USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 610 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 76 TYR OH : rot -94:sc= 1.23 USER MOD Set 1.2: A 80 GLN : amide:sc= -1.4 K(o=-0.17,f=-2.4) USER MOD Set 2.1: A 50 GLN : amide:sc= -23.5! C(o=-27!,f=-40!) USER MOD Set 2.2: A 58 MET CE :methyl -169:sc= -2.98 (180deg=-1.49) USER MOD Set 3.1: A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 28 ASN : amide:sc= -3.22! C(o=-3.2!,f=-5.5!) USER MOD Set 4.1: A 18 HIS : no HD1:sc= -16.8! C(o=-18!,f=-17!) USER MOD Set 4.2: A 23 ASN : amide:sc= -1.18 K(o=-18,f=-20!) USER MOD Set 5.1: A 5 ASN : amide:sc= -3.29! C(o=-13!,f=-18!) USER MOD Set 5.2: A 8 LYS NZ :NH3+ -154:sc= -0.5 (180deg=0) USER MOD Set 5.3: A 69 GLN : amide:sc= -9.37! C(o=-13!,f=-12!) USER MOD Single : A 11 SER OG : rot 93:sc= 0.806 USER MOD Single : A 13 ASN : amide:sc= -10.9! C(o=-11!,f=-6.9!) USER MOD Single : A 14 CYS SG : rot -87:sc= -4.8! USER MOD Single : A 17 CYS SG : rot 180:sc= -1.39 USER MOD Single : A 19 MET CE :methyl -110:sc=-0.00848 (180deg=-0.982) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.999 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -176:sc= 1.35 (180deg=1.12) USER MOD Single : A 38 GLN : amide:sc= -3.05! K(o=-3!,f=-1.1) USER MOD Single : A 41 MET CE :methyl 146:sc= -2.24! (180deg=-4.02!) USER MOD Single : A 42 TYR OH : rot -35:sc= -5.14! USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -1.45 K(o=-1.5,f=-0.41) USER MOD Single : A 53 HIS : no HD1:sc= -12.6! C(o=-13!,f=-10!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -0.0369 X(o=-0.037,f=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -0.261 X(o=-0.26,f=-0.034) USER MOD Single : A 83 LYS NZ :NH3+ -142:sc= -0.0139 (180deg=-0.315) USER MOD ----------------------------------------------------------------- ATOM 13 N ASP A 2 31.355 9.232 -18.413 1.00 0.00 N ATOM 14 CA ASP A 2 30.026 8.698 -18.819 1.00 0.00 C ATOM 15 C ASP A 2 30.115 7.186 -19.030 1.00 0.00 C ATOM 16 O ASP A 2 29.140 6.543 -19.361 1.00 0.00 O ATOM 17 CB ASP A 2 29.584 9.368 -20.119 1.00 0.00 C ATOM 18 CG ASP A 2 30.061 10.822 -20.131 1.00 0.00 C ATOM 19 OD1 ASP A 2 29.954 11.468 -19.101 1.00 0.00 O ATOM 20 OD2 ASP A 2 30.524 11.265 -21.169 1.00 0.00 O ATOM 0 HA ASP A 2 29.300 8.908 -18.033 1.00 0.00 H new ATOM 0 HB2 ASP A 2 29.995 8.832 -20.975 1.00 0.00 H new ATOM 0 HB3 ASP A 2 28.498 9.329 -20.210 1.00 0.00 H new ATOM 25 N LEU A 3 31.270 6.605 -18.840 1.00 0.00 N ATOM 26 CA LEU A 3 31.386 5.134 -19.033 1.00 0.00 C ATOM 27 C LEU A 3 30.627 4.424 -17.917 1.00 0.00 C ATOM 28 O LEU A 3 30.420 3.227 -17.963 1.00 0.00 O ATOM 29 CB LEU A 3 32.855 4.705 -19.018 1.00 0.00 C ATOM 30 CG LEU A 3 33.605 5.363 -20.185 1.00 0.00 C ATOM 31 CD1 LEU A 3 34.869 4.560 -20.482 1.00 0.00 C ATOM 32 CD2 LEU A 3 32.722 5.387 -21.438 1.00 0.00 C ATOM 0 H LEU A 3 32.128 7.081 -18.563 1.00 0.00 H new ATOM 0 HA LEU A 3 30.960 4.865 -19.999 1.00 0.00 H new ATOM 0 HB2 LEU A 3 33.316 4.989 -18.072 1.00 0.00 H new ATOM 0 HB3 LEU A 3 32.927 3.620 -19.094 1.00 0.00 H new ATOM 0 HG LEU A 3 33.863 6.386 -19.911 1.00 0.00 H new ATOM 0 HD11 LEU A 3 35.407 5.021 -21.310 1.00 0.00 H new ATOM 0 HD12 LEU A 3 35.507 4.545 -19.598 1.00 0.00 H new ATOM 0 HD13 LEU A 3 34.597 3.539 -20.750 1.00 0.00 H new ATOM 0 HD21 LEU A 3 33.266 5.856 -22.258 1.00 0.00 H new ATOM 0 HD22 LEU A 3 32.457 4.367 -21.716 1.00 0.00 H new ATOM 0 HD23 LEU A 3 31.815 5.955 -21.233 1.00 0.00 H new ATOM 44 N ALA A 4 30.171 5.150 -16.932 1.00 0.00 N ATOM 45 CA ALA A 4 29.388 4.495 -15.861 1.00 0.00 C ATOM 46 C ALA A 4 28.222 3.824 -16.564 1.00 0.00 C ATOM 47 O ALA A 4 27.716 2.799 -16.154 1.00 0.00 O ATOM 48 CB ALA A 4 28.875 5.539 -14.864 1.00 0.00 C ATOM 0 H ALA A 4 30.308 6.155 -16.828 1.00 0.00 H new ATOM 0 HA ALA A 4 29.989 3.780 -15.299 1.00 0.00 H new ATOM 0 HB1 ALA A 4 28.301 5.043 -14.081 1.00 0.00 H new ATOM 0 HB2 ALA A 4 29.721 6.062 -14.417 1.00 0.00 H new ATOM 0 HB3 ALA A 4 28.238 6.256 -15.383 1.00 0.00 H new ATOM 54 N ASN A 5 27.834 4.406 -17.663 1.00 0.00 N ATOM 55 CA ASN A 5 26.741 3.850 -18.485 1.00 0.00 C ATOM 56 C ASN A 5 27.230 2.538 -19.091 1.00 0.00 C ATOM 57 O ASN A 5 26.522 1.556 -19.141 1.00 0.00 O ATOM 58 CB ASN A 5 26.444 4.845 -19.603 1.00 0.00 C ATOM 59 CG ASN A 5 25.024 5.390 -19.451 1.00 0.00 C ATOM 60 OD1 ASN A 5 24.267 4.927 -18.623 1.00 0.00 O ATOM 61 ND2 ASN A 5 24.630 6.363 -20.228 1.00 0.00 N ATOM 0 H ASN A 5 28.244 5.265 -18.029 1.00 0.00 H new ATOM 0 HA ASN A 5 25.844 3.675 -17.891 1.00 0.00 H new ATOM 0 HB2 ASN A 5 27.162 5.664 -19.573 1.00 0.00 H new ATOM 0 HB3 ASN A 5 26.555 4.360 -20.573 1.00 0.00 H new ATOM 0 HD21 ASN A 5 23.684 6.735 -20.140 1.00 0.00 H new ATOM 0 HD22 ASN A 5 25.268 6.751 -20.923 1.00 0.00 H new ATOM 68 N GLY A 6 28.453 2.519 -19.546 1.00 0.00 N ATOM 69 CA GLY A 6 29.005 1.274 -20.139 1.00 0.00 C ATOM 70 C GLY A 6 28.686 0.102 -19.209 1.00 0.00 C ATOM 71 O GLY A 6 28.040 -0.841 -19.592 1.00 0.00 O ATOM 0 H GLY A 6 29.092 3.314 -19.531 1.00 0.00 H new ATOM 0 HA2 GLY A 6 28.573 1.102 -21.125 1.00 0.00 H new ATOM 0 HA3 GLY A 6 30.083 1.366 -20.274 1.00 0.00 H new ATOM 75 N ALA A 7 29.131 0.156 -17.987 1.00 0.00 N ATOM 76 CA ALA A 7 28.846 -0.961 -17.044 1.00 0.00 C ATOM 77 C ALA A 7 27.350 -1.267 -17.062 1.00 0.00 C ATOM 78 O ALA A 7 26.938 -2.405 -16.980 1.00 0.00 O ATOM 79 CB ALA A 7 29.255 -0.561 -15.625 1.00 0.00 C ATOM 0 H ALA A 7 29.679 0.924 -17.599 1.00 0.00 H new ATOM 0 HA ALA A 7 29.411 -1.841 -17.351 1.00 0.00 H new ATOM 0 HB1 ALA A 7 29.044 -1.382 -14.940 1.00 0.00 H new ATOM 0 HB2 ALA A 7 30.321 -0.336 -15.604 1.00 0.00 H new ATOM 0 HB3 ALA A 7 28.692 0.320 -15.319 1.00 0.00 H new ATOM 85 N LYS A 8 26.531 -0.258 -17.166 1.00 0.00 N ATOM 86 CA LYS A 8 25.063 -0.497 -17.190 1.00 0.00 C ATOM 87 C LYS A 8 24.736 -1.399 -18.379 1.00 0.00 C ATOM 88 O LYS A 8 23.929 -2.300 -18.286 1.00 0.00 O ATOM 89 CB LYS A 8 24.320 0.848 -17.308 1.00 0.00 C ATOM 90 CG LYS A 8 22.987 0.674 -18.062 1.00 0.00 C ATOM 91 CD LYS A 8 23.172 1.017 -19.549 1.00 0.00 C ATOM 92 CE LYS A 8 23.814 2.395 -19.686 1.00 0.00 C ATOM 93 NZ LYS A 8 22.934 3.267 -20.514 1.00 0.00 N ATOM 0 H LYS A 8 26.815 0.719 -17.235 1.00 0.00 H new ATOM 0 HA LYS A 8 24.744 -0.984 -16.269 1.00 0.00 H new ATOM 0 HB2 LYS A 8 24.130 1.252 -16.314 1.00 0.00 H new ATOM 0 HB3 LYS A 8 24.947 1.570 -17.831 1.00 0.00 H new ATOM 0 HG2 LYS A 8 22.633 -0.352 -17.959 1.00 0.00 H new ATOM 0 HG3 LYS A 8 22.226 1.319 -17.624 1.00 0.00 H new ATOM 0 HD2 LYS A 8 23.797 0.265 -20.030 1.00 0.00 H new ATOM 0 HD3 LYS A 8 22.208 1.003 -20.058 1.00 0.00 H new ATOM 0 HE2 LYS A 8 23.963 2.839 -18.702 1.00 0.00 H new ATOM 0 HE3 LYS A 8 24.797 2.307 -20.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 23.508 4.002 -20.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 22.460 2.693 -21.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 22.219 3.716 -19.906 1.00 0.00 H new ATOM 107 N VAL A 9 25.362 -1.160 -19.493 1.00 0.00 N ATOM 108 CA VAL A 9 25.097 -1.995 -20.689 1.00 0.00 C ATOM 109 C VAL A 9 25.904 -3.287 -20.581 1.00 0.00 C ATOM 110 O VAL A 9 25.347 -4.357 -20.429 1.00 0.00 O ATOM 111 CB VAL A 9 25.504 -1.203 -21.929 1.00 0.00 C ATOM 112 CG1 VAL A 9 25.656 -2.124 -23.145 1.00 0.00 C ATOM 113 CG2 VAL A 9 24.426 -0.163 -22.222 1.00 0.00 C ATOM 0 H VAL A 9 26.049 -0.418 -19.626 1.00 0.00 H new ATOM 0 HA VAL A 9 24.040 -2.251 -20.760 1.00 0.00 H new ATOM 0 HB VAL A 9 26.463 -0.722 -21.739 1.00 0.00 H new ATOM 0 HG11 VAL A 9 25.946 -1.534 -24.014 1.00 0.00 H new ATOM 0 HG12 VAL A 9 26.423 -2.872 -22.942 1.00 0.00 H new ATOM 0 HG13 VAL A 9 24.707 -2.622 -23.345 1.00 0.00 H new ATOM 0 HG21 VAL A 9 24.704 0.410 -23.106 1.00 0.00 H new ATOM 0 HG22 VAL A 9 23.475 -0.665 -22.400 1.00 0.00 H new ATOM 0 HG23 VAL A 9 24.328 0.509 -21.370 1.00 0.00 H new ATOM 123 N PHE A 10 27.205 -3.205 -20.662 1.00 0.00 N ATOM 124 CA PHE A 10 28.029 -4.435 -20.562 1.00 0.00 C ATOM 125 C PHE A 10 27.475 -5.344 -19.461 1.00 0.00 C ATOM 126 O PHE A 10 27.663 -6.543 -19.480 1.00 0.00 O ATOM 127 CB PHE A 10 29.468 -4.058 -20.209 1.00 0.00 C ATOM 128 CG PHE A 10 30.225 -5.326 -19.915 1.00 0.00 C ATOM 129 CD1 PHE A 10 30.141 -5.876 -18.641 1.00 0.00 C ATOM 130 CD2 PHE A 10 30.978 -5.971 -20.909 1.00 0.00 C ATOM 131 CE1 PHE A 10 30.805 -7.060 -18.346 1.00 0.00 C ATOM 132 CE2 PHE A 10 31.642 -7.166 -20.611 1.00 0.00 C ATOM 133 CZ PHE A 10 31.557 -7.709 -19.327 1.00 0.00 C ATOM 0 H PHE A 10 27.728 -2.339 -20.793 1.00 0.00 H new ATOM 0 HA PHE A 10 28.003 -4.957 -21.518 1.00 0.00 H new ATOM 0 HB2 PHE A 10 29.934 -3.519 -21.034 1.00 0.00 H new ATOM 0 HB3 PHE A 10 29.486 -3.394 -19.344 1.00 0.00 H new ATOM 0 HD1 PHE A 10 29.558 -5.381 -17.878 1.00 0.00 H new ATOM 0 HD2 PHE A 10 31.044 -5.546 -21.900 1.00 0.00 H new ATOM 0 HE1 PHE A 10 30.739 -7.480 -17.353 1.00 0.00 H new ATOM 0 HE2 PHE A 10 32.220 -7.668 -21.373 1.00 0.00 H new ATOM 0 HZ PHE A 10 32.072 -8.629 -19.093 1.00 0.00 H new ATOM 143 N SER A 11 26.820 -4.778 -18.490 1.00 0.00 N ATOM 144 CA SER A 11 26.279 -5.605 -17.373 1.00 0.00 C ATOM 145 C SER A 11 25.009 -6.356 -17.800 1.00 0.00 C ATOM 146 O SER A 11 24.869 -7.537 -17.548 1.00 0.00 O ATOM 147 CB SER A 11 25.949 -4.696 -16.186 1.00 0.00 C ATOM 148 OG SER A 11 27.153 -4.256 -15.577 1.00 0.00 O ATOM 0 H SER A 11 26.634 -3.778 -18.419 1.00 0.00 H new ATOM 0 HA SER A 11 27.035 -6.338 -17.093 1.00 0.00 H new ATOM 0 HB2 SER A 11 25.365 -3.839 -16.522 1.00 0.00 H new ATOM 0 HB3 SER A 11 25.338 -5.234 -15.461 1.00 0.00 H new ATOM 0 HG SER A 11 27.417 -3.393 -15.960 1.00 0.00 H new ATOM 154 N GLY A 12 24.066 -5.686 -18.407 1.00 0.00 N ATOM 155 CA GLY A 12 22.807 -6.373 -18.795 1.00 0.00 C ATOM 156 C GLY A 12 22.787 -6.721 -20.287 1.00 0.00 C ATOM 157 O GLY A 12 21.737 -6.780 -20.895 1.00 0.00 O ATOM 0 H GLY A 12 24.115 -4.696 -18.649 1.00 0.00 H new ATOM 0 HA2 GLY A 12 22.694 -7.284 -18.207 1.00 0.00 H new ATOM 0 HA3 GLY A 12 21.956 -5.734 -18.559 1.00 0.00 H new ATOM 161 N ASN A 13 23.919 -6.962 -20.886 1.00 0.00 N ATOM 162 CA ASN A 13 23.920 -7.312 -22.338 1.00 0.00 C ATOM 163 C ASN A 13 25.161 -8.127 -22.698 1.00 0.00 C ATOM 164 O ASN A 13 25.149 -8.906 -23.632 1.00 0.00 O ATOM 165 CB ASN A 13 23.926 -6.035 -23.179 1.00 0.00 C ATOM 166 CG ASN A 13 22.900 -5.047 -22.637 1.00 0.00 C ATOM 167 OD1 ASN A 13 21.712 -5.298 -22.672 1.00 0.00 O ATOM 168 ND2 ASN A 13 23.317 -3.918 -22.145 1.00 0.00 N ATOM 0 H ASN A 13 24.836 -6.933 -20.441 1.00 0.00 H new ATOM 0 HA ASN A 13 23.025 -7.900 -22.543 1.00 0.00 H new ATOM 0 HB2 ASN A 13 24.919 -5.585 -23.164 1.00 0.00 H new ATOM 0 HB3 ASN A 13 23.699 -6.273 -24.218 1.00 0.00 H new ATOM 0 HD21 ASN A 13 22.646 -3.239 -21.786 1.00 0.00 H new ATOM 0 HD22 ASN A 13 24.315 -3.711 -22.118 1.00 0.00 H new ATOM 175 N CYS A 14 26.245 -7.931 -22.005 1.00 0.00 N ATOM 176 CA CYS A 14 27.477 -8.670 -22.363 1.00 0.00 C ATOM 177 C CYS A 14 28.070 -9.380 -21.150 1.00 0.00 C ATOM 178 O CYS A 14 28.955 -10.203 -21.271 1.00 0.00 O ATOM 179 CB CYS A 14 28.441 -7.675 -22.931 1.00 0.00 C ATOM 180 SG CYS A 14 27.633 -6.979 -24.382 1.00 0.00 S ATOM 0 H CYS A 14 26.328 -7.295 -21.212 1.00 0.00 H new ATOM 0 HA CYS A 14 27.254 -9.447 -23.095 1.00 0.00 H new ATOM 0 HB2 CYS A 14 28.674 -6.898 -22.203 1.00 0.00 H new ATOM 0 HB3 CYS A 14 29.383 -8.153 -23.200 1.00 0.00 H new ATOM 0 HG CYS A 14 27.882 -7.725 -25.417 1.00 0.00 H new ATOM 185 N ALA A 15 27.586 -9.076 -19.986 1.00 0.00 N ATOM 186 CA ALA A 15 28.113 -9.744 -18.769 1.00 0.00 C ATOM 187 C ALA A 15 28.079 -11.262 -18.977 1.00 0.00 C ATOM 188 O ALA A 15 28.905 -11.992 -18.465 1.00 0.00 O ATOM 189 CB ALA A 15 27.243 -9.373 -17.568 1.00 0.00 C ATOM 0 H ALA A 15 26.847 -8.393 -19.822 1.00 0.00 H new ATOM 0 HA ALA A 15 29.138 -9.421 -18.585 1.00 0.00 H new ATOM 0 HB1 ALA A 15 27.629 -9.863 -16.674 1.00 0.00 H new ATOM 0 HB2 ALA A 15 27.261 -8.292 -17.426 1.00 0.00 H new ATOM 0 HB3 ALA A 15 26.218 -9.699 -17.747 1.00 0.00 H new ATOM 195 N ALA A 16 27.117 -11.740 -19.724 1.00 0.00 N ATOM 196 CA ALA A 16 27.004 -13.209 -19.966 1.00 0.00 C ATOM 197 C ALA A 16 28.165 -13.706 -20.838 1.00 0.00 C ATOM 198 O ALA A 16 28.665 -14.797 -20.648 1.00 0.00 O ATOM 199 CB ALA A 16 25.679 -13.498 -20.672 1.00 0.00 C ATOM 0 H ALA A 16 26.402 -11.173 -20.179 1.00 0.00 H new ATOM 0 HA ALA A 16 27.042 -13.729 -19.009 1.00 0.00 H new ATOM 0 HB1 ALA A 16 25.589 -14.569 -20.852 1.00 0.00 H new ATOM 0 HB2 ALA A 16 24.852 -13.165 -20.045 1.00 0.00 H new ATOM 0 HB3 ALA A 16 25.650 -12.966 -21.623 1.00 0.00 H new ATOM 205 N CYS A 17 28.603 -12.924 -21.787 1.00 0.00 N ATOM 206 CA CYS A 17 29.733 -13.371 -22.651 1.00 0.00 C ATOM 207 C CYS A 17 31.011 -12.708 -22.165 1.00 0.00 C ATOM 208 O CYS A 17 31.990 -12.617 -22.881 1.00 0.00 O ATOM 209 CB CYS A 17 29.488 -12.959 -24.101 1.00 0.00 C ATOM 210 SG CYS A 17 29.488 -14.418 -25.177 1.00 0.00 S ATOM 0 H CYS A 17 28.230 -11.999 -22.001 1.00 0.00 H new ATOM 0 HA CYS A 17 29.816 -14.456 -22.597 1.00 0.00 H new ATOM 0 HB2 CYS A 17 28.534 -12.439 -24.182 1.00 0.00 H new ATOM 0 HB3 CYS A 17 30.260 -12.261 -24.423 1.00 0.00 H new ATOM 0 HG CYS A 17 29.276 -14.051 -26.406 1.00 0.00 H new ATOM 215 N HIS A 18 31.009 -12.225 -20.957 1.00 0.00 N ATOM 216 CA HIS A 18 32.223 -11.551 -20.438 1.00 0.00 C ATOM 217 C HIS A 18 32.203 -11.546 -18.910 1.00 0.00 C ATOM 218 O HIS A 18 33.035 -12.152 -18.268 1.00 0.00 O ATOM 219 CB HIS A 18 32.239 -10.115 -20.957 1.00 0.00 C ATOM 220 CG HIS A 18 32.602 -10.122 -22.400 1.00 0.00 C ATOM 221 ND1 HIS A 18 33.870 -10.458 -22.806 1.00 0.00 N ATOM 222 CD2 HIS A 18 31.899 -9.832 -23.538 1.00 0.00 C ATOM 223 CE1 HIS A 18 33.906 -10.365 -24.136 1.00 0.00 C ATOM 224 NE2 HIS A 18 32.730 -9.989 -24.642 1.00 0.00 N ATOM 0 H HIS A 18 30.222 -12.268 -20.310 1.00 0.00 H new ATOM 0 HA HIS A 18 33.114 -12.081 -20.774 1.00 0.00 H new ATOM 0 HB2 HIS A 18 31.261 -9.654 -20.818 1.00 0.00 H new ATOM 0 HB3 HIS A 18 32.956 -9.519 -20.392 1.00 0.00 H new ATOM 0 HD2 HIS A 18 30.863 -9.529 -23.573 1.00 0.00 H new ATOM 0 HE1 HIS A 18 34.783 -10.570 -24.732 1.00 0.00 H new ATOM 0 HE2 HIS A 18 32.492 -9.848 -25.624 1.00 0.00 H new ATOM 232 N MET A 19 31.256 -10.860 -18.337 1.00 0.00 N ATOM 233 CA MET A 19 31.152 -10.785 -16.850 1.00 0.00 C ATOM 234 C MET A 19 32.551 -10.688 -16.239 1.00 0.00 C ATOM 235 O MET A 19 33.209 -11.683 -16.006 1.00 0.00 O ATOM 236 CB MET A 19 30.442 -12.030 -16.315 1.00 0.00 C ATOM 237 CG MET A 19 30.887 -13.260 -17.105 1.00 0.00 C ATOM 238 SD MET A 19 30.008 -14.719 -16.493 1.00 0.00 S ATOM 239 CE MET A 19 30.285 -15.773 -17.938 1.00 0.00 C ATOM 0 H MET A 19 30.538 -10.340 -18.841 1.00 0.00 H new ATOM 0 HA MET A 19 30.577 -9.900 -16.577 1.00 0.00 H new ATOM 0 HB2 MET A 19 30.670 -12.164 -15.258 1.00 0.00 H new ATOM 0 HB3 MET A 19 29.362 -11.906 -16.395 1.00 0.00 H new ATOM 0 HG2 MET A 19 30.683 -13.118 -18.166 1.00 0.00 H new ATOM 0 HG3 MET A 19 31.963 -13.401 -17.004 1.00 0.00 H new ATOM 0 HE1 MET A 19 29.344 -15.918 -18.469 1.00 0.00 H new ATOM 0 HE2 MET A 19 31.007 -15.298 -18.602 1.00 0.00 H new ATOM 0 HE3 MET A 19 30.671 -16.740 -17.615 1.00 0.00 H new ATOM 249 N GLY A 20 33.014 -9.496 -15.981 1.00 0.00 N ATOM 250 CA GLY A 20 34.374 -9.341 -15.395 1.00 0.00 C ATOM 251 C GLY A 20 35.410 -9.692 -16.463 1.00 0.00 C ATOM 252 O GLY A 20 36.232 -10.568 -16.279 1.00 0.00 O ATOM 0 H GLY A 20 32.511 -8.625 -16.150 1.00 0.00 H new ATOM 0 HA2 GLY A 20 34.521 -8.319 -15.047 1.00 0.00 H new ATOM 0 HA3 GLY A 20 34.489 -9.992 -14.529 1.00 0.00 H new ATOM 256 N GLY A 21 35.367 -9.011 -17.578 1.00 0.00 N ATOM 257 CA GLY A 21 36.331 -9.284 -18.682 1.00 0.00 C ATOM 258 C GLY A 21 36.621 -10.789 -18.771 1.00 0.00 C ATOM 259 O GLY A 21 37.732 -11.226 -18.544 1.00 0.00 O ATOM 0 H GLY A 21 34.696 -8.268 -17.772 1.00 0.00 H new ATOM 0 HA2 GLY A 21 35.923 -8.928 -19.628 1.00 0.00 H new ATOM 0 HA3 GLY A 21 37.258 -8.737 -18.509 1.00 0.00 H new ATOM 263 N GLY A 22 35.638 -11.586 -19.096 1.00 0.00 N ATOM 264 CA GLY A 22 35.878 -13.057 -19.188 1.00 0.00 C ATOM 265 C GLY A 22 35.095 -13.641 -20.365 1.00 0.00 C ATOM 266 O GLY A 22 33.915 -13.907 -20.269 1.00 0.00 O ATOM 0 H GLY A 22 34.685 -11.285 -19.301 1.00 0.00 H new ATOM 0 HA2 GLY A 22 36.943 -13.253 -19.315 1.00 0.00 H new ATOM 0 HA3 GLY A 22 35.573 -13.542 -18.261 1.00 0.00 H new ATOM 270 N ASN A 23 35.746 -13.847 -21.476 1.00 0.00 N ATOM 271 CA ASN A 23 35.041 -14.415 -22.659 1.00 0.00 C ATOM 272 C ASN A 23 34.641 -15.862 -22.379 1.00 0.00 C ATOM 273 O ASN A 23 35.394 -16.629 -21.815 1.00 0.00 O ATOM 274 CB ASN A 23 35.973 -14.369 -23.869 1.00 0.00 C ATOM 275 CG ASN A 23 35.179 -13.955 -25.109 1.00 0.00 C ATOM 276 OD1 ASN A 23 34.375 -14.715 -25.613 1.00 0.00 O ATOM 277 ND2 ASN A 23 35.370 -12.773 -25.624 1.00 0.00 N ATOM 0 H ASN A 23 36.736 -13.646 -21.616 1.00 0.00 H new ATOM 0 HA ASN A 23 34.144 -13.830 -22.862 1.00 0.00 H new ATOM 0 HB2 ASN A 23 36.784 -13.662 -23.690 1.00 0.00 H new ATOM 0 HB3 ASN A 23 36.431 -15.346 -24.026 1.00 0.00 H new ATOM 0 HD21 ASN A 23 34.845 -12.486 -26.450 1.00 0.00 H new ATOM 0 HD22 ASN A 23 36.045 -12.135 -25.201 1.00 0.00 H new ATOM 284 N VAL A 24 33.454 -16.238 -22.767 1.00 0.00 N ATOM 285 CA VAL A 24 32.996 -17.628 -22.524 1.00 0.00 C ATOM 286 C VAL A 24 32.888 -18.376 -23.861 1.00 0.00 C ATOM 287 O VAL A 24 32.594 -19.554 -23.901 1.00 0.00 O ATOM 288 CB VAL A 24 31.640 -17.576 -21.800 1.00 0.00 C ATOM 289 CG1 VAL A 24 30.478 -17.877 -22.758 1.00 0.00 C ATOM 290 CG2 VAL A 24 31.647 -18.600 -20.670 1.00 0.00 C ATOM 0 H VAL A 24 32.781 -15.637 -23.244 1.00 0.00 H new ATOM 0 HA VAL A 24 33.710 -18.165 -21.899 1.00 0.00 H new ATOM 0 HB VAL A 24 31.495 -16.570 -21.406 1.00 0.00 H new ATOM 0 HG11 VAL A 24 29.536 -17.832 -22.212 1.00 0.00 H new ATOM 0 HG12 VAL A 24 30.468 -17.140 -23.561 1.00 0.00 H new ATOM 0 HG13 VAL A 24 30.604 -18.873 -23.182 1.00 0.00 H new ATOM 0 HG21 VAL A 24 30.690 -18.573 -20.148 1.00 0.00 H new ATOM 0 HG22 VAL A 24 31.807 -19.596 -21.083 1.00 0.00 H new ATOM 0 HG23 VAL A 24 32.449 -18.364 -19.970 1.00 0.00 H new ATOM 300 N VAL A 25 33.120 -17.699 -24.952 1.00 0.00 N ATOM 301 CA VAL A 25 33.026 -18.371 -26.280 1.00 0.00 C ATOM 302 C VAL A 25 34.433 -18.653 -26.814 1.00 0.00 C ATOM 303 O VAL A 25 34.725 -19.739 -27.275 1.00 0.00 O ATOM 304 CB VAL A 25 32.280 -17.464 -27.259 1.00 0.00 C ATOM 305 CG1 VAL A 25 31.865 -18.276 -28.487 1.00 0.00 C ATOM 306 CG2 VAL A 25 31.032 -16.893 -26.579 1.00 0.00 C ATOM 0 H VAL A 25 33.370 -16.711 -24.982 1.00 0.00 H new ATOM 0 HA VAL A 25 32.486 -19.311 -26.172 1.00 0.00 H new ATOM 0 HB VAL A 25 32.932 -16.646 -27.566 1.00 0.00 H new ATOM 0 HG11 VAL A 25 31.333 -17.631 -29.187 1.00 0.00 H new ATOM 0 HG12 VAL A 25 32.753 -18.682 -28.971 1.00 0.00 H new ATOM 0 HG13 VAL A 25 31.213 -19.094 -28.179 1.00 0.00 H new ATOM 0 HG21 VAL A 25 30.501 -16.246 -27.277 1.00 0.00 H new ATOM 0 HG22 VAL A 25 30.379 -17.710 -26.272 1.00 0.00 H new ATOM 0 HG23 VAL A 25 31.327 -16.316 -25.703 1.00 0.00 H new ATOM 316 N MET A 26 35.306 -17.685 -26.759 1.00 0.00 N ATOM 317 CA MET A 26 36.692 -17.903 -27.266 1.00 0.00 C ATOM 318 C MET A 26 37.632 -18.168 -26.089 1.00 0.00 C ATOM 319 O MET A 26 37.355 -17.797 -24.965 1.00 0.00 O ATOM 320 CB MET A 26 37.165 -16.660 -28.023 1.00 0.00 C ATOM 321 CG MET A 26 36.664 -16.721 -29.468 1.00 0.00 C ATOM 322 SD MET A 26 37.966 -16.140 -30.583 1.00 0.00 S ATOM 323 CE MET A 26 38.770 -17.739 -30.851 1.00 0.00 C ATOM 0 H MET A 26 35.121 -16.754 -26.386 1.00 0.00 H new ATOM 0 HA MET A 26 36.698 -18.761 -27.938 1.00 0.00 H new ATOM 0 HB2 MET A 26 36.791 -15.760 -27.535 1.00 0.00 H new ATOM 0 HB3 MET A 26 38.253 -16.603 -28.006 1.00 0.00 H new ATOM 0 HG2 MET A 26 36.381 -17.742 -29.723 1.00 0.00 H new ATOM 0 HG3 MET A 26 35.772 -16.105 -29.581 1.00 0.00 H new ATOM 0 HE1 MET A 26 39.618 -17.612 -31.524 1.00 0.00 H new ATOM 0 HE2 MET A 26 39.119 -18.135 -29.897 1.00 0.00 H new ATOM 0 HE3 MET A 26 38.057 -18.435 -31.294 1.00 0.00 H new ATOM 333 N ALA A 27 38.744 -18.807 -26.336 1.00 0.00 N ATOM 334 CA ALA A 27 39.701 -19.094 -25.231 1.00 0.00 C ATOM 335 C ALA A 27 40.952 -18.233 -25.405 1.00 0.00 C ATOM 336 O ALA A 27 42.045 -18.737 -25.565 1.00 0.00 O ATOM 337 CB ALA A 27 40.094 -20.574 -25.265 1.00 0.00 C ATOM 0 H ALA A 27 39.030 -19.142 -27.256 1.00 0.00 H new ATOM 0 HA ALA A 27 39.230 -18.865 -24.275 1.00 0.00 H new ATOM 0 HB1 ALA A 27 40.794 -20.783 -24.456 1.00 0.00 H new ATOM 0 HB2 ALA A 27 39.203 -21.190 -25.142 1.00 0.00 H new ATOM 0 HB3 ALA A 27 40.565 -20.804 -26.221 1.00 0.00 H new ATOM 343 N ASN A 28 40.802 -16.936 -25.375 1.00 0.00 N ATOM 344 CA ASN A 28 41.982 -16.045 -25.538 1.00 0.00 C ATOM 345 C ASN A 28 41.512 -14.599 -25.724 1.00 0.00 C ATOM 346 O ASN A 28 41.968 -13.697 -25.050 1.00 0.00 O ATOM 347 CB ASN A 28 42.790 -16.484 -26.761 1.00 0.00 C ATOM 348 CG ASN A 28 41.844 -16.733 -27.935 1.00 0.00 C ATOM 349 OD1 ASN A 28 41.241 -17.784 -28.033 1.00 0.00 O ATOM 350 ND2 ASN A 28 41.685 -15.807 -28.837 1.00 0.00 N ATOM 0 H ASN A 28 39.911 -16.456 -25.244 1.00 0.00 H new ATOM 0 HA ASN A 28 42.609 -16.109 -24.649 1.00 0.00 H new ATOM 0 HB2 ASN A 28 43.518 -15.717 -27.024 1.00 0.00 H new ATOM 0 HB3 ASN A 28 43.351 -17.391 -26.533 1.00 0.00 H new ATOM 0 HD21 ASN A 28 41.055 -15.964 -29.624 1.00 0.00 H new ATOM 0 HD22 ASN A 28 42.190 -14.924 -28.756 1.00 0.00 H new ATOM 357 N LYS A 29 40.604 -14.370 -26.633 1.00 0.00 N ATOM 358 CA LYS A 29 40.108 -12.983 -26.859 1.00 0.00 C ATOM 359 C LYS A 29 39.122 -12.605 -25.751 1.00 0.00 C ATOM 360 O LYS A 29 37.935 -12.841 -25.856 1.00 0.00 O ATOM 361 CB LYS A 29 39.403 -12.908 -28.214 1.00 0.00 C ATOM 362 CG LYS A 29 40.365 -12.353 -29.265 1.00 0.00 C ATOM 363 CD LYS A 29 39.930 -12.834 -30.651 1.00 0.00 C ATOM 364 CE LYS A 29 40.852 -12.234 -31.714 1.00 0.00 C ATOM 365 NZ LYS A 29 41.787 -13.283 -32.207 1.00 0.00 N ATOM 0 H LYS A 29 40.184 -15.084 -27.229 1.00 0.00 H new ATOM 0 HA LYS A 29 40.950 -12.291 -26.848 1.00 0.00 H new ATOM 0 HB2 LYS A 29 39.057 -13.898 -28.510 1.00 0.00 H new ATOM 0 HB3 LYS A 29 38.521 -12.271 -28.141 1.00 0.00 H new ATOM 0 HG2 LYS A 29 40.371 -11.264 -29.230 1.00 0.00 H new ATOM 0 HG3 LYS A 29 41.382 -12.684 -29.055 1.00 0.00 H new ATOM 0 HD2 LYS A 29 39.965 -13.922 -30.697 1.00 0.00 H new ATOM 0 HD3 LYS A 29 38.898 -12.540 -30.842 1.00 0.00 H new ATOM 0 HE2 LYS A 29 40.263 -11.839 -32.541 1.00 0.00 H new ATOM 0 HE3 LYS A 29 41.413 -11.399 -31.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 42.415 -12.877 -32.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 42.358 -13.640 -31.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 41.243 -14.066 -32.622 1.00 0.00 H new ATOM 379 N THR A 30 39.604 -12.022 -24.689 1.00 0.00 N ATOM 380 CA THR A 30 38.695 -11.630 -23.574 1.00 0.00 C ATOM 381 C THR A 30 38.892 -10.144 -23.263 1.00 0.00 C ATOM 382 O THR A 30 39.870 -9.543 -23.662 1.00 0.00 O ATOM 383 CB THR A 30 39.030 -12.460 -22.332 1.00 0.00 C ATOM 384 OG1 THR A 30 38.661 -13.814 -22.556 1.00 0.00 O ATOM 385 CG2 THR A 30 38.268 -11.910 -21.125 1.00 0.00 C ATOM 0 H THR A 30 40.589 -11.800 -24.544 1.00 0.00 H new ATOM 0 HA THR A 30 37.659 -11.809 -23.863 1.00 0.00 H new ATOM 0 HB THR A 30 40.101 -12.404 -22.135 1.00 0.00 H new ATOM 0 HG1 THR A 30 38.876 -14.347 -21.763 1.00 0.00 H new ATOM 0 HG21 THR A 30 38.508 -12.503 -20.242 1.00 0.00 H new ATOM 0 HG22 THR A 30 38.556 -10.873 -20.955 1.00 0.00 H new ATOM 0 HG23 THR A 30 37.196 -11.962 -21.317 1.00 0.00 H new ATOM 393 N LEU A 31 37.976 -9.543 -22.551 1.00 0.00 N ATOM 394 CA LEU A 31 38.131 -8.097 -22.223 1.00 0.00 C ATOM 395 C LEU A 31 38.923 -7.961 -20.934 1.00 0.00 C ATOM 396 O LEU A 31 38.374 -7.661 -19.894 1.00 0.00 O ATOM 397 CB LEU A 31 36.780 -7.434 -22.009 1.00 0.00 C ATOM 398 CG LEU A 31 35.673 -8.238 -22.695 1.00 0.00 C ATOM 399 CD1 LEU A 31 34.395 -7.398 -22.758 1.00 0.00 C ATOM 400 CD2 LEU A 31 36.098 -8.600 -24.120 1.00 0.00 C ATOM 0 H LEU A 31 37.134 -9.987 -22.185 1.00 0.00 H new ATOM 0 HA LEU A 31 38.642 -7.616 -23.057 1.00 0.00 H new ATOM 0 HB2 LEU A 31 36.572 -7.355 -20.942 1.00 0.00 H new ATOM 0 HB3 LEU A 31 36.800 -6.419 -22.406 1.00 0.00 H new ATOM 0 HG LEU A 31 35.492 -9.149 -22.125 1.00 0.00 H new ATOM 0 HD11 LEU A 31 33.607 -7.971 -23.247 1.00 0.00 H new ATOM 0 HD12 LEU A 31 34.081 -7.137 -21.747 1.00 0.00 H new ATOM 0 HD13 LEU A 31 34.586 -6.487 -23.325 1.00 0.00 H new ATOM 0 HD21 LEU A 31 35.305 -9.172 -24.602 1.00 0.00 H new ATOM 0 HD22 LEU A 31 36.283 -7.688 -24.687 1.00 0.00 H new ATOM 0 HD23 LEU A 31 37.009 -9.198 -24.087 1.00 0.00 H new ATOM 412 N LYS A 32 40.198 -8.178 -20.968 1.00 0.00 N ATOM 413 CA LYS A 32 40.976 -8.042 -19.716 1.00 0.00 C ATOM 414 C LYS A 32 41.902 -6.829 -19.831 1.00 0.00 C ATOM 415 O LYS A 32 41.569 -5.741 -19.409 1.00 0.00 O ATOM 416 CB LYS A 32 41.805 -9.304 -19.478 1.00 0.00 C ATOM 417 CG LYS A 32 41.001 -10.290 -18.631 1.00 0.00 C ATOM 418 CD LYS A 32 40.668 -11.522 -19.471 1.00 0.00 C ATOM 419 CE LYS A 32 41.775 -12.562 -19.303 1.00 0.00 C ATOM 420 NZ LYS A 32 41.205 -13.802 -18.705 1.00 0.00 N ATOM 0 H LYS A 32 40.732 -8.441 -21.796 1.00 0.00 H new ATOM 0 HA LYS A 32 40.294 -7.905 -18.877 1.00 0.00 H new ATOM 0 HB2 LYS A 32 42.073 -9.761 -20.431 1.00 0.00 H new ATOM 0 HB3 LYS A 32 42.737 -9.050 -18.973 1.00 0.00 H new ATOM 0 HG2 LYS A 32 41.573 -10.580 -17.749 1.00 0.00 H new ATOM 0 HG3 LYS A 32 40.084 -9.819 -18.276 1.00 0.00 H new ATOM 0 HD2 LYS A 32 39.710 -11.940 -19.161 1.00 0.00 H new ATOM 0 HD3 LYS A 32 40.570 -11.245 -20.521 1.00 0.00 H new ATOM 0 HE2 LYS A 32 42.228 -12.786 -20.269 1.00 0.00 H new ATOM 0 HE3 LYS A 32 42.565 -12.168 -18.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 41.958 -14.510 -18.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 40.793 -13.582 -17.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 40.466 -14.181 -19.331 1.00 0.00 H new ATOM 434 N LYS A 33 43.058 -7.007 -20.409 1.00 0.00 N ATOM 435 CA LYS A 33 44.001 -5.863 -20.563 1.00 0.00 C ATOM 436 C LYS A 33 45.238 -6.317 -21.344 1.00 0.00 C ATOM 437 O LYS A 33 45.675 -5.660 -22.267 1.00 0.00 O ATOM 438 CB LYS A 33 44.429 -5.364 -19.182 1.00 0.00 C ATOM 439 CG LYS A 33 45.465 -4.248 -19.341 1.00 0.00 C ATOM 440 CD LYS A 33 44.758 -2.951 -19.736 1.00 0.00 C ATOM 441 CE LYS A 33 45.127 -2.589 -21.176 1.00 0.00 C ATOM 442 NZ LYS A 33 46.500 -2.009 -21.209 1.00 0.00 N ATOM 0 H LYS A 33 43.391 -7.896 -20.782 1.00 0.00 H new ATOM 0 HA LYS A 33 43.505 -5.058 -21.105 1.00 0.00 H new ATOM 0 HB2 LYS A 33 43.563 -4.995 -18.632 1.00 0.00 H new ATOM 0 HB3 LYS A 33 44.849 -6.185 -18.601 1.00 0.00 H new ATOM 0 HG2 LYS A 33 46.011 -4.108 -18.408 1.00 0.00 H new ATOM 0 HG3 LYS A 33 46.197 -4.522 -20.101 1.00 0.00 H new ATOM 0 HD2 LYS A 33 43.678 -3.070 -19.645 1.00 0.00 H new ATOM 0 HD3 LYS A 33 45.048 -2.146 -19.061 1.00 0.00 H new ATOM 0 HE2 LYS A 33 45.081 -3.476 -21.808 1.00 0.00 H new ATOM 0 HE3 LYS A 33 44.409 -1.874 -21.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 46.724 -1.701 -22.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 46.548 -1.193 -20.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 47.188 -2.728 -20.907 1.00 0.00 H new ATOM 456 N GLU A 34 45.814 -7.428 -20.974 1.00 0.00 N ATOM 457 CA GLU A 34 47.026 -7.910 -21.682 1.00 0.00 C ATOM 458 C GLU A 34 46.635 -8.665 -22.959 1.00 0.00 C ATOM 459 O GLU A 34 47.338 -8.625 -23.951 1.00 0.00 O ATOM 460 CB GLU A 34 47.818 -8.843 -20.762 1.00 0.00 C ATOM 461 CG GLU A 34 46.859 -9.809 -20.063 1.00 0.00 C ATOM 462 CD GLU A 34 47.500 -11.196 -19.986 1.00 0.00 C ATOM 463 OE1 GLU A 34 48.636 -11.279 -19.550 1.00 0.00 O ATOM 464 OE2 GLU A 34 46.842 -12.153 -20.362 1.00 0.00 O ATOM 0 H GLU A 34 45.494 -8.022 -20.209 1.00 0.00 H new ATOM 0 HA GLU A 34 47.639 -7.051 -21.954 1.00 0.00 H new ATOM 0 HB2 GLU A 34 48.555 -9.401 -21.340 1.00 0.00 H new ATOM 0 HB3 GLU A 34 48.367 -8.261 -20.022 1.00 0.00 H new ATOM 0 HG2 GLU A 34 46.627 -9.447 -19.061 1.00 0.00 H new ATOM 0 HG3 GLU A 34 45.917 -9.862 -20.609 1.00 0.00 H new ATOM 471 N ALA A 35 45.529 -9.358 -22.945 1.00 0.00 N ATOM 472 CA ALA A 35 45.107 -10.117 -24.150 1.00 0.00 C ATOM 473 C ALA A 35 44.661 -9.146 -25.239 1.00 0.00 C ATOM 474 O ALA A 35 45.171 -9.155 -26.340 1.00 0.00 O ATOM 475 CB ALA A 35 43.942 -11.042 -23.786 1.00 0.00 C ATOM 0 H ALA A 35 44.899 -9.430 -22.146 1.00 0.00 H new ATOM 0 HA ALA A 35 45.946 -10.710 -24.516 1.00 0.00 H new ATOM 0 HB1 ALA A 35 43.631 -11.600 -24.669 1.00 0.00 H new ATOM 0 HB2 ALA A 35 44.259 -11.738 -23.010 1.00 0.00 H new ATOM 0 HB3 ALA A 35 43.106 -10.447 -23.420 1.00 0.00 H new ATOM 481 N LEU A 36 43.708 -8.317 -24.940 1.00 0.00 N ATOM 482 CA LEU A 36 43.213 -7.340 -25.952 1.00 0.00 C ATOM 483 C LEU A 36 44.387 -6.545 -26.505 1.00 0.00 C ATOM 484 O LEU A 36 44.405 -6.162 -27.659 1.00 0.00 O ATOM 485 CB LEU A 36 42.210 -6.385 -25.303 1.00 0.00 C ATOM 486 CG LEU A 36 42.701 -6.012 -23.904 1.00 0.00 C ATOM 487 CD1 LEU A 36 42.370 -4.553 -23.616 1.00 0.00 C ATOM 488 CD2 LEU A 36 41.999 -6.889 -22.870 1.00 0.00 C ATOM 0 H LEU A 36 43.244 -8.270 -24.033 1.00 0.00 H new ATOM 0 HA LEU A 36 42.722 -7.879 -26.763 1.00 0.00 H new ATOM 0 HB2 LEU A 36 42.097 -5.488 -25.912 1.00 0.00 H new ATOM 0 HB3 LEU A 36 41.229 -6.855 -25.243 1.00 0.00 H new ATOM 0 HG LEU A 36 43.779 -6.162 -23.851 1.00 0.00 H new ATOM 0 HD11 LEU A 36 42.721 -4.290 -22.618 1.00 0.00 H new ATOM 0 HD12 LEU A 36 42.860 -3.916 -24.353 1.00 0.00 H new ATOM 0 HD13 LEU A 36 41.291 -4.407 -23.671 1.00 0.00 H new ATOM 0 HD21 LEU A 36 42.348 -6.625 -21.872 1.00 0.00 H new ATOM 0 HD22 LEU A 36 40.922 -6.733 -22.931 1.00 0.00 H new ATOM 0 HD23 LEU A 36 42.225 -7.937 -23.068 1.00 0.00 H new ATOM 500 N GLU A 37 45.365 -6.291 -25.691 1.00 0.00 N ATOM 501 CA GLU A 37 46.531 -5.522 -26.161 1.00 0.00 C ATOM 502 C GLU A 37 47.547 -6.478 -26.783 1.00 0.00 C ATOM 503 O GLU A 37 48.415 -6.085 -27.539 1.00 0.00 O ATOM 504 CB GLU A 37 47.138 -4.788 -24.977 1.00 0.00 C ATOM 505 CG GLU A 37 46.085 -3.825 -24.437 1.00 0.00 C ATOM 506 CD GLU A 37 46.474 -2.396 -24.810 1.00 0.00 C ATOM 507 OE1 GLU A 37 46.528 -2.110 -25.995 1.00 0.00 O ATOM 508 OE2 GLU A 37 46.708 -1.611 -23.907 1.00 0.00 O ATOM 0 H GLU A 37 45.403 -6.586 -24.715 1.00 0.00 H new ATOM 0 HA GLU A 37 46.232 -4.795 -26.916 1.00 0.00 H new ATOM 0 HB2 GLU A 37 47.442 -5.494 -24.204 1.00 0.00 H new ATOM 0 HB3 GLU A 37 48.032 -4.245 -25.282 1.00 0.00 H new ATOM 0 HG2 GLU A 37 45.106 -4.068 -24.851 1.00 0.00 H new ATOM 0 HG3 GLU A 37 46.007 -3.923 -23.354 1.00 0.00 H new ATOM 515 N GLN A 38 47.420 -7.739 -26.486 1.00 0.00 N ATOM 516 CA GLN A 38 48.323 -8.751 -27.050 1.00 0.00 C ATOM 517 C GLN A 38 48.031 -8.847 -28.544 1.00 0.00 C ATOM 518 O GLN A 38 48.910 -8.747 -29.377 1.00 0.00 O ATOM 519 CB GLN A 38 48.019 -10.088 -26.380 1.00 0.00 C ATOM 520 CG GLN A 38 48.712 -11.190 -27.155 1.00 0.00 C ATOM 521 CD GLN A 38 50.220 -11.050 -26.955 1.00 0.00 C ATOM 522 OE1 GLN A 38 50.837 -11.856 -26.289 1.00 0.00 O ATOM 523 NE2 GLN A 38 50.840 -10.048 -27.513 1.00 0.00 N ATOM 0 H GLN A 38 46.706 -8.110 -25.859 1.00 0.00 H new ATOM 0 HA GLN A 38 49.369 -8.491 -26.887 1.00 0.00 H new ATOM 0 HB2 GLN A 38 48.364 -10.079 -25.346 1.00 0.00 H new ATOM 0 HB3 GLN A 38 46.943 -10.262 -26.356 1.00 0.00 H new ATOM 0 HG2 GLN A 38 48.373 -12.167 -26.809 1.00 0.00 H new ATOM 0 HG3 GLN A 38 48.463 -11.123 -28.214 1.00 0.00 H new ATOM 0 HE21 GLN A 38 50.318 -9.373 -28.072 1.00 0.00 H new ATOM 0 HE22 GLN A 38 51.847 -9.939 -27.391 1.00 0.00 H new ATOM 532 N PHE A 39 46.782 -8.996 -28.888 1.00 0.00 N ATOM 533 CA PHE A 39 46.413 -9.051 -30.320 1.00 0.00 C ATOM 534 C PHE A 39 46.224 -7.629 -30.837 1.00 0.00 C ATOM 535 O PHE A 39 47.075 -7.075 -31.505 1.00 0.00 O ATOM 536 CB PHE A 39 45.098 -9.801 -30.548 1.00 0.00 C ATOM 537 CG PHE A 39 44.553 -10.401 -29.272 1.00 0.00 C ATOM 538 CD1 PHE A 39 44.910 -11.700 -28.895 1.00 0.00 C ATOM 539 CD2 PHE A 39 43.661 -9.663 -28.483 1.00 0.00 C ATOM 540 CE1 PHE A 39 44.376 -12.261 -27.728 1.00 0.00 C ATOM 541 CE2 PHE A 39 43.130 -10.221 -27.314 1.00 0.00 C ATOM 542 CZ PHE A 39 43.489 -11.521 -26.936 1.00 0.00 C ATOM 0 H PHE A 39 46.004 -9.082 -28.234 1.00 0.00 H new ATOM 0 HA PHE A 39 47.213 -9.574 -30.843 1.00 0.00 H new ATOM 0 HB2 PHE A 39 44.361 -9.118 -30.970 1.00 0.00 H new ATOM 0 HB3 PHE A 39 45.256 -10.592 -31.281 1.00 0.00 H new ATOM 0 HD1 PHE A 39 45.597 -12.270 -29.503 1.00 0.00 H new ATOM 0 HD2 PHE A 39 43.383 -8.662 -28.777 1.00 0.00 H new ATOM 0 HE1 PHE A 39 44.648 -13.265 -27.439 1.00 0.00 H new ATOM 0 HE2 PHE A 39 42.445 -9.650 -26.705 1.00 0.00 H new ATOM 0 HZ PHE A 39 43.082 -11.953 -26.034 1.00 0.00 H new ATOM 552 N GLY A 40 45.104 -7.041 -30.534 1.00 0.00 N ATOM 553 CA GLY A 40 44.833 -5.660 -31.003 1.00 0.00 C ATOM 554 C GLY A 40 43.332 -5.384 -30.891 1.00 0.00 C ATOM 555 O GLY A 40 42.586 -5.579 -31.828 1.00 0.00 O ATOM 0 H GLY A 40 44.360 -7.462 -29.977 1.00 0.00 H new ATOM 0 HA2 GLY A 40 45.394 -4.942 -30.405 1.00 0.00 H new ATOM 0 HA3 GLY A 40 45.162 -5.541 -32.035 1.00 0.00 H new ATOM 559 N MET A 41 42.880 -4.948 -29.747 1.00 0.00 N ATOM 560 CA MET A 41 41.423 -4.680 -29.578 1.00 0.00 C ATOM 561 C MET A 41 41.196 -3.888 -28.293 1.00 0.00 C ATOM 562 O MET A 41 40.146 -3.958 -27.684 1.00 0.00 O ATOM 563 CB MET A 41 40.688 -6.014 -29.480 1.00 0.00 C ATOM 564 CG MET A 41 40.969 -6.657 -28.117 1.00 0.00 C ATOM 565 SD MET A 41 40.935 -8.459 -28.297 1.00 0.00 S ATOM 566 CE MET A 41 40.196 -8.828 -26.686 1.00 0.00 C ATOM 0 H MET A 41 43.454 -4.766 -28.924 1.00 0.00 H new ATOM 0 HA MET A 41 41.051 -4.107 -30.427 1.00 0.00 H new ATOM 0 HB2 MET A 41 39.616 -5.860 -29.607 1.00 0.00 H new ATOM 0 HB3 MET A 41 41.012 -6.679 -30.281 1.00 0.00 H new ATOM 0 HG2 MET A 41 41.940 -6.334 -27.742 1.00 0.00 H new ATOM 0 HG3 MET A 41 40.224 -6.337 -27.389 1.00 0.00 H new ATOM 0 HE1 MET A 41 39.550 -9.702 -26.774 1.00 0.00 H new ATOM 0 HE2 MET A 41 40.985 -9.031 -25.962 1.00 0.00 H new ATOM 0 HE3 MET A 41 39.608 -7.974 -26.351 1.00 0.00 H new ATOM 576 N TYR A 42 42.176 -3.151 -27.868 1.00 0.00 N ATOM 577 CA TYR A 42 42.031 -2.370 -26.614 1.00 0.00 C ATOM 578 C TYR A 42 41.825 -0.893 -26.952 1.00 0.00 C ATOM 579 O TYR A 42 41.907 -0.032 -26.098 1.00 0.00 O ATOM 580 CB TYR A 42 43.307 -2.549 -25.795 1.00 0.00 C ATOM 581 CG TYR A 42 43.305 -1.608 -24.611 1.00 0.00 C ATOM 582 CD1 TYR A 42 42.304 -1.696 -23.634 1.00 0.00 C ATOM 583 CD2 TYR A 42 44.317 -0.650 -24.485 1.00 0.00 C ATOM 584 CE1 TYR A 42 42.319 -0.830 -22.534 1.00 0.00 C ATOM 585 CE2 TYR A 42 44.333 0.216 -23.384 1.00 0.00 C ATOM 586 CZ TYR A 42 43.335 0.125 -22.407 1.00 0.00 C ATOM 587 OH TYR A 42 43.351 0.976 -21.322 1.00 0.00 O ATOM 0 H TYR A 42 43.077 -3.055 -28.337 1.00 0.00 H new ATOM 0 HA TYR A 42 41.170 -2.718 -26.043 1.00 0.00 H new ATOM 0 HB2 TYR A 42 43.384 -3.580 -25.449 1.00 0.00 H new ATOM 0 HB3 TYR A 42 44.179 -2.356 -26.420 1.00 0.00 H new ATOM 0 HD1 TYR A 42 41.520 -2.433 -23.730 1.00 0.00 H new ATOM 0 HD2 TYR A 42 45.088 -0.578 -25.238 1.00 0.00 H new ATOM 0 HE1 TYR A 42 41.546 -0.899 -21.783 1.00 0.00 H new ATOM 0 HE2 TYR A 42 45.116 0.954 -23.289 1.00 0.00 H new ATOM 0 HH TYR A 42 42.431 1.201 -21.069 1.00 0.00 H new ATOM 597 N SER A 43 41.569 -0.595 -28.196 1.00 0.00 N ATOM 598 CA SER A 43 41.372 0.826 -28.598 1.00 0.00 C ATOM 599 C SER A 43 39.888 1.112 -28.853 1.00 0.00 C ATOM 600 O SER A 43 39.175 0.306 -29.415 1.00 0.00 O ATOM 601 CB SER A 43 42.161 1.092 -29.870 1.00 0.00 C ATOM 602 OG SER A 43 43.277 1.916 -29.571 1.00 0.00 O ATOM 0 H SER A 43 41.488 -1.275 -28.952 1.00 0.00 H new ATOM 0 HA SER A 43 41.720 1.475 -27.794 1.00 0.00 H new ATOM 0 HB2 SER A 43 42.497 0.151 -30.306 1.00 0.00 H new ATOM 0 HB3 SER A 43 41.525 1.577 -30.610 1.00 0.00 H new ATOM 0 HG SER A 43 43.787 2.086 -30.390 1.00 0.00 H new ATOM 608 N GLU A 44 39.424 2.263 -28.443 1.00 0.00 N ATOM 609 CA GLU A 44 37.996 2.629 -28.659 1.00 0.00 C ATOM 610 C GLU A 44 37.578 2.279 -30.085 1.00 0.00 C ATOM 611 O GLU A 44 36.712 1.467 -30.293 1.00 0.00 O ATOM 612 CB GLU A 44 37.823 4.133 -28.431 1.00 0.00 C ATOM 613 CG GLU A 44 36.876 4.363 -27.250 1.00 0.00 C ATOM 614 CD GLU A 44 36.263 5.761 -27.352 1.00 0.00 C ATOM 615 OE1 GLU A 44 36.986 6.720 -27.137 1.00 0.00 O ATOM 616 OE2 GLU A 44 35.082 5.849 -27.641 1.00 0.00 O ATOM 0 H GLU A 44 39.980 2.971 -27.963 1.00 0.00 H new ATOM 0 HA GLU A 44 37.371 2.074 -27.959 1.00 0.00 H new ATOM 0 HB2 GLU A 44 38.790 4.595 -28.231 1.00 0.00 H new ATOM 0 HB3 GLU A 44 37.423 4.604 -29.329 1.00 0.00 H new ATOM 0 HG2 GLU A 44 36.089 3.609 -27.249 1.00 0.00 H new ATOM 0 HG3 GLU A 44 37.418 4.260 -26.310 1.00 0.00 H new ATOM 623 N ASP A 45 38.171 2.887 -31.069 1.00 0.00 N ATOM 624 CA ASP A 45 37.777 2.580 -32.470 1.00 0.00 C ATOM 625 C ASP A 45 37.733 1.064 -32.697 1.00 0.00 C ATOM 626 O ASP A 45 36.932 0.567 -33.464 1.00 0.00 O ATOM 627 CB ASP A 45 38.780 3.202 -33.425 1.00 0.00 C ATOM 628 CG ASP A 45 38.296 3.020 -34.864 1.00 0.00 C ATOM 629 OD1 ASP A 45 37.765 1.961 -35.160 1.00 0.00 O ATOM 630 OD2 ASP A 45 38.462 3.940 -35.646 1.00 0.00 O ATOM 0 H ASP A 45 38.910 3.582 -30.966 1.00 0.00 H new ATOM 0 HA ASP A 45 36.785 2.992 -32.652 1.00 0.00 H new ATOM 0 HB2 ASP A 45 38.901 4.262 -33.202 1.00 0.00 H new ATOM 0 HB3 ASP A 45 39.757 2.736 -33.297 1.00 0.00 H new ATOM 635 N ALA A 46 38.591 0.330 -32.046 1.00 0.00 N ATOM 636 CA ALA A 46 38.608 -1.152 -32.233 1.00 0.00 C ATOM 637 C ALA A 46 37.309 -1.764 -31.712 1.00 0.00 C ATOM 638 O ALA A 46 36.437 -2.144 -32.470 1.00 0.00 O ATOM 639 CB ALA A 46 39.791 -1.747 -31.466 1.00 0.00 C ATOM 0 H ALA A 46 39.284 0.691 -31.390 1.00 0.00 H new ATOM 0 HA ALA A 46 38.705 -1.375 -33.296 1.00 0.00 H new ATOM 0 HB1 ALA A 46 39.805 -2.829 -31.601 1.00 0.00 H new ATOM 0 HB2 ALA A 46 40.721 -1.322 -31.844 1.00 0.00 H new ATOM 0 HB3 ALA A 46 39.691 -1.515 -30.406 1.00 0.00 H new ATOM 645 N ILE A 47 37.181 -1.872 -30.422 1.00 0.00 N ATOM 646 CA ILE A 47 35.953 -2.472 -29.834 1.00 0.00 C ATOM 647 C ILE A 47 34.736 -1.595 -30.123 1.00 0.00 C ATOM 648 O ILE A 47 33.608 -1.961 -29.868 1.00 0.00 O ATOM 649 CB ILE A 47 36.171 -2.618 -28.344 1.00 0.00 C ATOM 650 CG1 ILE A 47 34.996 -3.352 -27.697 1.00 0.00 C ATOM 651 CG2 ILE A 47 36.324 -1.240 -27.703 1.00 0.00 C ATOM 652 CD1 ILE A 47 35.034 -3.126 -26.182 1.00 0.00 C ATOM 0 H ILE A 47 37.879 -1.568 -29.744 1.00 0.00 H new ATOM 0 HA ILE A 47 35.761 -3.449 -30.278 1.00 0.00 H new ATOM 0 HB ILE A 47 37.080 -3.198 -28.185 1.00 0.00 H new ATOM 0 HG12 ILE A 47 34.054 -2.988 -28.108 1.00 0.00 H new ATOM 0 HG13 ILE A 47 35.050 -4.418 -27.919 1.00 0.00 H new ATOM 0 HG21 ILE A 47 36.481 -1.353 -26.630 1.00 0.00 H new ATOM 0 HG22 ILE A 47 37.180 -0.727 -28.143 1.00 0.00 H new ATOM 0 HG23 ILE A 47 35.421 -0.655 -27.878 1.00 0.00 H new ATOM 0 HD11 ILE A 47 34.198 -3.647 -25.715 1.00 0.00 H new ATOM 0 HD12 ILE A 47 35.971 -3.511 -25.780 1.00 0.00 H new ATOM 0 HD13 ILE A 47 34.959 -2.059 -25.971 1.00 0.00 H new ATOM 664 N ILE A 48 34.951 -0.452 -30.682 1.00 0.00 N ATOM 665 CA ILE A 48 33.800 0.424 -31.023 1.00 0.00 C ATOM 666 C ILE A 48 33.168 -0.151 -32.295 1.00 0.00 C ATOM 667 O ILE A 48 31.963 -0.288 -32.404 1.00 0.00 O ATOM 668 CB ILE A 48 34.289 1.863 -31.249 1.00 0.00 C ATOM 669 CG1 ILE A 48 34.424 2.574 -29.900 1.00 0.00 C ATOM 670 CG2 ILE A 48 33.288 2.633 -32.103 1.00 0.00 C ATOM 671 CD1 ILE A 48 35.079 3.940 -30.106 1.00 0.00 C ATOM 0 H ILE A 48 35.870 -0.080 -30.920 1.00 0.00 H new ATOM 0 HA ILE A 48 33.067 0.454 -30.217 1.00 0.00 H new ATOM 0 HB ILE A 48 35.252 1.827 -31.758 1.00 0.00 H new ATOM 0 HG12 ILE A 48 33.443 2.695 -29.441 1.00 0.00 H new ATOM 0 HG13 ILE A 48 35.023 1.971 -29.218 1.00 0.00 H new ATOM 0 HG21 ILE A 48 33.647 3.651 -32.255 1.00 0.00 H new ATOM 0 HG22 ILE A 48 33.177 2.139 -33.068 1.00 0.00 H new ATOM 0 HG23 ILE A 48 32.323 2.660 -31.597 1.00 0.00 H new ATOM 0 HD11 ILE A 48 35.175 4.446 -29.145 1.00 0.00 H new ATOM 0 HD12 ILE A 48 36.067 3.807 -30.546 1.00 0.00 H new ATOM 0 HD13 ILE A 48 34.462 4.542 -30.773 1.00 0.00 H new ATOM 683 N TYR A 49 33.990 -0.538 -33.237 1.00 0.00 N ATOM 684 CA TYR A 49 33.467 -1.157 -34.487 1.00 0.00 C ATOM 685 C TYR A 49 33.356 -2.667 -34.271 1.00 0.00 C ATOM 686 O TYR A 49 32.881 -3.396 -35.117 1.00 0.00 O ATOM 687 CB TYR A 49 34.424 -0.886 -35.645 1.00 0.00 C ATOM 688 CG TYR A 49 33.981 -1.706 -36.828 1.00 0.00 C ATOM 689 CD1 TYR A 49 33.024 -1.197 -37.708 1.00 0.00 C ATOM 690 CD2 TYR A 49 34.516 -2.982 -37.034 1.00 0.00 C ATOM 691 CE1 TYR A 49 32.598 -1.963 -38.796 1.00 0.00 C ATOM 692 CE2 TYR A 49 34.090 -3.750 -38.121 1.00 0.00 C ATOM 693 CZ TYR A 49 33.131 -3.241 -39.005 1.00 0.00 C ATOM 694 OH TYR A 49 32.708 -3.998 -40.079 1.00 0.00 O ATOM 0 H TYR A 49 35.005 -0.450 -33.191 1.00 0.00 H new ATOM 0 HA TYR A 49 32.492 -0.732 -34.726 1.00 0.00 H new ATOM 0 HB2 TYR A 49 34.424 0.174 -35.897 1.00 0.00 H new ATOM 0 HB3 TYR A 49 35.444 -1.147 -35.363 1.00 0.00 H new ATOM 0 HD1 TYR A 49 32.613 -0.211 -37.548 1.00 0.00 H new ATOM 0 HD2 TYR A 49 35.258 -3.373 -36.353 1.00 0.00 H new ATOM 0 HE1 TYR A 49 31.857 -1.569 -39.476 1.00 0.00 H new ATOM 0 HE2 TYR A 49 34.501 -4.736 -38.279 1.00 0.00 H new ATOM 0 HH TYR A 49 33.178 -4.858 -40.078 1.00 0.00 H new ATOM 704 N GLN A 50 33.784 -3.144 -33.136 1.00 0.00 N ATOM 705 CA GLN A 50 33.689 -4.598 -32.857 1.00 0.00 C ATOM 706 C GLN A 50 32.467 -4.815 -31.946 1.00 0.00 C ATOM 707 O GLN A 50 31.978 -5.914 -31.786 1.00 0.00 O ATOM 708 CB GLN A 50 35.012 -5.062 -32.215 1.00 0.00 C ATOM 709 CG GLN A 50 34.788 -6.069 -31.082 1.00 0.00 C ATOM 710 CD GLN A 50 34.168 -5.380 -29.872 1.00 0.00 C ATOM 711 OE1 GLN A 50 33.938 -4.196 -29.892 1.00 0.00 O ATOM 712 NE2 GLN A 50 33.871 -6.082 -28.819 1.00 0.00 N ATOM 0 H GLN A 50 34.196 -2.585 -32.389 1.00 0.00 H new ATOM 0 HA GLN A 50 33.548 -5.191 -33.761 1.00 0.00 H new ATOM 0 HB2 GLN A 50 35.645 -5.513 -32.979 1.00 0.00 H new ATOM 0 HB3 GLN A 50 35.548 -4.196 -31.827 1.00 0.00 H new ATOM 0 HG2 GLN A 50 34.136 -6.872 -31.425 1.00 0.00 H new ATOM 0 HG3 GLN A 50 35.737 -6.527 -30.801 1.00 0.00 H new ATOM 0 HE21 GLN A 50 34.065 -7.083 -28.802 1.00 0.00 H new ATOM 0 HE22 GLN A 50 33.443 -5.632 -28.010 1.00 0.00 H new ATOM 721 N VAL A 51 31.948 -3.749 -31.381 1.00 0.00 N ATOM 722 CA VAL A 51 30.734 -3.858 -30.523 1.00 0.00 C ATOM 723 C VAL A 51 29.515 -3.631 -31.418 1.00 0.00 C ATOM 724 O VAL A 51 28.543 -4.360 -31.383 1.00 0.00 O ATOM 725 CB VAL A 51 30.744 -2.753 -29.460 1.00 0.00 C ATOM 726 CG1 VAL A 51 29.349 -2.623 -28.841 1.00 0.00 C ATOM 727 CG2 VAL A 51 31.742 -3.091 -28.354 1.00 0.00 C ATOM 0 H VAL A 51 32.319 -2.804 -31.481 1.00 0.00 H new ATOM 0 HA VAL A 51 30.709 -4.834 -30.039 1.00 0.00 H new ATOM 0 HB VAL A 51 31.033 -1.816 -29.936 1.00 0.00 H new ATOM 0 HG11 VAL A 51 29.358 -1.837 -28.086 1.00 0.00 H new ATOM 0 HG12 VAL A 51 28.628 -2.371 -29.619 1.00 0.00 H new ATOM 0 HG13 VAL A 51 29.067 -3.568 -28.378 1.00 0.00 H new ATOM 0 HG21 VAL A 51 31.739 -2.298 -27.606 1.00 0.00 H new ATOM 0 HG22 VAL A 51 31.460 -4.033 -27.885 1.00 0.00 H new ATOM 0 HG23 VAL A 51 32.741 -3.183 -28.781 1.00 0.00 H new ATOM 737 N GLN A 52 29.580 -2.599 -32.217 1.00 0.00 N ATOM 738 CA GLN A 52 28.455 -2.254 -33.129 1.00 0.00 C ATOM 739 C GLN A 52 28.155 -3.410 -34.068 1.00 0.00 C ATOM 740 O GLN A 52 27.145 -3.425 -34.743 1.00 0.00 O ATOM 741 CB GLN A 52 28.860 -1.060 -33.967 1.00 0.00 C ATOM 742 CG GLN A 52 27.964 0.139 -33.646 1.00 0.00 C ATOM 743 CD GLN A 52 28.834 1.377 -33.416 1.00 0.00 C ATOM 744 OE1 GLN A 52 28.597 2.415 -34.002 1.00 0.00 O ATOM 745 NE2 GLN A 52 29.837 1.312 -32.585 1.00 0.00 N ATOM 0 H GLN A 52 30.381 -1.970 -32.275 1.00 0.00 H new ATOM 0 HA GLN A 52 27.571 -2.036 -32.530 1.00 0.00 H new ATOM 0 HB2 GLN A 52 29.902 -0.807 -33.773 1.00 0.00 H new ATOM 0 HB3 GLN A 52 28.784 -1.307 -35.026 1.00 0.00 H new ATOM 0 HG2 GLN A 52 27.268 0.317 -34.466 1.00 0.00 H new ATOM 0 HG3 GLN A 52 27.365 -0.068 -32.759 1.00 0.00 H new ATOM 0 HE21 GLN A 52 30.036 0.441 -32.093 1.00 0.00 H new ATOM 0 HE22 GLN A 52 30.422 2.132 -32.427 1.00 0.00 H new ATOM 754 N HIS A 53 29.022 -4.370 -34.136 1.00 0.00 N ATOM 755 CA HIS A 53 28.787 -5.503 -35.046 1.00 0.00 C ATOM 756 C HIS A 53 29.475 -6.712 -34.459 1.00 0.00 C ATOM 757 O HIS A 53 29.809 -7.651 -35.154 1.00 0.00 O ATOM 758 CB HIS A 53 29.403 -5.219 -36.399 1.00 0.00 C ATOM 759 CG HIS A 53 29.640 -3.740 -36.591 1.00 0.00 C ATOM 760 ND1 HIS A 53 29.101 -3.040 -37.660 1.00 0.00 N ATOM 761 CD2 HIS A 53 30.366 -2.821 -35.871 1.00 0.00 C ATOM 762 CE1 HIS A 53 29.510 -1.761 -37.554 1.00 0.00 C ATOM 763 NE2 HIS A 53 30.284 -1.575 -36.484 1.00 0.00 N ATOM 0 H HIS A 53 29.886 -4.416 -33.596 1.00 0.00 H new ATOM 0 HA HIS A 53 27.716 -5.667 -35.164 1.00 0.00 H new ATOM 0 HB2 HIS A 53 30.347 -5.756 -36.492 1.00 0.00 H new ATOM 0 HB3 HIS A 53 28.746 -5.590 -37.186 1.00 0.00 H new ATOM 0 HD2 HIS A 53 30.917 -3.034 -34.967 1.00 0.00 H new ATOM 0 HE1 HIS A 53 29.243 -0.980 -38.251 1.00 0.00 H new ATOM 0 HE2 HIS A 53 30.722 -0.705 -36.180 1.00 0.00 H new ATOM 771 N GLY A 54 29.726 -6.689 -33.184 1.00 0.00 N ATOM 772 CA GLY A 54 30.426 -7.829 -32.583 1.00 0.00 C ATOM 773 C GLY A 54 31.690 -8.051 -33.385 1.00 0.00 C ATOM 774 O GLY A 54 32.423 -7.132 -33.689 1.00 0.00 O ATOM 0 H GLY A 54 29.476 -5.934 -32.545 1.00 0.00 H new ATOM 0 HA2 GLY A 54 30.663 -7.627 -31.538 1.00 0.00 H new ATOM 0 HA3 GLY A 54 29.798 -8.719 -32.601 1.00 0.00 H new ATOM 778 N LYS A 55 31.911 -9.261 -33.739 1.00 0.00 N ATOM 779 CA LYS A 55 33.106 -9.625 -34.562 1.00 0.00 C ATOM 780 C LYS A 55 33.437 -11.097 -34.364 1.00 0.00 C ATOM 781 O LYS A 55 33.481 -11.595 -33.257 1.00 0.00 O ATOM 782 CB LYS A 55 34.308 -8.766 -34.161 1.00 0.00 C ATOM 783 CG LYS A 55 34.644 -7.726 -35.255 1.00 0.00 C ATOM 784 CD LYS A 55 33.413 -7.325 -36.088 1.00 0.00 C ATOM 785 CE LYS A 55 33.527 -7.935 -37.486 1.00 0.00 C ATOM 786 NZ LYS A 55 32.175 -8.022 -38.104 1.00 0.00 N ATOM 0 H LYS A 55 31.309 -10.047 -33.495 1.00 0.00 H new ATOM 0 HA LYS A 55 32.879 -9.443 -35.612 1.00 0.00 H new ATOM 0 HB2 LYS A 55 34.095 -8.254 -33.222 1.00 0.00 H new ATOM 0 HB3 LYS A 55 35.173 -9.406 -33.986 1.00 0.00 H new ATOM 0 HG2 LYS A 55 35.068 -6.837 -34.788 1.00 0.00 H new ATOM 0 HG3 LYS A 55 35.409 -8.134 -35.916 1.00 0.00 H new ATOM 0 HD2 LYS A 55 32.502 -7.672 -35.601 1.00 0.00 H new ATOM 0 HD3 LYS A 55 33.344 -6.239 -36.157 1.00 0.00 H new ATOM 0 HE2 LYS A 55 34.184 -7.326 -38.107 1.00 0.00 H new ATOM 0 HE3 LYS A 55 33.975 -8.927 -37.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 32.254 -8.437 -39.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 31.562 -8.621 -37.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 31.764 -7.069 -38.175 1.00 0.00 H new ATOM 800 N ASN A 56 33.663 -11.794 -35.442 1.00 0.00 N ATOM 801 CA ASN A 56 33.987 -13.241 -35.353 1.00 0.00 C ATOM 802 C ASN A 56 32.793 -13.984 -34.748 1.00 0.00 C ATOM 803 O ASN A 56 31.947 -14.495 -35.455 1.00 0.00 O ATOM 804 CB ASN A 56 35.217 -13.443 -34.473 1.00 0.00 C ATOM 805 CG ASN A 56 36.453 -12.900 -35.193 1.00 0.00 C ATOM 806 OD1 ASN A 56 37.047 -13.584 -36.003 1.00 0.00 O ATOM 807 ND2 ASN A 56 36.870 -11.692 -34.927 1.00 0.00 N ATOM 0 H ASN A 56 33.636 -11.417 -36.389 1.00 0.00 H new ATOM 0 HA ASN A 56 34.197 -13.630 -36.349 1.00 0.00 H new ATOM 0 HB2 ASN A 56 35.084 -12.931 -33.520 1.00 0.00 H new ATOM 0 HB3 ASN A 56 35.348 -14.502 -34.250 1.00 0.00 H new ATOM 0 HD21 ASN A 56 37.695 -11.322 -35.399 1.00 0.00 H new ATOM 0 HD22 ASN A 56 36.371 -11.118 -34.247 1.00 0.00 H new ATOM 814 N ALA A 57 32.714 -14.046 -33.446 1.00 0.00 N ATOM 815 CA ALA A 57 31.571 -14.752 -32.804 1.00 0.00 C ATOM 816 C ALA A 57 30.965 -13.867 -31.707 1.00 0.00 C ATOM 817 O ALA A 57 30.670 -14.325 -30.621 1.00 0.00 O ATOM 818 CB ALA A 57 32.067 -16.062 -32.188 1.00 0.00 C ATOM 0 H ALA A 57 33.391 -13.639 -32.801 1.00 0.00 H new ATOM 0 HA ALA A 57 30.809 -14.965 -33.554 1.00 0.00 H new ATOM 0 HB1 ALA A 57 31.233 -16.581 -31.717 1.00 0.00 H new ATOM 0 HB2 ALA A 57 32.493 -16.693 -32.968 1.00 0.00 H new ATOM 0 HB3 ALA A 57 32.829 -15.846 -31.439 1.00 0.00 H new ATOM 824 N MET A 58 30.774 -12.602 -31.980 1.00 0.00 N ATOM 825 CA MET A 58 30.185 -11.696 -30.949 1.00 0.00 C ATOM 826 C MET A 58 29.004 -10.926 -31.568 1.00 0.00 C ATOM 827 O MET A 58 29.021 -10.608 -32.740 1.00 0.00 O ATOM 828 CB MET A 58 31.280 -10.750 -30.437 1.00 0.00 C ATOM 829 CG MET A 58 30.684 -9.493 -29.797 1.00 0.00 C ATOM 830 SD MET A 58 31.991 -8.257 -29.586 1.00 0.00 S ATOM 831 CE MET A 58 30.980 -7.005 -28.760 1.00 0.00 C ATOM 0 H MET A 58 31.000 -12.158 -32.870 1.00 0.00 H new ATOM 0 HA MET A 58 29.804 -12.266 -30.101 1.00 0.00 H new ATOM 0 HB2 MET A 58 31.900 -11.271 -29.708 1.00 0.00 H new ATOM 0 HB3 MET A 58 31.931 -10.465 -31.263 1.00 0.00 H new ATOM 0 HG2 MET A 58 29.887 -9.094 -30.424 1.00 0.00 H new ATOM 0 HG3 MET A 58 30.239 -9.737 -28.833 1.00 0.00 H new ATOM 0 HE1 MET A 58 31.534 -6.068 -28.706 1.00 0.00 H new ATOM 0 HE2 MET A 58 30.060 -6.851 -29.323 1.00 0.00 H new ATOM 0 HE3 MET A 58 30.737 -7.341 -27.752 1.00 0.00 H new ATOM 841 N PRO A 59 27.992 -10.698 -30.764 1.00 0.00 N ATOM 842 CA PRO A 59 26.744 -10.015 -31.194 1.00 0.00 C ATOM 843 C PRO A 59 26.864 -8.512 -31.460 1.00 0.00 C ATOM 844 O PRO A 59 27.092 -7.724 -30.565 1.00 0.00 O ATOM 845 CB PRO A 59 25.792 -10.239 -30.018 1.00 0.00 C ATOM 846 CG PRO A 59 26.668 -10.558 -28.793 1.00 0.00 C ATOM 847 CD PRO A 59 27.990 -11.107 -29.341 1.00 0.00 C ATOM 0 HA PRO A 59 26.423 -10.422 -32.153 1.00 0.00 H new ATOM 0 HB2 PRO A 59 25.184 -9.352 -29.838 1.00 0.00 H new ATOM 0 HB3 PRO A 59 25.106 -11.059 -30.227 1.00 0.00 H new ATOM 0 HG2 PRO A 59 26.837 -9.664 -28.193 1.00 0.00 H new ATOM 0 HG3 PRO A 59 26.182 -11.289 -28.147 1.00 0.00 H new ATOM 0 HD2 PRO A 59 28.845 -10.693 -28.807 1.00 0.00 H new ATOM 0 HD3 PRO A 59 28.044 -12.191 -29.238 1.00 0.00 H new ATOM 855 N ALA A 60 26.624 -8.113 -32.689 1.00 0.00 N ATOM 856 CA ALA A 60 26.621 -6.670 -33.030 1.00 0.00 C ATOM 857 C ALA A 60 25.890 -5.909 -31.927 1.00 0.00 C ATOM 858 O ALA A 60 25.198 -6.491 -31.115 1.00 0.00 O ATOM 859 CB ALA A 60 25.846 -6.488 -34.337 1.00 0.00 C ATOM 0 H ALA A 60 26.429 -8.739 -33.471 1.00 0.00 H new ATOM 0 HA ALA A 60 27.641 -6.301 -33.132 1.00 0.00 H new ATOM 0 HB1 ALA A 60 25.831 -5.432 -34.607 1.00 0.00 H new ATOM 0 HB2 ALA A 60 26.330 -7.059 -35.130 1.00 0.00 H new ATOM 0 HB3 ALA A 60 24.824 -6.844 -34.206 1.00 0.00 H new ATOM 865 N PHE A 61 26.019 -4.617 -31.895 1.00 0.00 N ATOM 866 CA PHE A 61 25.319 -3.843 -30.860 1.00 0.00 C ATOM 867 C PHE A 61 24.753 -2.561 -31.458 1.00 0.00 C ATOM 868 O PHE A 61 24.261 -1.702 -30.756 1.00 0.00 O ATOM 869 CB PHE A 61 26.280 -3.525 -29.727 1.00 0.00 C ATOM 870 CG PHE A 61 26.324 -4.708 -28.798 1.00 0.00 C ATOM 871 CD1 PHE A 61 25.227 -4.981 -27.980 1.00 0.00 C ATOM 872 CD2 PHE A 61 27.459 -5.522 -28.746 1.00 0.00 C ATOM 873 CE1 PHE A 61 25.263 -6.068 -27.104 1.00 0.00 C ATOM 874 CE2 PHE A 61 27.498 -6.606 -27.867 1.00 0.00 C ATOM 875 CZ PHE A 61 26.401 -6.876 -27.047 1.00 0.00 C ATOM 0 H PHE A 61 26.582 -4.069 -32.545 1.00 0.00 H new ATOM 0 HA PHE A 61 24.491 -4.432 -30.466 1.00 0.00 H new ATOM 0 HB2 PHE A 61 27.274 -3.314 -30.121 1.00 0.00 H new ATOM 0 HB3 PHE A 61 25.954 -2.634 -29.191 1.00 0.00 H new ATOM 0 HD1 PHE A 61 24.350 -4.352 -28.024 1.00 0.00 H new ATOM 0 HD2 PHE A 61 28.304 -5.313 -29.385 1.00 0.00 H new ATOM 0 HE1 PHE A 61 24.414 -6.283 -26.473 1.00 0.00 H new ATOM 0 HE2 PHE A 61 28.375 -7.234 -27.822 1.00 0.00 H new ATOM 0 HZ PHE A 61 26.432 -7.713 -26.366 1.00 0.00 H new ATOM 885 N ALA A 62 24.808 -2.431 -32.753 1.00 0.00 N ATOM 886 CA ALA A 62 24.263 -1.215 -33.395 1.00 0.00 C ATOM 887 C ALA A 62 22.825 -0.994 -32.917 1.00 0.00 C ATOM 888 O ALA A 62 22.296 0.096 -33.009 1.00 0.00 O ATOM 889 CB ALA A 62 24.278 -1.390 -34.915 1.00 0.00 C ATOM 0 H ALA A 62 25.208 -3.118 -33.392 1.00 0.00 H new ATOM 0 HA ALA A 62 24.873 -0.353 -33.126 1.00 0.00 H new ATOM 0 HB1 ALA A 62 23.876 -0.494 -35.388 1.00 0.00 H new ATOM 0 HB2 ALA A 62 25.302 -1.551 -35.253 1.00 0.00 H new ATOM 0 HB3 ALA A 62 23.666 -2.250 -35.188 1.00 0.00 H new ATOM 895 N GLY A 63 22.183 -2.016 -32.402 1.00 0.00 N ATOM 896 CA GLY A 63 20.787 -1.836 -31.925 1.00 0.00 C ATOM 897 C GLY A 63 20.500 -2.824 -30.798 1.00 0.00 C ATOM 898 O GLY A 63 19.368 -3.198 -30.561 1.00 0.00 O ATOM 0 H GLY A 63 22.566 -2.955 -32.295 1.00 0.00 H new ATOM 0 HA2 GLY A 63 20.641 -0.815 -31.573 1.00 0.00 H new ATOM 0 HA3 GLY A 63 20.088 -1.993 -32.747 1.00 0.00 H new ATOM 902 N ARG A 64 21.510 -3.232 -30.085 1.00 0.00 N ATOM 903 CA ARG A 64 21.289 -4.171 -28.960 1.00 0.00 C ATOM 904 C ARG A 64 21.347 -3.330 -27.710 1.00 0.00 C ATOM 905 O ARG A 64 20.480 -3.365 -26.859 1.00 0.00 O ATOM 906 CB ARG A 64 22.401 -5.218 -28.924 1.00 0.00 C ATOM 907 CG ARG A 64 21.905 -6.515 -29.556 1.00 0.00 C ATOM 908 CD ARG A 64 20.756 -7.054 -28.715 1.00 0.00 C ATOM 909 NE ARG A 64 20.444 -8.451 -29.122 1.00 0.00 N ATOM 910 CZ ARG A 64 20.707 -9.440 -28.311 1.00 0.00 C ATOM 911 NH1 ARG A 64 19.829 -9.802 -27.417 1.00 0.00 N ATOM 912 NH2 ARG A 64 21.852 -10.062 -28.391 1.00 0.00 N ATOM 0 H ARG A 64 22.480 -2.954 -30.235 1.00 0.00 H new ATOM 0 HA ARG A 64 20.339 -4.696 -29.057 1.00 0.00 H new ATOM 0 HB2 ARG A 64 23.276 -4.852 -29.461 1.00 0.00 H new ATOM 0 HB3 ARG A 64 22.711 -5.399 -27.895 1.00 0.00 H new ATOM 0 HG2 ARG A 64 21.574 -6.335 -30.579 1.00 0.00 H new ATOM 0 HG3 ARG A 64 22.713 -7.245 -29.606 1.00 0.00 H new ATOM 0 HD2 ARG A 64 21.022 -7.024 -27.658 1.00 0.00 H new ATOM 0 HD3 ARG A 64 19.875 -6.424 -28.840 1.00 0.00 H new ATOM 0 HE ARG A 64 20.025 -8.636 -30.034 1.00 0.00 H new ATOM 0 HH11 ARG A 64 18.937 -9.312 -27.351 1.00 0.00 H new ATOM 0 HH12 ARG A 64 20.035 -10.575 -26.784 1.00 0.00 H new ATOM 0 HH21 ARG A 64 22.541 -9.775 -29.087 1.00 0.00 H new ATOM 0 HH22 ARG A 64 22.058 -10.835 -27.758 1.00 0.00 H new ATOM 926 N LEU A 65 22.367 -2.530 -27.634 1.00 0.00 N ATOM 927 CA LEU A 65 22.512 -1.615 -26.486 1.00 0.00 C ATOM 928 C LEU A 65 21.636 -0.399 -26.749 1.00 0.00 C ATOM 929 O LEU A 65 20.604 -0.481 -27.386 1.00 0.00 O ATOM 930 CB LEU A 65 23.976 -1.189 -26.361 1.00 0.00 C ATOM 931 CG LEU A 65 24.881 -2.410 -26.543 1.00 0.00 C ATOM 932 CD1 LEU A 65 26.294 -2.064 -26.078 1.00 0.00 C ATOM 933 CD2 LEU A 65 24.340 -3.580 -25.713 1.00 0.00 C ATOM 0 H LEU A 65 23.112 -2.474 -28.328 1.00 0.00 H new ATOM 0 HA LEU A 65 22.210 -2.103 -25.559 1.00 0.00 H new ATOM 0 HB2 LEU A 65 24.211 -0.434 -27.111 1.00 0.00 H new ATOM 0 HB3 LEU A 65 24.152 -0.735 -25.386 1.00 0.00 H new ATOM 0 HG LEU A 65 24.902 -2.695 -27.595 1.00 0.00 H new ATOM 0 HD11 LEU A 65 26.942 -2.931 -26.206 1.00 0.00 H new ATOM 0 HD12 LEU A 65 26.679 -1.233 -26.670 1.00 0.00 H new ATOM 0 HD13 LEU A 65 26.272 -1.780 -25.026 1.00 0.00 H new ATOM 0 HD21 LEU A 65 24.986 -4.448 -25.844 1.00 0.00 H new ATOM 0 HD22 LEU A 65 24.318 -3.300 -24.660 1.00 0.00 H new ATOM 0 HD23 LEU A 65 23.331 -3.825 -26.044 1.00 0.00 H new ATOM 945 N THR A 66 22.044 0.720 -26.268 1.00 0.00 N ATOM 946 CA THR A 66 21.256 1.969 -26.479 1.00 0.00 C ATOM 947 C THR A 66 21.871 2.754 -27.641 1.00 0.00 C ATOM 948 O THR A 66 21.351 2.800 -28.738 1.00 0.00 O ATOM 949 CB THR A 66 21.291 2.831 -25.197 1.00 0.00 C ATOM 950 OG1 THR A 66 20.302 2.365 -24.289 1.00 0.00 O ATOM 951 CG2 THR A 66 21.010 4.293 -25.547 1.00 0.00 C ATOM 0 H THR A 66 22.901 0.839 -25.728 1.00 0.00 H new ATOM 0 HA THR A 66 20.221 1.716 -26.710 1.00 0.00 H new ATOM 0 HB THR A 66 22.277 2.754 -24.739 1.00 0.00 H new ATOM 0 HG1 THR A 66 20.323 2.909 -23.474 1.00 0.00 H new ATOM 0 HG21 THR A 66 21.036 4.896 -24.639 1.00 0.00 H new ATOM 0 HG22 THR A 66 21.768 4.653 -26.243 1.00 0.00 H new ATOM 0 HG23 THR A 66 20.026 4.374 -26.008 1.00 0.00 H new ATOM 959 N ASP A 67 22.978 3.372 -27.376 1.00 0.00 N ATOM 960 CA ASP A 67 23.692 4.181 -28.388 1.00 0.00 C ATOM 961 C ASP A 67 24.953 4.684 -27.704 1.00 0.00 C ATOM 962 O ASP A 67 26.074 4.376 -28.081 1.00 0.00 O ATOM 963 CB ASP A 67 22.822 5.366 -28.817 1.00 0.00 C ATOM 964 CG ASP A 67 23.482 6.082 -29.997 1.00 0.00 C ATOM 965 OD1 ASP A 67 24.686 6.269 -29.954 1.00 0.00 O ATOM 966 OD2 ASP A 67 22.769 6.433 -30.924 1.00 0.00 O ATOM 0 H ASP A 67 23.434 3.348 -26.464 1.00 0.00 H new ATOM 0 HA ASP A 67 23.923 3.598 -29.280 1.00 0.00 H new ATOM 0 HB2 ASP A 67 21.828 5.018 -29.099 1.00 0.00 H new ATOM 0 HB3 ASP A 67 22.694 6.057 -27.984 1.00 0.00 H new ATOM 971 N GLU A 68 24.748 5.408 -26.642 1.00 0.00 N ATOM 972 CA GLU A 68 25.868 5.934 -25.824 1.00 0.00 C ATOM 973 C GLU A 68 26.565 4.777 -25.099 1.00 0.00 C ATOM 974 O GLU A 68 27.453 4.987 -24.304 1.00 0.00 O ATOM 975 CB GLU A 68 25.275 6.887 -24.794 1.00 0.00 C ATOM 976 CG GLU A 68 26.313 7.201 -23.715 1.00 0.00 C ATOM 977 CD GLU A 68 26.001 8.563 -23.090 1.00 0.00 C ATOM 978 OE1 GLU A 68 25.559 9.439 -23.815 1.00 0.00 O ATOM 979 OE2 GLU A 68 26.207 8.706 -21.895 1.00 0.00 O ATOM 0 H GLU A 68 23.822 5.663 -26.299 1.00 0.00 H new ATOM 0 HA GLU A 68 26.596 6.445 -26.455 1.00 0.00 H new ATOM 0 HB2 GLU A 68 24.954 7.808 -25.281 1.00 0.00 H new ATOM 0 HB3 GLU A 68 24.390 6.441 -24.340 1.00 0.00 H new ATOM 0 HG2 GLU A 68 26.303 6.426 -22.949 1.00 0.00 H new ATOM 0 HG3 GLU A 68 27.313 7.208 -24.148 1.00 0.00 H new ATOM 986 N GLN A 69 26.168 3.564 -25.372 1.00 0.00 N ATOM 987 CA GLN A 69 26.797 2.386 -24.717 1.00 0.00 C ATOM 988 C GLN A 69 27.577 1.634 -25.782 1.00 0.00 C ATOM 989 O GLN A 69 28.659 1.149 -25.557 1.00 0.00 O ATOM 990 CB GLN A 69 25.743 1.484 -24.087 1.00 0.00 C ATOM 991 CG GLN A 69 24.389 2.203 -24.040 1.00 0.00 C ATOM 992 CD GLN A 69 24.525 3.544 -23.308 1.00 0.00 C ATOM 993 OE1 GLN A 69 23.636 4.369 -23.369 1.00 0.00 O ATOM 994 NE2 GLN A 69 25.602 3.805 -22.613 1.00 0.00 N ATOM 0 H GLN A 69 25.423 3.338 -26.031 1.00 0.00 H new ATOM 0 HA GLN A 69 27.460 2.711 -23.915 1.00 0.00 H new ATOM 0 HB2 GLN A 69 25.653 0.562 -24.661 1.00 0.00 H new ATOM 0 HB3 GLN A 69 26.049 1.204 -23.079 1.00 0.00 H new ATOM 0 HG2 GLN A 69 24.022 2.369 -25.053 1.00 0.00 H new ATOM 0 HG3 GLN A 69 23.654 1.577 -23.534 1.00 0.00 H new ATOM 0 HE21 GLN A 69 26.353 3.116 -22.558 1.00 0.00 H new ATOM 0 HE22 GLN A 69 25.691 4.697 -22.126 1.00 0.00 H new ATOM 1003 N ILE A 70 27.115 1.616 -26.992 1.00 0.00 N ATOM 1004 CA ILE A 70 27.968 0.985 -28.015 1.00 0.00 C ATOM 1005 C ILE A 70 29.256 1.812 -27.997 1.00 0.00 C ATOM 1006 O ILE A 70 30.308 1.391 -28.436 1.00 0.00 O ATOM 1007 CB ILE A 70 27.300 1.060 -29.375 1.00 0.00 C ATOM 1008 CG1 ILE A 70 25.833 0.658 -29.232 1.00 0.00 C ATOM 1009 CG2 ILE A 70 28.006 0.113 -30.345 1.00 0.00 C ATOM 1010 CD1 ILE A 70 24.983 1.707 -29.920 1.00 0.00 C ATOM 0 H ILE A 70 26.222 1.994 -27.307 1.00 0.00 H new ATOM 0 HA ILE A 70 28.152 -0.071 -27.817 1.00 0.00 H new ATOM 0 HB ILE A 70 27.363 2.077 -29.763 1.00 0.00 H new ATOM 0 HG12 ILE A 70 25.662 -0.322 -29.679 1.00 0.00 H new ATOM 0 HG13 ILE A 70 25.562 0.580 -28.179 1.00 0.00 H new ATOM 0 HG21 ILE A 70 27.525 0.168 -31.322 1.00 0.00 H new ATOM 0 HG22 ILE A 70 29.053 0.402 -30.439 1.00 0.00 H new ATOM 0 HG23 ILE A 70 27.944 -0.907 -29.967 1.00 0.00 H new ATOM 0 HD11 ILE A 70 23.930 1.439 -29.830 1.00 0.00 H new ATOM 0 HD12 ILE A 70 25.152 2.677 -29.452 1.00 0.00 H new ATOM 0 HD13 ILE A 70 25.254 1.761 -30.974 1.00 0.00 H new ATOM 1022 N GLN A 71 29.148 2.995 -27.430 1.00 0.00 N ATOM 1023 CA GLN A 71 30.280 3.907 -27.282 1.00 0.00 C ATOM 1024 C GLN A 71 30.851 3.720 -25.875 1.00 0.00 C ATOM 1025 O GLN A 71 31.885 3.126 -25.676 1.00 0.00 O ATOM 1026 CB GLN A 71 29.727 5.318 -27.410 1.00 0.00 C ATOM 1027 CG GLN A 71 29.336 5.579 -28.865 1.00 0.00 C ATOM 1028 CD GLN A 71 30.230 6.675 -29.436 1.00 0.00 C ATOM 1029 OE1 GLN A 71 30.816 6.514 -30.488 1.00 0.00 O ATOM 1030 NE2 GLN A 71 30.358 7.791 -28.778 1.00 0.00 N ATOM 0 H GLN A 71 28.272 3.360 -27.055 1.00 0.00 H new ATOM 0 HA GLN A 71 31.055 3.723 -28.026 1.00 0.00 H new ATOM 0 HB2 GLN A 71 28.860 5.441 -26.761 1.00 0.00 H new ATOM 0 HB3 GLN A 71 30.473 6.044 -27.086 1.00 0.00 H new ATOM 0 HG2 GLN A 71 29.440 4.666 -29.451 1.00 0.00 H new ATOM 0 HG3 GLN A 71 28.290 5.879 -28.925 1.00 0.00 H new ATOM 0 HE21 GLN A 71 29.864 7.922 -27.895 1.00 0.00 H new ATOM 0 HE22 GLN A 71 30.952 8.534 -29.145 1.00 0.00 H new ATOM 1039 N ASP A 72 30.144 4.221 -24.900 1.00 0.00 N ATOM 1040 CA ASP A 72 30.562 4.102 -23.481 1.00 0.00 C ATOM 1041 C ASP A 72 31.031 2.685 -23.199 1.00 0.00 C ATOM 1042 O ASP A 72 32.047 2.474 -22.580 1.00 0.00 O ATOM 1043 CB ASP A 72 29.361 4.402 -22.588 1.00 0.00 C ATOM 1044 CG ASP A 72 29.101 5.910 -22.564 1.00 0.00 C ATOM 1045 OD1 ASP A 72 29.794 6.623 -23.271 1.00 0.00 O ATOM 1046 OD2 ASP A 72 28.212 6.327 -21.839 1.00 0.00 O ATOM 0 H ASP A 72 29.267 4.723 -25.037 1.00 0.00 H new ATOM 0 HA ASP A 72 31.373 4.803 -23.283 1.00 0.00 H new ATOM 0 HB2 ASP A 72 28.480 3.877 -22.958 1.00 0.00 H new ATOM 0 HB3 ASP A 72 29.547 4.039 -21.577 1.00 0.00 H new ATOM 1051 N VAL A 73 30.281 1.714 -23.637 1.00 0.00 N ATOM 1052 CA VAL A 73 30.668 0.298 -23.399 1.00 0.00 C ATOM 1053 C VAL A 73 31.984 0.026 -24.117 1.00 0.00 C ATOM 1054 O VAL A 73 32.880 -0.612 -23.613 1.00 0.00 O ATOM 1055 CB VAL A 73 29.607 -0.629 -23.962 1.00 0.00 C ATOM 1056 CG1 VAL A 73 29.856 -2.040 -23.445 1.00 0.00 C ATOM 1057 CG2 VAL A 73 28.244 -0.157 -23.500 1.00 0.00 C ATOM 0 H VAL A 73 29.411 1.842 -24.153 1.00 0.00 H new ATOM 0 HA VAL A 73 30.770 0.124 -22.328 1.00 0.00 H new ATOM 0 HB VAL A 73 29.647 -0.625 -25.051 1.00 0.00 H new ATOM 0 HG11 VAL A 73 29.098 -2.713 -23.845 1.00 0.00 H new ATOM 0 HG12 VAL A 73 30.843 -2.375 -23.763 1.00 0.00 H new ATOM 0 HG13 VAL A 73 29.806 -2.043 -22.356 1.00 0.00 H new ATOM 0 HG21 VAL A 73 27.475 -0.818 -23.900 1.00 0.00 H new ATOM 0 HG22 VAL A 73 28.204 -0.171 -22.411 1.00 0.00 H new ATOM 0 HG23 VAL A 73 28.071 0.859 -23.856 1.00 0.00 H new ATOM 1067 N ALA A 74 32.119 0.510 -25.304 1.00 0.00 N ATOM 1068 CA ALA A 74 33.401 0.280 -26.020 1.00 0.00 C ATOM 1069 C ALA A 74 34.515 0.823 -25.125 1.00 0.00 C ATOM 1070 O ALA A 74 35.348 0.094 -24.612 1.00 0.00 O ATOM 1071 CB ALA A 74 33.400 1.020 -27.357 1.00 0.00 C ATOM 0 H ALA A 74 31.415 1.047 -25.810 1.00 0.00 H new ATOM 0 HA ALA A 74 33.544 -0.781 -26.225 1.00 0.00 H new ATOM 0 HB1 ALA A 74 34.345 0.843 -27.871 1.00 0.00 H new ATOM 0 HB2 ALA A 74 32.578 0.657 -27.973 1.00 0.00 H new ATOM 0 HB3 ALA A 74 33.277 2.089 -27.181 1.00 0.00 H new ATOM 1077 N ALA A 75 34.498 2.103 -24.896 1.00 0.00 N ATOM 1078 CA ALA A 75 35.499 2.720 -23.998 1.00 0.00 C ATOM 1079 C ALA A 75 35.375 2.047 -22.625 1.00 0.00 C ATOM 1080 O ALA A 75 36.272 2.091 -21.808 1.00 0.00 O ATOM 1081 CB ALA A 75 35.182 4.213 -23.873 1.00 0.00 C ATOM 0 H ALA A 75 33.824 2.753 -25.299 1.00 0.00 H new ATOM 0 HA ALA A 75 36.510 2.595 -24.386 1.00 0.00 H new ATOM 0 HB1 ALA A 75 35.910 4.686 -23.214 1.00 0.00 H new ATOM 0 HB2 ALA A 75 35.228 4.678 -24.858 1.00 0.00 H new ATOM 0 HB3 ALA A 75 34.182 4.339 -23.458 1.00 0.00 H new ATOM 1087 N TYR A 76 34.255 1.410 -22.385 1.00 0.00 N ATOM 1088 CA TYR A 76 34.023 0.717 -21.084 1.00 0.00 C ATOM 1089 C TYR A 76 35.002 -0.429 -20.964 1.00 0.00 C ATOM 1090 O TYR A 76 35.549 -0.683 -19.915 1.00 0.00 O ATOM 1091 CB TYR A 76 32.594 0.165 -21.052 1.00 0.00 C ATOM 1092 CG TYR A 76 32.344 -0.614 -19.797 1.00 0.00 C ATOM 1093 CD1 TYR A 76 31.853 0.022 -18.689 1.00 0.00 C ATOM 1094 CD2 TYR A 76 32.587 -1.980 -19.762 1.00 0.00 C ATOM 1095 CE1 TYR A 76 31.598 -0.690 -17.527 1.00 0.00 C ATOM 1096 CE2 TYR A 76 32.334 -2.711 -18.598 1.00 0.00 C ATOM 1097 CZ TYR A 76 31.835 -2.061 -17.475 1.00 0.00 C ATOM 1098 OH TYR A 76 31.580 -2.769 -16.317 1.00 0.00 O ATOM 0 H TYR A 76 33.482 1.341 -23.047 1.00 0.00 H new ATOM 0 HA TYR A 76 34.162 1.416 -20.259 1.00 0.00 H new ATOM 0 HB2 TYR A 76 31.882 0.987 -21.121 1.00 0.00 H new ATOM 0 HB3 TYR A 76 32.428 -0.474 -21.919 1.00 0.00 H new ATOM 0 HD1 TYR A 76 31.663 1.085 -18.720 1.00 0.00 H new ATOM 0 HD2 TYR A 76 32.973 -2.480 -20.638 1.00 0.00 H new ATOM 0 HE1 TYR A 76 31.213 -0.178 -16.657 1.00 0.00 H new ATOM 0 HE2 TYR A 76 32.525 -3.774 -18.571 1.00 0.00 H new ATOM 0 HH TYR A 76 32.401 -2.832 -15.785 1.00 0.00 H new ATOM 1108 N VAL A 77 35.237 -1.121 -22.033 1.00 0.00 N ATOM 1109 CA VAL A 77 36.195 -2.239 -21.970 1.00 0.00 C ATOM 1110 C VAL A 77 37.599 -1.651 -21.931 1.00 0.00 C ATOM 1111 O VAL A 77 38.529 -2.258 -21.434 1.00 0.00 O ATOM 1112 CB VAL A 77 36.029 -3.145 -23.193 1.00 0.00 C ATOM 1113 CG1 VAL A 77 37.251 -4.053 -23.328 1.00 0.00 C ATOM 1114 CG2 VAL A 77 34.773 -4.002 -23.023 1.00 0.00 C ATOM 0 H VAL A 77 34.808 -0.960 -22.944 1.00 0.00 H new ATOM 0 HA VAL A 77 36.017 -2.842 -21.080 1.00 0.00 H new ATOM 0 HB VAL A 77 35.934 -2.532 -24.089 1.00 0.00 H new ATOM 0 HG11 VAL A 77 37.131 -4.697 -24.199 1.00 0.00 H new ATOM 0 HG12 VAL A 77 38.146 -3.443 -23.448 1.00 0.00 H new ATOM 0 HG13 VAL A 77 37.348 -4.667 -22.433 1.00 0.00 H new ATOM 0 HG21 VAL A 77 34.653 -4.648 -23.893 1.00 0.00 H new ATOM 0 HG22 VAL A 77 34.869 -4.615 -22.127 1.00 0.00 H new ATOM 0 HG23 VAL A 77 33.901 -3.355 -22.928 1.00 0.00 H new ATOM 1124 N LEU A 78 37.753 -0.455 -22.431 1.00 0.00 N ATOM 1125 CA LEU A 78 39.094 0.187 -22.400 1.00 0.00 C ATOM 1126 C LEU A 78 39.236 0.954 -21.082 1.00 0.00 C ATOM 1127 O LEU A 78 40.292 1.454 -20.752 1.00 0.00 O ATOM 1128 CB LEU A 78 39.243 1.160 -23.576 1.00 0.00 C ATOM 1129 CG LEU A 78 38.293 0.764 -24.709 1.00 0.00 C ATOM 1130 CD1 LEU A 78 38.601 1.607 -25.946 1.00 0.00 C ATOM 1131 CD2 LEU A 78 38.473 -0.718 -25.040 1.00 0.00 C ATOM 0 H LEU A 78 37.012 0.101 -22.857 1.00 0.00 H new ATOM 0 HA LEU A 78 39.867 -0.577 -22.479 1.00 0.00 H new ATOM 0 HB2 LEU A 78 39.026 2.176 -23.247 1.00 0.00 H new ATOM 0 HB3 LEU A 78 40.272 1.154 -23.935 1.00 0.00 H new ATOM 0 HG LEU A 78 37.263 0.938 -24.396 1.00 0.00 H new ATOM 0 HD11 LEU A 78 37.926 1.327 -26.755 1.00 0.00 H new ATOM 0 HD12 LEU A 78 38.466 2.663 -25.710 1.00 0.00 H new ATOM 0 HD13 LEU A 78 39.631 1.434 -26.257 1.00 0.00 H new ATOM 0 HD21 LEU A 78 37.795 -0.996 -25.847 1.00 0.00 H new ATOM 0 HD22 LEU A 78 39.502 -0.899 -25.352 1.00 0.00 H new ATOM 0 HD23 LEU A 78 38.251 -1.318 -24.157 1.00 0.00 H new ATOM 1143 N ASP A 79 38.169 1.057 -20.331 1.00 0.00 N ATOM 1144 CA ASP A 79 38.217 1.789 -19.052 1.00 0.00 C ATOM 1145 C ASP A 79 38.385 0.784 -17.920 1.00 0.00 C ATOM 1146 O ASP A 79 39.052 1.027 -16.935 1.00 0.00 O ATOM 1147 CB ASP A 79 36.894 2.528 -18.871 1.00 0.00 C ATOM 1148 CG ASP A 79 37.115 3.781 -18.019 1.00 0.00 C ATOM 1149 OD1 ASP A 79 37.046 3.668 -16.806 1.00 0.00 O ATOM 1150 OD2 ASP A 79 37.350 4.830 -18.596 1.00 0.00 O ATOM 0 H ASP A 79 37.260 0.656 -20.562 1.00 0.00 H new ATOM 0 HA ASP A 79 39.047 2.496 -19.046 1.00 0.00 H new ATOM 0 HB2 ASP A 79 36.485 2.805 -19.843 1.00 0.00 H new ATOM 0 HB3 ASP A 79 36.164 1.875 -18.392 1.00 0.00 H new ATOM 1155 N GLN A 80 37.762 -0.347 -18.069 1.00 0.00 N ATOM 1156 CA GLN A 80 37.833 -1.403 -17.038 1.00 0.00 C ATOM 1157 C GLN A 80 39.138 -2.183 -17.193 1.00 0.00 C ATOM 1158 O GLN A 80 39.745 -2.598 -16.227 1.00 0.00 O ATOM 1159 CB GLN A 80 36.653 -2.345 -17.241 1.00 0.00 C ATOM 1160 CG GLN A 80 35.368 -1.535 -17.400 1.00 0.00 C ATOM 1161 CD GLN A 80 34.573 -1.576 -16.093 1.00 0.00 C ATOM 1162 OE1 GLN A 80 34.169 -2.632 -15.648 1.00 0.00 O ATOM 1163 NE2 GLN A 80 34.332 -0.463 -15.455 1.00 0.00 N ATOM 0 H GLN A 80 37.195 -0.585 -18.882 1.00 0.00 H new ATOM 0 HA GLN A 80 37.800 -0.961 -16.042 1.00 0.00 H new ATOM 0 HB2 GLN A 80 36.816 -2.963 -18.124 1.00 0.00 H new ATOM 0 HB3 GLN A 80 36.565 -3.021 -16.391 1.00 0.00 H new ATOM 0 HG2 GLN A 80 35.606 -0.504 -17.661 1.00 0.00 H new ATOM 0 HG3 GLN A 80 34.769 -1.940 -18.215 1.00 0.00 H new ATOM 0 HE21 GLN A 80 34.671 0.423 -15.829 1.00 0.00 H new ATOM 0 HE22 GLN A 80 33.804 -0.479 -14.582 1.00 0.00 H new ATOM 1172 N ALA A 81 39.568 -2.390 -18.408 1.00 0.00 N ATOM 1173 CA ALA A 81 40.828 -3.149 -18.633 1.00 0.00 C ATOM 1174 C ALA A 81 42.012 -2.374 -18.050 1.00 0.00 C ATOM 1175 O ALA A 81 42.894 -2.939 -17.435 1.00 0.00 O ATOM 1176 CB ALA A 81 41.042 -3.341 -20.136 1.00 0.00 C ATOM 0 H ALA A 81 39.100 -2.065 -19.254 1.00 0.00 H new ATOM 0 HA ALA A 81 40.755 -4.120 -18.143 1.00 0.00 H new ATOM 0 HB1 ALA A 81 41.964 -3.897 -20.304 1.00 0.00 H new ATOM 0 HB2 ALA A 81 40.203 -3.896 -20.555 1.00 0.00 H new ATOM 0 HB3 ALA A 81 41.112 -2.367 -20.621 1.00 0.00 H new ATOM 1182 N ALA A 82 42.049 -1.089 -18.257 1.00 0.00 N ATOM 1183 CA ALA A 82 43.180 -0.286 -17.742 1.00 0.00 C ATOM 1184 C ALA A 82 42.894 0.209 -16.321 1.00 0.00 C ATOM 1185 O ALA A 82 43.587 1.070 -15.814 1.00 0.00 O ATOM 1186 CB ALA A 82 43.404 0.917 -18.659 1.00 0.00 C ATOM 0 H ALA A 82 41.338 -0.561 -18.764 1.00 0.00 H new ATOM 0 HA ALA A 82 44.071 -0.914 -17.720 1.00 0.00 H new ATOM 0 HB1 ALA A 82 44.237 1.511 -18.283 1.00 0.00 H new ATOM 0 HB2 ALA A 82 43.632 0.569 -19.666 1.00 0.00 H new ATOM 0 HB3 ALA A 82 42.503 1.529 -18.682 1.00 0.00 H new ATOM 1192 N LYS A 83 41.890 -0.308 -15.662 1.00 0.00 N ATOM 1193 CA LYS A 83 41.614 0.182 -14.280 1.00 0.00 C ATOM 1194 C LYS A 83 41.268 -0.974 -13.342 1.00 0.00 C ATOM 1195 O LYS A 83 40.712 -0.770 -12.280 1.00 0.00 O ATOM 1196 CB LYS A 83 40.473 1.212 -14.308 1.00 0.00 C ATOM 1197 CG LYS A 83 39.116 0.507 -14.203 1.00 0.00 C ATOM 1198 CD LYS A 83 37.987 1.530 -14.356 1.00 0.00 C ATOM 1199 CE LYS A 83 38.232 2.709 -13.410 1.00 0.00 C ATOM 1200 NZ LYS A 83 38.347 2.208 -12.010 1.00 0.00 N ATOM 0 H LYS A 83 41.262 -1.032 -16.011 1.00 0.00 H new ATOM 0 HA LYS A 83 42.517 0.660 -13.899 1.00 0.00 H new ATOM 0 HB2 LYS A 83 40.589 1.916 -13.484 1.00 0.00 H new ATOM 0 HB3 LYS A 83 40.519 1.791 -15.230 1.00 0.00 H new ATOM 0 HG2 LYS A 83 39.033 -0.258 -14.975 1.00 0.00 H new ATOM 0 HG3 LYS A 83 39.032 0.001 -13.241 1.00 0.00 H new ATOM 0 HD2 LYS A 83 37.938 1.881 -15.387 1.00 0.00 H new ATOM 0 HD3 LYS A 83 37.027 1.064 -14.132 1.00 0.00 H new ATOM 0 HE2 LYS A 83 39.143 3.235 -13.695 1.00 0.00 H new ATOM 0 HE3 LYS A 83 37.414 3.425 -13.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 37.888 2.880 -11.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 37.882 1.281 -11.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 39.351 2.114 -11.756 1.00 0.00 H new ATOM 1214 N GLY A 84 41.594 -2.178 -13.703 1.00 0.00 N ATOM 1215 CA GLY A 84 41.278 -3.312 -12.802 1.00 0.00 C ATOM 1216 C GLY A 84 39.859 -3.790 -13.083 1.00 0.00 C ATOM 1217 O GLY A 84 38.958 -3.561 -12.307 1.00 0.00 O ATOM 0 H GLY A 84 42.062 -2.425 -14.575 1.00 0.00 H new ATOM 0 HA2 GLY A 84 41.987 -4.125 -12.958 1.00 0.00 H new ATOM 0 HA3 GLY A 84 41.372 -3.003 -11.761 1.00 0.00 H new ATOM 1221 N TRP A 85 39.681 -4.464 -14.183 1.00 0.00 N ATOM 1222 CA TRP A 85 38.334 -5.008 -14.557 1.00 0.00 C ATOM 1223 C TRP A 85 37.602 -5.479 -13.297 1.00 0.00 C ATOM 1224 O TRP A 85 37.698 -6.624 -12.899 1.00 0.00 O ATOM 1225 CB TRP A 85 38.491 -6.204 -15.503 1.00 0.00 C ATOM 1226 CG TRP A 85 38.189 -5.809 -16.909 1.00 0.00 C ATOM 1227 CD1 TRP A 85 39.064 -5.845 -17.940 1.00 0.00 C ATOM 1228 CD2 TRP A 85 36.936 -5.336 -17.456 1.00 0.00 C ATOM 1229 NE1 TRP A 85 38.417 -5.417 -19.085 1.00 0.00 N ATOM 1230 CE2 TRP A 85 37.101 -5.097 -18.836 1.00 0.00 C ATOM 1231 CE3 TRP A 85 35.685 -5.095 -16.885 1.00 0.00 C ATOM 1232 CZ2 TRP A 85 36.053 -4.633 -19.627 1.00 0.00 C ATOM 1233 CZ3 TRP A 85 34.625 -4.621 -17.674 1.00 0.00 C ATOM 1234 CH2 TRP A 85 34.804 -4.393 -19.044 1.00 0.00 C ATOM 0 H TRP A 85 40.421 -4.668 -14.855 1.00 0.00 H new ATOM 0 HA TRP A 85 37.766 -4.220 -15.052 1.00 0.00 H new ATOM 0 HB2 TRP A 85 39.507 -6.593 -15.440 1.00 0.00 H new ATOM 0 HB3 TRP A 85 37.823 -7.008 -15.195 1.00 0.00 H new ATOM 0 HD1 TRP A 85 40.096 -6.156 -17.879 1.00 0.00 H new ATOM 0 HE1 TRP A 85 38.860 -5.347 -20.001 1.00 0.00 H new ATOM 0 HE3 TRP A 85 35.532 -5.274 -15.831 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 36.203 -4.460 -20.682 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 33.663 -4.431 -17.221 1.00 0.00 H new ATOM 0 HH2 TRP A 85 33.983 -4.034 -19.647 1.00 0.00 H new ATOM 1245 N ALA A 86 36.879 -4.600 -12.666 1.00 0.00 N ATOM 1246 CA ALA A 86 36.145 -4.975 -11.432 1.00 0.00 C ATOM 1247 C ALA A 86 34.924 -5.824 -11.792 1.00 0.00 C ATOM 1248 O ALA A 86 34.725 -6.899 -11.262 1.00 0.00 O ATOM 1249 CB ALA A 86 35.687 -3.708 -10.705 1.00 0.00 C ATOM 0 H ALA A 86 36.765 -3.629 -12.956 1.00 0.00 H new ATOM 0 HA ALA A 86 36.805 -5.551 -10.783 1.00 0.00 H new ATOM 0 HB1 ALA A 86 35.148 -3.983 -9.799 1.00 0.00 H new ATOM 0 HB2 ALA A 86 36.556 -3.105 -10.441 1.00 0.00 H new ATOM 0 HB3 ALA A 86 35.030 -3.132 -11.357 1.00 0.00 H new