345 1.00 0.00 C ATOM 707 CD1 PHE A 48 -2.689 4.773 -7.065 1.00 0.00 C ATOM 708 CD2 PHE A 48 -1.547 5.485 -5.096 1.00 0.00 C ATOM 709 CE1 PHE A 48 -2.787 3.495 -6.549 1.00 0.00 C ATOM 710 CE2 PHE A 48 -1.642 4.208 -4.575 1.00 0.00 C ATOM 711 CZ PHE A 48 -2.262 3.212 -5.303 1.00 0.00 C ATOM 0 H PHE A 48 -0.034 5.772 -7.568 1.00 0.00 H new ATOM 0 HA PHE A 48 -2.138 6.994 -9.043 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.355 7.780 -6.240 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -2.957 7.620 -6.933 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -3.100 4.988 -8.040 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -1.060 6.260 -4.523 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -3.274 2.718 -7.119 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.232 3.990 -3.600 1.00 0.00 H new ATOM 0 HZ PHE A 48 -2.336 2.213 -4.899 1.00 0.00 H new ATOM 721 N PHE A 49 0.093 9.072 -7.740 1.00 0.00 N ATOM 722 CA PHE A 49 0.693 10.391 -7.898 1.00 0.00 C ATOM 723 C PHE A 49 2.152 10.276 -8.330 1.00 0.00 C ATOM 724 O PHE A 49 3.070 10.260 -7.509 1.00 0.00 O ATOM 725 CB PHE A 49 0.598 11.179 -6.590 1.00 0.00 C ATOM 726 CG PHE A 49 -0.799 11.264 -6.042 1.00 0.00 C ATOM 727 CD1 PHE A 49 -1.662 12.263 -6.462 1.00 0.00 C ATOM 728 CD2 PHE A 49 -1.248 10.345 -5.108 1.00 0.00 C ATOM 729 CE1 PHE A 49 -2.946 12.345 -5.960 1.00 0.00 C ATOM 730 CE2 PHE A 49 -2.532 10.421 -4.602 1.00 0.00 C ATOM 731 CZ PHE A 49 -3.383 11.421 -5.030 1.00 0.00 C ATOM 0 H PHE A 49 0.426 8.551 -6.929 1.00 0.00 H new ATOM 0 HA PHE A 49 0.142 10.922 -8.674 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.244 10.712 -5.846 1.00 0.00 H new ATOM 0 HB3 PHE A 49 0.978 12.188 -6.754 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -1.327 12.986 -7.191 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -0.587 9.560 -4.771 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -3.608 13.130 -6.294 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -2.869 9.699 -3.873 1.00 0.00 H new ATOM 0 HZ PHE A 49 -4.388 11.481 -4.639 1.00 0.00 H new ATOM 741 N PRO A 50 2.373 10.194 -9.650 1.00 0.00 N ATOM 742 CA PRO A 50 3.718 10.079 -10.222 1.00 0.00 C ATOM 743 C PRO A 50 4.525 11.363 -10.069 1.00 0.00 C ATOM 744 O PRO A 50 5.755 11.335 -10.049 1.00 0.00 O ATOM 745 CB PRO A 50 3.451 9.789 -11.701 1.00 0.00 C ATOM 746 CG PRO A 50 2.104 10.369 -11.964 1.00 0.00 C ATOM 747 CD PRO A 50 1.327 10.207 -10.687 1.00 0.00 C ATOM 0 HA PRO A 50 4.309 9.311 -9.722 1.00 0.00 H new ATOM 0 HB2 PRO A 50 4.209 10.245 -12.337 1.00 0.00 H new ATOM 0 HB3 PRO A 50 3.467 8.718 -11.904 1.00 0.00 H new ATOM 0 HG2 PRO A 50 2.179 11.420 -12.244 1.00 0.00 H new ATOM 0 HG3 PRO A 50 1.611 9.854 -12.789 1.00 0.00 H new ATOM 0 HD2 PRO A 50 0.624 11.026 -10.538 1.00 0.00 H new ATOM 0 HD3 PRO A 50 0.747 9.284 -10.684 1.00 0.00 H new ATOM 755 N GLU A 51 3.825 12.488 -9.960 1.00 0.00 N ATOM 756 CA GLU A 51 4.478 13.782 -9.808 1.00 0.00 C ATOM 757 C GLU A 51 4.842 14.041 -8.349 1.00 0.00 C ATOM 758 O GLU A 51 5.801 14.753 -8.054 1.00 0.00 O ATOM 759 CB GLU A 51 3.570 14.900 -10.325 1.00 0.00 C ATOM 760 CG GLU A 51 2.214 14.948 -9.641 1.00 0.00 C ATOM 761 CD GLU A 51 1.401 16.164 -10.042 1.00 0.00 C ATOM 762 OE1 GLU A 51 1.984 17.264 -10.136 1.00 0.00 O ATOM 763 OE2 GLU A 51 0.180 16.014 -10.261 1.00 0.00 O ATOM 0 H GLU A 51 2.806 12.529 -9.974 1.00 0.00 H new ATOM 0 HA GLU A 51 5.396 13.768 -10.396 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.072 15.858 -10.186 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.422 14.770 -11.397 1.00 0.00 H new ATOM 0 HG2 GLU A 51 1.655 14.045 -9.887 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.356 14.951 -8.560 1.00 0.00 H new ATOM 770 N ALA A 52 4.067 13.457 -7.440 1.00 0.00 N ATOM 771 CA ALA A 52 4.307 13.623 -6.012 1.00 0.00 C ATOM 772 C ALA A 52 5.766 13.344 -5.665 1.00 0.00 C ATOM 773 O ALA A 52 6.399 14.110 -4.938 1.00 0.00 O ATOM 774 CB ALA A 52 3.389 12.710 -5.213 1.00 0.00 C ATOM 0 H ALA A 52 3.268 12.865 -7.668 1.00 0.00 H new ATOM 0 HA ALA A 52 4.090 14.658 -5.750 1.00 0.00 H new ATOM 0 HB1 ALA A 52 3.579 12.844 -4.148 1.00 0.00 H new ATOM 0 HB2 ALA A 52 2.350 12.958 -5.430 1.00 0.00 H new ATOM 0 HB3 ALA A 52 3.579 11.672 -5.487 1.00 0.00 H new ATOM 780 N PHE A 53 6.293 12.242 -6.188 1.00 0.00 N ATOM 781 CA PHE A 53 7.678 11.861 -5.932 1.00 0.00 C ATOM 782 C PHE A 53 8.226 11.005 -7.070 1.00 0.00 C ATOM 783 O PHE A 53 7.468 10.475 -7.883 1.00 0.00 O ATOM 784 CB PHE A 53 7.783 11.099 -4.609 1.00 0.00 C ATOM 785 CG PHE A 53 7.222 9.707 -4.673 1.00 0.00 C ATOM 786 CD1 PHE A 53 5.872 9.500 -4.908 1.00 0.00 C ATOM 787 CD2 PHE A 53 8.044 8.606 -4.498 1.00 0.00 C ATOM 788 CE1 PHE A 53 5.354 8.220 -4.966 1.00 0.00 C ATOM 789 CE2 PHE A 53 7.532 7.324 -4.556 1.00 0.00 C ATOM 790 CZ PHE A 53 6.185 7.131 -4.791 1.00 0.00 C ATOM 0 H PHE A 53 5.783 11.597 -6.791 1.00 0.00 H new ATOM 0 HA PHE A 53 8.273 12.772 -5.867 1.00 0.00 H new ATOM 0 HB2 PHE A 53 8.830 11.047 -4.311 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.259 11.658 -3.834 1.00 0.00 H new ATOM 0 HD1 PHE A 53 5.218 10.348 -5.047 1.00 0.00 H new ATOM 0 HD2 PHE A 53 9.098 8.751 -4.314 1.00 0.00 H new ATOM 0 HE1 PHE A 53 4.300 8.071 -5.148 1.00 0.00 H new ATOM 0 HE2 PHE A 53 8.184 6.474 -4.418 1.00 0.00 H new ATOM 0 HZ PHE A 53 5.782 6.130 -4.838 1.00 0.00 H new ATOM 800 N ASP A 54 9.547 10.874 -7.121 1.00 0.00 N ATOM 801 CA ASP A 54 10.197 10.082 -8.158 1.00 0.00 C ATOM 802 C ASP A 54 10.460 8.660 -7.672 1.00 0.00 C ATOM 803 O ASP A 54 10.954 8.454 -6.564 1.00 0.00 O ATOM 804 CB ASP A 54 11.511 10.740 -8.583 1.00 0.00 C ATOM 805 CG ASP A 54 11.298 12.096 -9.227 1.00 0.00 C ATOM 806 OD1 ASP A 54 10.251 12.285 -9.881 1.00 0.00 O ATOM 807 OD2 ASP A 54 12.179 12.968 -9.076 1.00 0.00 O ATOM 0 H ASP A 54 10.189 11.306 -6.456 1.00 0.00 H new ATOM 0 HA ASP A 54 9.528 10.035 -9.017 1.00 0.00 H new ATOM 0 HB2 ASP A 54 12.156 10.852 -7.712 1.00 0.00 H new ATOM 0 HB3 ASP A 54 12.031 10.086 -9.283 1.00 0.00 H new ATOM 812 N TYR A 55 10.124 7.684 -8.507 1.00 0.00 N ATOM 813 CA TYR A 55 10.320 6.281 -8.161 1.00 0.00 C ATOM 814 C TYR A 55 11.693 5.794 -8.615 1.00 0.00 C ATOM 815 O TYR A 55 12.444 5.206 -7.839 1.00 0.00 O ATOM 816 CB TYR A 55 9.226 5.420 -8.795 1.00 0.00 C ATOM 817 CG TYR A 55 9.419 3.937 -8.574 1.00 0.00 C ATOM 818 CD1 TYR A 55 9.031 3.336 -7.382 1.00 0.00 C ATOM 819 CD2 TYR A 55 9.989 3.136 -9.556 1.00 0.00 C ATOM 820 CE1 TYR A 55 9.206 1.981 -7.175 1.00 0.00 C ATOM 821 CE2 TYR A 55 10.166 1.780 -9.358 1.00 0.00 C ATOM 822 CZ TYR A 55 9.773 1.208 -8.166 1.00 0.00 C ATOM 823 OH TYR A 55 9.949 -0.142 -7.965 1.00 0.00 O ATOM 0 H TYR A 55 9.715 7.838 -9.428 1.00 0.00 H new ATOM 0 HA TYR A 55 10.263 6.189 -7.076 1.00 0.00 H new ATOM 0 HB2 TYR A 55 8.260 5.717 -8.387 1.00 0.00 H new ATOM 0 HB3 TYR A 55 9.194 5.618 -9.866 1.00 0.00 H new ATOM 0 HD1 TYR A 55 8.585 3.938 -6.604 1.00 0.00 H new ATOM 0 HD2 TYR A 55 10.299 3.581 -10.490 1.00 0.00 H new ATOM 0 HE1 TYR A 55 8.900 1.530 -6.242 1.00 0.00 H new ATOM 0 HE2 TYR A 55 10.610 1.171 -10.132 1.00 0.00 H new ATOM 0 HH TYR A 55 10.360 -0.540 -8.760 1.00 0.00 H new ATOM 833 N GLY A 56 12.013 6.045 -9.881 1.00 0.00 N ATOM 834 CA GLY A 56 13.295 5.627 -10.419 1.00 0.00 C ATOM 835 C GLY A 56 14.464 6.227 -9.663 1.00 0.00 C ATOM 836 O GLY A 56 15.558 5.663 -9.651 1.00 0.00 O ATOM 0 H GLY A 56 11.408 6.530 -10.543 1.00 0.00 H new ATOM 0 HA2 GLY A 56 13.363 4.540 -10.384 1.00 0.00 H new ATOM 0 HA3 GLY A 56 13.357 5.917 -11.468 1.00 0.00 H new ATOM 840 N GLN A 57 14.233 7.374 -9.031 1.00 0.00 N ATOM 841 CA GLN A 57 15.277 8.051 -8.272 1.00 0.00 C ATOM 842 C GLN A 57 15.605 7.285 -6.994 1.00 0.00 C ATOM 843 O GLN A 57 16.744 7.295 -6.526 1.00 0.00 O ATOM 844 CB GLN A 57 14.844 9.477 -7.928 1.00 0.00 C ATOM 845 CG GLN A 57 15.205 10.496 -8.997 1.00 0.00 C ATOM 846 CD GLN A 57 16.580 11.100 -8.786 1.00 0.00 C ATOM 847 OE1 GLN A 57 17.598 10.428 -8.951 1.00 0.00 O ATOM 848 NE2 GLN A 57 16.616 12.376 -8.420 1.00 0.00 N ATOM 0 H GLN A 57 13.332 7.853 -9.030 1.00 0.00 H new ATOM 0 HA GLN A 57 16.173 8.090 -8.891 1.00 0.00 H new ATOM 0 HB2 GLN A 57 13.765 9.493 -7.772 1.00 0.00 H new ATOM 0 HB3 GLN A 57 15.307 9.771 -6.986 1.00 0.00 H new ATOM 0 HG2 GLN A 57 15.168 10.018 -9.976 1.00 0.00 H new ATOM 0 HG3 GLN A 57 14.460 11.291 -9.002 1.00 0.00 H new ATOM 0 HE21 GLN A 57 15.747 12.895 -8.295 1.00 0.00 H new ATOM 0 HE22 GLN A 57 17.513 12.837 -8.264 1.00 0.00 H new ATOM 857 N LEU A 58 14.600 6.621 -6.434 1.00 0.00 N ATOM 858 CA LEU A 58 14.780 5.849 -5.210 1.00 0.00 C ATOM 859 C LEU A 58 15.712 4.665 -5.445 1.00 0.00 C ATOM 860 O LEU A 58 16.075 4.364 -6.582 1.00 0.00 O ATOM 861 CB LEU A 58 13.429 5.354 -4.692 1.00 0.00 C ATOM 862 CG LEU A 58 12.407 6.436 -4.343 1.00 0.00 C ATOM 863 CD1 LEU A 58 11.022 5.828 -4.177 1.00 0.00 C ATOM 864 CD2 LEU A 58 12.822 7.174 -3.078 1.00 0.00 C ATOM 0 H LEU A 58 13.651 6.602 -6.809 1.00 0.00 H new ATOM 0 HA LEU A 58 15.232 6.501 -4.462 1.00 0.00 H new ATOM 0 HB2 LEU A 58 12.992 4.699 -5.445 1.00 0.00 H new ATOM 0 HB3 LEU A 58 13.603 4.747 -3.804 1.00 0.00 H new ATOM 0 HG LEU A 58 12.371 7.153 -5.163 1.00 0.00 H new ATOM 0 HD11 LEU A 58 10.307 6.613 -3.929 1.00 0.00 H new ATOM 0 HD12 LEU A 58 10.722 5.346 -5.107 1.00 0.00 H new ATOM 0 HD13 LEU A 58 11.043 5.089 -3.376 1.00 0.00 H new ATOM 0 HD21 LEU A 58 12.083 7.940 -2.845 1.00 0.00 H new ATOM 0 HD22 LEU A 58 12.887 6.468 -2.250 1.00 0.00 H new ATOM 0 HD23 LEU A 58 13.794 7.642 -3.232 1.00 0.00 H new ATOM 876 N SER A 59 16.095 3.995 -4.363 1.00 0.00 N ATOM 877 CA SER A 59 16.986 2.844 -4.451 1.00 0.00 C ATOM 878 C SER A 59 16.519 1.723 -3.527 1.00 0.00 C ATOM 879 O SER A 59 15.930 1.958 -2.472 1.00 0.00 O ATOM 880 CB SER A 59 18.417 3.252 -4.094 1.00 0.00 C ATOM 881 OG SER A 59 19.034 3.941 -5.167 1.00 0.00 O ATOM 0 H SER A 59 15.802 4.230 -3.415 1.00 0.00 H new ATOM 0 HA SER A 59 16.965 2.477 -5.477 1.00 0.00 H new ATOM 0 HB2 SER A 59 18.407 3.887 -3.208 1.00 0.00 H new ATOM 0 HB3 SER A 59 19.000 2.365 -3.844 1.00 0.00 H new ATOM 0 HG SER A 59 19.947 4.192 -4.913 1.00 0.00 H new ATOM 887 N PRO A 60 16.788 0.473 -3.933 1.00 0.00 N ATOM 888 CA PRO A 60 16.405 -0.710 -3.157 1.00 0.00 C ATOM 889 C PRO A 60 17.215 -0.848 -1.872 1.00 0.00 C ATOM 890 O PRO A 60 16.760 -1.458 -0.905 1.00 0.00 O ATOM 891 CB PRO A 60 16.708 -1.871 -4.107 1.00 0.00 C ATOM 892 CG PRO A 60 17.767 -1.350 -5.016 1.00 0.00 C ATOM 893 CD PRO A 60 17.486 0.119 -5.179 1.00 0.00 C ATOM 0 HA PRO A 60 15.365 -0.666 -2.834 1.00 0.00 H new ATOM 0 HB2 PRO A 60 17.052 -2.750 -3.561 1.00 0.00 H new ATOM 0 HB3 PRO A 60 15.820 -2.169 -4.664 1.00 0.00 H new ATOM 0 HG2 PRO A 60 18.759 -1.513 -4.594 1.00 0.00 H new ATOM 0 HG3 PRO A 60 17.742 -1.861 -5.978 1.00 0.00 H new ATOM 0 HD2 PRO A 60 18.405 0.693 -5.302 1.00 0.00 H new ATOM 0 HD3 PRO A 60 16.868 0.315 -6.055 1.00 0.00 H new ATOM 901 N GLN A 61 18.415 -0.277 -1.870 1.00 0.00 N ATOM 902 CA GLN A 61 19.287 -0.337 -0.704 1.00 0.00 C ATOM 903 C GLN A 61 18.727 0.503 0.439 1.00 0.00 C ATOM 904 O GLN A 61 19.079 0.303 1.600 1.00 0.00 O ATOM 905 CB GLN A 61 20.693 0.145 -1.066 1.00 0.00 C ATOM 906 CG GLN A 61 21.754 -0.258 -0.055 1.00 0.00 C ATOM 907 CD GLN A 61 23.150 -0.260 -0.645 1.00 0.00 C ATOM 908 OE1 GLN A 61 23.363 0.194 -1.769 1.00 0.00 O ATOM 909 NE2 GLN A 61 24.112 -0.774 0.113 1.00 0.00 N ATOM 0 H GLN A 61 18.805 0.232 -2.663 1.00 0.00 H new ATOM 0 HA GLN A 61 19.340 -1.375 -0.375 1.00 0.00 H new ATOM 0 HB2 GLN A 61 20.964 -0.254 -2.043 1.00 0.00 H new ATOM 0 HB3 GLN A 61 20.683 1.231 -1.157 1.00 0.00 H new ATOM 0 HG2 GLN A 61 21.722 0.427 0.792 1.00 0.00 H new ATOM 0 HG3 GLN A 61 21.525 -1.252 0.330 1.00 0.00 H new ATOM 0 HE21 GLN A 61 23.891 -1.140 1.039 1.00 0.00 H new ATOM 0 HE22 GLN A 61 25.072 -0.803 -0.231 1.00 0.00 H new ATOM 918 N ASN A 62 17.853 1.446 0.101 1.00 0.00 N ATOM 919 CA ASN A 62 17.244 2.318 1.099 1.00 0.00 C ATOM 920 C ASN A 62 16.041 1.643 1.749 1.00 0.00 C ATOM 921 O ASN A 62 15.046 1.350 1.085 1.00 0.00 O ATOM 922 CB ASN A 62 16.817 3.640 0.458 1.00 0.00 C ATOM 923 CG ASN A 62 17.917 4.684 0.500 1.00 0.00 C ATOM 924 OD1 ASN A 62 18.412 5.038 1.570 1.00 0.00 O ATOM 925 ND2 ASN A 62 18.303 5.183 -0.668 1.00 0.00 N ATOM 0 H ASN A 62 17.551 1.626 -0.856 1.00 0.00 H new ATOM 0 HA ASN A 62 17.986 2.519 1.871 1.00 0.00 H new ATOM 0 HB2 ASN A 62 16.528 3.462 -0.578 1.00 0.00 H new ATOM 0 HB3 ASN A 62 15.936 4.023 0.973 1.00 0.00 H new ATOM 0 HD21 ASN A 62 19.038 5.889 -0.703 1.00 0.00 H new ATOM 0 HD22 ASN A 62 17.865 4.860 -1.530 1.00 0.00 H new ATOM 932 N ARG A 63 16.138 1.400 3.052 1.00 0.00 N ATOM 933 CA ARG A 63 15.058 0.759 3.793 1.00 0.00 C ATOM 934 C ARG A 63 14.100 1.800 4.367 1.00 0.00 C ATOM 935 O ARG A 63 12.893 1.572 4.443 1.00 0.00 O ATOM 936 CB ARG A 63 15.626 -0.103 4.921 1.00 0.00 C ATOM 937 CG ARG A 63 16.424 -1.300 4.430 1.00 0.00 C ATOM 938 CD ARG A 63 17.893 -0.952 4.244 1.00 0.00 C ATOM 939 NE ARG A 63 18.664 -1.166 5.466 1.00 0.00 N ATOM 940 CZ ARG A 63 18.889 -2.364 5.994 1.00 0.00 C ATOM 941 NH1 ARG A 63 18.404 -3.451 5.409 1.00 0.00 N ATOM 942 NH2 ARG A 63 19.600 -2.476 7.108 1.00 0.00 N ATOM 0 H ARG A 63 16.954 1.637 3.617 1.00 0.00 H new ATOM 0 HA ARG A 63 14.505 0.123 3.102 1.00 0.00 H new ATOM 0 HB2 ARG A 63 16.265 0.515 5.552 1.00 0.00 H new ATOM 0 HB3 ARG A 63 14.805 -0.456 5.546 1.00 0.00 H new ATOM 0 HG2 ARG A 63 16.330 -2.119 5.144 1.00 0.00 H new ATOM 0 HG3 ARG A 63 16.010 -1.652 3.485 1.00 0.00 H new ATOM 0 HD2 ARG A 63 18.311 -1.559 3.441 1.00 0.00 H new ATOM 0 HD3 ARG A 63 17.983 0.090 3.936 1.00 0.00 H new ATOM 0 HE ARG A 63 19.051 -0.350 5.940 1.00 0.00 H new ATOM 0 HH11 ARG A 63 17.857 -3.368 4.552 1.00 0.00 H new ATOM 0 HH12 ARG A 63 18.578 -4.370 5.816 1.00 0.00 H new ATOM 0 HH21 ARG A 63 19.975 -1.642 7.560 1.00 0.00 H new ATOM 0 HH22 ARG A 63 19.772 -3.396 7.513 1.00 0.00 H new ATOM 956 N ARG A 64 14.648 2.942 4.769 1.00 0.00 N ATOM 957 CA ARG A 64 13.843 4.017 5.337 1.00 0.00 C ATOM 958 C ARG A 64 13.246 4.889 4.237 1.00 0.00 C ATOM 959 O ARG A 64 12.027 4.962 4.084 1.00 0.00 O ATOM 960 CB ARG A 64 14.691 4.874 6.279 1.00 0.00 C ATOM 961 CG ARG A 64 15.187 4.125 7.505 1.00 0.00 C ATOM 962 CD ARG A 64 16.457 4.748 8.062 1.00 0.00 C ATOM 963 NE ARG A 64 17.100 3.887 9.051 1.00 0.00 N ATOM 964 CZ ARG A 64 18.151 4.257 9.776 1.00 0.00 C ATOM 965 NH1 ARG A 64 18.673 5.466 9.622 1.00 0.00 N ATOM 966 NH2 ARG A 64 18.680 3.418 10.656 1.00 0.00 N ATOM 0 H ARG A 64 15.646 3.147 4.712 1.00 0.00 H new ATOM 0 HA ARG A 64 13.027 3.567 5.902 1.00 0.00 H new ATOM 0 HB2 ARG A 64 15.549 5.262 5.730 1.00 0.00 H new ATOM 0 HB3 ARG A 64 14.104 5.733 6.602 1.00 0.00 H new ATOM 0 HG2 ARG A 64 14.413 4.127 8.272 1.00 0.00 H new ATOM 0 HG3 ARG A 64 15.375 3.083 7.245 1.00 0.00 H new ATOM 0 HD2 ARG A 64 17.152 4.945 7.246 1.00 0.00 H new ATOM 0 HD3 ARG A 64 16.220 5.709 8.518 1.00 0.00 H new ATOM 0 HE ARG A 64 16.722 2.950 9.193 1.00 0.00 H new ATOM 0 HH11 ARG A 64 18.268 6.114 8.946 1.00 0.00 H new ATOM 0 HH12 ARG A 64 19.479 5.748 10.179 1.00 0.00 H new ATOM 0 HH21 ARG A 64 18.281 2.487 10.777 1.00 0.00 H new ATOM 0 HH22 ARG A 64 19.486 3.703 11.212 1.00 0.00 H new ATOM 980 N GLN A 65 14.113 5.548 3.475 1.00 0.00 N ATOM 981 CA GLN A 65 13.670 6.416 2.390 1.00 0.00 C ATOM 982 C GLN A 65 12.494 5.796 1.643 1.00 0.00 C ATOM 983 O GLN A 65 11.463 6.437 1.447 1.00 0.00 O ATOM 984 CB GLN A 65 14.822 6.684 1.421 1.00 0.00 C ATOM 985 CG GLN A 65 14.583 7.875 0.507 1.00 0.00 C ATOM 986 CD GLN A 65 15.863 8.401 -0.112 1.00 0.00 C ATOM 987 OE1 GLN A 65 16.450 9.368 0.376 1.00 0.00 O ATOM 988 NE2 GLN A 65 16.304 7.767 -1.192 1.00 0.00 N ATOM 0 H GLN A 65 15.125 5.498 3.589 1.00 0.00 H new ATOM 0 HA GLN A 65 13.343 7.361 2.824 1.00 0.00 H new ATOM 0 HB2 GLN A 65 15.735 6.852 1.992 1.00 0.00 H new ATOM 0 HB3 GLN A 65 14.987 5.796 0.811 1.00 0.00 H new ATOM 0 HG2 GLN A 65 13.892 7.587 -0.285 1.00 0.00 H new ATOM 0 HG3 GLN A 65 14.103 8.673 1.074 1.00 0.00 H new ATOM 0 HE21 GLN A 65 15.786 6.970 -1.563 1.00 0.00 H new ATOM 0 HE22 GLN A 65 17.161 8.077 -1.651 1.00 0.00 H new ATOM 997 N ASN A 66 12.657 4.544 1.227 1.00 0.00 N ATOM 998 CA ASN A 66 11.609 3.837 0.500 1.00 0.00 C ATOM 999 C ASN A 66 10.256 4.021 1.181 1.00 0.00 C ATOM 1000 O ASN A 66 9.281 4.431 0.549 1.00 0.00 O ATOM 1001 CB ASN A 66 11.944 2.348 0.400 1.00 0.00 C ATOM 1002 CG ASN A 66 13.028 2.066 -0.622 1.00 0.00 C ATOM 1003 OD1 ASN A 66 13.515 2.976 -1.294 1.00 0.00 O ATOM 1004 ND2 ASN A 66 13.412 0.801 -0.744 1.00 0.00 N ATOM 0 H ASN A 66 13.505 3.998 1.381 1.00 0.00 H new ATOM 0 HA ASN A 66 11.551 4.257 -0.504 1.00 0.00 H new ATOM 0 HB2 ASN A 66 12.265 1.985 1.376 1.00 0.00 H new ATOM 0 HB3 ASN A 66 11.044 1.793 0.134 1.00 0.00 H new ATOM 0 HD21 ASN A 66 14.138 0.551 -1.415 1.00 0.00 H new ATOM 0 HD22 ASN A 66 12.981 0.079 -0.166 1.00 0.00 H new ATOM 1011 N PHE A 67 10.203 3.715 2.473 1.00 0.00 N ATOM 1012 CA PHE A 67 8.970 3.846 3.240 1.00 0.00 C ATOM 1013 C PHE A 67 8.583 5.313 3.401 1.00 0.00 C ATOM 1014 O PHE A 67 7.539 5.747 2.915 1.00 0.00 O ATOM 1015 CB PHE A 67 9.128 3.195 4.615 1.00 0.00 C ATOM 1016 CG PHE A 67 8.929 1.706 4.600 1.00 0.00 C ATOM 1017 CD1 PHE A 67 9.902 0.869 4.077 1.00 0.00 C ATOM 1018 CD2 PHE A 67 7.770 1.143 5.109 1.00 0.00 C ATOM 1019 CE1 PHE A 67 9.721 -0.501 4.061 1.00 0.00 C ATOM 1020 CE2 PHE A 67 7.583 -0.226 5.096 1.00 0.00 C ATOM 1021 CZ PHE A 67 8.561 -1.049 4.572 1.00 0.00 C ATOM 0 H PHE A 67 11.000 3.374 3.011 1.00 0.00 H new ATOM 0 HA PHE A 67 8.176 3.337 2.694 1.00 0.00 H new ATOM 0 HB2 PHE A 67 10.123 3.417 5.001 1.00 0.00 H new ATOM 0 HB3 PHE A 67 8.412 3.642 5.304 1.00 0.00 H new ATOM 0 HD1 PHE A 67 10.812 1.292 3.677 1.00 0.00 H new ATOM 0 HD2 PHE A 67 7.003 1.782 5.521 1.00 0.00 H new ATOM 0 HE1 PHE A 67 10.486 -1.142 3.649 1.00 0.00 H new ATOM 0 HE2 PHE A 67 6.674 -0.652 5.495 1.00 0.00 H new ATOM 0 HZ PHE A 67 8.419 -2.120 4.562 1.00 0.00 H new ATOM 1031 N GLU A 68 9.432 6.071 4.089 1.00 0.00 N ATOM 1032 CA GLU A 68 9.178 7.489 4.315 1.00 0.00 C ATOM 1033 C GLU A 68 8.582 8.141 3.071 1.00 0.00 C ATOM 1034 O GLU A 68 7.462 8.650 3.099 1.00 0.00 O ATOM 1035 CB GLU A 68 10.471 8.205 4.710 1.00 0.00 C ATOM 1036 CG GLU A 68 11.255 7.490 5.798 1.00 0.00 C ATOM 1037 CD GLU A 68 12.053 8.444 6.665 1.00 0.00 C ATOM 1038 OE1 GLU A 68 11.432 9.291 7.342 1.00 0.00 O ATOM 1039 OE2 GLU A 68 13.298 8.345 6.667 1.00 0.00 O ATOM 0 H GLU A 68 10.300 5.727 4.499 1.00 0.00 H new ATOM 0 HA GLU A 68 8.459 7.577 5.129 1.00 0.00 H new ATOM 0 HB2 GLU A 68 11.103 8.309 3.828 1.00 0.00 H new ATOM 0 HB3 GLU A 68 10.229 9.212 5.050 1.00 0.00 H new ATOM 0 HG2 GLU A 68 10.566 6.925 6.425 1.00 0.00 H new ATOM 0 HG3 GLU A 68 11.932 6.770 5.339 1.00 0.00 H new ATOM 1046 N VAL A 69 9.341 8.122 1.979 1.00 0.00 N ATOM 1047 CA VAL A 69 8.889 8.710 0.724 1.00 0.00 C ATOM 1048 C VAL A 69 7.469 8.269 0.390 1.00 0.00 C ATOM 1049 O VAL A 69 6.591 9.097 0.150 1.00 0.00 O ATOM 1050 CB VAL A 69 9.821 8.328 -0.442 1.00 0.00 C ATOM 1051 CG1 VAL A 69 9.231 8.783 -1.768 1.00 0.00 C ATOM 1052 CG2 VAL A 69 11.205 8.923 -0.234 1.00 0.00 C ATOM 0 H VAL A 69 10.271 7.706 1.939 1.00 0.00 H new ATOM 0 HA VAL A 69 8.908 9.792 0.856 1.00 0.00 H new ATOM 0 HB VAL A 69 9.917 7.242 -0.467 1.00 0.00 H new ATOM 0 HG11 VAL A 69 9.903 8.505 -2.580 1.00 0.00 H new ATOM 0 HG12 VAL A 69 8.263 8.305 -1.918 1.00 0.00 H new ATOM 0 HG13 VAL A 69 9.104 9.866 -1.757 1.00 0.00 H new ATOM 0 HG21 VAL A 69 11.850 8.643 -1.067 1.00 0.00 H new ATOM 0 HG22 VAL A 69 11.130 10.009 -0.182 1.00 0.00 H new ATOM 0 HG23 VAL A 69 11.628 8.544 0.696 1.00 0.00 H new ATOM 1062 N ALA A 70 7.250 6.958 0.377 1.00 0.00 N ATOM 1063 CA ALA A 70 5.935 6.406 0.075 1.00 0.00 C ATOM 1064 C ALA A 70 4.865 7.012 0.978 1.00 0.00 C ATOM 1065 O ALA A 70 3.860 7.538 0.499 1.00 0.00 O ATOM 1066 CB ALA A 70 5.953 4.891 0.218 1.00 0.00 C ATOM 0 H ALA A 70 7.966 6.259 0.572 1.00 0.00 H new ATOM 0 HA ALA A 70 5.690 6.660 -0.956 1.00 0.00 H new ATOM 0 HB1 ALA A 70 4.965 4.492 -0.010 1.00 0.00 H new ATOM 0 HB2 ALA A 70 6.683 4.469 -0.473 1.00 0.00 H new ATOM 0 HB3 ALA A 70 6.224 4.625 1.240 1.00 0.00 H new ATOM 1072 N PHE A 71 5.087 6.934 2.286 1.00 0.00 N ATOM 1073 CA PHE A 71 4.141 7.473 3.255 1.00 0.00 C ATOM 1074 C PHE A 71 3.868 8.950 2.986 1.00 0.00 C ATOM 1075 O PHE A 71 2.770 9.325 2.577 1.00 0.00 O ATOM 1076 CB PHE A 71 4.676 7.292 4.677 1.00 0.00 C ATOM 1077 CG PHE A 71 4.646 5.867 5.152 1.00 0.00 C ATOM 1078 CD1 PHE A 71 3.504 5.098 5.005 1.00 0.00 C ATOM 1079 CD2 PHE A 71 5.761 5.298 5.747 1.00 0.00 C ATOM 1080 CE1 PHE A 71 3.473 3.787 5.441 1.00 0.00 C ATOM 1081 CE2 PHE A 71 5.736 3.987 6.184 1.00 0.00 C ATOM 1082 CZ PHE A 71 4.591 3.231 6.032 1.00 0.00 C ATOM 0 H PHE A 71 5.914 6.503 2.699 1.00 0.00 H new ATOM 0 HA PHE A 71 3.204 6.925 3.154 1.00 0.00 H new ATOM 0 HB2 PHE A 71 5.701 7.660 4.720 1.00 0.00 H new ATOM 0 HB3 PHE A 71 4.088 7.906 5.359 1.00 0.00 H new ATOM 0 HD1 PHE A 71 2.627 5.528 4.544 1.00 0.00 H new ATOM 0 HD2 PHE A 71 6.659 5.885 5.870 1.00 0.00 H new ATOM 0 HE1 PHE A 71 2.576 3.198 5.320 1.00 0.00 H new ATOM 0 HE2 PHE A 71 6.612 3.554 6.644 1.00 0.00 H new ATOM 0 HZ PHE A 71 4.569 2.207 6.374 1.00 0.00 H new ATOM 1092 N SER A 72 4.877 9.783 3.220 1.00 0.00 N ATOM 1093 CA SER A 72 4.746 11.220 3.008 1.00 0.00 C ATOM 1094 C SER A 72 4.061 11.512 1.676 1.00 0.00 C ATOM 1095 O SER A 72 3.046 12.206 1.627 1.00 0.00 O ATOM 1096 CB SER A 72 6.121 11.890 3.045 1.00 0.00 C ATOM 1097 OG SER A 72 6.531 12.140 4.378 1.00 0.00 O ATOM 0 H SER A 72 5.794 9.488 3.556 1.00 0.00 H new ATOM 0 HA SER A 72 4.130 11.626 3.810 1.00 0.00 H new ATOM 0 HB2 SER A 72 6.853 11.252 2.550 1.00 0.00 H new ATOM 0 HB3 SER A 72 6.087 12.827 2.490 1.00 0.00 H new ATOM 0 HG SER A 72 7.413 12.567 4.374 1.00 0.00 H new ATOM 1103 N SER A 73 4.625 10.977 0.598 1.00 0.00 N ATOM 1104 CA SER A 73 4.072 11.183 -0.735 1.00 0.00 C ATOM 1105 C SER A 73 2.547 11.172 -0.698 1.00 0.00 C ATOM 1106 O SER A 73 1.891 11.853 -1.486 1.00 0.00 O ATOM 1107 CB SER A 73 4.578 10.102 -1.693 1.00 0.00 C ATOM 1108 OG SER A 73 5.964 10.253 -1.946 1.00 0.00 O ATOM 0 H SER A 73 5.464 10.398 0.622 1.00 0.00 H new ATOM 0 HA SER A 73 4.403 12.158 -1.092 1.00 0.00 H new ATOM 0 HB2 SER A 73 4.388 9.117 -1.267 1.00 0.00 H new ATOM 0 HB3 SER A 73 4.026 10.156 -2.631 1.00 0.00 H new ATOM 0 HG SER A 73 6.152 10.030 -2.882 1.00 0.00 H new ATOM 1114 N ALA A 74 1.989 10.394 0.223 1.00 0.00 N ATOM 1115 CA ALA A 74 0.541 10.295 0.365 1.00 0.00 C ATOM 1116 C ALA A 74 -0.017 11.487 1.136 1.00 0.00 C ATOM 1117 O ALA A 74 -0.785 12.282 0.595 1.00 0.00 O ATOM 1118 CB ALA A 74 0.167 8.994 1.058 1.00 0.00 C ATOM 0 H ALA A 74 2.517 9.823 0.882 1.00 0.00 H new ATOM 0 HA ALA A 74 0.101 10.302 -0.632 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.917 8.933 1.157 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.525 8.151 0.467 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.624 8.964 2.047 1.00 0.00 H new ATOM 1124 N GLU A 75 0.373 11.603 2.401 1.00 0.00 N ATOM 1125 CA GLU A 75 -0.091 12.697 3.246 1.00 0.00 C ATOM 1126 C GLU A 75 -0.059 14.021 2.487 1.00 0.00 C ATOM 1127 O GLU A 75 -0.822 14.941 2.786 1.00 0.00 O ATOM 1128 CB GLU A 75 0.770 12.799 4.507 1.00 0.00 C ATOM 1129 CG GLU A 75 0.446 14.007 5.369 1.00 0.00 C ATOM 1130 CD GLU A 75 1.192 13.998 6.689 1.00 0.00 C ATOM 1131 OE1 GLU A 75 1.233 12.933 7.339 1.00 0.00 O ATOM 1132 OE2 GLU A 75 1.734 15.056 7.072 1.00 0.00 O ATOM 0 H GLU A 75 1.009 10.953 2.863 1.00 0.00 H new ATOM 0 HA GLU A 75 -1.121 12.487 3.535 1.00 0.00 H new ATOM 0 HB2 GLU A 75 0.639 11.894 5.100 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.820 12.841 4.217 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.694 14.916 4.822 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -0.626 14.034 5.562 1.00 0.00 H new ATOM 1139 N THR A 76 0.830 14.111 1.503 1.00 0.00 N ATOM 1140 CA THR A 76 0.964 15.321 0.702 1.00 0.00 C ATOM 1141 C THR A 76 -0.401 15.870 0.303 1.00 0.00 C ATOM 1142 O THR A 76 -0.825 16.920 0.787 1.00 0.00 O ATOM 1143 CB THR A 76 1.793 15.064 -0.570 1.00 0.00 C ATOM 1144 OG1 THR A 76 3.012 14.392 -0.234 1.00 0.00 O ATOM 1145 CG2 THR A 76 2.109 16.370 -1.284 1.00 0.00 C ATOM 0 H THR A 76 1.468 13.360 1.242 1.00 0.00 H new ATOM 0 HA THR A 76 1.481 16.054 1.321 1.00 0.00 H new ATOM 0 HB THR A 76 1.205 14.436 -1.239 1.00 0.00 H new ATOM 0 HG1 THR A 76 3.532 14.231 -1.049 1.00 0.00 H new ATOM 0 HG21 THR A 76 2.695 16.163 -2.179 1.00 0.00 H new ATOM 0 HG22 THR A 76 1.180 16.865 -1.565 1.00 0.00 H new ATOM 0 HG23 THR A 76 2.679 17.019 -0.619 1.00 0.00 H new ATOM 1153 N HIS A 77 -1.086 15.154 -0.583 1.00 0.00 N ATOM 1154 CA HIS A 77 -2.405 15.569 -1.046 1.00 0.00 C ATOM 1155 C HIS A 77 -3.484 14.616 -0.540 1.00 0.00 C ATOM 1156 O HIS A 77 -4.663 14.965 -0.496 1.00 0.00 O ATOM 1157 CB HIS A 77 -2.437 15.630 -2.574 1.00 0.00 C ATOM 1158 CG HIS A 77 -1.535 14.631 -3.231 1.00 0.00 C ATOM 1159 ND1 HIS A 77 -0.739 14.936 -4.315 1.00 0.00 N ATOM 1160 CD2 HIS A 77 -1.304 13.327 -2.951 1.00 0.00 C ATOM 1161 CE1 HIS A 77 -0.059 13.862 -4.675 1.00 0.00 C ATOM 1162 NE2 HIS A 77 -0.383 12.872 -3.863 1.00 0.00 N ATOM 0 H HIS A 77 -0.749 14.284 -0.995 1.00 0.00 H new ATOM 0 HA HIS A 77 -2.607 16.563 -0.646 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -3.459 15.464 -2.915 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -2.152 16.632 -2.896 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -1.759 12.752 -2.158 1.00 0.00 H new ATOM 0 HE1 HIS A 77 0.643 13.804 -5.494 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -0.010 11.924 -3.906 1.00 0.00 H new ATOM 1171 N ALA A 78 -3.071 13.411 -0.160 1.00 0.00 N ATOM 1172 CA ALA A 78 -4.002 12.409 0.343 1.00 0.00 C ATOM 1173 C ALA A 78 -4.217 12.564 1.845 1.00 0.00 C ATOM 1174 O ALA A 78 -5.216 12.096 2.390 1.00 0.00 O ATOM 1175 CB ALA A 78 -3.495 11.010 0.023 1.00 0.00 C ATOM 0 H ALA A 78 -2.098 13.106 -0.191 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.961 12.559 -0.153 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -4.200 10.271 0.404 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.399 10.896 -1.057 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.523 10.859 0.492 1.00 0.00 H new ATOM 1181 N ASP A 79 -3.273 13.224 2.508 1.00 0.00 N ATOM 1182 CA ASP A 79 -3.359 13.441 3.947 1.00 0.00 C ATOM 1183 C ASP A 79 -3.646 12.133 4.678 1.00 0.00 C ATOM 1184 O ASP A 79 -4.367 12.113 5.676 1.00 0.00 O ATOM 1185 CB ASP A 79 -4.448 14.467 4.265 1.00 0.00 C ATOM 1186 CG ASP A 79 -4.188 15.204 5.564 1.00 0.00 C ATOM 1187 OD1 ASP A 79 -3.758 14.553 6.539 1.00 0.00 O ATOM 1188 OD2 ASP A 79 -4.415 16.431 5.605 1.00 0.00 O ATOM 0 H ASP A 79 -2.440 13.618 2.071 1.00 0.00 H new ATOM 0 HA ASP A 79 -2.398 13.824 4.290 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -4.514 15.187 3.449 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -5.412 13.962 4.324 1.00 0.00 H new ATOM 1193 N CYS A 80 -3.078 11.043 4.174 1.00 0.00 N ATOM 1194 CA CYS A 80 -3.273 9.730 4.778 1.00 0.00 C ATOM 1195 C CYS A 80 -2.520 9.622 6.100 1.00 0.00 C ATOM 1196 O CYS A 80 -1.388 10.086 6.238 1.00 0.00 O ATOM 1197 CB CYS A 80 -2.809 8.631 3.821 1.00 0.00 C ATOM 1198 SG CYS A 80 -2.672 6.997 4.584 1.00 0.00 S ATOM 0 H CYS A 80 -2.479 11.043 3.349 1.00 0.00 H new ATOM 0 HA CYS A 80 -4.337 9.603 4.976 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -3.507 8.573 2.986 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -1.840 8.910 3.408 1.00 0.00 H new ATOM 0 HG CYS A 80 -1.513 6.482 4.301 1.00 0.00 H new ATOM 1204 N PRO A 81 -3.162 8.995 7.097 1.00 0.00 N ATOM 1205 CA PRO A 81 -2.572 8.812 8.426 1.00 0.00 C ATOM 1206 C PRO A 81 -1.415 7.819 8.415 1.00 0.00 C ATOM 1207 O PRO A 81 -1.464 6.803 7.722 1.00 0.00 O ATOM 1208 CB PRO A 81 -3.735 8.268 9.259 1.00 0.00 C ATOM 1209 CG PRO A 81 -4.636 7.614 8.270 1.00 0.00 C ATOM 1210 CD PRO A 81 -4.513 8.416 7.004 1.00 0.00 C ATOM 0 HA PRO A 81 -2.148 9.738 8.814 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -3.387 7.557 10.008 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -4.248 9.068 9.793 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -4.346 6.576 8.104 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -5.666 7.604 8.627 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -4.621 7.789 6.119 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -5.278 9.190 6.942 1.00 0.00 H new ATOM 1218 N GLN A 82 -0.376 8.119 9.188 1.00 0.00 N ATOM 1219 CA GLN A 82 0.793 7.251 9.266 1.00 0.00 C ATOM 1220 C GLN A 82 0.664 6.266 10.423 1.00 0.00 C ATOM 1221 O GLN A 82 1.183 6.502 11.515 1.00 0.00 O ATOM 1222 CB GLN A 82 2.064 8.086 9.431 1.00 0.00 C ATOM 1223 CG GLN A 82 2.235 9.152 8.362 1.00 0.00 C ATOM 1224 CD GLN A 82 2.342 8.568 6.967 1.00 0.00 C ATOM 1225 OE1 GLN A 82 2.266 7.353 6.783 1.00 0.00 O ATOM 1226 NE2 GLN A 82 2.519 9.432 5.974 1.00 0.00 N ATOM 0 H GLN A 82 -0.320 8.956 9.769 1.00 0.00 H new ATOM 0 HA GLN A 82 0.856 6.685 8.337 1.00 0.00 H new ATOM 0 HB2 GLN A 82 2.050 8.564 10.410 1.00 0.00 H new ATOM 0 HB3 GLN A 82 2.929 7.423 9.413 1.00 0.00 H new ATOM 0 HG2 GLN A 82 1.389 9.839 8.400 1.00 0.00 H new ATOM 0 HG3 GLN A 82 3.130 9.736 8.577 1.00 0.00 H new ATOM 0 HE21 GLN A 82 2.576 10.431 6.171 1.00 0.00 H new ATOM 0 HE22 GLN A 82 2.597 9.096 5.014 1.00 0.00 H new ATOM 1235 N LEU A 83 -0.032 5.161 10.178 1.00 0.00 N ATOM 1236 CA LEU A 83 -0.230 4.139 11.200 1.00 0.00 C ATOM 1237 C LEU A 83 1.053 3.349 11.436 1.00 0.00 C ATOM 1238 O LEU A 83 1.555 3.281 12.559 1.00 0.00 O ATOM 1239 CB LEU A 83 -1.358 3.191 10.789 1.00 0.00 C ATOM 1240 CG LEU A 83 -2.593 3.845 10.170 1.00 0.00 C ATOM 1241 CD1 LEU A 83 -3.378 2.834 9.349 1.00 0.00 C ATOM 1242 CD2 LEU A 83 -3.473 4.455 11.252 1.00 0.00 C ATOM 0 H LEU A 83 -0.469 4.950 9.281 1.00 0.00 H new ATOM 0 HA LEU A 83 -0.503 4.638 12.130 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -0.958 2.470 10.076 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.672 2.629 11.669 1.00 0.00 H new ATOM 0 HG LEU A 83 -2.263 4.643 9.506 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -4.254 3.318 8.916 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -2.746 2.445 8.550 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -3.697 2.013 9.991 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -4.347 4.916 10.793 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -3.794 3.675 11.942 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -2.908 5.211 11.797 1.00 0.00 H new ATOM 1254 N LEU A 84 1.581 2.756 10.372 1.00 0.00 N ATOM 1255 CA LEU A 84 2.808 1.972 10.462 1.00 0.00 C ATOM 1256 C LEU A 84 3.955 2.818 11.007 1.00 0.00 C ATOM 1257 O LEU A 84 4.016 4.024 10.771 1.00 0.00 O ATOM 1258 CB LEU A 84 3.181 1.411 9.089 1.00 0.00 C ATOM 1259 CG LEU A 84 2.077 0.651 8.353 1.00 0.00 C ATOM 1260 CD1 LEU A 84 2.358 0.615 6.859 1.00 0.00 C ATOM 1261 CD2 LEU A 84 1.941 -0.761 8.905 1.00 0.00 C ATOM 0 H LEU A 84 1.179 2.803 9.436 1.00 0.00 H new ATOM 0 HA LEU A 84 2.632 1.145 11.149 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.509 2.237 8.458 1.00 0.00 H new ATOM 0 HB3 LEU A 84 4.035 0.744 9.211 1.00 0.00 H new ATOM 0 HG LEU A 84 1.135 1.175 8.513 1.00 0.00 H new ATOM 0 HD11 LEU A 84 1.562 0.070 6.352 1.00 0.00 H new ATOM 0 HD12 LEU A 84 2.404 1.633 6.473 1.00 0.00 H new ATOM 0 HD13 LEU A 84 3.310 0.116 6.680 1.00 0.00 H new ATOM 0 HD21 LEU A 84 1.151 -1.287 8.369 1.00 0.00 H new ATOM 0 HD22 LEU A 84 2.883 -1.294 8.777 1.00 0.00 H new ATOM 0 HD23 LEU A 84 1.692 -0.715 9.965 1.00 0.00 H new ATOM 1273 N ASP A 85 4.863 2.176 11.734 1.00 0.00 N ATOM 1274 CA ASP A 85 6.010 2.867 12.309 1.00 0.00 C ATOM 1275 C ASP A 85 7.299 2.466 11.599 1.00 0.00 C ATOM 1276 O ASP A 85 7.969 1.512 11.996 1.00 0.00 O ATOM 1277 CB ASP A 85 6.121 2.562 13.804 1.00 0.00 C ATOM 1278 CG ASP A 85 5.065 3.281 14.621 1.00 0.00 C ATOM 1279 OD1 ASP A 85 4.600 4.352 14.179 1.00 0.00 O ATOM 1280 OD2 ASP A 85 4.704 2.771 15.702 1.00 0.00 O ATOM 0 H ASP A 85 4.826 1.177 11.939 1.00 0.00 H new ATOM 0 HA ASP A 85 5.861 3.938 12.175 1.00 0.00 H new ATOM 0 HB2 ASP A 85 6.028 1.487 13.961 1.00 0.00 H new ATOM 0 HB3 ASP A 85 7.110 2.852 14.159 1.00 0.00 H new ATOM 1285 N THR A 86 7.641 3.200 10.544 1.00 0.00 N ATOM 1286 CA THR A 86 8.848 2.919 9.777 1.00 0.00 C ATOM 1287 C THR A 86 9.992 2.491 10.688 1.00 0.00 C ATOM 1288 O THR A 86 10.654 1.485 10.437 1.00 0.00 O ATOM 1289 CB THR A 86 9.291 4.146 8.958 1.00 0.00 C ATOM 1290 OG1 THR A 86 8.151 4.774 8.360 1.00 0.00 O ATOM 1291 CG2 THR A 86 10.281 3.745 7.875 1.00 0.00 C ATOM 0 H THR A 86 7.099 3.993 10.202 1.00 0.00 H new ATOM 0 HA THR A 86 8.606 2.104 9.095 1.00 0.00 H new ATOM 0 HB THR A 86 9.780 4.848 9.633 1.00 0.00 H new ATOM 0 HG1 THR A 86 8.441 5.554 7.842 1.00 0.00 H new ATOM 0 HG21 THR A 86 10.579 4.628 7.310 1.00 0.00 H new ATOM 0 HG22 THR A 86 11.160 3.294 8.335 1.00 0.00 H new ATOM 0 HG23 THR A 86 9.814 3.025 7.203 1.00 0.00 H new ATOM 1299 N GLU A 87 10.219 3.261 11.748 1.00 0.00 N ATOM 1300 CA GLU A 87 11.284 2.960 12.697 1.00 0.00 C ATOM 1301 C GLU A 87 11.234 1.496 13.124 1.00 0.00 C ATOM 1302 O GLU A 87 12.262 0.821 13.187 1.00 0.00 O ATOM 1303 CB GLU A 87 11.174 3.865 13.926 1.00 0.00 C ATOM 1304 CG GLU A 87 11.757 5.252 13.714 1.00 0.00 C ATOM 1305 CD GLU A 87 11.886 6.034 15.007 1.00 0.00 C ATOM 1306 OE1 GLU A 87 12.921 5.887 15.690 1.00 0.00 O ATOM 1307 OE2 GLU A 87 10.951 6.794 15.336 1.00 0.00 O ATOM 0 H GLU A 87 9.680 4.098 11.971 1.00 0.00 H new ATOM 0 HA GLU A 87 12.238 3.145 12.203 1.00 0.00 H new ATOM 0 HB2 GLU A 87 10.124 3.960 14.204 1.00 0.00 H new ATOM 0 HB3 GLU A 87 11.684 3.390 14.764 1.00 0.00 H new ATOM 0 HG2 GLU A 87 12.738 5.162 13.248 1.00 0.00 H new ATOM 0 HG3 GLU A 87 11.125 5.806 13.020 1.00 0.00 H new ATOM 1314 N ASP A 88 10.032 1.012 13.416 1.00 0.00 N ATOM 1315 CA ASP A 88 9.847 -0.372 13.837 1.00 0.00 C ATOM 1316 C ASP A 88 9.864 -1.312 12.636 1.00 0.00 C ATOM 1317 O ASP A 88 10.282 -2.465 12.743 1.00 0.00 O ATOM 1318 CB ASP A 88 8.530 -0.524 14.601 1.00 0.00 C ATOM 1319 CG ASP A 88 8.435 0.420 15.784 1.00 0.00 C ATOM 1320 OD1 ASP A 88 9.478 0.683 16.418 1.00 0.00 O ATOM 1321 OD2 ASP A 88 7.318 0.895 16.074 1.00 0.00 O ATOM 0 H ASP A 88 9.171 1.557 13.369 1.00 0.00 H new ATOM 0 HA ASP A 88 10.673 -0.639 14.496 1.00 0.00 H new ATOM 0 HB2 ASP A 88 7.697 -0.338 13.923 1.00 0.00 H new ATOM 0 HB3 ASP A 88 8.433 -1.552 14.951 1.00 0.00 H new ATOM 1326 N MET A 89 9.405 -0.812 11.493 1.00 0.00 N ATOM 1327 CA MET A 89 9.368 -1.608 10.272 1.00 0.00 C ATOM 1328 C MET A 89 10.772 -2.045 9.864 1.00 0.00 C ATOM 1329 O MET A 89 10.993 -3.202 9.508 1.00 0.00 O ATOM 1330 CB MET A 89 8.720 -0.811 9.138 1.00 0.00 C ATOM 1331 CG MET A 89 7.320 -0.318 9.465 1.00 0.00 C ATOM 1332 SD MET A 89 6.358 0.071 7.990 1.00 0.00 S ATOM 1333 CE MET A 89 5.621 -1.522 7.636 1.00 0.00 C ATOM 0 H MET A 89 9.054 0.140 11.387 1.00 0.00 H new ATOM 0 HA MET A 89 8.772 -2.499 10.467 1.00 0.00 H new ATOM 0 HB2 MET A 89 9.351 0.045 8.900 1.00 0.00 H new ATOM 0 HB3 MET A 89 8.678 -1.434 8.245 1.00 0.00 H new ATOM 0 HG2 MET A 89 6.797 -1.079 10.045 1.00 0.00 H new ATOM 0 HG3 MET A 89 7.389 0.570 10.093 1.00 0.00 H new ATOM 0 HE1 MET A 89 4.850 -1.405 6.875 1.00 0.00 H new ATOM 0 HE2 MET A 89 6.389 -2.205 7.273 1.00 0.00 H new ATOM 0 HE3 MET A 89 5.176 -1.927 8.545 1.00 0.00 H new ATOM 1343 N VAL A 90 11.716 -1.111 9.919 1.00 0.00 N ATOM 1344 CA VAL A 90 13.099 -1.400 9.556 1.00 0.00 C ATOM 1345 C VAL A 90 13.641 -2.580 10.355 1.00 0.00 C ATOM 1346 O VAL A 90 13.863 -3.662 9.810 1.00 0.00 O ATOM 1347 CB VAL A 90 14.007 -0.178 9.787 1.00 0.00 C ATOM 1348 CG1 VAL A 90 15.470 -0.592 9.790 1.00 0.00 C ATOM 1349 CG2 VAL A 90 13.747 0.885 8.730 1.00 0.00 C ATOM 0 H VAL A 90 11.549 -0.148 10.211 1.00 0.00 H new ATOM 0 HA VAL A 90 13.102 -1.650 8.495 1.00 0.00 H new ATOM 0 HB VAL A 90 13.773 0.247 10.763 1.00 0.00 H new ATOM 0 HG11 VAL A 90 16.096 0.285 9.955 1.00 0.00 H new ATOM 0 HG12 VAL A 90 15.642 -1.315 10.587 1.00 0.00 H new ATOM 0 HG13 VAL A 90 15.722 -1.043 8.830 1.00 0.00 H new ATOM 0 HG21 VAL A 90 14.397 1.742 8.908 1.00 0.00 H new ATOM 0 HG22 VAL A 90 13.952 0.473 7.742 1.00 0.00 H new ATOM 0 HG23 VAL A 90 12.706 1.203 8.782 1.00 0.00 H new ATOM 1359 N ARG A 91 13.852 -2.365 11.649 1.00 0.00 N ATOM 1360 CA ARG A 91 14.369 -3.410 12.524 1.00 0.00 C ATOM 1361 C ARG A 91 13.634 -4.727 12.291 1.00 0.00 C ATOM 1362 O ARG A 91 14.252 -5.788 12.200 1.00 0.00 O ATOM 1363 CB ARG A 91 14.236 -2.992 13.989 1.00 0.00 C ATOM 1364 CG ARG A 91 12.877 -2.404 14.333 1.00 0.00 C ATOM 1365 CD ARG A 91 12.773 -2.071 15.813 1.00 0.00 C ATOM 1366 NE ARG A 91 11.401 -2.178 16.303 1.00 0.00 N ATOM 1367 CZ ARG A 91 10.820 -3.330 16.617 1.00 0.00 C ATOM 1368 NH1 ARG A 91 11.488 -4.468 16.493 1.00 0.00 N ATOM 1369 NH2 ARG A 91 9.568 -3.345 17.056 1.00 0.00 N ATOM 0 H ARG A 91 13.673 -1.476 12.115 1.00 0.00 H new ATOM 0 HA ARG A 91 15.424 -3.555 12.290 1.00 0.00 H new ATOM 0 HB2 ARG A 91 14.419 -3.859 14.624 1.00 0.00 H new ATOM 0 HB3 ARG A 91 15.009 -2.259 14.221 1.00 0.00 H new ATOM 0 HG2 ARG A 91 12.709 -1.503 13.743 1.00 0.00 H new ATOM 0 HG3 ARG A 91 12.094 -3.112 14.062 1.00 0.00 H new ATOM 0 HD2 ARG A 91 13.415 -2.744 16.382 1.00 0.00 H new ATOM 0 HD3 ARG A 91 13.141 -1.059 15.984 1.00 0.00 H new ATOM 0 HE ARG A 91 10.859 -1.320 16.410 1.00 0.00 H new ATOM 0 HH11 ARG A 91 12.451 -4.460 16.156 1.00 0.00 H new ATOM 0 HH12 ARG A 91 11.039 -5.352 16.735 1.00 0.00 H new ATOM 0 HH21 ARG A 91 9.051 -2.471 17.153 1.00 0.00 H new ATOM 0 HH22 ARG A 91 9.123 -4.230 17.297 1.00 0.00 H new ATOM 1383 N LEU A 92 12.311 -4.651 12.196 1.00 0.00 N ATOM 1384 CA LEU A 92 11.490 -5.836 11.974 1.00 0.00 C ATOM 1385 C LEU A 92 11.669 -6.365 10.554 1.00 0.00 C ATOM 1386 O LEU A 92 11.239 -5.734 9.588 1.00 0.00 O ATOM 1387 CB LEU A 92 10.016 -5.515 12.229 1.00 0.00 C ATOM 1388 CG LEU A 92 9.658 -5.090 13.653 1.00 0.00 C ATOM 1389 CD1 LEU A 92 8.324 -4.360 13.673 1.00 0.00 C ATOM 1390 CD2 LEU A 92 9.621 -6.298 14.577 1.00 0.00 C ATOM 0 H LEU A 92 11.784 -3.781 12.269 1.00 0.00 H new ATOM 0 HA LEU A 92 11.814 -6.608 12.673 1.00 0.00 H new ATOM 0 HB2 LEU A 92 9.715 -4.719 11.547 1.00 0.00 H new ATOM 0 HB3 LEU A 92 9.424 -6.394 11.974 1.00 0.00 H new ATOM 0 HG LEU A 92 10.428 -4.407 14.012 1.00 0.00 H new ATOM 0 HD11 LEU A 92 8.086 -4.065 14.695 1.00 0.00 H new ATOM 0 HD12 LEU A 92 8.386 -3.472 13.044 1.00 0.00 H new ATOM 0 HD13 LEU A 92 7.543 -5.019 13.294 1.00 0.00 H new ATOM 0 HD21 LEU A 92 9.365 -5.976 15.586 1.00 0.00 H new ATOM 0 HD22 LEU A 92 8.873 -7.006 14.221 1.00 0.00 H new ATOM 0 HD23 LEU A 92 10.599 -6.779 14.587 1.00 0.00 H new ATOM 1402 N ARG A 93 12.304 -7.526 10.437 1.00 0.00 N ATOM 1403 CA ARG A 93 12.539 -8.140 9.135 1.00 0.00 C ATOM 1404 C ARG A 93 11.276 -8.101 8.280 1.00 0.00 C ATOM 1405 O ARG A 93 11.346 -7.958 7.060 1.00 0.00 O ATOM 1406 CB ARG A 93 13.007 -9.586 9.307 1.00 0.00 C ATOM 1407 CG ARG A 93 13.400 -10.258 8.001 1.00 0.00 C ATOM 1408 CD ARG A 93 14.820 -9.896 7.594 1.00 0.00 C ATOM 1409 NE ARG A 93 14.890 -8.582 6.962 1.00 0.00 N ATOM 1410 CZ ARG A 93 15.996 -8.085 6.419 1.00 0.00 C ATOM 1411 NH1 ARG A 93 17.119 -8.790 6.431 1.00 0.00 N ATOM 1412 NH2 ARG A 93 15.980 -6.881 5.862 1.00 0.00 N ATOM 0 H ARG A 93 12.665 -8.061 11.227 1.00 0.00 H new ATOM 0 HA ARG A 93 13.318 -7.571 8.628 1.00 0.00 H new ATOM 0 HB2 ARG A 93 13.859 -9.605 9.986 1.00 0.00 H new ATOM 0 HB3 ARG A 93 12.211 -10.163 9.778 1.00 0.00 H new ATOM 0 HG2 ARG A 93 13.315 -11.340 8.107 1.00 0.00 H new ATOM 0 HG3 ARG A 93 12.707 -9.960 7.214 1.00 0.00 H new ATOM 0 HD2 ARG A 93 15.464 -9.910 8.473 1.00 0.00 H new ATOM 0 HD3 ARG A 93 15.203 -10.650 6.906 1.00 0.00 H new ATOM 0 HE ARG A 93 14.043 -8.014 6.936 1.00 0.00 H new ATOM 0 HH11 ARG A 93 17.135 -9.716 6.858 1.00 0.00 H new ATOM 0 HH12 ARG A 93 17.967 -8.406 6.013 1.00 0.00 H new ATOM 0 HH21 ARG A 93 15.118 -6.336 5.850 1.00 0.00 H new ATOM 0 HH22 ARG A 93 16.830 -6.500 5.445 1.00 0.00 H new ATOM 1426 N GLU A 94 10.123 -8.229 8.929 1.00 0.00 N ATOM 1427 CA GLU A 94 8.846 -8.210 8.227 1.00 0.00 C ATOM 1428 C GLU A 94 7.796 -7.444 9.028 1.00 0.00 C ATOM 1429 O GLU A 94 7.740 -7.518 10.256 1.00 0.00 O ATOM 1430 CB GLU A 94 8.361 -9.637 7.964 1.00 0.00 C ATOM 1431 CG GLU A 94 9.428 -10.543 7.371 1.00 0.00 C ATOM 1432 CD GLU A 94 10.306 -11.180 8.430 1.00 0.00 C ATOM 1433 OE1 GLU A 94 10.076 -10.919 9.629 1.00 0.00 O ATOM 1434 OE2 GLU A 94 11.224 -11.942 8.059 1.00 0.00 O ATOM 0 H GLU A 94 10.047 -8.347 9.939 1.00 0.00 H new ATOM 0 HA GLU A 94 8.993 -7.703 7.274 1.00 0.00 H new ATOM 0 HB2 GLU A 94 8.008 -10.070 8.900 1.00 0.00 H new ATOM 0 HB3 GLU A 94 7.508 -9.603 7.287 1.00 0.00 H new ATOM 0 HG2 GLU A 94 8.949 -11.326 6.783 1.00 0.00 H new ATOM 0 HG3 GLU A 94 10.050 -9.966 6.687 1.00 0.00 H new ATOM 1441 N PRO A 95 6.944 -6.690 8.318 1.00 0.00 N ATOM 1442 CA PRO A 95 5.881 -5.896 8.941 1.00 0.00 C ATOM 1443 C PRO A 95 4.775 -6.767 9.527 1.00 0.00 C ATOM 1444 O PRO A 95 4.763 -7.983 9.337 1.00 0.00 O ATOM 1445 CB PRO A 95 5.341 -5.055 7.782 1.00 0.00 C ATOM 1446 CG PRO A 95 5.660 -5.845 6.559 1.00 0.00 C ATOM 1447 CD PRO A 95 6.953 -6.555 6.851 1.00 0.00 C ATOM 0 HA PRO A 95 6.251 -5.305 9.778 1.00 0.00 H new ATOM 0 HB2 PRO A 95 4.268 -4.891 7.878 1.00 0.00 H new ATOM 0 HB3 PRO A 95 5.812 -4.073 7.753 1.00 0.00 H new ATOM 0 HG2 PRO A 95 4.865 -6.557 6.336 1.00 0.00 H new ATOM 0 HG3 PRO A 95 5.759 -5.195 5.689 1.00 0.00 H new ATOM 0 HD2 PRO A 95 6.998 -7.526 6.358 1.00 0.00 H new ATOM 0 HD3 PRO A 95 7.813 -5.982 6.505 1.00 0.00 H new ATOM 1455 N ASP A 96 3.848 -6.137 10.240 1.00 0.00 N ATOM 1456 CA ASP A 96 2.737 -6.854 10.853 1.00 0.00 C ATOM 1457 C ASP A 96 1.501 -6.809 9.960 1.00 0.00 C ATOM 1458 O ASP A 96 0.800 -5.798 9.904 1.00 0.00 O ATOM 1459 CB ASP A 96 2.412 -6.259 12.224 1.00 0.00 C ATOM 1460 CG ASP A 96 3.196 -6.918 13.342 1.00 0.00 C ATOM 1461 OD1 ASP A 96 3.100 -8.156 13.485 1.00 0.00 O ATOM 1462 OD2 ASP A 96 3.906 -6.197 14.073 1.00 0.00 O ATOM 0 H ASP A 96 3.844 -5.131 10.408 1.00 0.00 H new ATOM 0 HA ASP A 96 3.035 -7.895 10.978 1.00 0.00 H new ATOM 0 HB2 ASP A 96 2.628 -5.191 12.214 1.00 0.00 H new ATOM 0 HB3 ASP A 96 1.345 -6.367 12.420 1.00 0.00 H new ATOM 1467 N TRP A 97 1.241 -7.908 9.262 1.00 0.00 N ATOM 1468 CA TRP A 97 0.091 -7.993 8.369 1.00 0.00 C ATOM 1469 C TRP A 97 -1.099 -7.229 8.941 1.00 0.00 C ATOM 1470 O TRP A 97 -1.666 -6.358 8.281 1.00 0.00 O ATOM 1471 CB TRP A 97 -0.291 -9.455 8.134 1.00 0.00 C ATOM 1472 CG TRP A 97 -0.543 -10.215 9.401 1.00 0.00 C ATOM 1473 CD1 TRP A 97 0.392 -10.812 10.197 1.00 0.00 C ATOM 1474 CD2 TRP A 97 -1.812 -10.460 10.016 1.00 0.00 C ATOM 1475 NE1 TRP A 97 -0.220 -11.414 11.271 1.00 0.00 N ATOM 1476 CE2 TRP A 97 -1.572 -11.211 11.183 1.00 0.00 C ATOM 1477 CE3 TRP A 97 -3.128 -10.115 9.696 1.00 0.00 C ATOM 1478 CZ2 TRP A 97 -2.599 -11.624 12.027 1.00 0.00 C ATOM 1479 CZ3 TRP A 97 -4.147 -10.526 10.535 1.00 0.00 C ATOM 1480 CH2 TRP A 97 -3.878 -11.273 11.689 1.00 0.00 C ATOM 0 H TRP A 97 1.811 -8.753 9.297 1.00 0.00 H new ATOM 0 HA TRP A 97 0.367 -7.540 7.417 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -1.185 -9.494 7.512 1.00 0.00 H new ATOM 0 HB3 TRP A 97 0.507 -9.946 7.577 1.00 0.00 H new ATOM 0 HD1 TRP A 97 1.456 -10.811 10.010 1.00 0.00 H new ATOM 0 HE1 TRP A 97 0.255 -11.928 12.013 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -3.345 -9.538 8.809 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -2.394 -12.201 12.917 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -5.168 -10.267 10.297 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -4.696 -11.578 12.325 1.00 0.00 H new ATOM 1491 N LYS A 98 -1.473 -7.560 10.172 1.00 0.00 N ATOM 1492 CA LYS A 98 -2.594 -6.905 10.834 1.00 0.00 C ATOM 1493 C LYS A 98 -2.623 -5.415 10.509 1.00 0.00 C ATOM 1494 O LYS A 98 -3.668 -4.866 10.158 1.00 0.00 O ATOM 1495 CB LYS A 98 -2.507 -7.106 12.349 1.00 0.00 C ATOM 1496 CG LYS A 98 -2.549 -8.564 12.773 1.00 0.00 C ATOM 1497 CD LYS A 98 -2.743 -8.703 14.273 1.00 0.00 C ATOM 1498 CE LYS A 98 -2.304 -10.073 14.767 1.00 0.00 C ATOM 1499 NZ LYS A 98 -2.275 -10.143 16.254 1.00 0.00 N ATOM 0 H LYS A 98 -1.015 -8.279 10.732 1.00 0.00 H new ATOM 0 HA LYS A 98 -3.515 -7.357 10.466 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -1.583 -6.657 12.714 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -3.330 -6.574 12.825 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -3.360 -9.072 12.252 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -1.622 -9.057 12.478 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -2.173 -7.930 14.788 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -3.792 -8.544 14.522 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -2.983 -10.833 14.381 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -1.313 -10.301 14.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -1.971 -11.092 16.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -1.608 -9.435 16.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -3.226 -9.951 16.629 1.00 0.00 H new ATOM 1513 N CYS A 99 -1.469 -4.767 10.626 1.00 0.00 N ATOM 1514 CA CYS A 99 -1.362 -3.339 10.343 1.00 0.00 C ATOM 1515 C CYS A 99 -1.415 -3.077 8.842 1.00 0.00 C ATOM 1516 O CYS A 99 -2.299 -2.371 8.355 1.00 0.00 O ATOM 1517 CB CYS A 99 -0.064 -2.779 10.926 1.00 0.00 C ATOM 1518 SG CYS A 99 0.144 -3.085 12.696 1.00 0.00 S ATOM 0 H CYS A 99 -0.595 -5.207 10.914 1.00 0.00 H new ATOM 0 HA CYS A 99 -2.208 -2.836 10.811 1.00 0.00 H new ATOM 0 HB2 CYS A 99 0.780 -3.215 10.391 1.00 0.00 H new ATOM 0 HB3 CYS A 99 -0.033 -1.704 10.748 1.00 0.00 H new ATOM 0 HG CYS A 99 1.272 -2.576 13.095 1.00 0.00 H new ATOM 1524 N VAL A 100 -0.463 -3.649 8.112 1.00 0.00 N ATOM 1525 CA VAL A 100 -0.400 -3.477 6.666 1.00 0.00 C ATOM 1526 C VAL A 100 -1.797 -3.379 6.063 1.00 0.00 C ATOM 1527 O VAL A 100 -2.172 -2.349 5.501 1.00 0.00 O ATOM 1528 CB VAL A 100 0.356 -4.638 5.994 1.00 0.00 C ATOM 1529 CG1 VAL A 100 0.231 -4.552 4.481 1.00 0.00 C ATOM 1530 CG2 VAL A 100 1.817 -4.637 6.418 1.00 0.00 C ATOM 0 H VAL A 100 0.276 -4.236 8.499 1.00 0.00 H new ATOM 0 HA VAL A 100 0.139 -2.548 6.482 1.00 0.00 H new ATOM 0 HB VAL A 100 -0.092 -5.577 6.318 1.00 0.00 H new ATOM 0 HG11 VAL A 100 0.772 -5.381 4.024 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -0.821 -4.605 4.199 1.00 0.00 H new ATOM 0 HG13 VAL A 100 0.652 -3.608 4.134 1.00 0.00 H new ATOM 0 HG21 VAL A 100 2.337 -5.464 5.934 1.00 0.00 H new ATOM 0 HG22 VAL A 100 2.280 -3.695 6.124 1.00 0.00 H new ATOM 0 HG23 VAL A 100 1.882 -4.751 7.500 1.00 0.00 H new ATOM 1540 N TYR A 101 -2.565 -4.456 6.185 1.00 0.00 N ATOM 1541 CA TYR A 101 -3.921 -4.493 5.651 1.00 0.00 C ATOM 1542 C TYR A 101 -4.695 -3.238 6.042 1.00 0.00 C ATOM 1543 O TYR A 101 -5.468 -2.697 5.250 1.00 0.00 O ATOM 1544 CB TYR A 101 -4.656 -5.737 6.153 1.00 0.00 C ATOM 1545 CG TYR A 101 -6.148 -5.695 5.915 1.00 0.00 C ATOM 1546 CD1 TYR A 101 -6.971 -4.872 6.674 1.00 0.00 C ATOM 1547 CD2 TYR A 101 -6.736 -6.479 4.930 1.00 0.00 C ATOM 1548 CE1 TYR A 101 -8.335 -4.832 6.461 1.00 0.00 C ATOM 1549 CE2 TYR A 101 -8.100 -6.444 4.708 1.00 0.00 C ATOM 1550 CZ TYR A 101 -8.894 -5.620 5.476 1.00 0.00 C ATOM 1551 OH TYR A 101 -10.253 -5.581 5.259 1.00 0.00 O ATOM 0 H TYR A 101 -2.271 -5.315 6.649 1.00 0.00 H new ATOM 0 HA TYR A 101 -3.855 -4.533 4.564 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -4.242 -6.617 5.660 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -4.470 -5.853 7.221 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -6.536 -4.252 7.444 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -6.117 -7.127 4.327 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -8.960 -4.188 7.062 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -8.541 -7.059 3.937 1.00 0.00 H new ATOM 0 HH TYR A 101 -10.595 -4.692 5.488 1.00 0.00 H new ATOM 1561 N THR A 102 -4.481 -2.778 7.271 1.00 0.00 N ATOM 1562 CA THR A 102 -5.158 -1.587 7.770 1.00 0.00 C ATOM 1563 C THR A 102 -4.854 -0.376 6.896 1.00 0.00 C ATOM 1564 O THR A 102 -5.765 0.283 6.393 1.00 0.00 O ATOM 1565 CB THR A 102 -4.747 -1.275 9.222 1.00 0.00 C ATOM 1566 OG1 THR A 102 -4.831 -2.460 10.020 1.00 0.00 O ATOM 1567 CG2 THR A 102 -5.638 -0.194 9.815 1.00 0.00 C ATOM 0 H THR A 102 -3.844 -3.212 7.939 1.00 0.00 H new ATOM 0 HA THR A 102 -6.228 -1.794 7.739 1.00 0.00 H new ATOM 0 HB THR A 102 -3.719 -0.914 9.216 1.00 0.00 H new ATOM 0 HG1 THR A 102 -4.090 -3.060 9.794 1.00 0.00 H new ATOM 0 HG21 THR A 102 -5.329 0.010 10.840 1.00 0.00 H new ATOM 0 HG22 THR A 102 -5.550 0.716 9.222 1.00 0.00 H new ATOM 0 HG23 THR A 102 -6.674 -0.532 9.808 1.00 0.00 H new ATOM 1575 N TYR A 103 -3.570 -0.087 6.719 1.00 0.00 N ATOM 1576 CA TYR A 103 -3.147 1.048 5.906 1.00 0.00 C ATOM 1577 C TYR A 103 -3.706 0.943 4.491 1.00 0.00 C ATOM 1578 O TYR A 103 -4.256 1.906 3.956 1.00 0.00 O ATOM 1579 CB TYR A 103 -1.620 1.127 5.859 1.00 0.00 C ATOM 1580 CG TYR A 103 -1.098 2.423 5.281 1.00 0.00 C ATOM 1581 CD1 TYR A 103 -0.875 2.556 3.916 1.00 0.00 C ATOM 1582 CD2 TYR A 103 -0.828 3.513 6.099 1.00 0.00 C ATOM 1583 CE1 TYR A 103 -0.398 3.738 3.383 1.00 0.00 C ATOM 1584 CE2 TYR A 103 -0.352 4.698 5.574 1.00 0.00 C ATOM 1585 CZ TYR A 103 -0.138 4.806 4.216 1.00 0.00 C ATOM 1586 OH TYR A 103 0.337 5.986 3.689 1.00 0.00 O ATOM 0 H TYR A 103 -2.804 -0.622 7.127 1.00 0.00 H new ATOM 0 HA TYR A 103 -3.537 1.957 6.364 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -1.227 1.005 6.868 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -1.240 0.295 5.266 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -1.078 1.722 3.261 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -0.993 3.432 7.163 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -0.230 3.825 2.320 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -0.148 5.536 6.224 1.00 0.00 H new ATOM 0 HH TYR A 103 0.467 6.637 4.410 1.00 0.00 H new ATOM 1596 N ILE A 104 -3.561 -0.234 3.890 1.00 0.00 N ATOM 1597 CA ILE A 104 -4.052 -0.466 2.538 1.00 0.00 C ATOM 1598 C ILE A 104 -5.531 -0.112 2.422 1.00 0.00 C ATOM 1599 O ILE A 104 -5.969 0.438 1.412 1.00 0.00 O ATOM 1600 CB ILE A 104 -3.852 -1.932 2.111 1.00 0.00 C ATOM 1601 CG1 ILE A 104 -2.362 -2.281 2.089 1.00 0.00 C ATOM 1602 CG2 ILE A 104 -4.478 -2.177 0.746 1.00 0.00 C ATOM 1603 CD1 ILE A 104 -1.620 -1.690 0.911 1.00 0.00 C ATOM 0 H ILE A 104 -3.108 -1.041 4.319 1.00 0.00 H new ATOM 0 HA ILE A 104 -3.473 0.179 1.877 1.00 0.00 H new ATOM 0 HB ILE A 104 -4.347 -2.577 2.837 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -1.901 -1.929 3.012 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -2.251 -3.365 2.071 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -4.328 -3.218 0.458 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -5.546 -1.963 0.792 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -4.009 -1.526 0.008 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -0.570 -1.978 0.960 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -2.055 -2.062 -0.017 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -1.699 -0.603 0.939 1.00 0.00 H new ATOM 1615 N GLN A 105 -6.293 -0.431 3.463 1.00 0.00 N ATOM 1616 CA GLN A 105 -7.723 -0.145 3.478 1.00 0.00 C ATOM 1617 C GLN A 105 -7.978 1.348 3.662 1.00 0.00 C ATOM 1618 O GLN A 105 -8.871 1.916 3.035 1.00 0.00 O ATOM 1619 CB GLN A 105 -8.411 -0.933 4.594 1.00 0.00 C ATOM 1620 CG GLN A 105 -9.861 -0.536 4.815 1.00 0.00 C ATOM 1621 CD GLN A 105 -10.534 -1.359 5.895 1.00 0.00 C ATOM 1622 OE1 GLN A 105 -10.214 -1.233 7.077 1.00 0.00 O ATOM 1623 NE2 GLN A 105 -11.473 -2.209 5.494 1.00 0.00 N ATOM 0 H GLN A 105 -5.945 -0.887 4.306 1.00 0.00 H new ATOM 0 HA GLN A 105 -8.139 -0.451 2.518 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -8.366 -1.996 4.357 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -7.858 -0.790 5.522 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -9.908 0.519 5.086 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -10.411 -0.650 3.881 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -11.707 -2.281 4.504 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -11.960 -2.790 6.176 1.00 0.00 H new ATOM 1632 N GLU A 106 -7.187 1.976 4.525 1.00 0.00 N ATOM 1633 CA GLU A 106 -7.329 3.403 4.792 1.00 0.00 C ATOM 1634 C GLU A 106 -7.137 4.217 3.515 1.00 0.00 C ATOM 1635 O GLU A 106 -8.032 4.948 3.092 1.00 0.00 O ATOM 1636 CB GLU A 106 -6.318 3.850 5.851 1.00 0.00 C ATOM 1637 CG GLU A 106 -6.574 5.250 6.383 1.00 0.00 C ATOM 1638 CD GLU A 106 -6.812 6.260 5.278 1.00 0.00 C ATOM 1639 OE1 GLU A 106 -5.886 6.487 4.472 1.00 0.00 O ATOM 1640 OE2 GLU A 106 -7.925 6.823 5.219 1.00 0.00 O ATOM 0 H GLU A 106 -6.442 1.520 5.051 1.00 0.00 H new ATOM 0 HA GLU A 106 -8.338 3.578 5.166 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -6.339 3.145 6.682 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -5.316 3.810 5.424 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -7.440 5.230 7.045 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -5.721 5.568 6.983 1.00 0.00 H new ATOM 1647 N PHE A 107 -5.963 4.084 2.906 1.00 0.00 N ATOM 1648 CA PHE A 107 -5.652 4.807 1.679 1.00 0.00 C ATOM 1649 C PHE A 107 -6.745 4.599 0.634 1.00 0.00 C ATOM 1650 O PHE A 107 -7.186 5.548 -0.016 1.00 0.00 O ATOM 1651 CB PHE A 107 -4.303 4.350 1.121 1.00 0.00 C ATOM 1652 CG PHE A 107 -3.622 5.388 0.274 1.00 0.00 C ATOM 1653 CD1 PHE A 107 -3.531 6.701 0.705 1.00 0.00 C ATOM 1654 CD2 PHE A 107 -3.074 5.049 -0.952 1.00 0.00 C ATOM 1655 CE1 PHE A 107 -2.905 7.659 -0.071 1.00 0.00 C ATOM 1656 CE2 PHE A 107 -2.446 6.002 -1.732 1.00 0.00 C ATOM 1657 CZ PHE A 107 -2.363 7.309 -1.292 1.00 0.00 C ATOM 0 H PHE A 107 -5.212 3.482 3.243 1.00 0.00 H new ATOM 0 HA PHE A 107 -5.598 5.870 1.916 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -3.648 4.082 1.950 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -4.451 3.448 0.527 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -3.954 6.980 1.659 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -3.138 4.029 -1.302 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -2.840 8.679 0.277 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -2.020 5.725 -2.685 1.00 0.00 H new ATOM 0 HZ PHE A 107 -1.875 8.055 -1.902 1.00 0.00 H new ATOM 1667 N TYR A 108 -7.176 3.353 0.477 1.00 0.00 N ATOM 1668 CA TYR A 108 -8.214 3.019 -0.491 1.00 0.00 C ATOM 1669 C TYR A 108 -9.431 3.923 -0.318 1.00 0.00 C ATOM 1670 O TYR A 108 -10.219 4.106 -1.246 1.00 0.00 O ATOM 1671 CB TYR A 108 -8.627 1.554 -0.341 1.00 0.00 C ATOM 1672 CG TYR A 108 -9.415 1.024 -1.519 1.00 0.00 C ATOM 1673 CD1 TYR A 108 -8.769 0.513 -2.638 1.00 0.00 C ATOM 1674 CD2 TYR A 108 -10.804 1.035 -1.512 1.00 0.00 C ATOM 1675 CE1 TYR A 108 -9.484 0.029 -3.716 1.00 0.00 C ATOM 1676 CE2 TYR A 108 -11.527 0.551 -2.585 1.00 0.00 C ATOM 1677 CZ TYR A 108 -10.862 0.049 -3.685 1.00 0.00 C ATOM 1678 OH TYR A 108 -11.579 -0.432 -4.756 1.00 0.00 O ATOM 0 H TYR A 108 -6.823 2.557 1.008 1.00 0.00 H new ATOM 0 HA TYR A 108 -7.808 3.175 -1.490 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -7.733 0.945 -0.209 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -9.224 1.444 0.564 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -7.690 0.494 -2.665 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -11.328 1.429 -0.653 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -8.966 -0.363 -4.579 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -12.607 0.565 -2.563 1.00 0.00 H new ATOM 0 HH TYR A 108 -12.538 -0.346 -4.573 1.00 0.00 H new ATOM 1688 N ARG A 109 -9.576 4.486 0.877 1.00 0.00 N ATOM 1689 CA ARG A 109 -10.696 5.371 1.173 1.00 0.00 C ATOM 1690 C ARG A 109 -10.400 6.795 0.714 1.00 0.00 C ATOM 1691 O ARG A 109 -11.310 7.545 0.358 1.00 0.00 O ATOM 1692 CB ARG A 109 -11.000 5.359 2.672 1.00 0.00 C ATOM 1693 CG ARG A 109 -12.232 6.166 3.050 1.00 0.00 C ATOM 1694 CD ARG A 109 -12.768 5.758 4.414 1.00 0.00 C ATOM 1695 NE ARG A 109 -14.194 6.042 4.548 1.00 0.00 N ATOM 1696 CZ ARG A 109 -14.801 6.222 5.716 1.00 0.00 C ATOM 1697 NH1 ARG A 109 -14.109 6.148 6.845 1.00 0.00 N ATOM 1698 NH2 ARG A 109 -16.102 6.478 5.757 1.00 0.00 N ATOM 0 H ARG A 109 -8.932 4.345 1.656 1.00 0.00 H new ATOM 0 HA ARG A 109 -11.568 5.007 0.629 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -11.137 4.328 2.998 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -10.139 5.752 3.212 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -11.985 7.228 3.058 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -13.007 6.024 2.296 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -12.594 4.693 4.568 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -12.218 6.287 5.193 1.00 0.00 H new ATOM 0 HE ARG A 109 -14.755 6.106 3.698 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -13.108 5.953 6.818 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -14.578 6.287 7.740 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -16.638 6.537 4.891 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -16.567 6.616 6.655 1.00 0.00 H new ATOM 1712 N CYS A 110 -9.124 7.162 0.725 1.00 0.00 N ATOM 1713 CA CYS A 110 -8.707 8.497 0.312 1.00 0.00 C ATOM 1714 C CYS A 110 -8.703 8.618 -1.209 1.00 0.00 C ATOM 1715 O CYS A 110 -9.177 9.610 -1.765 1.00 0.00 O ATOM 1716 CB CYS A 110 -7.318 8.815 0.865 1.00 0.00 C ATOM 1717 SG CYS A 110 -5.958 8.185 -0.147 1.00 0.00 S ATOM 0 H CYS A 110 -8.359 6.553 1.016 1.00 0.00 H new ATOM 0 HA CYS A 110 -9.422 9.215 0.714 1.00 0.00 H new ATOM 0 HB2 CYS A 110 -7.215 9.896 0.960 1.00 0.00 H new ATOM 0 HB3 CYS A 110 -7.234 8.397 1.868 1.00 0.00 H new ATOM 0 HG CYS A 110 -4.952 7.881 0.618 1.00 0.00 H new ATOM 1723 N LEU A 111 -8.163 7.605 -1.876 1.00 0.00 N ATOM 1724 CA LEU A 111 -8.095 7.598 -3.333 1.00 0.00 C ATOM 1725 C LEU A 111 -9.486 7.733 -3.944 1.00 0.00 C ATOM 1726 O LEU A 111 -9.693 8.511 -4.875 1.00 0.00 O ATOM 1727 CB LEU A 111 -7.432 6.310 -3.826 1.00 0.00 C ATOM 1728 CG LEU A 111 -6.045 6.008 -3.256 1.00 0.00 C ATOM 1729 CD1 LEU A 111 -5.575 4.631 -3.698 1.00 0.00 C ATOM 1730 CD2 LEU A 111 -5.049 7.076 -3.683 1.00 0.00 C ATOM 0 H LEU A 111 -7.766 6.777 -1.431 1.00 0.00 H new ATOM 0 HA LEU A 111 -7.496 8.452 -3.648 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -8.090 5.473 -3.590 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -7.354 6.358 -4.912 1.00 0.00 H new ATOM 0 HG LEU A 111 -6.111 6.015 -2.168 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -4.587 4.433 -3.283 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -6.276 3.876 -3.342 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -5.525 4.595 -4.786 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -4.068 6.845 -3.268 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -4.987 7.101 -4.771 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -5.378 8.048 -3.316 1.00 0.00 H new ATOM 1742 N VAL A 112 -10.436 6.971 -3.413 1.00 0.00 N ATOM 1743 CA VAL A 112 -11.809 7.009 -3.903 1.00 0.00 C ATOM 1744 C VAL A 112 -12.340 8.437 -3.942 1.00 0.00 C ATOM 1745 O VAL A 112 -12.944 8.858 -4.928 1.00 0.00 O ATOM 1746 CB VAL A 112 -12.741 6.149 -3.028 1.00 0.00 C ATOM 1747 CG1 VAL A 112 -14.198 6.451 -3.344 1.00 0.00 C ATOM 1748 CG2 VAL A 112 -12.440 4.671 -3.222 1.00 0.00 C ATOM 0 H VAL A 112 -10.281 6.320 -2.644 1.00 0.00 H new ATOM 0 HA VAL A 112 -11.795 6.603 -4.914 1.00 0.00 H new ATOM 0 HB VAL A 112 -12.562 6.398 -1.982 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -14.842 5.834 -2.717 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -14.402 7.504 -3.149 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -14.396 6.231 -4.393 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -13.108 4.079 -2.596 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -12.590 4.403 -4.268 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -11.406 4.470 -2.941 1.00 0.00 H new ATOM 1758 N GLN A 113 -12.110 9.177 -2.862 1.00 0.00 N ATOM 1759 CA GLN A 113 -12.566 10.560 -2.773 1.00 0.00 C ATOM 1760 C GLN A 113 -11.989 11.398 -3.909 1.00 0.00 C ATOM 1761 O GLN A 113 -12.728 12.016 -4.676 1.00 0.00 O ATOM 1762 CB GLN A 113 -12.169 11.164 -1.425 1.00 0.00 C ATOM 1763 CG GLN A 113 -13.008 10.659 -0.262 1.00 0.00 C ATOM 1764 CD GLN A 113 -13.101 11.664 0.869 1.00 0.00 C ATOM 1765 OE1 GLN A 113 -12.119 11.927 1.564 1.00 0.00 O ATOM 1766 NE2 GLN A 113 -14.285 12.233 1.060 1.00 0.00 N ATOM 0 H GLN A 113 -11.611 8.843 -2.037 1.00 0.00 H new ATOM 0 HA GLN A 113 -13.653 10.564 -2.859 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -11.120 10.939 -1.230 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -12.257 12.249 -1.482 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -14.011 10.424 -0.618 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -12.578 9.731 0.116 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -15.072 11.986 0.460 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -14.407 12.917 1.806 1.00 0.00 H new ATOM 1775 N LYS A 114 -10.665 11.414 -4.012 1.00 0.00 N ATOM 1776 CA LYS A 114 -9.987 12.175 -5.054 1.00 0.00 C ATOM 1777 C LYS A 114 -10.453 11.736 -6.439 1.00 0.00 C ATOM 1778 O LYS A 114 -10.267 12.451 -7.423 1.00 0.00 O ATOM 1779 CB LYS A 114 -8.471 12.003 -4.937 1.00 0.00 C ATOM 1780 CG LYS A 114 -7.811 13.027 -4.029 1.00 0.00 C ATOM 1781 CD LYS A 114 -8.243 12.851 -2.583 1.00 0.00 C ATOM 1782 CE LYS A 114 -7.331 11.884 -1.843 1.00 0.00 C ATOM 1783 NZ LYS A 114 -7.695 11.770 -0.403 1.00 0.00 N ATOM 0 H LYS A 114 -10.039 10.908 -3.386 1.00 0.00 H new ATOM 0 HA LYS A 114 -10.238 13.227 -4.921 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -8.255 11.003 -4.560 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -8.028 12.072 -5.931 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -6.727 12.933 -4.100 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -8.066 14.032 -4.366 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -8.235 13.818 -2.080 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -9.268 12.483 -2.551 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -7.388 10.901 -2.311 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -6.298 12.220 -1.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -6.846 11.540 0.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -8.091 12.673 -0.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -8.402 11.017 -0.282 1.00 0.00 H new ATOM 1797 N GLY A 115 -11.062 10.556 -6.507 1.00 0.00 N ATOM 1798 CA GLY A 115 -11.547 10.043 -7.775 1.00 0.00 C ATOM 1799 C GLY A 115 -10.483 9.277 -8.535 1.00 0.00 C ATOM 1800 O GLY A 115 -10.476 9.266 -9.767 1.00 0.00 O ATOM 0 H GLY A 115 -11.228 9.946 -5.706 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -12.402 9.391 -7.597 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -11.901 10.872 -8.388 1.00 0.00 H new ATOM 1804 N LEU A 116 -9.580 8.636 -7.801 1.00 0.00 N ATOM 1805 CA LEU A 116 -8.504 7.865 -8.414 1.00 0.00 C ATOM 1806 C LEU A 116 -8.901 6.400 -8.563 1.00 0.00 C ATOM 1807 O LEU A 116 -8.623 5.771 -9.585 1.00 0.00 O ATOM 1808 CB LEU A 116 -7.229 7.977 -7.577 1.00 0.00 C ATOM 1809 CG LEU A 116 -6.425 9.266 -7.748 1.00 0.00 C ATOM 1810 CD1 LEU A 116 -5.423 9.425 -6.615 1.00 0.00 C ATOM 1811 CD2 LEU A 116 -5.716 9.279 -9.094 1.00 0.00 C ATOM 0 H LEU A 116 -9.572 8.635 -6.781 1.00 0.00 H new ATOM 0 HA LEU A 116 -8.317 8.274 -9.407 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -7.499 7.877 -6.526 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -6.583 7.134 -7.821 1.00 0.00 H new ATOM 0 HG LEU A 116 -7.116 10.108 -7.716 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -4.860 10.348 -6.754 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -5.953 9.463 -5.663 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -4.737 8.578 -6.615 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -5.149 10.204 -9.198 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -5.037 8.428 -9.156 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -6.453 9.214 -9.894 1.00 0.00 H new ATOM 1823 N VAL A 117 -9.554 5.862 -7.538 1.00 0.00 N ATOM 1824 CA VAL A 117 -9.993 4.471 -7.556 1.00 0.00 C ATOM 1825 C VAL A 117 -11.511 4.375 -7.658 1.00 0.00 C ATOM 1826 O VAL A 117 -12.215 4.390 -6.648 1.00 0.00 O ATOM 1827 CB VAL A 117 -9.526 3.719 -6.296 1.00 0.00 C ATOM 1828 CG1 VAL A 117 -9.951 2.260 -6.356 1.00 0.00 C ATOM 1829 CG2 VAL A 117 -8.018 3.837 -6.134 1.00 0.00 C ATOM 0 H VAL A 117 -9.791 6.368 -6.685 1.00 0.00 H new ATOM 0 HA VAL A 117 -9.543 4.008 -8.434 1.00 0.00 H new ATOM 0 HB VAL A 117 -9.999 4.175 -5.426 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -9.612 1.745 -5.457 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -11.037 2.200 -6.421 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -9.509 1.788 -7.233 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -7.705 3.300 -5.239 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -7.524 3.408 -7.006 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -7.743 4.888 -6.041 1.00 0.00 H new ATOM 1839 N LYS A 118 -12.011 4.277 -8.885 1.00 0.00 N ATOM 1840 CA LYS A 118 -13.446 4.176 -9.122 1.00 0.00 C ATOM 1841 C LYS A 118 -13.967 2.798 -8.728 1.00 0.00 C ATOM 1842 O LYS A 118 -13.391 1.775 -9.100 1.00 0.00 O ATOM 1843 CB LYS A 118 -13.762 4.451 -10.594 1.00 0.00 C ATOM 1844 CG LYS A 118 -13.986 5.921 -10.904 1.00 0.00 C ATOM 1845 CD LYS A 118 -15.448 6.306 -10.754 1.00 0.00 C ATOM 1846 CE LYS A 118 -15.805 6.582 -9.301 1.00 0.00 C ATOM 1847 NZ LYS A 118 -17.160 7.186 -9.168 1.00 0.00 N ATOM 0 H LYS A 118 -11.443 4.265 -9.732 1.00 0.00 H new ATOM 0 HA LYS A 118 -13.944 4.923 -8.504 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -12.942 4.080 -11.208 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -14.652 3.889 -10.877 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -13.378 6.531 -10.236 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -13.655 6.134 -11.921 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -15.656 7.191 -11.355 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -16.078 5.504 -11.139 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -15.765 5.652 -8.734 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -15.064 7.253 -8.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -17.366 7.359 -8.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -17.191 8.086 -9.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -17.870 6.535 -9.560 1.00 0.00 H new ATOM 1861 N THR A 119 -15.062 2.777 -7.974 1.00 0.00 N ATOM 1862 CA THR A 119 -15.661 1.525 -7.530 1.00 0.00 C ATOM 1863 C THR A 119 -17.172 1.538 -7.727 1.00 0.00 C ATOM 1864 O THR A 119 -17.811 2.587 -7.642 1.00 0.00 O ATOM 1865 CB THR A 119 -15.350 1.248 -6.047 1.00 0.00 C ATOM 1866 OG1 THR A 119 -15.886 -0.023 -5.663 1.00 0.00 O ATOM 1867 CG2 THR A 119 -15.931 2.338 -5.160 1.00 0.00 C ATOM 0 H THR A 119 -15.552 3.614 -7.658 1.00 0.00 H new ATOM 0 HA THR A 119 -15.225 0.733 -8.139 1.00 0.00 H new ATOM 0 HB THR A 119 -14.267 1.238 -5.921 1.00 0.00 H new ATOM 0 HG1 THR A 119 -15.682 -0.192 -4.719 1.00 0.00 H new ATOM 0 HG21 THR A 119 -15.699 2.121 -4.117 1.00 0.00 H new ATOM 0 HG22 THR A 119 -15.499 3.300 -5.435 1.00 0.00 H new ATOM 0 HG23 THR A 119 -17.013 2.375 -5.291 1.00 0.00 H new ATOM 1875 N LYS A 120 -17.740 0.366 -7.989 1.00 0.00 N ATOM 1876 CA LYS A 120 -19.178 0.241 -8.196 1.00 0.00 C ATOM 1877 C LYS A 120 -19.950 1.032 -7.145 1.00 0.00 C ATOM 1878 O LYS A 120 -19.988 0.655 -5.973 1.00 0.00 O ATOM 1879 CB LYS A 120 -19.595 -1.231 -8.150 1.00 0.00 C ATOM 1880 CG LYS A 120 -20.972 -1.491 -8.737 1.00 0.00 C ATOM 1881 CD LYS A 120 -22.066 -1.299 -7.700 1.00 0.00 C ATOM 1882 CE LYS A 120 -22.238 -2.538 -6.835 1.00 0.00 C ATOM 1883 NZ LYS A 120 -21.181 -2.637 -5.791 1.00 0.00 N ATOM 0 H LYS A 120 -17.226 -0.512 -8.063 1.00 0.00 H new ATOM 0 HA LYS A 120 -19.415 0.649 -9.179 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -18.860 -1.825 -8.692 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -19.580 -1.572 -7.115 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -21.143 -0.818 -9.577 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -21.015 -2.507 -9.129 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -21.824 -0.444 -7.069 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -23.007 -1.070 -8.200 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -23.218 -2.515 -6.358 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -22.211 -3.427 -7.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -21.576 -3.082 -4.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -20.393 -3.213 -6.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -20.835 -1.685 -5.556 1.00 0.00 H new ATOM 1897 N LYS A 121 -20.565 2.130 -7.571 1.00 0.00 N ATOM 1898 CA LYS A 121 -21.339 2.974 -6.667 1.00 0.00 C ATOM 1899 C LYS A 121 -22.497 3.641 -7.403 1.00 0.00 C ATOM 1900 O LYS A 121 -22.436 3.850 -8.615 1.00 0.00 O ATOM 1901 CB LYS A 121 -20.440 4.040 -6.037 1.00 0.00 C ATOM 1902 CG LYS A 121 -21.181 4.994 -5.117 1.00 0.00 C ATOM 1903 CD LYS A 121 -21.548 4.328 -3.801 1.00 0.00 C ATOM 1904 CE LYS A 121 -22.649 5.089 -3.079 1.00 0.00 C ATOM 1905 NZ LYS A 121 -22.106 6.208 -2.260 1.00 0.00 N ATOM 0 H LYS A 121 -20.543 2.457 -8.537 1.00 0.00 H new ATOM 0 HA LYS A 121 -21.748 2.341 -5.880 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -19.647 3.548 -5.474 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -19.959 4.613 -6.830 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -20.561 5.869 -4.922 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -22.086 5.348 -5.611 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -21.874 3.305 -3.988 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -20.666 4.270 -3.163 1.00 0.00 H new ATOM 0 HE2 LYS A 121 -23.356 5.483 -3.809 1.00 0.00 H new ATOM 0 HE3 LYS A 121 -23.202 4.404 -2.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 -22.888 6.701 -1.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 -21.450 5.830 -1.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 -21.600 6.875 -2.876 1.00 0.00 H new ATOM 1919 N SER A 122 -23.549 3.973 -6.663 1.00 0.00 N ATOM 1920 CA SER A 122 -24.722 4.615 -7.246 1.00 0.00 C ATOM 1921 C SER A 122 -24.693 6.121 -7.007 1.00 0.00 C ATOM 1922 O SER A 122 -24.236 6.586 -5.962 1.00 0.00 O ATOM 1923 CB SER A 122 -26.001 4.018 -6.657 1.00 0.00 C ATOM 1924 OG SER A 122 -26.251 4.526 -5.358 1.00 0.00 O ATOM 0 H SER A 122 -23.614 3.808 -5.658 1.00 0.00 H new ATOM 0 HA SER A 122 -24.707 4.436 -8.321 1.00 0.00 H new ATOM 0 HB2 SER A 122 -26.845 4.245 -7.308 1.00 0.00 H new ATOM 0 HB3 SER A 122 -25.913 2.932 -6.615 1.00 0.00 H new ATOM 0 HG SER A 122 -27.075 4.130 -5.005 1.00 0.00 H new ATOM 1930 N SER A 123 -25.184 6.879 -7.982 1.00 0.00 N ATOM 1931 CA SER A 123 -25.211 8.333 -7.880 1.00 0.00 C ATOM 1932 C SER A 123 -26.505 8.808 -7.226 1.00 0.00 C ATOM 1933 O SER A 123 -26.482 9.506 -6.214 1.00 0.00 O ATOM 1934 CB SER A 123 -25.065 8.965 -9.266 1.00 0.00 C ATOM 1935 OG SER A 123 -23.796 8.676 -9.827 1.00 0.00 O ATOM 0 H SER A 123 -25.569 6.510 -8.852 1.00 0.00 H new ATOM 0 HA SER A 123 -24.373 8.645 -7.256 1.00 0.00 H new ATOM 0 HB2 SER A 123 -25.850 8.592 -9.924 1.00 0.00 H new ATOM 0 HB3 SER A 123 -25.196 10.045 -9.193 1.00 0.00 H new ATOM 0 HG SER A 123 -23.728 9.089 -10.713 1.00 0.00 H new ATOM 1941 N GLY A 124 -27.634 8.422 -7.814 1.00 0.00 N ATOM 1942 CA GLY A 124 -28.923 8.817 -7.276 1.00 0.00 C ATOM 1943 C GLY A 124 -29.821 9.443 -8.324 1.00 0.00 C ATOM 1944 O GLY A 124 -29.655 9.226 -9.525 1.00 0.00 O ATOM 0 H GLY A 124 -27.679 7.843 -8.653 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -29.419 7.944 -6.851 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -28.772 9.525 -6.461 1.00 0.00 H new ATOM 1948 N PRO A 125 -30.802 10.238 -7.870 1.00 0.00 N ATOM 1949 CA PRO A 125 -31.751 10.912 -8.761 1.00 0.00 C ATOM 1950 C PRO A 125 -31.094 12.022 -9.575 1.00 0.00 C ATOM 1951 O PRO A 125 -30.008 12.493 -9.236 1.00 0.00 O ATOM 1952 CB PRO A 125 -32.787 11.497 -7.798 1.00 0.00 C ATOM 1953 CG PRO A 125 -32.056 11.664 -6.511 1.00 0.00 C ATOM 1954 CD PRO A 125 -31.059 10.540 -6.452 1.00 0.00 C ATOM 0 HA PRO A 125 -32.172 10.230 -9.499 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -33.172 12.450 -8.161 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -33.642 10.831 -7.684 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -31.556 12.632 -6.469 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -32.742 11.622 -5.665 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -30.148 10.838 -5.933 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -31.459 9.675 -5.923 1.00 0.00 H new ATOM 1962 N SER A 126 -31.759 12.435 -10.648 1.00 0.00 N ATOM 1963 CA SER A 126 -31.238 13.488 -11.512 1.00 0.00 C ATOM 1964 C SER A 126 -31.196 14.824 -10.777 1.00 0.00 C ATOM 1965 O SER A 126 -32.235 15.412 -10.477 1.00 0.00 O ATOM 1966 CB SER A 126 -32.095 13.614 -12.773 1.00 0.00 C ATOM 1967 OG SER A 126 -31.322 14.060 -13.873 1.00 0.00 O ATOM 0 H SER A 126 -32.660 12.057 -10.940 1.00 0.00 H new ATOM 0 HA SER A 126 -30.221 13.218 -11.798 1.00 0.00 H new ATOM 0 HB2 SER A 126 -32.545 12.650 -13.008 1.00 0.00 H new ATOM 0 HB3 SER A 126 -32.913 14.312 -12.592 1.00 0.00 H new ATOM 0 HG SER A 126 -31.893 14.131 -14.667 1.00 0.00 H new ATOM 1973 N SER A 127 -29.988 15.297 -10.489 1.00 0.00 N ATOM 1974 CA SER A 127 -29.810 16.562 -9.785 1.00 0.00 C ATOM 1975 C SER A 127 -29.938 17.740 -10.745 1.00 0.00 C ATOM 1976 O SER A 127 -29.207 17.837 -11.729 1.00 0.00 O ATOM 1977 CB SER A 127 -28.444 16.597 -9.095 1.00 0.00 C ATOM 1978 OG SER A 127 -27.394 16.447 -10.035 1.00 0.00 O ATOM 0 H SER A 127 -29.118 14.824 -10.732 1.00 0.00 H new ATOM 0 HA SER A 127 -30.593 16.644 -9.031 1.00 0.00 H new ATOM 0 HB2 SER A 127 -28.327 17.540 -8.561 1.00 0.00 H new ATOM 0 HB3 SER A 127 -28.388 15.801 -8.352 1.00 0.00 H new ATOM 0 HG SER A 127 -27.610 16.948 -10.849 1.00 0.00 H new ATOM 1984 N GLY A 128 -30.875 18.637 -10.449 1.00 0.00 N ATOM 1985 CA GLY A 128 -31.084 19.798 -11.294 1.00 0.00 C ATOM 1986 C GLY A 128 -31.406 21.045 -10.496 1.00 0.00 C ATOM 1987 O GLY A 128 -30.872 22.120 -10.770 1.00 0.00 O ATOM 0 H GLY A 128 -31.493 18.580 -9.639 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -30.190 19.974 -11.892 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -31.898 19.595 -11.990 1.00 0.00 H new TER 1991 GLY A 128