USER MOD reduce.3.24.130724 H: found=0, std=0, add=728, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 725 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 24 ASN : amide:sc= -3.73! C(o=-6.6!,f=-6.6!) USER MOD Set 1.2: A 78 GLN : amide:sc= -2.85! X(o=-6.6!,f=-6.6) USER MOD Set 2.1: A 59 ASN : amide:sc= -2! C(o=-1.5!,f=-1.9!) USER MOD Set 2.2: A 62 ASN : amide:sc= 0.449 K(o=-1.5,f=-3.1) USER MOD Set 3.1: A 14 MET CE :methyl -150:sc= -0.495 (180deg=0) USER MOD Set 3.2: A 56 GLN : amide:sc= -7.23! C(o=-7.7!,f=-15!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 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 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.279) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot -170:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 SER OG : rot 131:sc= -2.2! USER MOD Single : A 22 ASN : amide:sc= 0.882 K(o=0.88,f=-0.64) USER MOD Single : A 25 THR OG1 : rot 130:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 101:sc= 0.0903 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 180:sc= -0.527 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 CYS SG : rot 42:sc= -5.18! USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 TYR OH : rot -7:sc= -2.24! USER MOD Single : A 74 MET CE :methyl 179:sc= 0 (180deg=-0.00266) USER MOD Single : A 83 ASN : amide:sc= -3.29! C(o=-3.3!,f=-2.5!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.895 17.002 30.769 1.00 0.00 N ATOM 2 CA GLY A 1 12.800 16.347 29.476 1.00 0.00 C ATOM 3 C GLY A 1 12.560 14.845 29.638 1.00 0.00 C ATOM 4 O GLY A 1 11.555 14.432 30.215 1.00 0.00 O ATOM 0 H1 GLY A 1 13.058 18.020 30.631 1.00 0.00 H new ATOM 0 H2 GLY A 1 12.009 16.861 31.295 1.00 0.00 H new ATOM 0 H3 GLY A 1 13.686 16.595 31.307 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.987 16.789 28.900 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.718 16.513 28.912 1.00 0.00 H new ATOM 8 N SER A 2 13.499 14.068 29.119 1.00 0.00 N ATOM 9 CA SER A 2 13.403 12.621 29.199 1.00 0.00 C ATOM 10 C SER A 2 12.217 12.128 28.368 1.00 0.00 C ATOM 11 O SER A 2 11.290 12.888 28.092 1.00 0.00 O ATOM 12 CB SER A 2 13.262 12.158 30.651 1.00 0.00 C ATOM 13 OG SER A 2 13.763 10.837 30.841 1.00 0.00 O ATOM 0 H SER A 2 14.331 14.414 28.641 1.00 0.00 H new ATOM 0 HA SER A 2 14.322 12.195 28.797 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.798 12.846 31.305 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.212 12.193 30.942 1.00 0.00 H new ATOM 0 HG SER A 2 13.657 10.579 31.780 1.00 0.00 H new ATOM 19 N SER A 3 12.285 10.860 27.992 1.00 0.00 N ATOM 20 CA SER A 3 11.228 10.257 27.197 1.00 0.00 C ATOM 21 C SER A 3 11.189 10.896 25.808 1.00 0.00 C ATOM 22 O SER A 3 11.544 12.062 25.646 1.00 0.00 O ATOM 23 CB SER A 3 9.869 10.402 27.887 1.00 0.00 C ATOM 24 OG SER A 3 9.331 9.142 28.277 1.00 0.00 O ATOM 0 H SER A 3 13.056 10.233 28.223 1.00 0.00 H new ATOM 0 HA SER A 3 11.441 9.193 27.094 1.00 0.00 H new ATOM 0 HB2 SER A 3 9.975 11.039 28.765 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.172 10.901 27.214 1.00 0.00 H new ATOM 0 HG SER A 3 8.465 9.278 28.715 1.00 0.00 H new ATOM 30 N GLY A 4 10.753 10.104 24.839 1.00 0.00 N ATOM 31 CA GLY A 4 10.663 10.577 23.468 1.00 0.00 C ATOM 32 C GLY A 4 11.752 9.947 22.598 1.00 0.00 C ATOM 33 O GLY A 4 12.655 9.286 23.108 1.00 0.00 O ATOM 0 H GLY A 4 10.458 9.137 24.977 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.682 10.335 23.060 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.759 11.663 23.447 1.00 0.00 H new ATOM 37 N SER A 5 11.631 10.174 21.298 1.00 0.00 N ATOM 38 CA SER A 5 12.594 9.636 20.352 1.00 0.00 C ATOM 39 C SER A 5 12.910 10.679 19.278 1.00 0.00 C ATOM 40 O SER A 5 12.401 10.600 18.161 1.00 0.00 O ATOM 41 CB SER A 5 12.073 8.351 19.706 1.00 0.00 C ATOM 42 OG SER A 5 12.141 7.240 20.596 1.00 0.00 O ATOM 0 H SER A 5 10.881 10.723 20.878 1.00 0.00 H new ATOM 0 HA SER A 5 13.508 9.393 20.895 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.041 8.498 19.388 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.655 8.134 18.810 1.00 0.00 H new ATOM 0 HG SER A 5 11.798 6.440 20.147 1.00 0.00 H new ATOM 48 N SER A 6 13.749 11.633 19.654 1.00 0.00 N ATOM 49 CA SER A 6 14.140 12.691 18.737 1.00 0.00 C ATOM 50 C SER A 6 15.016 12.119 17.621 1.00 0.00 C ATOM 51 O SER A 6 16.241 12.220 17.675 1.00 0.00 O ATOM 52 CB SER A 6 14.880 13.811 19.471 1.00 0.00 C ATOM 53 OG SER A 6 14.565 15.096 18.941 1.00 0.00 O ATOM 0 H SER A 6 14.169 11.696 20.581 1.00 0.00 H new ATOM 0 HA SER A 6 13.236 13.115 18.300 1.00 0.00 H new ATOM 0 HB2 SER A 6 14.622 13.782 20.530 1.00 0.00 H new ATOM 0 HB3 SER A 6 15.955 13.643 19.400 1.00 0.00 H new ATOM 0 HG SER A 6 15.056 15.784 19.437 1.00 0.00 H new ATOM 59 N GLY A 7 14.354 11.530 16.636 1.00 0.00 N ATOM 60 CA GLY A 7 15.058 10.941 15.509 1.00 0.00 C ATOM 61 C GLY A 7 15.080 9.415 15.613 1.00 0.00 C ATOM 62 O GLY A 7 14.185 8.816 16.207 1.00 0.00 O ATOM 0 H GLY A 7 13.338 11.448 16.595 1.00 0.00 H new ATOM 0 HA2 GLY A 7 14.575 11.239 14.578 1.00 0.00 H new ATOM 0 HA3 GLY A 7 16.079 11.321 15.474 1.00 0.00 H new ATOM 66 N LYS A 8 16.113 8.829 15.026 1.00 0.00 N ATOM 67 CA LYS A 8 16.264 7.384 15.045 1.00 0.00 C ATOM 68 C LYS A 8 17.753 7.031 15.047 1.00 0.00 C ATOM 69 O LYS A 8 18.342 6.801 13.992 1.00 0.00 O ATOM 70 CB LYS A 8 15.484 6.748 13.893 1.00 0.00 C ATOM 71 CG LYS A 8 14.335 5.885 14.419 1.00 0.00 C ATOM 72 CD LYS A 8 14.849 4.532 14.917 1.00 0.00 C ATOM 73 CE LYS A 8 13.876 3.409 14.554 1.00 0.00 C ATOM 74 NZ LYS A 8 12.511 3.733 15.026 1.00 0.00 N ATOM 0 H LYS A 8 16.854 9.329 14.534 1.00 0.00 H new ATOM 0 HA LYS A 8 15.836 6.969 15.957 1.00 0.00 H new ATOM 0 HB2 LYS A 8 15.089 7.528 13.242 1.00 0.00 H new ATOM 0 HB3 LYS A 8 16.155 6.138 13.288 1.00 0.00 H new ATOM 0 HG2 LYS A 8 13.826 6.406 15.230 1.00 0.00 H new ATOM 0 HG3 LYS A 8 13.600 5.731 13.629 1.00 0.00 H new ATOM 0 HD2 LYS A 8 15.826 4.327 14.480 1.00 0.00 H new ATOM 0 HD3 LYS A 8 14.984 4.566 15.998 1.00 0.00 H new ATOM 0 HE2 LYS A 8 13.868 3.261 13.474 1.00 0.00 H new ATOM 0 HE3 LYS A 8 14.209 2.472 15.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 11.943 2.863 15.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 12.563 4.160 15.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 12.066 4.404 14.368 1.00 0.00 H new ATOM 88 N THR A 9 18.319 6.999 16.245 1.00 0.00 N ATOM 89 CA THR A 9 19.728 6.678 16.399 1.00 0.00 C ATOM 90 C THR A 9 19.924 5.163 16.478 1.00 0.00 C ATOM 91 O THR A 9 20.364 4.644 17.502 1.00 0.00 O ATOM 92 CB THR A 9 20.251 7.424 17.628 1.00 0.00 C ATOM 93 OG1 THR A 9 21.659 7.204 17.594 1.00 0.00 O ATOM 94 CG2 THR A 9 19.804 6.777 18.940 1.00 0.00 C ATOM 0 H THR A 9 17.827 7.190 17.118 1.00 0.00 H new ATOM 0 HA THR A 9 20.305 7.004 15.534 1.00 0.00 H new ATOM 0 HB THR A 9 19.908 8.458 17.598 1.00 0.00 H new ATOM 0 HG1 THR A 9 22.079 7.655 18.356 1.00 0.00 H new ATOM 0 HG21 THR A 9 20.202 7.346 19.780 1.00 0.00 H new ATOM 0 HG22 THR A 9 18.715 6.770 18.990 1.00 0.00 H new ATOM 0 HG23 THR A 9 20.176 5.753 18.986 1.00 0.00 H new ATOM 102 N ASP A 10 19.588 4.497 15.383 1.00 0.00 N ATOM 103 CA ASP A 10 19.722 3.052 15.316 1.00 0.00 C ATOM 104 C ASP A 10 20.386 2.666 13.993 1.00 0.00 C ATOM 105 O ASP A 10 20.208 3.346 12.984 1.00 0.00 O ATOM 106 CB ASP A 10 18.354 2.369 15.375 1.00 0.00 C ATOM 107 CG ASP A 10 17.480 2.564 14.134 1.00 0.00 C ATOM 108 OD1 ASP A 10 17.769 3.519 13.381 1.00 0.00 O ATOM 109 OD2 ASP A 10 16.543 1.754 13.967 1.00 0.00 O ATOM 0 H ASP A 10 19.223 4.931 14.535 1.00 0.00 H new ATOM 0 HA ASP A 10 20.324 2.730 16.166 1.00 0.00 H new ATOM 0 HB2 ASP A 10 18.504 1.301 15.531 1.00 0.00 H new ATOM 0 HB3 ASP A 10 17.814 2.745 16.244 1.00 0.00 H new ATOM 114 N PRO A 11 21.159 1.548 14.042 1.00 0.00 N ATOM 115 CA PRO A 11 21.851 1.064 12.860 1.00 0.00 C ATOM 116 C PRO A 11 20.876 0.390 11.892 1.00 0.00 C ATOM 117 O PRO A 11 20.316 -0.661 12.200 1.00 0.00 O ATOM 118 CB PRO A 11 22.915 0.115 13.388 1.00 0.00 C ATOM 119 CG PRO A 11 22.481 -0.255 14.797 1.00 0.00 C ATOM 120 CD PRO A 11 21.392 0.718 15.220 1.00 0.00 C ATOM 0 HA PRO A 11 22.305 1.867 12.280 1.00 0.00 H new ATOM 0 HB2 PRO A 11 22.995 -0.771 12.759 1.00 0.00 H new ATOM 0 HB3 PRO A 11 23.895 0.591 13.394 1.00 0.00 H new ATOM 0 HG2 PRO A 11 22.110 -1.279 14.825 1.00 0.00 H new ATOM 0 HG3 PRO A 11 23.327 -0.203 15.483 1.00 0.00 H new ATOM 0 HD2 PRO A 11 20.485 0.192 15.519 1.00 0.00 H new ATOM 0 HD3 PRO A 11 21.708 1.320 16.072 1.00 0.00 H new ATOM 128 N ARG A 12 20.704 1.023 10.740 1.00 0.00 N ATOM 129 CA ARG A 12 19.807 0.498 9.725 1.00 0.00 C ATOM 130 C ARG A 12 18.380 0.413 10.270 1.00 0.00 C ATOM 131 O ARG A 12 18.174 0.403 11.482 1.00 0.00 O ATOM 132 CB ARG A 12 20.252 -0.891 9.261 1.00 0.00 C ATOM 133 CG ARG A 12 20.512 -0.908 7.754 1.00 0.00 C ATOM 134 CD ARG A 12 20.525 -2.341 7.217 1.00 0.00 C ATOM 135 NE ARG A 12 21.912 -2.857 7.185 1.00 0.00 N ATOM 136 CZ ARG A 12 22.541 -3.385 8.243 1.00 0.00 C ATOM 137 NH1 ARG A 12 21.912 -3.471 9.423 1.00 0.00 N ATOM 138 NH2 ARG A 12 23.800 -3.828 8.122 1.00 0.00 N ATOM 0 H ARG A 12 21.171 1.894 10.488 1.00 0.00 H new ATOM 0 HA ARG A 12 19.835 1.179 8.874 1.00 0.00 H new ATOM 0 HB2 ARG A 12 21.157 -1.183 9.793 1.00 0.00 H new ATOM 0 HB3 ARG A 12 19.485 -1.624 9.510 1.00 0.00 H new ATOM 0 HG2 ARG A 12 19.742 -0.331 7.242 1.00 0.00 H new ATOM 0 HG3 ARG A 12 21.466 -0.427 7.540 1.00 0.00 H new ATOM 0 HD2 ARG A 12 19.905 -2.980 7.846 1.00 0.00 H new ATOM 0 HD3 ARG A 12 20.095 -2.367 6.216 1.00 0.00 H new ATOM 0 HE ARG A 12 22.420 -2.807 6.302 1.00 0.00 H new ATOM 0 HH11 ARG A 12 20.954 -3.134 9.516 1.00 0.00 H new ATOM 0 HH12 ARG A 12 22.392 -3.873 10.228 1.00 0.00 H new ATOM 0 HH21 ARG A 12 24.279 -3.763 7.224 1.00 0.00 H new ATOM 0 HH22 ARG A 12 24.279 -4.230 8.928 1.00 0.00 H new ATOM 152 N SER A 13 17.431 0.354 9.347 1.00 0.00 N ATOM 153 CA SER A 13 16.029 0.271 9.720 1.00 0.00 C ATOM 154 C SER A 13 15.172 0.012 8.479 1.00 0.00 C ATOM 155 O SER A 13 14.971 0.908 7.661 1.00 0.00 O ATOM 156 CB SER A 13 15.570 1.549 10.425 1.00 0.00 C ATOM 157 OG SER A 13 14.430 1.322 11.250 1.00 0.00 O ATOM 0 H SER A 13 17.605 0.362 8.342 1.00 0.00 H new ATOM 0 HA SER A 13 15.909 -0.559 10.416 1.00 0.00 H new ATOM 0 HB2 SER A 13 16.385 1.941 11.033 1.00 0.00 H new ATOM 0 HB3 SER A 13 15.334 2.309 9.680 1.00 0.00 H new ATOM 0 HG SER A 13 14.072 2.181 11.557 1.00 0.00 H new ATOM 163 N MET A 14 14.691 -1.218 8.378 1.00 0.00 N ATOM 164 CA MET A 14 13.860 -1.606 7.250 1.00 0.00 C ATOM 165 C MET A 14 12.454 -1.995 7.713 1.00 0.00 C ATOM 166 O MET A 14 12.158 -3.176 7.888 1.00 0.00 O ATOM 167 CB MET A 14 14.504 -2.790 6.525 1.00 0.00 C ATOM 168 CG MET A 14 14.454 -2.596 5.008 1.00 0.00 C ATOM 169 SD MET A 14 13.765 -4.048 4.230 1.00 0.00 S ATOM 170 CE MET A 14 12.875 -3.285 2.884 1.00 0.00 C ATOM 0 H MET A 14 14.860 -1.959 9.058 1.00 0.00 H new ATOM 0 HA MET A 14 13.778 -0.755 6.574 1.00 0.00 H new ATOM 0 HB2 MET A 14 15.539 -2.899 6.847 1.00 0.00 H new ATOM 0 HB3 MET A 14 13.987 -3.711 6.795 1.00 0.00 H new ATOM 0 HG2 MET A 14 13.850 -1.722 4.764 1.00 0.00 H new ATOM 0 HG3 MET A 14 15.457 -2.408 4.624 1.00 0.00 H new ATOM 0 HE1 MET A 14 12.006 -3.893 2.632 1.00 0.00 H new ATOM 0 HE2 MET A 14 12.547 -2.289 3.183 1.00 0.00 H new ATOM 0 HE3 MET A 14 13.528 -3.207 2.014 1.00 0.00 H new ATOM 180 N ASN A 15 11.625 -0.978 7.898 1.00 0.00 N ATOM 181 CA ASN A 15 10.258 -1.198 8.337 1.00 0.00 C ATOM 182 C ASN A 15 9.332 -0.213 7.621 1.00 0.00 C ATOM 183 O ASN A 15 8.914 0.787 8.202 1.00 0.00 O ATOM 184 CB ASN A 15 10.119 -0.967 9.843 1.00 0.00 C ATOM 185 CG ASN A 15 10.038 -2.297 10.597 1.00 0.00 C ATOM 186 OD1 ASN A 15 10.986 -2.745 11.220 1.00 0.00 O ATOM 187 ND2 ASN A 15 8.856 -2.900 10.504 1.00 0.00 N ATOM 0 H ASN A 15 11.874 0.000 7.752 1.00 0.00 H new ATOM 0 HA ASN A 15 9.991 -2.229 8.104 1.00 0.00 H new ATOM 0 HB2 ASN A 15 10.970 -0.390 10.206 1.00 0.00 H new ATOM 0 HB3 ASN A 15 9.225 -0.376 10.043 1.00 0.00 H new ATOM 0 HD21 ASN A 15 8.701 -3.793 10.971 1.00 0.00 H new ATOM 0 HD22 ASN A 15 8.105 -2.469 9.966 1.00 0.00 H new ATOM 194 N SER A 16 9.039 -0.530 6.368 1.00 0.00 N ATOM 195 CA SER A 16 8.170 0.314 5.566 1.00 0.00 C ATOM 196 C SER A 16 7.357 -0.544 4.594 1.00 0.00 C ATOM 197 O SER A 16 7.903 -1.088 3.636 1.00 0.00 O ATOM 198 CB SER A 16 8.977 1.364 4.800 1.00 0.00 C ATOM 199 OG SER A 16 8.155 2.143 3.935 1.00 0.00 O ATOM 0 H SER A 16 9.388 -1.360 5.889 1.00 0.00 H new ATOM 0 HA SER A 16 7.488 0.837 6.236 1.00 0.00 H new ATOM 0 HB2 SER A 16 9.482 2.021 5.508 1.00 0.00 H new ATOM 0 HB3 SER A 16 9.752 0.869 4.215 1.00 0.00 H new ATOM 0 HG SER A 16 8.344 3.095 4.074 1.00 0.00 H new ATOM 205 N ARG A 17 6.066 -0.638 4.876 1.00 0.00 N ATOM 206 CA ARG A 17 5.173 -1.421 4.039 1.00 0.00 C ATOM 207 C ARG A 17 3.797 -0.756 3.964 1.00 0.00 C ATOM 208 O ARG A 17 3.211 -0.416 4.991 1.00 0.00 O ATOM 209 CB ARG A 17 5.015 -2.843 4.581 1.00 0.00 C ATOM 210 CG ARG A 17 5.194 -3.877 3.467 1.00 0.00 C ATOM 211 CD ARG A 17 5.118 -5.301 4.023 1.00 0.00 C ATOM 212 NE ARG A 17 6.482 -5.825 4.260 1.00 0.00 N ATOM 213 CZ ARG A 17 7.333 -6.170 3.285 1.00 0.00 C ATOM 214 NH1 ARG A 17 6.968 -6.048 2.002 1.00 0.00 N ATOM 215 NH2 ARG A 17 8.551 -6.636 3.593 1.00 0.00 N ATOM 0 H ARG A 17 5.617 -0.185 5.672 1.00 0.00 H new ATOM 0 HA ARG A 17 5.612 -1.471 3.042 1.00 0.00 H new ATOM 0 HB2 ARG A 17 5.749 -3.020 5.368 1.00 0.00 H new ATOM 0 HB3 ARG A 17 4.030 -2.957 5.033 1.00 0.00 H new ATOM 0 HG2 ARG A 17 4.423 -3.737 2.709 1.00 0.00 H new ATOM 0 HG3 ARG A 17 6.155 -3.725 2.976 1.00 0.00 H new ATOM 0 HD2 ARG A 17 4.550 -5.307 4.953 1.00 0.00 H new ATOM 0 HD3 ARG A 17 4.588 -5.946 3.322 1.00 0.00 H new ATOM 0 HE ARG A 17 6.793 -5.930 5.226 1.00 0.00 H new ATOM 0 HH11 ARG A 17 6.041 -5.692 1.767 1.00 0.00 H new ATOM 0 HH12 ARG A 17 7.617 -6.311 1.260 1.00 0.00 H new ATOM 0 HH21 ARG A 17 8.830 -6.728 4.570 1.00 0.00 H new ATOM 0 HH22 ARG A 17 9.199 -6.899 2.851 1.00 0.00 H new ATOM 229 N VAL A 18 3.321 -0.591 2.739 1.00 0.00 N ATOM 230 CA VAL A 18 2.025 0.028 2.517 1.00 0.00 C ATOM 231 C VAL A 18 1.067 -1.006 1.921 1.00 0.00 C ATOM 232 O VAL A 18 1.392 -1.660 0.931 1.00 0.00 O ATOM 233 CB VAL A 18 2.182 1.272 1.641 1.00 0.00 C ATOM 234 CG1 VAL A 18 0.831 1.951 1.404 1.00 0.00 C ATOM 235 CG2 VAL A 18 3.187 2.250 2.252 1.00 0.00 C ATOM 0 H VAL A 18 3.809 -0.875 1.890 1.00 0.00 H new ATOM 0 HA VAL A 18 1.595 0.364 3.461 1.00 0.00 H new ATOM 0 HB VAL A 18 2.571 0.953 0.674 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.972 2.832 0.778 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.157 1.255 0.904 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.401 2.250 2.360 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.280 3.125 1.609 1.00 0.00 H new ATOM 0 HG22 VAL A 18 2.841 2.559 3.238 1.00 0.00 H new ATOM 0 HG23 VAL A 18 4.158 1.763 2.345 1.00 0.00 H new ATOM 245 N PHE A 19 -0.094 -1.121 2.548 1.00 0.00 N ATOM 246 CA PHE A 19 -1.101 -2.064 2.093 1.00 0.00 C ATOM 247 C PHE A 19 -2.144 -1.370 1.215 1.00 0.00 C ATOM 248 O PHE A 19 -3.068 -0.738 1.724 1.00 0.00 O ATOM 249 CB PHE A 19 -1.790 -2.620 3.340 1.00 0.00 C ATOM 250 CG PHE A 19 -3.191 -3.178 3.081 1.00 0.00 C ATOM 251 CD1 PHE A 19 -3.485 -3.746 1.880 1.00 0.00 C ATOM 252 CD2 PHE A 19 -4.142 -3.106 4.050 1.00 0.00 C ATOM 253 CE1 PHE A 19 -4.786 -4.263 1.639 1.00 0.00 C ATOM 254 CE2 PHE A 19 -5.442 -3.623 3.809 1.00 0.00 C ATOM 255 CZ PHE A 19 -5.737 -4.191 2.609 1.00 0.00 C ATOM 0 H PHE A 19 -0.360 -0.576 3.368 1.00 0.00 H new ATOM 0 HA PHE A 19 -0.633 -2.851 1.502 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -1.169 -3.409 3.764 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -1.857 -1.830 4.088 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -2.730 -3.804 1.110 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.908 -2.655 5.003 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -5.020 -4.713 0.686 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -6.197 -3.565 4.579 1.00 0.00 H new ATOM 0 HZ PHE A 19 -6.726 -4.585 2.426 1.00 0.00 H new ATOM 265 N ILE A 20 -1.962 -1.511 -0.090 1.00 0.00 N ATOM 266 CA ILE A 20 -2.876 -0.906 -1.044 1.00 0.00 C ATOM 267 C ILE A 20 -4.064 -1.843 -1.270 1.00 0.00 C ATOM 268 O ILE A 20 -3.897 -2.953 -1.773 1.00 0.00 O ATOM 269 CB ILE A 20 -2.136 -0.529 -2.329 1.00 0.00 C ATOM 270 CG1 ILE A 20 -0.896 0.312 -2.021 1.00 0.00 C ATOM 271 CG2 ILE A 20 -3.073 0.172 -3.315 1.00 0.00 C ATOM 272 CD1 ILE A 20 0.371 -0.365 -2.549 1.00 0.00 C ATOM 0 H ILE A 20 -1.194 -2.036 -0.509 1.00 0.00 H new ATOM 0 HA ILE A 20 -3.277 0.027 -0.649 1.00 0.00 H new ATOM 0 HB ILE A 20 -1.792 -1.446 -2.807 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -1.000 1.299 -2.472 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -0.811 0.461 -0.945 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -2.522 0.429 -4.220 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.898 -0.494 -3.569 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -3.467 1.080 -2.859 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.238 0.254 -2.317 1.00 0.00 H new ATOM 0 HD12 ILE A 20 0.485 -1.341 -2.078 1.00 0.00 H new ATOM 0 HD13 ILE A 20 0.293 -0.490 -3.629 1.00 0.00 H new ATOM 284 N GLY A 21 -5.238 -1.361 -0.888 1.00 0.00 N ATOM 285 CA GLY A 21 -6.453 -2.141 -1.044 1.00 0.00 C ATOM 286 C GLY A 21 -7.433 -1.448 -1.993 1.00 0.00 C ATOM 287 O GLY A 21 -7.263 -0.273 -2.316 1.00 0.00 O ATOM 0 H GLY A 21 -5.373 -0.440 -0.471 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -6.207 -3.131 -1.429 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -6.924 -2.285 -0.072 1.00 0.00 H new ATOM 291 N ASN A 22 -8.436 -2.205 -2.413 1.00 0.00 N ATOM 292 CA ASN A 22 -9.442 -1.678 -3.319 1.00 0.00 C ATOM 293 C ASN A 22 -8.751 -1.012 -4.510 1.00 0.00 C ATOM 294 O ASN A 22 -9.155 0.066 -4.943 1.00 0.00 O ATOM 295 CB ASN A 22 -10.309 -0.625 -2.626 1.00 0.00 C ATOM 296 CG ASN A 22 -11.687 -0.528 -3.285 1.00 0.00 C ATOM 297 OD1 ASN A 22 -12.507 -1.427 -3.202 1.00 0.00 O ATOM 298 ND2 ASN A 22 -11.893 0.609 -3.943 1.00 0.00 N ATOM 0 H ASN A 22 -8.573 -3.179 -2.143 1.00 0.00 H new ATOM 0 HA ASN A 22 -10.071 -2.507 -3.644 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -10.423 -0.879 -1.572 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -9.813 0.345 -2.668 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -12.781 0.770 -4.418 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -11.163 1.321 -3.973 1.00 0.00 H new ATOM 305 N LEU A 23 -7.722 -1.682 -5.007 1.00 0.00 N ATOM 306 CA LEU A 23 -6.971 -1.169 -6.140 1.00 0.00 C ATOM 307 C LEU A 23 -7.555 -1.741 -7.434 1.00 0.00 C ATOM 308 O LEU A 23 -7.482 -2.945 -7.673 1.00 0.00 O ATOM 309 CB LEU A 23 -5.477 -1.448 -5.964 1.00 0.00 C ATOM 310 CG LEU A 23 -4.526 -0.432 -6.599 1.00 0.00 C ATOM 311 CD1 LEU A 23 -3.069 -0.871 -6.439 1.00 0.00 C ATOM 312 CD2 LEU A 23 -4.891 -0.180 -8.063 1.00 0.00 C ATOM 0 H LEU A 23 -7.390 -2.576 -4.646 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.064 -0.085 -6.199 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.261 -1.501 -4.897 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.259 -2.431 -6.382 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.637 0.516 -6.072 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.414 -0.131 -6.899 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.830 -0.959 -5.379 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.924 -1.836 -6.925 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.199 0.546 -8.491 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.826 -1.115 -8.620 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.908 0.208 -8.123 1.00 0.00 H new ATOM 324 N ASN A 24 -8.121 -0.849 -8.234 1.00 0.00 N ATOM 325 CA ASN A 24 -8.716 -1.250 -9.498 1.00 0.00 C ATOM 326 C ASN A 24 -7.613 -1.698 -10.458 1.00 0.00 C ATOM 327 O ASN A 24 -7.358 -1.042 -11.466 1.00 0.00 O ATOM 328 CB ASN A 24 -9.464 -0.084 -10.148 1.00 0.00 C ATOM 329 CG ASN A 24 -10.244 -0.551 -11.379 1.00 0.00 C ATOM 330 OD1 ASN A 24 -9.921 -1.544 -12.010 1.00 0.00 O ATOM 331 ND2 ASN A 24 -11.285 0.218 -11.684 1.00 0.00 N ATOM 0 H ASN A 24 -8.180 0.149 -8.032 1.00 0.00 H new ATOM 0 HA ASN A 24 -9.415 -2.062 -9.299 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -10.149 0.361 -9.426 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -8.755 0.693 -10.435 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -11.869 -0.010 -12.489 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -11.500 1.036 -11.113 1.00 0.00 H new ATOM 338 N THR A 25 -6.987 -2.813 -10.110 1.00 0.00 N ATOM 339 CA THR A 25 -5.916 -3.357 -10.928 1.00 0.00 C ATOM 340 C THR A 25 -6.416 -3.628 -12.349 1.00 0.00 C ATOM 341 O THR A 25 -5.618 -3.791 -13.271 1.00 0.00 O ATOM 342 CB THR A 25 -5.372 -4.604 -10.228 1.00 0.00 C ATOM 343 OG1 THR A 25 -6.429 -5.553 -10.339 1.00 0.00 O ATOM 344 CG2 THR A 25 -5.209 -4.403 -8.720 1.00 0.00 C ATOM 0 H THR A 25 -7.201 -3.355 -9.273 1.00 0.00 H new ATOM 0 HA THR A 25 -5.099 -2.644 -11.034 1.00 0.00 H new ATOM 0 HB THR A 25 -4.411 -4.876 -10.665 1.00 0.00 H new ATOM 0 HG1 THR A 25 -6.075 -6.397 -10.688 1.00 0.00 H new ATOM 0 HG21 THR A 25 -4.820 -5.317 -8.271 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.514 -3.584 -8.535 1.00 0.00 H new ATOM 0 HG23 THR A 25 -6.176 -4.165 -8.278 1.00 0.00 H new ATOM 352 N LEU A 26 -7.734 -3.667 -12.481 1.00 0.00 N ATOM 353 CA LEU A 26 -8.349 -3.915 -13.774 1.00 0.00 C ATOM 354 C LEU A 26 -8.087 -2.722 -14.696 1.00 0.00 C ATOM 355 O LEU A 26 -8.312 -2.805 -15.902 1.00 0.00 O ATOM 356 CB LEU A 26 -9.833 -4.248 -13.606 1.00 0.00 C ATOM 357 CG LEU A 26 -10.214 -5.720 -13.781 1.00 0.00 C ATOM 358 CD1 LEU A 26 -11.720 -5.920 -13.607 1.00 0.00 C ATOM 359 CD2 LEU A 26 -9.716 -6.258 -15.124 1.00 0.00 C ATOM 0 H LEU A 26 -8.393 -3.531 -11.714 1.00 0.00 H new ATOM 0 HA LEU A 26 -7.901 -4.789 -14.248 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -10.147 -3.928 -12.612 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -10.401 -3.658 -14.325 1.00 0.00 H new ATOM 0 HG LEU A 26 -9.720 -6.297 -12.999 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -11.964 -6.974 -13.736 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -12.017 -5.598 -12.609 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -12.254 -5.330 -14.352 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -9.999 -7.306 -15.224 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.163 -5.682 -15.935 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.631 -6.170 -15.171 1.00 0.00 H new ATOM 371 N VAL A 27 -7.616 -1.641 -14.092 1.00 0.00 N ATOM 372 CA VAL A 27 -7.321 -0.433 -14.844 1.00 0.00 C ATOM 373 C VAL A 27 -5.965 0.121 -14.400 1.00 0.00 C ATOM 374 O VAL A 27 -5.103 0.401 -15.231 1.00 0.00 O ATOM 375 CB VAL A 27 -8.461 0.575 -14.683 1.00 0.00 C ATOM 376 CG1 VAL A 27 -8.174 1.856 -15.468 1.00 0.00 C ATOM 377 CG2 VAL A 27 -9.798 -0.038 -15.102 1.00 0.00 C ATOM 0 H VAL A 27 -7.431 -1.576 -13.091 1.00 0.00 H new ATOM 0 HA VAL A 27 -7.249 -0.654 -15.909 1.00 0.00 H new ATOM 0 HB VAL A 27 -8.530 0.838 -13.627 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -8.999 2.556 -15.337 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -7.253 2.309 -15.101 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -8.065 1.618 -16.526 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -10.591 0.699 -14.978 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -9.747 -0.343 -16.147 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -10.010 -0.908 -14.480 1.00 0.00 H new ATOM 387 N VAL A 28 -5.820 0.261 -13.090 1.00 0.00 N ATOM 388 CA VAL A 28 -4.584 0.776 -12.526 1.00 0.00 C ATOM 389 C VAL A 28 -3.436 -0.176 -12.867 1.00 0.00 C ATOM 390 O VAL A 28 -3.632 -1.389 -12.940 1.00 0.00 O ATOM 391 CB VAL A 28 -4.749 0.999 -11.021 1.00 0.00 C ATOM 392 CG1 VAL A 28 -3.660 1.928 -10.482 1.00 0.00 C ATOM 393 CG2 VAL A 28 -6.142 1.541 -10.697 1.00 0.00 C ATOM 0 H VAL A 28 -6.537 0.027 -12.404 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.341 1.746 -12.961 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.641 0.034 -10.525 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.800 2.070 -9.410 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.681 1.485 -10.664 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.722 2.892 -10.987 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.233 1.691 -9.621 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.291 2.491 -11.209 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -6.896 0.828 -11.029 1.00 0.00 H new ATOM 403 N LYS A 29 -2.264 0.408 -13.066 1.00 0.00 N ATOM 404 CA LYS A 29 -1.085 -0.374 -13.398 1.00 0.00 C ATOM 405 C LYS A 29 -0.033 -0.192 -12.302 1.00 0.00 C ATOM 406 O LYS A 29 0.054 0.872 -11.691 1.00 0.00 O ATOM 407 CB LYS A 29 -0.583 -0.018 -14.798 1.00 0.00 C ATOM 408 CG LYS A 29 0.727 -0.745 -15.113 1.00 0.00 C ATOM 409 CD LYS A 29 0.456 -2.131 -15.702 1.00 0.00 C ATOM 410 CE LYS A 29 0.586 -3.216 -14.632 1.00 0.00 C ATOM 411 NZ LYS A 29 0.619 -4.558 -15.256 1.00 0.00 N ATOM 0 H LYS A 29 -2.105 1.414 -13.004 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.329 -1.436 -13.433 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -1.338 -0.285 -15.538 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -0.432 1.059 -14.871 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.314 -0.155 -15.817 1.00 0.00 H new ATOM 0 HG3 LYS A 29 1.321 -0.842 -14.204 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -0.545 -2.158 -16.132 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.157 -2.329 -16.513 1.00 0.00 H new ATOM 0 HE2 LYS A 29 1.495 -3.056 -14.052 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.251 -3.152 -13.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 0.708 -5.283 -14.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -0.260 -4.714 -15.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 1.432 -4.621 -15.901 1.00 0.00 H new ATOM 425 N LYS A 30 0.740 -1.246 -12.087 1.00 0.00 N ATOM 426 CA LYS A 30 1.783 -1.216 -11.076 1.00 0.00 C ATOM 427 C LYS A 30 2.541 0.110 -11.171 1.00 0.00 C ATOM 428 O LYS A 30 2.745 0.786 -10.164 1.00 0.00 O ATOM 429 CB LYS A 30 2.681 -2.448 -11.195 1.00 0.00 C ATOM 430 CG LYS A 30 3.028 -3.010 -9.815 1.00 0.00 C ATOM 431 CD LYS A 30 2.651 -4.489 -9.714 1.00 0.00 C ATOM 432 CE LYS A 30 3.880 -5.382 -9.894 1.00 0.00 C ATOM 433 NZ LYS A 30 3.761 -6.183 -11.133 1.00 0.00 N ATOM 0 H LYS A 30 0.665 -2.127 -12.596 1.00 0.00 H new ATOM 0 HA LYS A 30 1.347 -1.264 -10.078 1.00 0.00 H new ATOM 0 HB2 LYS A 30 2.178 -3.213 -11.787 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.596 -2.185 -11.725 1.00 0.00 H new ATOM 0 HG2 LYS A 30 4.095 -2.890 -9.627 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.503 -2.444 -9.046 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.193 -4.686 -8.745 1.00 0.00 H new ATOM 0 HD3 LYS A 30 1.907 -4.731 -10.473 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.780 -4.768 -9.936 1.00 0.00 H new ATOM 0 HE3 LYS A 30 3.985 -6.044 -9.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 4.603 -6.784 -11.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 2.913 -6.782 -11.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 3.683 -5.546 -11.952 1.00 0.00 H new ATOM 447 N SER A 31 2.938 0.441 -12.391 1.00 0.00 N ATOM 448 CA SER A 31 3.669 1.674 -12.630 1.00 0.00 C ATOM 449 C SER A 31 2.862 2.869 -12.120 1.00 0.00 C ATOM 450 O SER A 31 3.433 3.854 -11.653 1.00 0.00 O ATOM 451 CB SER A 31 3.988 1.844 -14.117 1.00 0.00 C ATOM 452 OG SER A 31 5.311 2.332 -14.327 1.00 0.00 O ATOM 0 H SER A 31 2.767 -0.123 -13.224 1.00 0.00 H new ATOM 0 HA SER A 31 4.612 1.624 -12.086 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.870 0.887 -14.625 1.00 0.00 H new ATOM 0 HB3 SER A 31 3.272 2.533 -14.565 1.00 0.00 H new ATOM 0 HG SER A 31 5.477 2.425 -15.288 1.00 0.00 H new ATOM 458 N ASP A 32 1.548 2.743 -12.226 1.00 0.00 N ATOM 459 CA ASP A 32 0.656 3.801 -11.781 1.00 0.00 C ATOM 460 C ASP A 32 0.703 3.893 -10.255 1.00 0.00 C ATOM 461 O ASP A 32 0.606 4.982 -9.692 1.00 0.00 O ATOM 462 CB ASP A 32 -0.789 3.514 -12.194 1.00 0.00 C ATOM 463 CG ASP A 32 -1.611 4.747 -12.570 1.00 0.00 C ATOM 464 OD1 ASP A 32 -1.158 5.477 -13.478 1.00 0.00 O ATOM 465 OD2 ASP A 32 -2.675 4.934 -11.941 1.00 0.00 O ATOM 0 H ASP A 32 1.079 1.924 -12.614 1.00 0.00 H new ATOM 0 HA ASP A 32 0.983 4.734 -12.241 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -0.779 2.830 -13.043 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -1.290 2.998 -11.374 1.00 0.00 H new ATOM 470 N VAL A 33 0.852 2.735 -9.629 1.00 0.00 N ATOM 471 CA VAL A 33 0.913 2.671 -8.178 1.00 0.00 C ATOM 472 C VAL A 33 2.364 2.845 -7.725 1.00 0.00 C ATOM 473 O VAL A 33 2.623 3.143 -6.560 1.00 0.00 O ATOM 474 CB VAL A 33 0.285 1.366 -7.685 1.00 0.00 C ATOM 475 CG1 VAL A 33 0.248 1.318 -6.156 1.00 0.00 C ATOM 476 CG2 VAL A 33 -1.115 1.175 -8.273 1.00 0.00 C ATOM 0 H VAL A 33 0.932 1.834 -10.100 1.00 0.00 H new ATOM 0 HA VAL A 33 0.335 3.482 -7.735 1.00 0.00 H new ATOM 0 HB VAL A 33 0.910 0.542 -8.031 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.203 0.380 -5.832 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.263 1.386 -5.765 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.343 2.153 -5.780 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.539 0.240 -7.907 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.753 2.006 -7.971 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.052 1.143 -9.361 1.00 0.00 H new ATOM 486 N GLU A 34 3.273 2.650 -8.669 1.00 0.00 N ATOM 487 CA GLU A 34 4.691 2.781 -8.381 1.00 0.00 C ATOM 488 C GLU A 34 5.153 4.217 -8.635 1.00 0.00 C ATOM 489 O GLU A 34 6.001 4.737 -7.911 1.00 0.00 O ATOM 490 CB GLU A 34 5.512 1.787 -9.205 1.00 0.00 C ATOM 491 CG GLU A 34 5.785 0.509 -8.410 1.00 0.00 C ATOM 492 CD GLU A 34 6.311 -0.602 -9.321 1.00 0.00 C ATOM 493 OE1 GLU A 34 5.493 -1.126 -10.107 1.00 0.00 O ATOM 494 OE2 GLU A 34 7.520 -0.902 -9.210 1.00 0.00 O ATOM 0 H GLU A 34 3.055 2.402 -9.634 1.00 0.00 H new ATOM 0 HA GLU A 34 4.851 2.549 -7.328 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.978 1.541 -10.123 1.00 0.00 H new ATOM 0 HB3 GLU A 34 6.456 2.245 -9.499 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.512 0.714 -7.624 1.00 0.00 H new ATOM 0 HG3 GLU A 34 4.869 0.179 -7.920 1.00 0.00 H new ATOM 501 N ALA A 35 4.576 4.818 -9.665 1.00 0.00 N ATOM 502 CA ALA A 35 4.918 6.184 -10.023 1.00 0.00 C ATOM 503 C ALA A 35 4.194 7.150 -9.082 1.00 0.00 C ATOM 504 O ALA A 35 4.799 8.087 -8.563 1.00 0.00 O ATOM 505 CB ALA A 35 4.569 6.429 -11.492 1.00 0.00 C ATOM 0 H ALA A 35 3.873 4.384 -10.263 1.00 0.00 H new ATOM 0 HA ALA A 35 5.989 6.354 -9.910 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.825 7.454 -11.761 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.131 5.738 -12.120 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.501 6.270 -11.644 1.00 0.00 H new ATOM 511 N ILE A 36 2.909 6.888 -8.892 1.00 0.00 N ATOM 512 CA ILE A 36 2.097 7.722 -8.023 1.00 0.00 C ATOM 513 C ILE A 36 2.677 7.694 -6.607 1.00 0.00 C ATOM 514 O ILE A 36 2.569 8.671 -5.869 1.00 0.00 O ATOM 515 CB ILE A 36 0.628 7.299 -8.094 1.00 0.00 C ATOM 516 CG1 ILE A 36 0.061 7.520 -9.498 1.00 0.00 C ATOM 517 CG2 ILE A 36 -0.200 8.012 -7.023 1.00 0.00 C ATOM 518 CD1 ILE A 36 -1.265 6.779 -9.677 1.00 0.00 C ATOM 0 H ILE A 36 2.411 6.110 -9.325 1.00 0.00 H new ATOM 0 HA ILE A 36 2.123 8.759 -8.358 1.00 0.00 H new ATOM 0 HB ILE A 36 0.570 6.230 -7.888 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.088 8.586 -9.670 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.778 7.174 -10.242 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -1.240 7.694 -7.095 1.00 0.00 H new ATOM 0 HG22 ILE A 36 0.188 7.761 -6.036 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.139 9.090 -7.174 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.646 6.953 -10.683 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.108 5.711 -9.528 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.987 7.145 -8.947 1.00 0.00 H new ATOM 530 N PHE A 37 3.280 6.563 -6.272 1.00 0.00 N ATOM 531 CA PHE A 37 3.877 6.394 -4.958 1.00 0.00 C ATOM 532 C PHE A 37 5.356 6.787 -4.973 1.00 0.00 C ATOM 533 O PHE A 37 5.842 7.426 -4.041 1.00 0.00 O ATOM 534 CB PHE A 37 3.759 4.912 -4.600 1.00 0.00 C ATOM 535 CG PHE A 37 2.340 4.471 -4.233 1.00 0.00 C ATOM 536 CD1 PHE A 37 1.316 4.685 -5.102 1.00 0.00 C ATOM 537 CD2 PHE A 37 2.104 3.865 -3.039 1.00 0.00 C ATOM 538 CE1 PHE A 37 -0.001 4.276 -4.762 1.00 0.00 C ATOM 539 CE2 PHE A 37 0.787 3.456 -2.699 1.00 0.00 C ATOM 540 CZ PHE A 37 -0.237 3.670 -3.567 1.00 0.00 C ATOM 0 H PHE A 37 3.368 5.755 -6.888 1.00 0.00 H new ATOM 0 HA PHE A 37 3.367 7.029 -4.234 1.00 0.00 H new ATOM 0 HB2 PHE A 37 4.107 4.316 -5.444 1.00 0.00 H new ATOM 0 HB3 PHE A 37 4.423 4.697 -3.763 1.00 0.00 H new ATOM 0 HD1 PHE A 37 1.504 5.166 -6.051 1.00 0.00 H new ATOM 0 HD2 PHE A 37 2.918 3.695 -2.349 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -0.815 4.446 -5.452 1.00 0.00 H new ATOM 0 HE2 PHE A 37 0.599 2.975 -1.751 1.00 0.00 H new ATOM 0 HZ PHE A 37 -1.238 3.359 -3.308 1.00 0.00 H new ATOM 550 N SER A 38 6.030 6.388 -6.042 1.00 0.00 N ATOM 551 CA SER A 38 7.443 6.690 -6.191 1.00 0.00 C ATOM 552 C SER A 38 7.707 8.153 -5.829 1.00 0.00 C ATOM 553 O SER A 38 8.815 8.508 -5.430 1.00 0.00 O ATOM 554 CB SER A 38 7.921 6.402 -7.616 1.00 0.00 C ATOM 555 OG SER A 38 8.361 5.055 -7.769 1.00 0.00 O ATOM 0 H SER A 38 5.623 5.858 -6.813 1.00 0.00 H new ATOM 0 HA SER A 38 8.003 6.047 -5.512 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.111 6.601 -8.317 1.00 0.00 H new ATOM 0 HB3 SER A 38 8.736 7.081 -7.869 1.00 0.00 H new ATOM 0 HG SER A 38 7.656 4.527 -8.199 1.00 0.00 H new ATOM 561 N LYS A 39 6.669 8.963 -5.982 1.00 0.00 N ATOM 562 CA LYS A 39 6.775 10.380 -5.676 1.00 0.00 C ATOM 563 C LYS A 39 6.807 10.569 -4.158 1.00 0.00 C ATOM 564 O LYS A 39 7.605 11.350 -3.643 1.00 0.00 O ATOM 565 CB LYS A 39 5.657 11.162 -6.369 1.00 0.00 C ATOM 566 CG LYS A 39 4.353 11.077 -5.573 1.00 0.00 C ATOM 567 CD LYS A 39 3.170 11.577 -6.405 1.00 0.00 C ATOM 568 CE LYS A 39 2.590 12.863 -5.815 1.00 0.00 C ATOM 569 NZ LYS A 39 1.198 12.643 -5.360 1.00 0.00 N ATOM 0 H LYS A 39 5.751 8.665 -6.314 1.00 0.00 H new ATOM 0 HA LYS A 39 7.708 10.786 -6.068 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.953 12.205 -6.479 1.00 0.00 H new ATOM 0 HB3 LYS A 39 5.501 10.767 -7.373 1.00 0.00 H new ATOM 0 HG2 LYS A 39 4.177 10.046 -5.266 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.439 11.670 -4.663 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.492 11.756 -7.431 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.397 10.809 -6.443 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.204 13.195 -4.978 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.614 13.656 -6.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 0.819 13.526 -4.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 0.612 12.347 -6.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.184 11.901 -4.631 1.00 0.00 H new ATOM 583 N TYR A 40 5.930 9.839 -3.484 1.00 0.00 N ATOM 584 CA TYR A 40 5.848 9.916 -2.036 1.00 0.00 C ATOM 585 C TYR A 40 7.127 9.385 -1.385 1.00 0.00 C ATOM 586 O TYR A 40 7.324 9.535 -0.180 1.00 0.00 O ATOM 587 CB TYR A 40 4.675 9.022 -1.631 1.00 0.00 C ATOM 588 CG TYR A 40 3.311 9.712 -1.706 1.00 0.00 C ATOM 589 CD1 TYR A 40 3.139 10.963 -1.148 1.00 0.00 C ATOM 590 CD2 TYR A 40 2.254 9.085 -2.332 1.00 0.00 C ATOM 591 CE1 TYR A 40 1.856 11.613 -1.219 1.00 0.00 C ATOM 592 CE2 TYR A 40 0.971 9.734 -2.403 1.00 0.00 C ATOM 593 CZ TYR A 40 0.835 10.966 -1.843 1.00 0.00 C ATOM 594 OH TYR A 40 -0.377 11.580 -1.910 1.00 0.00 O ATOM 0 H TYR A 40 5.270 9.191 -3.915 1.00 0.00 H new ATOM 0 HA TYR A 40 5.716 10.949 -1.714 1.00 0.00 H new ATOM 0 HB2 TYR A 40 4.662 8.143 -2.276 1.00 0.00 H new ATOM 0 HB3 TYR A 40 4.836 8.668 -0.613 1.00 0.00 H new ATOM 0 HD1 TYR A 40 3.967 11.454 -0.658 1.00 0.00 H new ATOM 0 HD2 TYR A 40 2.389 8.107 -2.769 1.00 0.00 H new ATOM 0 HE1 TYR A 40 1.708 12.592 -0.787 1.00 0.00 H new ATOM 0 HE2 TYR A 40 0.135 9.253 -2.890 1.00 0.00 H new ATOM 0 HH TYR A 40 -1.011 11.002 -2.384 1.00 0.00 H new ATOM 604 N GLY A 41 7.964 8.774 -2.212 1.00 0.00 N ATOM 605 CA GLY A 41 9.218 8.219 -1.732 1.00 0.00 C ATOM 606 C GLY A 41 9.738 7.139 -2.682 1.00 0.00 C ATOM 607 O GLY A 41 8.994 6.635 -3.522 1.00 0.00 O ATOM 0 H GLY A 41 7.798 8.651 -3.211 1.00 0.00 H new ATOM 0 HA2 GLY A 41 9.959 9.013 -1.638 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.076 7.796 -0.738 1.00 0.00 H new ATOM 611 N LYS A 42 11.012 6.814 -2.516 1.00 0.00 N ATOM 612 CA LYS A 42 11.640 5.802 -3.349 1.00 0.00 C ATOM 613 C LYS A 42 11.114 4.422 -2.951 1.00 0.00 C ATOM 614 O LYS A 42 11.138 4.059 -1.776 1.00 0.00 O ATOM 615 CB LYS A 42 13.164 5.922 -3.280 1.00 0.00 C ATOM 616 CG LYS A 42 13.840 4.722 -3.946 1.00 0.00 C ATOM 617 CD LYS A 42 15.086 5.154 -4.721 1.00 0.00 C ATOM 618 CE LYS A 42 16.074 3.995 -4.860 1.00 0.00 C ATOM 619 NZ LYS A 42 17.089 4.046 -3.784 1.00 0.00 N ATOM 0 H LYS A 42 11.626 7.233 -1.818 1.00 0.00 H new ATOM 0 HA LYS A 42 11.378 5.954 -4.396 1.00 0.00 H new ATOM 0 HB2 LYS A 42 13.482 6.842 -3.771 1.00 0.00 H new ATOM 0 HB3 LYS A 42 13.480 5.990 -2.239 1.00 0.00 H new ATOM 0 HG2 LYS A 42 14.115 3.988 -3.188 1.00 0.00 H new ATOM 0 HG3 LYS A 42 13.138 4.234 -4.622 1.00 0.00 H new ATOM 0 HD2 LYS A 42 14.798 5.512 -5.710 1.00 0.00 H new ATOM 0 HD3 LYS A 42 15.567 5.987 -4.208 1.00 0.00 H new ATOM 0 HE2 LYS A 42 15.539 3.046 -4.818 1.00 0.00 H new ATOM 0 HE3 LYS A 42 16.564 4.042 -5.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 17.752 3.252 -3.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 17.611 4.943 -3.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 16.618 3.979 -2.859 1.00 0.00 H new ATOM 633 N ILE A 43 10.651 3.689 -3.953 1.00 0.00 N ATOM 634 CA ILE A 43 10.119 2.356 -3.722 1.00 0.00 C ATOM 635 C ILE A 43 11.223 1.324 -3.959 1.00 0.00 C ATOM 636 O ILE A 43 12.011 1.455 -4.895 1.00 0.00 O ATOM 637 CB ILE A 43 8.868 2.124 -4.572 1.00 0.00 C ATOM 638 CG1 ILE A 43 7.820 3.208 -4.312 1.00 0.00 C ATOM 639 CG2 ILE A 43 8.307 0.719 -4.348 1.00 0.00 C ATOM 640 CD1 ILE A 43 6.835 3.309 -5.478 1.00 0.00 C ATOM 0 H ILE A 43 10.633 3.993 -4.927 1.00 0.00 H new ATOM 0 HA ILE A 43 9.797 2.248 -2.686 1.00 0.00 H new ATOM 0 HB ILE A 43 9.150 2.195 -5.622 1.00 0.00 H new ATOM 0 HG12 ILE A 43 7.279 2.983 -3.393 1.00 0.00 H new ATOM 0 HG13 ILE A 43 8.314 4.168 -4.164 1.00 0.00 H new ATOM 0 HG21 ILE A 43 7.418 0.580 -4.964 1.00 0.00 H new ATOM 0 HG22 ILE A 43 9.059 -0.021 -4.623 1.00 0.00 H new ATOM 0 HG23 ILE A 43 8.044 0.596 -3.298 1.00 0.00 H new ATOM 0 HD11 ILE A 43 6.101 4.087 -5.268 1.00 0.00 H new ATOM 0 HD12 ILE A 43 7.376 3.558 -6.391 1.00 0.00 H new ATOM 0 HD13 ILE A 43 6.325 2.354 -5.607 1.00 0.00 H new ATOM 652 N VAL A 44 11.246 0.320 -3.094 1.00 0.00 N ATOM 653 CA VAL A 44 12.240 -0.734 -3.197 1.00 0.00 C ATOM 654 C VAL A 44 11.556 -2.035 -3.624 1.00 0.00 C ATOM 655 O VAL A 44 12.195 -2.918 -4.195 1.00 0.00 O ATOM 656 CB VAL A 44 13.002 -0.865 -1.877 1.00 0.00 C ATOM 657 CG1 VAL A 44 13.613 0.474 -1.461 1.00 0.00 C ATOM 658 CG2 VAL A 44 12.099 -1.421 -0.775 1.00 0.00 C ATOM 0 H VAL A 44 10.592 0.215 -2.319 1.00 0.00 H new ATOM 0 HA VAL A 44 12.978 -0.489 -3.961 1.00 0.00 H new ATOM 0 HB VAL A 44 13.817 -1.572 -2.030 1.00 0.00 H new ATOM 0 HG11 VAL A 44 14.149 0.353 -0.520 1.00 0.00 H new ATOM 0 HG12 VAL A 44 14.305 0.813 -2.232 1.00 0.00 H new ATOM 0 HG13 VAL A 44 12.821 1.212 -1.335 1.00 0.00 H new ATOM 0 HG21 VAL A 44 12.666 -1.504 0.152 1.00 0.00 H new ATOM 0 HG22 VAL A 44 11.253 -0.750 -0.625 1.00 0.00 H new ATOM 0 HG23 VAL A 44 11.734 -2.406 -1.066 1.00 0.00 H new ATOM 668 N GLY A 45 10.266 -2.111 -3.331 1.00 0.00 N ATOM 669 CA GLY A 45 9.489 -3.289 -3.677 1.00 0.00 C ATOM 670 C GLY A 45 7.991 -2.978 -3.671 1.00 0.00 C ATOM 671 O GLY A 45 7.436 -2.598 -2.641 1.00 0.00 O ATOM 0 H GLY A 45 9.740 -1.376 -2.858 1.00 0.00 H new ATOM 0 HA2 GLY A 45 9.786 -3.648 -4.662 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.701 -4.090 -2.969 1.00 0.00 H new ATOM 675 N CYS A 46 7.378 -3.151 -4.833 1.00 0.00 N ATOM 676 CA CYS A 46 5.955 -2.894 -4.974 1.00 0.00 C ATOM 677 C CYS A 46 5.321 -4.085 -5.696 1.00 0.00 C ATOM 678 O CYS A 46 5.870 -4.586 -6.676 1.00 0.00 O ATOM 679 CB CYS A 46 5.688 -1.576 -5.705 1.00 0.00 C ATOM 680 SG CYS A 46 3.916 -1.451 -6.143 1.00 0.00 S ATOM 0 H CYS A 46 7.841 -3.466 -5.685 1.00 0.00 H new ATOM 0 HA CYS A 46 5.503 -2.785 -3.988 1.00 0.00 H new ATOM 0 HB2 CYS A 46 5.975 -0.736 -5.073 1.00 0.00 H new ATOM 0 HB3 CYS A 46 6.299 -1.520 -6.606 1.00 0.00 H new ATOM 0 HG CYS A 46 3.192 -1.868 -5.147 1.00 0.00 H new ATOM 686 N SER A 47 4.173 -4.503 -5.183 1.00 0.00 N ATOM 687 CA SER A 47 3.458 -5.626 -5.766 1.00 0.00 C ATOM 688 C SER A 47 1.967 -5.300 -5.871 1.00 0.00 C ATOM 689 O SER A 47 1.417 -4.612 -5.013 1.00 0.00 O ATOM 690 CB SER A 47 3.666 -6.899 -4.943 1.00 0.00 C ATOM 691 OG SER A 47 5.038 -7.105 -4.615 1.00 0.00 O ATOM 0 H SER A 47 3.720 -4.084 -4.370 1.00 0.00 H new ATOM 0 HA SER A 47 3.856 -5.803 -6.765 1.00 0.00 H new ATOM 0 HB2 SER A 47 3.079 -6.838 -4.026 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.294 -7.757 -5.503 1.00 0.00 H new ATOM 0 HG SER A 47 5.129 -7.926 -4.088 1.00 0.00 H new ATOM 697 N VAL A 48 1.356 -5.809 -6.931 1.00 0.00 N ATOM 698 CA VAL A 48 -0.060 -5.580 -7.159 1.00 0.00 C ATOM 699 C VAL A 48 -0.752 -6.917 -7.429 1.00 0.00 C ATOM 700 O VAL A 48 -0.409 -7.616 -8.382 1.00 0.00 O ATOM 701 CB VAL A 48 -0.251 -4.568 -8.292 1.00 0.00 C ATOM 702 CG1 VAL A 48 -1.732 -4.416 -8.647 1.00 0.00 C ATOM 703 CG2 VAL A 48 0.368 -3.217 -7.930 1.00 0.00 C ATOM 0 H VAL A 48 1.816 -6.379 -7.641 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.524 -5.147 -6.273 1.00 0.00 H new ATOM 0 HB VAL A 48 0.267 -4.948 -9.172 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -1.840 -3.692 -9.454 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -2.130 -5.379 -8.968 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -2.282 -4.069 -7.772 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.218 -2.516 -8.752 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -0.108 -2.828 -7.030 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.436 -3.342 -7.750 1.00 0.00 H new ATOM 713 N HIS A 49 -1.714 -7.234 -6.575 1.00 0.00 N ATOM 714 CA HIS A 49 -2.456 -8.475 -6.709 1.00 0.00 C ATOM 715 C HIS A 49 -3.937 -8.165 -6.940 1.00 0.00 C ATOM 716 O HIS A 49 -4.527 -7.365 -6.217 1.00 0.00 O ATOM 717 CB HIS A 49 -2.222 -9.382 -5.500 1.00 0.00 C ATOM 718 CG HIS A 49 -0.771 -9.514 -5.102 1.00 0.00 C ATOM 719 ND1 HIS A 49 0.044 -10.531 -5.567 1.00 0.00 N ATOM 720 CD2 HIS A 49 0.001 -8.746 -4.281 1.00 0.00 C ATOM 721 CE1 HIS A 49 1.250 -10.373 -5.042 1.00 0.00 C ATOM 722 NE2 HIS A 49 1.221 -9.266 -4.245 1.00 0.00 N ATOM 0 H HIS A 49 -1.997 -6.652 -5.787 1.00 0.00 H new ATOM 0 HA HIS A 49 -2.096 -9.026 -7.578 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -2.787 -8.993 -4.653 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -2.619 -10.373 -5.720 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -0.325 -7.864 -3.750 1.00 0.00 H new ATOM 0 HE1 HIS A 49 2.106 -11.009 -5.215 1.00 0.00 H new ATOM 0 HE2 HIS A 49 2.008 -8.899 -3.710 1.00 0.00 H new ATOM 730 N LYS A 50 -4.493 -8.815 -7.952 1.00 0.00 N ATOM 731 CA LYS A 50 -5.894 -8.619 -8.287 1.00 0.00 C ATOM 732 C LYS A 50 -6.715 -8.533 -6.999 1.00 0.00 C ATOM 733 O LYS A 50 -7.081 -9.556 -6.422 1.00 0.00 O ATOM 734 CB LYS A 50 -6.372 -9.709 -9.249 1.00 0.00 C ATOM 735 CG LYS A 50 -7.538 -9.211 -10.105 1.00 0.00 C ATOM 736 CD LYS A 50 -8.063 -10.323 -11.016 1.00 0.00 C ATOM 737 CE LYS A 50 -8.493 -9.761 -12.373 1.00 0.00 C ATOM 738 NZ LYS A 50 -7.323 -9.613 -13.267 1.00 0.00 N ATOM 0 H LYS A 50 -4.000 -9.477 -8.551 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.031 -7.676 -8.816 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -5.549 -10.017 -9.893 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -6.681 -10.588 -8.684 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -8.341 -8.855 -9.460 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.214 -8.363 -10.709 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -7.289 -11.077 -11.159 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.908 -10.820 -10.540 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -9.227 -10.424 -12.832 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -8.978 -8.794 -12.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -7.632 -9.231 -14.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -6.636 -8.963 -12.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -6.877 -10.541 -13.412 1.00 0.00 H new ATOM 752 N GLY A 51 -6.980 -7.302 -6.586 1.00 0.00 N ATOM 753 CA GLY A 51 -7.751 -7.069 -5.377 1.00 0.00 C ATOM 754 C GLY A 51 -7.060 -6.045 -4.474 1.00 0.00 C ATOM 755 O GLY A 51 -7.720 -5.216 -3.849 1.00 0.00 O ATOM 0 H GLY A 51 -6.675 -6.456 -7.067 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.747 -6.713 -5.640 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -7.879 -8.007 -4.837 1.00 0.00 H new ATOM 759 N PHE A 52 -5.738 -6.134 -4.436 1.00 0.00 N ATOM 760 CA PHE A 52 -4.950 -5.226 -3.620 1.00 0.00 C ATOM 761 C PHE A 52 -3.485 -5.226 -4.060 1.00 0.00 C ATOM 762 O PHE A 52 -3.062 -6.093 -4.823 1.00 0.00 O ATOM 763 CB PHE A 52 -5.037 -5.729 -2.178 1.00 0.00 C ATOM 764 CG PHE A 52 -4.503 -7.149 -1.981 1.00 0.00 C ATOM 765 CD1 PHE A 52 -5.262 -8.218 -2.344 1.00 0.00 C ATOM 766 CD2 PHE A 52 -3.269 -7.343 -1.443 1.00 0.00 C ATOM 767 CE1 PHE A 52 -4.767 -9.536 -2.161 1.00 0.00 C ATOM 768 CE2 PHE A 52 -2.774 -8.661 -1.260 1.00 0.00 C ATOM 769 CZ PHE A 52 -3.533 -9.730 -1.623 1.00 0.00 C ATOM 0 H PHE A 52 -5.193 -6.821 -4.957 1.00 0.00 H new ATOM 0 HA PHE A 52 -5.332 -4.210 -3.720 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -4.480 -5.050 -1.533 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.077 -5.695 -1.854 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -6.242 -8.064 -2.772 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.666 -6.495 -1.155 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.370 -10.384 -2.449 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -1.794 -8.815 -0.832 1.00 0.00 H new ATOM 0 HZ PHE A 52 -3.156 -10.732 -1.484 1.00 0.00 H new ATOM 779 N ALA A 53 -2.750 -4.243 -3.560 1.00 0.00 N ATOM 780 CA ALA A 53 -1.341 -4.119 -3.891 1.00 0.00 C ATOM 781 C ALA A 53 -0.561 -3.713 -2.639 1.00 0.00 C ATOM 782 O ALA A 53 -1.154 -3.367 -1.619 1.00 0.00 O ATOM 783 CB ALA A 53 -1.172 -3.116 -5.034 1.00 0.00 C ATOM 0 H ALA A 53 -3.104 -3.525 -2.928 1.00 0.00 H new ATOM 0 HA ALA A 53 -0.941 -5.074 -4.233 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.115 -3.023 -5.283 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.721 -3.465 -5.909 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -1.559 -2.145 -4.726 1.00 0.00 H new ATOM 789 N PHE A 54 0.758 -3.769 -2.759 1.00 0.00 N ATOM 790 CA PHE A 54 1.625 -3.411 -1.649 1.00 0.00 C ATOM 791 C PHE A 54 2.894 -2.717 -2.147 1.00 0.00 C ATOM 792 O PHE A 54 3.572 -3.221 -3.041 1.00 0.00 O ATOM 793 CB PHE A 54 2.013 -4.714 -0.947 1.00 0.00 C ATOM 794 CG PHE A 54 1.059 -5.122 0.177 1.00 0.00 C ATOM 795 CD1 PHE A 54 -0.070 -5.824 -0.110 1.00 0.00 C ATOM 796 CD2 PHE A 54 1.340 -4.784 1.464 1.00 0.00 C ATOM 797 CE1 PHE A 54 -0.955 -6.203 0.933 1.00 0.00 C ATOM 798 CE2 PHE A 54 0.455 -5.163 2.508 1.00 0.00 C ATOM 799 CZ PHE A 54 -0.674 -5.865 2.220 1.00 0.00 C ATOM 0 H PHE A 54 1.247 -4.057 -3.607 1.00 0.00 H new ATOM 0 HA PHE A 54 1.107 -2.725 -0.978 1.00 0.00 H new ATOM 0 HB2 PHE A 54 2.052 -5.515 -1.685 1.00 0.00 H new ATOM 0 HB3 PHE A 54 3.018 -4.609 -0.537 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -0.293 -6.093 -1.132 1.00 0.00 H new ATOM 0 HD2 PHE A 54 2.237 -4.227 1.692 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -1.852 -6.760 0.705 1.00 0.00 H new ATOM 0 HE2 PHE A 54 0.678 -4.894 3.530 1.00 0.00 H new ATOM 0 HZ PHE A 54 -1.347 -6.154 3.013 1.00 0.00 H new ATOM 809 N VAL A 55 3.178 -1.570 -1.547 1.00 0.00 N ATOM 810 CA VAL A 55 4.353 -0.801 -1.918 1.00 0.00 C ATOM 811 C VAL A 55 5.331 -0.773 -0.742 1.00 0.00 C ATOM 812 O VAL A 55 4.916 -0.761 0.415 1.00 0.00 O ATOM 813 CB VAL A 55 3.939 0.596 -2.386 1.00 0.00 C ATOM 814 CG1 VAL A 55 5.165 1.449 -2.716 1.00 0.00 C ATOM 815 CG2 VAL A 55 2.989 0.514 -3.582 1.00 0.00 C ATOM 0 H VAL A 55 2.614 -1.155 -0.806 1.00 0.00 H new ATOM 0 HA VAL A 55 4.867 -1.270 -2.757 1.00 0.00 H new ATOM 0 HB VAL A 55 3.406 1.080 -1.568 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.843 2.437 -3.046 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.789 1.549 -1.828 1.00 0.00 H new ATOM 0 HG13 VAL A 55 5.738 0.970 -3.510 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.710 1.520 -3.895 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.485 0.002 -4.406 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.094 -0.039 -3.298 1.00 0.00 H new ATOM 825 N GLN A 56 6.613 -0.762 -1.079 1.00 0.00 N ATOM 826 CA GLN A 56 7.653 -0.735 -0.066 1.00 0.00 C ATOM 827 C GLN A 56 8.617 0.424 -0.325 1.00 0.00 C ATOM 828 O GLN A 56 9.362 0.410 -1.305 1.00 0.00 O ATOM 829 CB GLN A 56 8.401 -2.069 -0.012 1.00 0.00 C ATOM 830 CG GLN A 56 9.492 -2.043 1.060 1.00 0.00 C ATOM 831 CD GLN A 56 9.107 -2.918 2.255 1.00 0.00 C ATOM 832 OE1 GLN A 56 8.227 -3.760 2.183 1.00 0.00 O ATOM 833 NE2 GLN A 56 9.814 -2.674 3.355 1.00 0.00 N ATOM 0 H GLN A 56 6.954 -0.771 -2.040 1.00 0.00 H new ATOM 0 HA GLN A 56 7.183 -0.580 0.905 1.00 0.00 H new ATOM 0 HB2 GLN A 56 7.699 -2.876 0.198 1.00 0.00 H new ATOM 0 HB3 GLN A 56 8.846 -2.280 -0.984 1.00 0.00 H new ATOM 0 HG2 GLN A 56 10.432 -2.394 0.635 1.00 0.00 H new ATOM 0 HG3 GLN A 56 9.656 -1.018 1.393 1.00 0.00 H new ATOM 0 HE21 GLN A 56 10.537 -1.955 3.347 1.00 0.00 H new ATOM 0 HE22 GLN A 56 9.633 -3.206 4.206 1.00 0.00 H new ATOM 842 N TYR A 57 8.573 1.400 0.569 1.00 0.00 N ATOM 843 CA TYR A 57 9.433 2.565 0.449 1.00 0.00 C ATOM 844 C TYR A 57 10.772 2.332 1.152 1.00 0.00 C ATOM 845 O TYR A 57 10.898 1.422 1.970 1.00 0.00 O ATOM 846 CB TYR A 57 8.695 3.708 1.149 1.00 0.00 C ATOM 847 CG TYR A 57 7.434 4.173 0.419 1.00 0.00 C ATOM 848 CD1 TYR A 57 6.276 3.427 0.499 1.00 0.00 C ATOM 849 CD2 TYR A 57 7.453 5.339 -0.319 1.00 0.00 C ATOM 850 CE1 TYR A 57 5.088 3.864 -0.187 1.00 0.00 C ATOM 851 CE2 TYR A 57 6.266 5.776 -1.006 1.00 0.00 C ATOM 852 CZ TYR A 57 5.142 5.017 -0.906 1.00 0.00 C ATOM 853 OH TYR A 57 4.020 5.430 -1.555 1.00 0.00 O ATOM 0 H TYR A 57 7.955 1.408 1.380 1.00 0.00 H new ATOM 0 HA TYR A 57 9.642 2.782 -0.599 1.00 0.00 H new ATOM 0 HB2 TYR A 57 8.423 3.389 2.155 1.00 0.00 H new ATOM 0 HB3 TYR A 57 9.374 4.554 1.255 1.00 0.00 H new ATOM 0 HD1 TYR A 57 6.261 2.515 1.077 1.00 0.00 H new ATOM 0 HD2 TYR A 57 8.359 5.924 -0.381 1.00 0.00 H new ATOM 0 HE1 TYR A 57 4.175 3.289 -0.132 1.00 0.00 H new ATOM 0 HE2 TYR A 57 6.268 6.686 -1.588 1.00 0.00 H new ATOM 0 HH TYR A 57 3.330 4.737 -1.488 1.00 0.00 H new ATOM 863 N VAL A 58 11.738 3.171 0.809 1.00 0.00 N ATOM 864 CA VAL A 58 13.063 3.069 1.396 1.00 0.00 C ATOM 865 C VAL A 58 12.954 3.206 2.916 1.00 0.00 C ATOM 866 O VAL A 58 13.671 2.536 3.657 1.00 0.00 O ATOM 867 CB VAL A 58 13.997 4.105 0.768 1.00 0.00 C ATOM 868 CG1 VAL A 58 15.124 4.483 1.730 1.00 0.00 C ATOM 869 CG2 VAL A 58 14.557 3.602 -0.564 1.00 0.00 C ATOM 0 H VAL A 58 11.629 3.925 0.131 1.00 0.00 H new ATOM 0 HA VAL A 58 13.498 2.092 1.187 1.00 0.00 H new ATOM 0 HB VAL A 58 13.414 5.004 0.568 1.00 0.00 H new ATOM 0 HG11 VAL A 58 15.773 5.221 1.258 1.00 0.00 H new ATOM 0 HG12 VAL A 58 14.699 4.904 2.641 1.00 0.00 H new ATOM 0 HG13 VAL A 58 15.705 3.594 1.977 1.00 0.00 H new ATOM 0 HG21 VAL A 58 15.218 4.357 -0.989 1.00 0.00 H new ATOM 0 HG22 VAL A 58 15.117 2.681 -0.399 1.00 0.00 H new ATOM 0 HG23 VAL A 58 13.736 3.408 -1.254 1.00 0.00 H new ATOM 879 N ASN A 59 12.050 4.080 3.336 1.00 0.00 N ATOM 880 CA ASN A 59 11.838 4.314 4.754 1.00 0.00 C ATOM 881 C ASN A 59 10.339 4.262 5.056 1.00 0.00 C ATOM 882 O ASN A 59 9.517 4.261 4.141 1.00 0.00 O ATOM 883 CB ASN A 59 12.356 5.693 5.168 1.00 0.00 C ATOM 884 CG ASN A 59 13.776 5.925 4.647 1.00 0.00 C ATOM 885 OD1 ASN A 59 14.028 6.783 3.817 1.00 0.00 O ATOM 886 ND2 ASN A 59 14.686 5.114 5.178 1.00 0.00 N ATOM 0 H ASN A 59 11.456 4.634 2.719 1.00 0.00 H new ATOM 0 HA ASN A 59 12.377 3.545 5.307 1.00 0.00 H new ATOM 0 HB2 ASN A 59 11.692 6.466 4.781 1.00 0.00 H new ATOM 0 HB3 ASN A 59 12.345 5.778 6.255 1.00 0.00 H new ATOM 0 HD21 ASN A 59 15.663 5.189 4.895 1.00 0.00 H new ATOM 0 HD22 ASN A 59 14.407 4.417 5.869 1.00 0.00 H new ATOM 893 N GLU A 60 10.029 4.221 6.344 1.00 0.00 N ATOM 894 CA GLU A 60 8.643 4.169 6.778 1.00 0.00 C ATOM 895 C GLU A 60 7.972 5.528 6.575 1.00 0.00 C ATOM 896 O GLU A 60 6.920 5.617 5.943 1.00 0.00 O ATOM 897 CB GLU A 60 8.542 3.720 8.237 1.00 0.00 C ATOM 898 CG GLU A 60 7.274 2.898 8.472 1.00 0.00 C ATOM 899 CD GLU A 60 6.059 3.807 8.670 1.00 0.00 C ATOM 900 OE1 GLU A 60 5.713 4.511 7.697 1.00 0.00 O ATOM 901 OE2 GLU A 60 5.505 3.778 9.790 1.00 0.00 O ATOM 0 H GLU A 60 10.713 4.223 7.100 1.00 0.00 H new ATOM 0 HA GLU A 60 8.119 3.433 6.169 1.00 0.00 H new ATOM 0 HB2 GLU A 60 9.418 3.127 8.500 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.540 4.593 8.890 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.103 2.236 7.623 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.405 2.264 9.349 1.00 0.00 H new ATOM 908 N ARG A 61 8.607 6.554 7.122 1.00 0.00 N ATOM 909 CA ARG A 61 8.085 7.905 7.008 1.00 0.00 C ATOM 910 C ARG A 61 7.462 8.119 5.627 1.00 0.00 C ATOM 911 O ARG A 61 6.359 8.652 5.515 1.00 0.00 O ATOM 912 CB ARG A 61 9.187 8.943 7.229 1.00 0.00 C ATOM 913 CG ARG A 61 8.625 10.364 7.160 1.00 0.00 C ATOM 914 CD ARG A 61 9.716 11.368 6.784 1.00 0.00 C ATOM 915 NE ARG A 61 9.759 11.543 5.315 1.00 0.00 N ATOM 916 CZ ARG A 61 10.611 12.359 4.680 1.00 0.00 C ATOM 917 NH1 ARG A 61 11.496 13.081 5.381 1.00 0.00 N ATOM 918 NH2 ARG A 61 10.578 12.454 3.344 1.00 0.00 N ATOM 0 H ARG A 61 9.479 6.477 7.646 1.00 0.00 H new ATOM 0 HA ARG A 61 7.324 8.031 7.778 1.00 0.00 H new ATOM 0 HB2 ARG A 61 9.655 8.780 8.200 1.00 0.00 H new ATOM 0 HB3 ARG A 61 9.965 8.819 6.475 1.00 0.00 H new ATOM 0 HG2 ARG A 61 7.820 10.405 6.427 1.00 0.00 H new ATOM 0 HG3 ARG A 61 8.193 10.635 8.123 1.00 0.00 H new ATOM 0 HD2 ARG A 61 9.522 12.326 7.267 1.00 0.00 H new ATOM 0 HD3 ARG A 61 10.683 11.019 7.145 1.00 0.00 H new ATOM 0 HE ARG A 61 9.098 11.009 4.751 1.00 0.00 H new ATOM 0 HH11 ARG A 61 11.521 13.009 6.398 1.00 0.00 H new ATOM 0 HH12 ARG A 61 12.145 13.702 4.897 1.00 0.00 H new ATOM 0 HH21 ARG A 61 9.904 11.905 2.810 1.00 0.00 H new ATOM 0 HH22 ARG A 61 11.227 13.075 2.861 1.00 0.00 H new ATOM 932 N ASN A 62 8.196 7.693 4.610 1.00 0.00 N ATOM 933 CA ASN A 62 7.730 7.831 3.241 1.00 0.00 C ATOM 934 C ASN A 62 6.412 7.070 3.076 1.00 0.00 C ATOM 935 O ASN A 62 5.428 7.625 2.590 1.00 0.00 O ATOM 936 CB ASN A 62 8.740 7.246 2.252 1.00 0.00 C ATOM 937 CG ASN A 62 9.988 8.127 2.157 1.00 0.00 C ATOM 938 OD1 ASN A 62 11.055 7.790 2.642 1.00 0.00 O ATOM 939 ND2 ASN A 62 9.793 9.271 1.507 1.00 0.00 N ATOM 0 H ASN A 62 9.111 7.252 4.707 1.00 0.00 H new ATOM 0 HA ASN A 62 7.599 8.894 3.036 1.00 0.00 H new ATOM 0 HB2 ASN A 62 9.023 6.241 2.567 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.280 7.154 1.268 1.00 0.00 H new ATOM 0 HD21 ASN A 62 10.564 9.929 1.390 1.00 0.00 H new ATOM 0 HD22 ASN A 62 8.873 9.490 1.126 1.00 0.00 H new ATOM 946 N ALA A 63 6.437 5.812 3.489 1.00 0.00 N ATOM 947 CA ALA A 63 5.257 4.969 3.394 1.00 0.00 C ATOM 948 C ALA A 63 4.055 5.714 3.978 1.00 0.00 C ATOM 949 O ALA A 63 3.072 5.958 3.280 1.00 0.00 O ATOM 950 CB ALA A 63 5.520 3.640 4.103 1.00 0.00 C ATOM 0 H ALA A 63 7.256 5.355 3.890 1.00 0.00 H new ATOM 0 HA ALA A 63 5.030 4.743 2.352 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.635 3.008 4.032 1.00 0.00 H new ATOM 0 HB2 ALA A 63 6.364 3.137 3.631 1.00 0.00 H new ATOM 0 HB3 ALA A 63 5.749 3.826 5.152 1.00 0.00 H new ATOM 956 N ARG A 64 4.174 6.055 5.253 1.00 0.00 N ATOM 957 CA ARG A 64 3.109 6.767 5.939 1.00 0.00 C ATOM 958 C ARG A 64 2.635 7.953 5.097 1.00 0.00 C ATOM 959 O ARG A 64 1.452 8.289 5.102 1.00 0.00 O ATOM 960 CB ARG A 64 3.577 7.275 7.305 1.00 0.00 C ATOM 961 CG ARG A 64 2.552 8.233 7.914 1.00 0.00 C ATOM 962 CD ARG A 64 3.025 8.749 9.275 1.00 0.00 C ATOM 963 NE ARG A 64 3.195 10.218 9.228 1.00 0.00 N ATOM 964 CZ ARG A 64 3.179 11.012 10.308 1.00 0.00 C ATOM 965 NH1 ARG A 64 3.000 10.482 11.525 1.00 0.00 N ATOM 966 NH2 ARG A 64 3.342 12.334 10.170 1.00 0.00 N ATOM 0 H ARG A 64 4.991 5.852 5.829 1.00 0.00 H new ATOM 0 HA ARG A 64 2.285 6.069 6.086 1.00 0.00 H new ATOM 0 HB2 ARG A 64 3.735 6.431 7.976 1.00 0.00 H new ATOM 0 HB3 ARG A 64 4.536 7.782 7.199 1.00 0.00 H new ATOM 0 HG2 ARG A 64 2.388 9.073 7.239 1.00 0.00 H new ATOM 0 HG3 ARG A 64 1.595 7.724 8.027 1.00 0.00 H new ATOM 0 HD2 ARG A 64 2.301 8.483 10.046 1.00 0.00 H new ATOM 0 HD3 ARG A 64 3.968 8.274 9.546 1.00 0.00 H new ATOM 0 HE ARG A 64 3.333 10.654 8.316 1.00 0.00 H new ATOM 0 HH11 ARG A 64 2.876 9.475 11.629 1.00 0.00 H new ATOM 0 HH12 ARG A 64 2.988 11.085 12.347 1.00 0.00 H new ATOM 0 HH21 ARG A 64 3.478 12.737 9.243 1.00 0.00 H new ATOM 0 HH22 ARG A 64 3.330 12.938 10.992 1.00 0.00 H new ATOM 980 N ALA A 65 3.583 8.555 4.394 1.00 0.00 N ATOM 981 CA ALA A 65 3.277 9.696 3.548 1.00 0.00 C ATOM 982 C ALA A 65 2.144 9.325 2.589 1.00 0.00 C ATOM 983 O ALA A 65 1.063 9.910 2.644 1.00 0.00 O ATOM 984 CB ALA A 65 4.542 10.140 2.812 1.00 0.00 C ATOM 0 H ALA A 65 4.564 8.274 4.393 1.00 0.00 H new ATOM 0 HA ALA A 65 2.937 10.539 4.149 1.00 0.00 H new ATOM 0 HB1 ALA A 65 4.312 10.996 2.177 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.305 10.421 3.538 1.00 0.00 H new ATOM 0 HB3 ALA A 65 4.911 9.320 2.196 1.00 0.00 H new ATOM 990 N ALA A 66 2.430 8.356 1.732 1.00 0.00 N ATOM 991 CA ALA A 66 1.449 7.900 0.763 1.00 0.00 C ATOM 992 C ALA A 66 0.232 7.339 1.500 1.00 0.00 C ATOM 993 O ALA A 66 -0.902 7.720 1.214 1.00 0.00 O ATOM 994 CB ALA A 66 2.091 6.872 -0.170 1.00 0.00 C ATOM 0 H ALA A 66 3.328 7.874 1.689 1.00 0.00 H new ATOM 0 HA ALA A 66 1.106 8.730 0.146 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.354 6.530 -0.897 1.00 0.00 H new ATOM 0 HB2 ALA A 66 2.931 7.330 -0.693 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.446 6.023 0.414 1.00 0.00 H new ATOM 1000 N VAL A 67 0.509 6.441 2.435 1.00 0.00 N ATOM 1001 CA VAL A 67 -0.550 5.823 3.216 1.00 0.00 C ATOM 1002 C VAL A 67 -1.552 6.895 3.648 1.00 0.00 C ATOM 1003 O VAL A 67 -2.739 6.614 3.801 1.00 0.00 O ATOM 1004 CB VAL A 67 0.051 5.055 4.395 1.00 0.00 C ATOM 1005 CG1 VAL A 67 -1.046 4.534 5.326 1.00 0.00 C ATOM 1006 CG2 VAL A 67 0.945 3.913 3.908 1.00 0.00 C ATOM 0 H VAL A 67 1.451 6.127 2.669 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.094 5.095 2.614 1.00 0.00 H new ATOM 0 HB VAL A 67 0.672 5.747 4.963 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -0.592 3.992 6.156 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -1.623 5.373 5.714 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -1.705 3.865 4.773 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.359 3.384 4.766 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.356 3.222 3.305 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.758 4.319 3.305 1.00 0.00 H new ATOM 1016 N ALA A 68 -1.036 8.102 3.832 1.00 0.00 N ATOM 1017 CA ALA A 68 -1.871 9.217 4.244 1.00 0.00 C ATOM 1018 C ALA A 68 -2.339 9.983 3.005 1.00 0.00 C ATOM 1019 O ALA A 68 -3.455 10.498 2.973 1.00 0.00 O ATOM 1020 CB ALA A 68 -1.093 10.105 5.218 1.00 0.00 C ATOM 0 H ALA A 68 -0.051 8.332 3.703 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.759 8.859 4.766 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.719 10.942 5.527 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -0.808 9.522 6.094 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -0.197 10.485 4.728 1.00 0.00 H new ATOM 1026 N GLY A 69 -1.461 10.034 2.013 1.00 0.00 N ATOM 1027 CA GLY A 69 -1.770 10.728 0.775 1.00 0.00 C ATOM 1028 C GLY A 69 -2.622 9.853 -0.146 1.00 0.00 C ATOM 1029 O GLY A 69 -3.818 10.091 -0.303 1.00 0.00 O ATOM 0 H GLY A 69 -0.536 9.606 2.042 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -2.301 11.654 0.996 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -0.845 11.004 0.268 1.00 0.00 H new ATOM 1033 N GLU A 70 -1.971 8.858 -0.732 1.00 0.00 N ATOM 1034 CA GLU A 70 -2.654 7.946 -1.634 1.00 0.00 C ATOM 1035 C GLU A 70 -4.048 7.615 -1.099 1.00 0.00 C ATOM 1036 O GLU A 70 -5.052 8.057 -1.656 1.00 0.00 O ATOM 1037 CB GLU A 70 -1.833 6.673 -1.851 1.00 0.00 C ATOM 1038 CG GLU A 70 -1.213 6.651 -3.249 1.00 0.00 C ATOM 1039 CD GLU A 70 -2.206 6.111 -4.281 1.00 0.00 C ATOM 1040 OE1 GLU A 70 -2.540 4.912 -4.173 1.00 0.00 O ATOM 1041 OE2 GLU A 70 -2.608 6.910 -5.154 1.00 0.00 O ATOM 0 H GLU A 70 -0.978 8.664 -0.600 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.765 8.437 -2.601 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -1.046 6.611 -1.099 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -2.470 5.798 -1.718 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.903 7.658 -3.529 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.316 6.032 -3.243 1.00 0.00 H new ATOM 1048 N ASP A 71 -4.066 6.840 -0.024 1.00 0.00 N ATOM 1049 CA ASP A 71 -5.321 6.444 0.592 1.00 0.00 C ATOM 1050 C ASP A 71 -6.317 7.602 0.500 1.00 0.00 C ATOM 1051 O ASP A 71 -6.125 8.643 1.128 1.00 0.00 O ATOM 1052 CB ASP A 71 -5.126 6.106 2.071 1.00 0.00 C ATOM 1053 CG ASP A 71 -6.415 6.015 2.890 1.00 0.00 C ATOM 1054 OD1 ASP A 71 -6.997 4.909 2.910 1.00 0.00 O ATOM 1055 OD2 ASP A 71 -6.789 7.053 3.477 1.00 0.00 O ATOM 0 H ASP A 71 -3.232 6.476 0.436 1.00 0.00 H new ATOM 0 HA ASP A 71 -5.691 5.564 0.066 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -4.599 5.155 2.144 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.482 6.862 2.519 1.00 0.00 H new ATOM 1060 N GLY A 72 -7.359 7.383 -0.288 1.00 0.00 N ATOM 1061 CA GLY A 72 -8.386 8.396 -0.470 1.00 0.00 C ATOM 1062 C GLY A 72 -8.283 9.037 -1.855 1.00 0.00 C ATOM 1063 O GLY A 72 -8.749 10.157 -2.061 1.00 0.00 O ATOM 0 H GLY A 72 -7.515 6.519 -0.808 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -9.371 7.947 -0.345 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -8.286 9.163 0.298 1.00 0.00 H new ATOM 1067 N ARG A 73 -7.670 8.299 -2.770 1.00 0.00 N ATOM 1068 CA ARG A 73 -7.501 8.782 -4.130 1.00 0.00 C ATOM 1069 C ARG A 73 -8.469 8.064 -5.072 1.00 0.00 C ATOM 1070 O ARG A 73 -8.617 6.845 -5.005 1.00 0.00 O ATOM 1071 CB ARG A 73 -6.067 8.562 -4.618 1.00 0.00 C ATOM 1072 CG ARG A 73 -5.579 9.755 -5.441 1.00 0.00 C ATOM 1073 CD ARG A 73 -4.358 9.378 -6.282 1.00 0.00 C ATOM 1074 NE ARG A 73 -3.728 10.598 -6.835 1.00 0.00 N ATOM 1075 CZ ARG A 73 -2.933 10.610 -7.914 1.00 0.00 C ATOM 1076 NH1 ARG A 73 -2.666 9.468 -8.562 1.00 0.00 N ATOM 1077 NH2 ARG A 73 -2.406 11.764 -8.345 1.00 0.00 N ATOM 0 H ARG A 73 -7.285 7.371 -2.596 1.00 0.00 H new ATOM 0 HA ARG A 73 -7.713 9.851 -4.131 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -5.407 8.411 -3.763 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -6.019 7.656 -5.221 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -6.380 10.104 -6.093 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -5.326 10.581 -4.776 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -3.639 8.833 -5.670 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -4.656 8.713 -7.093 1.00 0.00 H new ATOM 0 HE ARG A 73 -3.910 11.485 -6.366 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -3.068 8.590 -8.234 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -2.061 9.477 -9.383 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -2.610 12.633 -7.852 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -1.801 11.773 -9.166 1.00 0.00 H new ATOM 1091 N MET A 74 -9.103 8.851 -5.929 1.00 0.00 N ATOM 1092 CA MET A 74 -10.053 8.306 -6.884 1.00 0.00 C ATOM 1093 C MET A 74 -9.346 7.858 -8.165 1.00 0.00 C ATOM 1094 O MET A 74 -9.219 8.634 -9.112 1.00 0.00 O ATOM 1095 CB MET A 74 -11.102 9.367 -7.223 1.00 0.00 C ATOM 1096 CG MET A 74 -12.517 8.804 -7.081 1.00 0.00 C ATOM 1097 SD MET A 74 -13.718 10.100 -7.332 1.00 0.00 S ATOM 1098 CE MET A 74 -15.225 9.185 -7.051 1.00 0.00 C ATOM 0 H MET A 74 -8.977 9.862 -5.982 1.00 0.00 H new ATOM 0 HA MET A 74 -10.535 7.438 -6.435 1.00 0.00 H new ATOM 0 HB2 MET A 74 -10.981 10.227 -6.564 1.00 0.00 H new ATOM 0 HB3 MET A 74 -10.949 9.722 -8.242 1.00 0.00 H new ATOM 0 HG2 MET A 74 -12.674 8.006 -7.807 1.00 0.00 H new ATOM 0 HG3 MET A 74 -12.645 8.365 -6.092 1.00 0.00 H new ATOM 0 HE1 MET A 74 -16.080 9.853 -7.152 1.00 0.00 H new ATOM 0 HE2 MET A 74 -15.304 8.381 -7.783 1.00 0.00 H new ATOM 0 HE3 MET A 74 -15.212 8.761 -6.047 1.00 0.00 H new ATOM 1108 N ILE A 75 -8.905 6.609 -8.154 1.00 0.00 N ATOM 1109 CA ILE A 75 -8.215 6.049 -9.303 1.00 0.00 C ATOM 1110 C ILE A 75 -9.198 5.213 -10.125 1.00 0.00 C ATOM 1111 O ILE A 75 -9.803 4.275 -9.609 1.00 0.00 O ATOM 1112 CB ILE A 75 -6.973 5.275 -8.857 1.00 0.00 C ATOM 1113 CG1 ILE A 75 -5.849 5.401 -9.888 1.00 0.00 C ATOM 1114 CG2 ILE A 75 -7.315 3.814 -8.558 1.00 0.00 C ATOM 1115 CD1 ILE A 75 -4.809 6.431 -9.442 1.00 0.00 C ATOM 0 H ILE A 75 -9.012 5.969 -7.367 1.00 0.00 H new ATOM 0 HA ILE A 75 -7.850 6.844 -9.953 1.00 0.00 H new ATOM 0 HB ILE A 75 -6.610 5.717 -7.929 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -5.370 4.432 -10.029 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -6.266 5.694 -10.852 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -6.415 3.287 -8.243 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -8.058 3.770 -7.762 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -7.716 3.343 -9.456 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -4.021 6.501 -10.192 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -5.287 7.404 -9.326 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -4.377 6.123 -8.490 1.00 0.00 H new ATOM 1127 N ALA A 76 -9.325 5.583 -11.391 1.00 0.00 N ATOM 1128 CA ALA A 76 -10.225 4.879 -12.290 1.00 0.00 C ATOM 1129 C ALA A 76 -11.671 5.222 -11.928 1.00 0.00 C ATOM 1130 O ALA A 76 -12.606 4.655 -12.492 1.00 0.00 O ATOM 1131 CB ALA A 76 -9.945 3.377 -12.217 1.00 0.00 C ATOM 0 H ALA A 76 -8.820 6.361 -11.816 1.00 0.00 H new ATOM 0 HA ALA A 76 -10.061 5.191 -13.321 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -10.619 2.848 -12.891 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.913 3.184 -12.511 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -10.103 3.027 -11.197 1.00 0.00 H new ATOM 1137 N GLY A 77 -11.810 6.146 -10.990 1.00 0.00 N ATOM 1138 CA GLY A 77 -13.127 6.571 -10.546 1.00 0.00 C ATOM 1139 C GLY A 77 -13.505 5.897 -9.226 1.00 0.00 C ATOM 1140 O GLY A 77 -14.602 6.105 -8.710 1.00 0.00 O ATOM 0 H GLY A 77 -11.032 6.613 -10.524 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -13.141 7.654 -10.422 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -13.868 6.327 -11.308 1.00 0.00 H new ATOM 1144 N GLN A 78 -12.575 5.102 -8.717 1.00 0.00 N ATOM 1145 CA GLN A 78 -12.796 4.396 -7.466 1.00 0.00 C ATOM 1146 C GLN A 78 -11.729 4.785 -6.441 1.00 0.00 C ATOM 1147 O GLN A 78 -10.566 4.976 -6.792 1.00 0.00 O ATOM 1148 CB GLN A 78 -12.818 2.882 -7.688 1.00 0.00 C ATOM 1149 CG GLN A 78 -13.938 2.486 -8.652 1.00 0.00 C ATOM 1150 CD GLN A 78 -13.400 1.610 -9.786 1.00 0.00 C ATOM 1151 OE1 GLN A 78 -13.440 1.966 -10.952 1.00 0.00 O ATOM 1152 NE2 GLN A 78 -12.898 0.448 -9.380 1.00 0.00 N ATOM 0 H GLN A 78 -11.667 4.931 -9.148 1.00 0.00 H new ATOM 0 HA GLN A 78 -13.771 4.687 -7.074 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -11.858 2.555 -8.087 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -12.957 2.373 -6.734 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -14.716 1.949 -8.110 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -14.399 3.382 -9.067 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -12.896 0.212 -8.388 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -12.515 -0.208 -10.061 1.00 0.00 H new ATOM 1161 N VAL A 79 -12.164 4.889 -5.193 1.00 0.00 N ATOM 1162 CA VAL A 79 -11.260 5.252 -4.115 1.00 0.00 C ATOM 1163 C VAL A 79 -10.364 4.057 -3.783 1.00 0.00 C ATOM 1164 O VAL A 79 -10.794 2.908 -3.878 1.00 0.00 O ATOM 1165 CB VAL A 79 -12.059 5.753 -2.910 1.00 0.00 C ATOM 1166 CG1 VAL A 79 -11.128 6.151 -1.762 1.00 0.00 C ATOM 1167 CG2 VAL A 79 -12.972 6.916 -3.303 1.00 0.00 C ATOM 0 H VAL A 79 -13.129 4.728 -4.905 1.00 0.00 H new ATOM 0 HA VAL A 79 -10.609 6.071 -4.421 1.00 0.00 H new ATOM 0 HB VAL A 79 -12.689 4.935 -2.562 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -11.721 6.503 -0.918 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -10.538 5.287 -1.455 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -10.461 6.946 -2.094 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -13.529 7.253 -2.429 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -12.369 7.738 -3.688 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -13.670 6.587 -4.073 1.00 0.00 H new ATOM 1177 N LEU A 80 -9.134 4.368 -3.400 1.00 0.00 N ATOM 1178 CA LEU A 80 -8.174 3.334 -3.054 1.00 0.00 C ATOM 1179 C LEU A 80 -8.024 3.273 -1.532 1.00 0.00 C ATOM 1180 O LEU A 80 -7.679 4.269 -0.898 1.00 0.00 O ATOM 1181 CB LEU A 80 -6.854 3.560 -3.793 1.00 0.00 C ATOM 1182 CG LEU A 80 -6.941 3.614 -5.320 1.00 0.00 C ATOM 1183 CD1 LEU A 80 -5.562 3.847 -5.940 1.00 0.00 C ATOM 1184 CD2 LEU A 80 -7.615 2.359 -5.876 1.00 0.00 C ATOM 0 H LEU A 80 -8.780 5.322 -3.322 1.00 0.00 H new ATOM 0 HA LEU A 80 -8.532 2.357 -3.379 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.419 4.495 -3.440 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.164 2.763 -3.516 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.566 4.463 -5.596 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.652 3.881 -7.026 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -5.156 4.792 -5.580 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -4.894 3.034 -5.657 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -7.664 2.423 -6.963 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.038 1.479 -5.590 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.624 2.278 -5.472 1.00 0.00 H new ATOM 1196 N ASP A 81 -8.290 2.094 -0.990 1.00 0.00 N ATOM 1197 CA ASP A 81 -8.189 1.889 0.445 1.00 0.00 C ATOM 1198 C ASP A 81 -6.778 1.408 0.789 1.00 0.00 C ATOM 1199 O ASP A 81 -6.464 0.229 0.626 1.00 0.00 O ATOM 1200 CB ASP A 81 -9.181 0.826 0.921 1.00 0.00 C ATOM 1201 CG ASP A 81 -10.283 1.340 1.849 1.00 0.00 C ATOM 1202 OD1 ASP A 81 -10.000 2.311 2.584 1.00 0.00 O ATOM 1203 OD2 ASP A 81 -11.385 0.751 1.802 1.00 0.00 O ATOM 0 H ASP A 81 -8.576 1.270 -1.519 1.00 0.00 H new ATOM 0 HA ASP A 81 -8.412 2.836 0.937 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -9.646 0.368 0.048 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -8.629 0.041 1.437 1.00 0.00 H new ATOM 1208 N ILE A 82 -5.966 2.343 1.257 1.00 0.00 N ATOM 1209 CA ILE A 82 -4.596 2.029 1.625 1.00 0.00 C ATOM 1210 C ILE A 82 -4.406 2.273 3.124 1.00 0.00 C ATOM 1211 O ILE A 82 -5.115 3.083 3.719 1.00 0.00 O ATOM 1212 CB ILE A 82 -3.613 2.805 0.747 1.00 0.00 C ATOM 1213 CG1 ILE A 82 -4.141 2.936 -0.683 1.00 0.00 C ATOM 1214 CG2 ILE A 82 -2.221 2.171 0.788 1.00 0.00 C ATOM 1215 CD1 ILE A 82 -3.041 3.414 -1.633 1.00 0.00 C ATOM 0 H ILE A 82 -6.230 3.319 1.390 1.00 0.00 H new ATOM 0 HA ILE A 82 -4.386 0.975 1.443 1.00 0.00 H new ATOM 0 HB ILE A 82 -3.519 3.814 1.150 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -4.526 1.974 -1.022 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -4.974 3.638 -0.704 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.542 2.743 0.155 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -1.850 2.173 1.813 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -2.278 1.145 0.425 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -3.443 3.498 -2.642 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.675 4.387 -1.306 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.220 2.697 -1.629 1.00 0.00 H new ATOM 1227 N ASN A 83 -3.446 1.558 3.691 1.00 0.00 N ATOM 1228 CA ASN A 83 -3.154 1.686 5.108 1.00 0.00 C ATOM 1229 C ASN A 83 -1.737 1.177 5.381 1.00 0.00 C ATOM 1230 O ASN A 83 -1.197 0.389 4.607 1.00 0.00 O ATOM 1231 CB ASN A 83 -4.125 0.855 5.948 1.00 0.00 C ATOM 1232 CG ASN A 83 -3.594 0.662 7.370 1.00 0.00 C ATOM 1233 OD1 ASN A 83 -3.607 1.563 8.193 1.00 0.00 O ATOM 1234 ND2 ASN A 83 -3.128 -0.560 7.613 1.00 0.00 N ATOM 0 H ASN A 83 -2.860 0.887 3.194 1.00 0.00 H new ATOM 0 HA ASN A 83 -3.252 2.737 5.378 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -5.096 1.349 5.983 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -4.278 -0.117 5.478 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -2.752 -0.789 8.533 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -3.147 -1.268 6.879 1.00 0.00 H new ATOM 1241 N LEU A 84 -1.176 1.649 6.485 1.00 0.00 N ATOM 1242 CA LEU A 84 0.168 1.251 6.870 1.00 0.00 C ATOM 1243 C LEU A 84 0.131 -0.166 7.445 1.00 0.00 C ATOM 1244 O LEU A 84 -0.710 -0.476 8.287 1.00 0.00 O ATOM 1245 CB LEU A 84 0.781 2.284 7.818 1.00 0.00 C ATOM 1246 CG LEU A 84 2.011 3.028 7.294 1.00 0.00 C ATOM 1247 CD1 LEU A 84 2.433 4.138 8.259 1.00 0.00 C ATOM 1248 CD2 LEU A 84 3.156 2.057 7.001 1.00 0.00 C ATOM 0 H LEU A 84 -1.627 2.303 7.125 1.00 0.00 H new ATOM 0 HA LEU A 84 0.822 1.224 5.998 1.00 0.00 H new ATOM 0 HB2 LEU A 84 0.015 3.019 8.067 1.00 0.00 H new ATOM 0 HB3 LEU A 84 1.053 1.780 8.745 1.00 0.00 H new ATOM 0 HG LEU A 84 1.745 3.505 6.351 1.00 0.00 H new ATOM 0 HD11 LEU A 84 3.309 4.651 7.863 1.00 0.00 H new ATOM 0 HD12 LEU A 84 1.616 4.851 8.373 1.00 0.00 H new ATOM 0 HD13 LEU A 84 2.674 3.704 9.229 1.00 0.00 H new ATOM 0 HD21 LEU A 84 4.018 2.612 6.630 1.00 0.00 H new ATOM 0 HD22 LEU A 84 3.430 1.531 7.915 1.00 0.00 H new ATOM 0 HD23 LEU A 84 2.838 1.336 6.249 1.00 0.00 H new ATOM 1260 N ALA A 85 1.052 -0.989 6.967 1.00 0.00 N ATOM 1261 CA ALA A 85 1.136 -2.366 7.423 1.00 0.00 C ATOM 1262 C ALA A 85 1.470 -2.385 8.916 1.00 0.00 C ATOM 1263 O ALA A 85 2.627 -2.560 9.294 1.00 0.00 O ATOM 1264 CB ALA A 85 2.169 -3.120 6.584 1.00 0.00 C ATOM 0 H ALA A 85 1.747 -0.729 6.268 1.00 0.00 H new ATOM 0 HA ALA A 85 0.179 -2.872 7.293 1.00 0.00 H new ATOM 0 HB1 ALA A 85 2.232 -4.153 6.926 1.00 0.00 H new ATOM 0 HB2 ALA A 85 1.869 -3.103 5.536 1.00 0.00 H new ATOM 0 HB3 ALA A 85 3.143 -2.643 6.691 1.00 0.00 H new ATOM 1270 N ALA A 86 0.436 -2.202 9.724 1.00 0.00 N ATOM 1271 CA ALA A 86 0.605 -2.196 11.167 1.00 0.00 C ATOM 1272 C ALA A 86 -0.770 -2.185 11.837 1.00 0.00 C ATOM 1273 O ALA A 86 -1.052 -3.018 12.697 1.00 0.00 O ATOM 1274 CB ALA A 86 1.463 -0.996 11.575 1.00 0.00 C ATOM 0 H ALA A 86 -0.522 -2.057 9.406 1.00 0.00 H new ATOM 0 HA ALA A 86 1.125 -3.096 11.497 1.00 0.00 H new ATOM 0 HB1 ALA A 86 1.590 -0.991 12.658 1.00 0.00 H new ATOM 0 HB2 ALA A 86 2.439 -1.067 11.095 1.00 0.00 H new ATOM 0 HB3 ALA A 86 0.971 -0.074 11.263 1.00 0.00 H new ATOM 1280 N GLU A 87 -1.589 -1.231 11.419 1.00 0.00 N ATOM 1281 CA GLU A 87 -2.928 -1.101 11.968 1.00 0.00 C ATOM 1282 C GLU A 87 -3.975 -1.399 10.893 1.00 0.00 C ATOM 1283 O GLU A 87 -4.201 -0.584 10.000 1.00 0.00 O ATOM 1284 CB GLU A 87 -3.141 0.290 12.570 1.00 0.00 C ATOM 1285 CG GLU A 87 -2.943 0.267 14.087 1.00 0.00 C ATOM 1286 CD GLU A 87 -3.872 1.269 14.776 1.00 0.00 C ATOM 1287 OE1 GLU A 87 -3.512 2.467 14.779 1.00 0.00 O ATOM 1288 OE2 GLU A 87 -4.920 0.816 15.284 1.00 0.00 O ATOM 0 H GLU A 87 -1.351 -0.541 10.707 1.00 0.00 H new ATOM 0 HA GLU A 87 -3.042 -1.830 12.770 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -2.443 0.996 12.119 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -4.146 0.641 12.336 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -3.137 -0.736 14.468 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -1.906 0.503 14.326 1.00 0.00 H new ATOM 1295 N PRO A 88 -4.601 -2.600 11.017 1.00 0.00 N ATOM 1296 CA PRO A 88 -5.618 -3.015 10.067 1.00 0.00 C ATOM 1297 C PRO A 88 -6.931 -2.267 10.306 1.00 0.00 C ATOM 1298 O PRO A 88 -7.347 -2.087 11.449 1.00 0.00 O ATOM 1299 CB PRO A 88 -5.747 -4.517 10.260 1.00 0.00 C ATOM 1300 CG PRO A 88 -5.141 -4.816 11.622 1.00 0.00 C ATOM 1301 CD PRO A 88 -4.358 -3.590 12.062 1.00 0.00 C ATOM 0 HA PRO A 88 -5.351 -2.780 9.037 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -6.791 -4.828 10.220 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -5.223 -5.058 9.472 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -5.923 -5.050 12.345 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -4.488 -5.687 11.566 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -4.697 -3.231 13.034 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -3.295 -3.812 12.157 1.00 0.00 H new ATOM 1309 N LYS A 89 -7.546 -1.850 9.209 1.00 0.00 N ATOM 1310 CA LYS A 89 -8.803 -1.126 9.285 1.00 0.00 C ATOM 1311 C LYS A 89 -9.782 -1.902 10.168 1.00 0.00 C ATOM 1312 O LYS A 89 -10.723 -1.327 10.712 1.00 0.00 O ATOM 1313 CB LYS A 89 -9.339 -0.833 7.882 1.00 0.00 C ATOM 1314 CG LYS A 89 -9.529 0.670 7.670 1.00 0.00 C ATOM 1315 CD LYS A 89 -10.803 1.164 8.359 1.00 0.00 C ATOM 1316 CE LYS A 89 -11.990 1.149 7.393 1.00 0.00 C ATOM 1317 NZ LYS A 89 -13.267 1.166 8.141 1.00 0.00 N ATOM 0 H LYS A 89 -7.197 -2.000 8.262 1.00 0.00 H new ATOM 0 HA LYS A 89 -8.654 -0.153 9.753 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -8.648 -1.225 7.136 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -10.289 -1.347 7.737 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -8.667 1.208 8.063 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -9.581 0.887 6.603 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -11.023 0.533 9.221 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -10.648 2.175 8.735 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -11.938 2.013 6.730 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -11.943 0.261 6.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -14.062 1.156 7.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -13.321 0.328 8.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -13.317 2.026 8.724 1.00 0.00 H new ATOM 1331 N VAL A 90 -9.527 -3.197 10.282 1.00 0.00 N ATOM 1332 CA VAL A 90 -10.374 -4.059 11.089 1.00 0.00 C ATOM 1333 C VAL A 90 -10.200 -3.700 12.566 1.00 0.00 C ATOM 1334 O VAL A 90 -9.192 -4.048 13.178 1.00 0.00 O ATOM 1335 CB VAL A 90 -10.064 -5.527 10.790 1.00 0.00 C ATOM 1336 CG1 VAL A 90 -10.812 -6.452 11.751 1.00 0.00 C ATOM 1337 CG2 VAL A 90 -10.387 -5.871 9.334 1.00 0.00 C ATOM 0 H VAL A 90 -8.745 -3.671 9.829 1.00 0.00 H new ATOM 0 HA VAL A 90 -11.424 -3.905 10.838 1.00 0.00 H new ATOM 0 HB VAL A 90 -8.995 -5.681 10.941 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -10.574 -7.490 11.517 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -10.511 -6.233 12.775 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -11.885 -6.294 11.647 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -10.157 -6.920 9.148 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -11.445 -5.692 9.144 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -9.789 -5.246 8.671 1.00 0.00 H new ATOM 1347 N ASN A 91 -11.198 -3.007 13.095 1.00 0.00 N ATOM 1348 CA ASN A 91 -11.167 -2.596 14.488 1.00 0.00 C ATOM 1349 C ASN A 91 -9.976 -1.663 14.715 1.00 0.00 C ATOM 1350 O ASN A 91 -8.852 -2.122 14.912 1.00 0.00 O ATOM 1351 CB ASN A 91 -11.005 -3.803 15.414 1.00 0.00 C ATOM 1352 CG ASN A 91 -11.931 -3.691 16.628 1.00 0.00 C ATOM 1353 OD1 ASN A 91 -11.598 -3.100 17.642 1.00 0.00 O ATOM 1354 ND2 ASN A 91 -13.107 -4.291 16.468 1.00 0.00 N ATOM 0 H ASN A 91 -12.033 -2.720 12.584 1.00 0.00 H new ATOM 0 HA ASN A 91 -12.108 -2.093 14.712 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -11.227 -4.719 14.866 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -9.970 -3.874 15.747 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -13.795 -4.274 17.221 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -13.321 -4.768 15.592 1.00 0.00 H new ATOM 1361 N ARG A 92 -10.263 -0.370 14.679 1.00 0.00 N ATOM 1362 CA ARG A 92 -9.229 0.631 14.878 1.00 0.00 C ATOM 1363 C ARG A 92 -9.229 1.113 16.330 1.00 0.00 C ATOM 1364 O ARG A 92 -10.065 1.928 16.718 1.00 0.00 O ATOM 1365 CB ARG A 92 -9.438 1.830 13.951 1.00 0.00 C ATOM 1366 CG ARG A 92 -8.737 1.613 12.608 1.00 0.00 C ATOM 1367 CD ARG A 92 -8.440 2.948 11.922 1.00 0.00 C ATOM 1368 NE ARG A 92 -6.992 3.246 12.000 1.00 0.00 N ATOM 1369 CZ ARG A 92 -6.409 4.298 11.411 1.00 0.00 C ATOM 1370 NH1 ARG A 92 -7.146 5.160 10.697 1.00 0.00 N ATOM 1371 NH2 ARG A 92 -5.088 4.489 11.536 1.00 0.00 N ATOM 0 H ARG A 92 -11.196 0.007 14.515 1.00 0.00 H new ATOM 0 HA ARG A 92 -8.270 0.168 14.645 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -10.504 1.987 13.788 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -9.052 2.733 14.425 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -7.808 1.065 12.763 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -9.364 0.999 11.961 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -8.756 2.909 10.880 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -9.010 3.746 12.398 1.00 0.00 H new ATOM 0 HE ARG A 92 -6.401 2.610 12.536 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -8.151 5.015 10.602 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -6.702 5.961 10.248 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -4.527 3.833 12.080 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -4.644 5.290 11.087 1.00 0.00 H new ATOM 1385 N SER A 93 -8.282 0.589 17.094 1.00 0.00 N ATOM 1386 CA SER A 93 -8.163 0.955 18.495 1.00 0.00 C ATOM 1387 C SER A 93 -7.097 2.039 18.664 1.00 0.00 C ATOM 1388 O SER A 93 -6.205 2.173 17.827 1.00 0.00 O ATOM 1389 CB SER A 93 -7.821 -0.263 19.356 1.00 0.00 C ATOM 1390 OG SER A 93 -8.203 -0.080 20.716 1.00 0.00 O ATOM 0 H SER A 93 -7.590 -0.086 16.769 1.00 0.00 H new ATOM 0 HA SER A 93 -9.125 1.344 18.829 1.00 0.00 H new ATOM 0 HB2 SER A 93 -8.323 -1.143 18.954 1.00 0.00 H new ATOM 0 HB3 SER A 93 -6.749 -0.455 19.303 1.00 0.00 H new ATOM 0 HG SER A 93 -7.969 -0.880 21.232 1.00 0.00 H new ATOM 1396 N GLY A 94 -7.223 2.785 19.751 1.00 0.00 N ATOM 1397 CA GLY A 94 -6.282 3.854 20.040 1.00 0.00 C ATOM 1398 C GLY A 94 -6.560 5.080 19.168 1.00 0.00 C ATOM 1399 O GLY A 94 -6.098 5.156 18.031 1.00 0.00 O ATOM 0 H GLY A 94 -7.963 2.670 20.443 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -6.351 4.129 21.093 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -5.264 3.504 19.868 1.00 0.00 H new ATOM 1403 N PRO A 95 -7.335 6.035 19.750 1.00 0.00 N ATOM 1404 CA PRO A 95 -7.680 7.254 19.039 1.00 0.00 C ATOM 1405 C PRO A 95 -6.487 8.210 18.978 1.00 0.00 C ATOM 1406 O PRO A 95 -6.149 8.719 17.911 1.00 0.00 O ATOM 1407 CB PRO A 95 -8.865 7.830 19.798 1.00 0.00 C ATOM 1408 CG PRO A 95 -8.845 7.167 21.166 1.00 0.00 C ATOM 1409 CD PRO A 95 -7.900 5.979 21.095 1.00 0.00 C ATOM 0 HA PRO A 95 -7.941 7.073 17.996 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -8.782 8.913 19.888 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -9.800 7.624 19.277 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -8.514 7.873 21.927 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -9.847 6.842 21.447 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -7.121 6.046 21.855 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -8.429 5.041 21.263 1.00 0.00 H new ATOM 1417 N SER A 96 -5.883 8.425 20.137 1.00 0.00 N ATOM 1418 CA SER A 96 -4.735 9.311 20.229 1.00 0.00 C ATOM 1419 C SER A 96 -3.859 8.911 21.418 1.00 0.00 C ATOM 1420 O SER A 96 -4.099 9.344 22.544 1.00 0.00 O ATOM 1421 CB SER A 96 -5.174 10.771 20.362 1.00 0.00 C ATOM 1422 OG SER A 96 -4.327 11.652 19.629 1.00 0.00 O ATOM 0 H SER A 96 -6.167 8.001 21.020 1.00 0.00 H new ATOM 0 HA SER A 96 -4.156 9.216 19.310 1.00 0.00 H new ATOM 0 HB2 SER A 96 -6.199 10.875 20.007 1.00 0.00 H new ATOM 0 HB3 SER A 96 -5.170 11.056 21.414 1.00 0.00 H new ATOM 0 HG SER A 96 -4.641 12.574 19.738 1.00 0.00 H new ATOM 1428 N SER A 97 -2.861 8.089 21.127 1.00 0.00 N ATOM 1429 CA SER A 97 -1.948 7.625 22.158 1.00 0.00 C ATOM 1430 C SER A 97 -1.393 8.817 22.940 1.00 0.00 C ATOM 1431 O SER A 97 -0.759 9.701 22.364 1.00 0.00 O ATOM 1432 CB SER A 97 -0.805 6.807 21.554 1.00 0.00 C ATOM 1433 OG SER A 97 -0.738 5.495 22.106 1.00 0.00 O ATOM 0 H SER A 97 -2.665 7.732 20.192 1.00 0.00 H new ATOM 0 HA SER A 97 -2.501 6.978 22.839 1.00 0.00 H new ATOM 0 HB2 SER A 97 -0.938 6.740 20.474 1.00 0.00 H new ATOM 0 HB3 SER A 97 0.140 7.322 21.727 1.00 0.00 H new ATOM 0 HG SER A 97 0.003 5.004 21.694 1.00 0.00 H new ATOM 1439 N GLY A 98 -1.651 8.804 24.239 1.00 0.00 N ATOM 1440 CA GLY A 98 -1.184 9.874 25.106 1.00 0.00 C ATOM 1441 C GLY A 98 -1.567 11.243 24.541 1.00 0.00 C ATOM 1442 O GLY A 98 -0.717 12.122 24.405 1.00 0.00 O ATOM 0 H GLY A 98 -2.177 8.070 24.713 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -1.613 9.754 26.101 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -0.101 9.812 25.216 1.00 0.00 H new TER 1446 GLY A 98