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= -1.88 X(o=-2.3,f=-1.9!) USER MOD Set 1.2: A 78 GLN : amide:sc= -0.457 K(o=-2.3,f=-1.5) USER MOD Set 2.1: A 59 ASN : amide:sc= -1.15 K(o=-2,f=-2.8) USER MOD Set 2.2: A 62 ASN : amide:sc= -0.82 K(o=-2,f=-5.6!) USER MOD Set 3.1: A 16 SER OG : rot 148:sc= 1.22 USER MOD Set 3.2: A 56 GLN : amide:sc= -4.9! C(o=-3.7!,f=-6.2!) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -0.354 K(o=-0.35,f=-2.8!) USER MOD Single : A 22 ASN : amide:sc= 1.13 K(o=1.1,f=-0.3) USER MOD Single : A 25 THR OG1 : rot -80:sc= -0.205 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0168) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 5:sc= 0.501! USER MOD Single : A 39 LYS NZ :NH3+ -172:sc= -0.449 (180deg=-0.524) USER MOD Single : A 40 TYR OH : rot 180:sc= -1.05 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 CYS SG : rot 7:sc= -3.68! USER MOD Single : A 47 SER OG : rot 180:sc= -0.086 USER MOD Single : A 49 HIS : no HD1:sc= -1.33 K(o=-1.3,f=0.14) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 TYR OH : rot -4:sc= -4.25! USER MOD Single : A 74 MET CE :methyl 155:sc= 0 (180deg=-0.83) USER MOD Single : A 83 ASN : amide:sc= -2.58 K(o=-2.6,f=-1.8) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= -1.17 K(o=-1.2,f=-5.9!) 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 23:sc= 0.629 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.305 22.545 23.637 1.00 0.00 N ATOM 2 CA GLY A 1 10.568 21.922 23.998 1.00 0.00 C ATOM 3 C GLY A 1 10.378 20.915 25.134 1.00 0.00 C ATOM 4 O GLY A 1 10.962 21.065 26.206 1.00 0.00 O ATOM 0 H1 GLY A 1 9.461 23.224 22.865 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.634 21.814 23.326 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.915 23.044 24.462 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.991 21.419 23.128 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.282 22.688 24.302 1.00 0.00 H new ATOM 8 N SER A 2 9.558 19.911 24.861 1.00 0.00 N ATOM 9 CA SER A 2 9.283 18.879 25.846 1.00 0.00 C ATOM 10 C SER A 2 9.928 17.560 25.417 1.00 0.00 C ATOM 11 O SER A 2 9.876 17.192 24.245 1.00 0.00 O ATOM 12 CB SER A 2 7.777 18.694 26.045 1.00 0.00 C ATOM 13 OG SER A 2 7.478 17.519 26.795 1.00 0.00 O ATOM 0 H SER A 2 9.075 19.790 23.971 1.00 0.00 H new ATOM 0 HA SER A 2 9.712 19.193 26.798 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.369 19.565 26.558 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.287 18.638 25.073 1.00 0.00 H new ATOM 0 HG SER A 2 6.507 17.437 26.902 1.00 0.00 H new ATOM 19 N SER A 3 10.523 16.885 26.390 1.00 0.00 N ATOM 20 CA SER A 3 11.178 15.615 26.128 1.00 0.00 C ATOM 21 C SER A 3 12.314 15.810 25.122 1.00 0.00 C ATOM 22 O SER A 3 12.395 16.846 24.465 1.00 0.00 O ATOM 23 CB SER A 3 10.180 14.578 25.607 1.00 0.00 C ATOM 24 OG SER A 3 10.718 13.259 25.635 1.00 0.00 O ATOM 0 H SER A 3 10.565 17.194 27.361 1.00 0.00 H new ATOM 0 HA SER A 3 11.591 15.243 27.066 1.00 0.00 H new ATOM 0 HB2 SER A 3 9.273 14.613 26.210 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.894 14.831 24.586 1.00 0.00 H new ATOM 0 HG SER A 3 10.051 12.626 25.297 1.00 0.00 H new ATOM 30 N GLY A 4 13.163 14.797 25.033 1.00 0.00 N ATOM 31 CA GLY A 4 14.291 14.844 24.118 1.00 0.00 C ATOM 32 C GLY A 4 13.823 14.739 22.665 1.00 0.00 C ATOM 33 O GLY A 4 14.048 15.650 21.869 1.00 0.00 O ATOM 0 H GLY A 4 13.093 13.939 25.579 1.00 0.00 H new ATOM 0 HA2 GLY A 4 14.841 15.774 24.260 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.980 14.029 24.342 1.00 0.00 H new ATOM 37 N SER A 5 13.181 13.620 22.363 1.00 0.00 N ATOM 38 CA SER A 5 12.680 13.384 21.020 1.00 0.00 C ATOM 39 C SER A 5 13.848 13.224 20.045 1.00 0.00 C ATOM 40 O SER A 5 14.115 12.123 19.565 1.00 0.00 O ATOM 41 CB SER A 5 11.763 14.522 20.566 1.00 0.00 C ATOM 42 OG SER A 5 11.094 14.215 19.346 1.00 0.00 O ATOM 0 H SER A 5 12.996 12.867 23.026 1.00 0.00 H new ATOM 0 HA SER A 5 12.096 12.464 21.031 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.026 14.725 21.343 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.350 15.432 20.438 1.00 0.00 H new ATOM 0 HG SER A 5 10.517 14.965 19.091 1.00 0.00 H new ATOM 48 N SER A 6 14.515 14.338 19.782 1.00 0.00 N ATOM 49 CA SER A 6 15.649 14.336 18.874 1.00 0.00 C ATOM 50 C SER A 6 16.601 13.192 19.229 1.00 0.00 C ATOM 51 O SER A 6 17.009 13.055 20.382 1.00 0.00 O ATOM 52 CB SER A 6 16.389 15.674 18.913 1.00 0.00 C ATOM 53 OG SER A 6 16.855 16.064 17.624 1.00 0.00 O ATOM 0 H SER A 6 14.291 15.249 20.182 1.00 0.00 H new ATOM 0 HA SER A 6 15.275 14.188 17.861 1.00 0.00 H new ATOM 0 HB2 SER A 6 15.726 16.444 19.307 1.00 0.00 H new ATOM 0 HB3 SER A 6 17.234 15.601 19.597 1.00 0.00 H new ATOM 0 HG SER A 6 17.320 16.924 17.691 1.00 0.00 H new ATOM 59 N GLY A 7 16.929 12.401 18.218 1.00 0.00 N ATOM 60 CA GLY A 7 17.825 11.274 18.410 1.00 0.00 C ATOM 61 C GLY A 7 19.027 11.363 17.467 1.00 0.00 C ATOM 62 O GLY A 7 19.270 12.407 16.863 1.00 0.00 O ATOM 0 H GLY A 7 16.590 12.519 17.263 1.00 0.00 H new ATOM 0 HA2 GLY A 7 18.170 11.251 19.444 1.00 0.00 H new ATOM 0 HA3 GLY A 7 17.287 10.343 18.233 1.00 0.00 H new ATOM 66 N LYS A 8 19.747 10.255 17.371 1.00 0.00 N ATOM 67 CA LYS A 8 20.918 10.195 16.513 1.00 0.00 C ATOM 68 C LYS A 8 21.303 8.732 16.285 1.00 0.00 C ATOM 69 O LYS A 8 21.463 7.973 17.239 1.00 0.00 O ATOM 70 CB LYS A 8 22.050 11.047 17.090 1.00 0.00 C ATOM 71 CG LYS A 8 22.617 11.995 16.031 1.00 0.00 C ATOM 72 CD LYS A 8 22.205 13.442 16.314 1.00 0.00 C ATOM 73 CE LYS A 8 23.172 14.426 15.654 1.00 0.00 C ATOM 74 NZ LYS A 8 22.565 15.011 14.437 1.00 0.00 N ATOM 0 H LYS A 8 19.542 9.391 17.873 1.00 0.00 H new ATOM 0 HA LYS A 8 20.696 10.623 15.535 1.00 0.00 H new ATOM 0 HB2 LYS A 8 21.680 11.623 17.938 1.00 0.00 H new ATOM 0 HB3 LYS A 8 22.842 10.399 17.465 1.00 0.00 H new ATOM 0 HG2 LYS A 8 23.704 11.919 16.014 1.00 0.00 H new ATOM 0 HG3 LYS A 8 22.262 11.698 15.044 1.00 0.00 H new ATOM 0 HD2 LYS A 8 21.195 13.615 15.943 1.00 0.00 H new ATOM 0 HD3 LYS A 8 22.184 13.614 17.390 1.00 0.00 H new ATOM 0 HE2 LYS A 8 23.429 15.219 16.356 1.00 0.00 H new ATOM 0 HE3 LYS A 8 24.100 13.916 15.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 23.234 15.677 14.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 22.342 14.252 13.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 21.692 15.515 14.692 1.00 0.00 H new ATOM 88 N THR A 9 21.442 8.380 15.015 1.00 0.00 N ATOM 89 CA THR A 9 21.806 7.022 14.650 1.00 0.00 C ATOM 90 C THR A 9 20.753 6.034 15.156 1.00 0.00 C ATOM 91 O THR A 9 20.542 5.908 16.361 1.00 0.00 O ATOM 92 CB THR A 9 23.209 6.746 15.194 1.00 0.00 C ATOM 93 OG1 THR A 9 24.073 7.411 14.277 1.00 0.00 O ATOM 94 CG2 THR A 9 23.604 5.273 15.076 1.00 0.00 C ATOM 0 H THR A 9 21.309 9.012 14.226 1.00 0.00 H new ATOM 0 HA THR A 9 21.831 6.896 13.568 1.00 0.00 H new ATOM 0 HB THR A 9 23.260 7.053 16.239 1.00 0.00 H new ATOM 0 HG1 THR A 9 25.004 7.285 14.555 1.00 0.00 H new ATOM 0 HG21 THR A 9 24.608 5.132 15.476 1.00 0.00 H new ATOM 0 HG22 THR A 9 22.900 4.661 15.640 1.00 0.00 H new ATOM 0 HG23 THR A 9 23.586 4.974 14.028 1.00 0.00 H new ATOM 102 N ASP A 10 20.120 5.357 14.209 1.00 0.00 N ATOM 103 CA ASP A 10 19.094 4.383 14.544 1.00 0.00 C ATOM 104 C ASP A 10 19.699 2.978 14.505 1.00 0.00 C ATOM 105 O ASP A 10 20.584 2.702 13.697 1.00 0.00 O ATOM 106 CB ASP A 10 17.942 4.430 13.539 1.00 0.00 C ATOM 107 CG ASP A 10 17.477 5.836 13.153 1.00 0.00 C ATOM 108 OD1 ASP A 10 17.461 6.697 14.059 1.00 0.00 O ATOM 109 OD2 ASP A 10 17.147 6.018 11.961 1.00 0.00 O ATOM 0 H ASP A 10 20.297 5.463 13.210 1.00 0.00 H new ATOM 0 HA ASP A 10 18.715 4.620 15.538 1.00 0.00 H new ATOM 0 HB2 ASP A 10 18.247 3.904 12.635 1.00 0.00 H new ATOM 0 HB3 ASP A 10 17.095 3.885 13.955 1.00 0.00 H new ATOM 114 N PRO A 11 19.183 2.106 15.411 1.00 0.00 N ATOM 115 CA PRO A 11 19.662 0.736 15.488 1.00 0.00 C ATOM 116 C PRO A 11 19.123 -0.100 14.325 1.00 0.00 C ATOM 117 O PRO A 11 18.475 -1.123 14.539 1.00 0.00 O ATOM 118 CB PRO A 11 19.199 0.233 16.845 1.00 0.00 C ATOM 119 CG PRO A 11 18.088 1.173 17.281 1.00 0.00 C ATOM 120 CD PRO A 11 18.134 2.398 16.383 1.00 0.00 C ATOM 0 HA PRO A 11 20.746 0.664 15.400 1.00 0.00 H new ATOM 0 HB2 PRO A 11 18.838 -0.794 16.779 1.00 0.00 H new ATOM 0 HB3 PRO A 11 20.019 0.237 17.564 1.00 0.00 H new ATOM 0 HG2 PRO A 11 17.119 0.680 17.204 1.00 0.00 H new ATOM 0 HG3 PRO A 11 18.218 1.460 18.325 1.00 0.00 H new ATOM 0 HD2 PRO A 11 17.175 2.566 15.892 1.00 0.00 H new ATOM 0 HD3 PRO A 11 18.362 3.299 16.953 1.00 0.00 H new ATOM 128 N ARG A 12 19.411 0.368 13.119 1.00 0.00 N ATOM 129 CA ARG A 12 18.963 -0.323 11.922 1.00 0.00 C ATOM 130 C ARG A 12 17.457 -0.583 11.991 1.00 0.00 C ATOM 131 O ARG A 12 17.014 -1.522 12.650 1.00 0.00 O ATOM 132 CB ARG A 12 19.695 -1.656 11.749 1.00 0.00 C ATOM 133 CG ARG A 12 20.005 -1.923 10.274 1.00 0.00 C ATOM 134 CD ARG A 12 19.242 -3.148 9.767 1.00 0.00 C ATOM 135 NE ARG A 12 20.106 -3.947 8.870 1.00 0.00 N ATOM 136 CZ ARG A 12 19.748 -5.122 8.333 1.00 0.00 C ATOM 137 NH1 ARG A 12 18.542 -5.641 8.599 1.00 0.00 N ATOM 138 NH2 ARG A 12 20.597 -5.777 7.530 1.00 0.00 N ATOM 0 H ARG A 12 19.949 1.217 12.945 1.00 0.00 H new ATOM 0 HA ARG A 12 19.187 0.316 11.068 1.00 0.00 H new ATOM 0 HB2 ARG A 12 20.622 -1.643 12.323 1.00 0.00 H new ATOM 0 HB3 ARG A 12 19.084 -2.465 12.148 1.00 0.00 H new ATOM 0 HG2 ARG A 12 19.736 -1.051 9.678 1.00 0.00 H new ATOM 0 HG3 ARG A 12 21.076 -2.079 10.146 1.00 0.00 H new ATOM 0 HD2 ARG A 12 18.916 -3.758 10.610 1.00 0.00 H new ATOM 0 HD3 ARG A 12 18.344 -2.833 9.235 1.00 0.00 H new ATOM 0 HE ARG A 12 21.031 -3.581 8.646 1.00 0.00 H new ATOM 0 HH11 ARG A 12 17.896 -5.142 9.210 1.00 0.00 H new ATOM 0 HH12 ARG A 12 18.270 -6.535 8.190 1.00 0.00 H new ATOM 0 HH21 ARG A 12 21.515 -5.382 7.328 1.00 0.00 H new ATOM 0 HH22 ARG A 12 20.325 -6.671 7.121 1.00 0.00 H new ATOM 152 N SER A 13 16.710 0.267 11.301 1.00 0.00 N ATOM 153 CA SER A 13 15.263 0.142 11.276 1.00 0.00 C ATOM 154 C SER A 13 14.778 -0.038 9.836 1.00 0.00 C ATOM 155 O SER A 13 15.176 0.711 8.945 1.00 0.00 O ATOM 156 CB SER A 13 14.593 1.362 11.912 1.00 0.00 C ATOM 157 OG SER A 13 13.437 1.004 12.664 1.00 0.00 O ATOM 0 H SER A 13 17.080 1.045 10.755 1.00 0.00 H new ATOM 0 HA SER A 13 14.986 -0.736 11.859 1.00 0.00 H new ATOM 0 HB2 SER A 13 15.306 1.869 12.562 1.00 0.00 H new ATOM 0 HB3 SER A 13 14.313 2.070 11.132 1.00 0.00 H new ATOM 0 HG SER A 13 13.039 1.809 13.055 1.00 0.00 H new ATOM 163 N MET A 14 13.926 -1.036 9.652 1.00 0.00 N ATOM 164 CA MET A 14 13.383 -1.324 8.336 1.00 0.00 C ATOM 165 C MET A 14 11.937 -1.813 8.434 1.00 0.00 C ATOM 166 O MET A 14 11.682 -3.016 8.419 1.00 0.00 O ATOM 167 CB MET A 14 14.238 -2.394 7.654 1.00 0.00 C ATOM 168 CG MET A 14 14.027 -2.380 6.138 1.00 0.00 C ATOM 169 SD MET A 14 15.572 -2.041 5.310 1.00 0.00 S ATOM 170 CE MET A 14 15.271 -0.367 4.768 1.00 0.00 C ATOM 0 H MET A 14 13.598 -1.655 10.393 1.00 0.00 H new ATOM 0 HA MET A 14 13.397 -0.406 7.749 1.00 0.00 H new ATOM 0 HB2 MET A 14 15.290 -2.222 7.880 1.00 0.00 H new ATOM 0 HB3 MET A 14 13.983 -3.376 8.051 1.00 0.00 H new ATOM 0 HG2 MET A 14 13.632 -3.341 5.809 1.00 0.00 H new ATOM 0 HG3 MET A 14 13.289 -1.623 5.872 1.00 0.00 H new ATOM 0 HE1 MET A 14 16.143 0.003 4.229 1.00 0.00 H new ATOM 0 HE2 MET A 14 14.402 -0.348 4.110 1.00 0.00 H new ATOM 0 HE3 MET A 14 15.084 0.268 5.634 1.00 0.00 H new ATOM 180 N ASN A 15 11.027 -0.854 8.533 1.00 0.00 N ATOM 181 CA ASN A 15 9.613 -1.172 8.634 1.00 0.00 C ATOM 182 C ASN A 15 8.814 -0.208 7.754 1.00 0.00 C ATOM 183 O ASN A 15 8.197 0.730 8.256 1.00 0.00 O ATOM 184 CB ASN A 15 9.116 -1.020 10.073 1.00 0.00 C ATOM 185 CG ASN A 15 8.974 -2.385 10.750 1.00 0.00 C ATOM 186 OD1 ASN A 15 8.947 -3.424 10.112 1.00 0.00 O ATOM 187 ND2 ASN A 15 8.885 -2.324 12.076 1.00 0.00 N ATOM 0 H ASN A 15 11.242 0.143 8.545 1.00 0.00 H new ATOM 0 HA ASN A 15 9.475 -2.204 8.312 1.00 0.00 H new ATOM 0 HB2 ASN A 15 9.812 -0.400 10.638 1.00 0.00 H new ATOM 0 HB3 ASN A 15 8.155 -0.506 10.077 1.00 0.00 H new ATOM 0 HD21 ASN A 15 8.787 -3.181 12.621 1.00 0.00 H new ATOM 0 HD22 ASN A 15 8.914 -1.420 12.548 1.00 0.00 H new ATOM 194 N SER A 16 8.852 -0.473 6.456 1.00 0.00 N ATOM 195 CA SER A 16 8.139 0.359 5.502 1.00 0.00 C ATOM 196 C SER A 16 7.340 -0.519 4.537 1.00 0.00 C ATOM 197 O SER A 16 7.899 -1.081 3.596 1.00 0.00 O ATOM 198 CB SER A 16 9.105 1.258 4.726 1.00 0.00 C ATOM 199 OG SER A 16 10.185 0.520 4.162 1.00 0.00 O ATOM 0 H SER A 16 9.365 -1.252 6.043 1.00 0.00 H new ATOM 0 HA SER A 16 7.452 1.000 6.054 1.00 0.00 H new ATOM 0 HB2 SER A 16 8.563 1.772 3.932 1.00 0.00 H new ATOM 0 HB3 SER A 16 9.499 2.026 5.391 1.00 0.00 H new ATOM 0 HG SER A 16 10.466 0.941 3.323 1.00 0.00 H new ATOM 205 N ARG A 17 6.045 -0.609 4.803 1.00 0.00 N ATOM 206 CA ARG A 17 5.164 -1.409 3.970 1.00 0.00 C ATOM 207 C ARG A 17 3.767 -0.785 3.923 1.00 0.00 C ATOM 208 O ARG A 17 3.180 -0.490 4.962 1.00 0.00 O ATOM 209 CB ARG A 17 5.057 -2.841 4.497 1.00 0.00 C ATOM 210 CG ARG A 17 5.434 -3.854 3.414 1.00 0.00 C ATOM 211 CD ARG A 17 5.242 -5.287 3.912 1.00 0.00 C ATOM 212 NE ARG A 17 6.478 -6.070 3.692 1.00 0.00 N ATOM 213 CZ ARG A 17 6.735 -7.249 4.276 1.00 0.00 C ATOM 214 NH1 ARG A 17 5.843 -7.788 5.118 1.00 0.00 N ATOM 215 NH2 ARG A 17 7.884 -7.889 4.017 1.00 0.00 N ATOM 0 H ARG A 17 5.585 -0.141 5.584 1.00 0.00 H new ATOM 0 HA ARG A 17 5.589 -1.434 2.967 1.00 0.00 H new ATOM 0 HB2 ARG A 17 5.712 -2.965 5.359 1.00 0.00 H new ATOM 0 HB3 ARG A 17 4.040 -3.031 4.839 1.00 0.00 H new ATOM 0 HG2 ARG A 17 4.822 -3.688 2.527 1.00 0.00 H new ATOM 0 HG3 ARG A 17 6.472 -3.705 3.117 1.00 0.00 H new ATOM 0 HD2 ARG A 17 4.989 -5.281 4.972 1.00 0.00 H new ATOM 0 HD3 ARG A 17 4.408 -5.754 3.388 1.00 0.00 H new ATOM 0 HE ARG A 17 7.178 -5.689 3.056 1.00 0.00 H new ATOM 0 HH11 ARG A 17 4.968 -7.301 5.315 1.00 0.00 H new ATOM 0 HH12 ARG A 17 6.038 -8.685 5.562 1.00 0.00 H new ATOM 0 HH21 ARG A 17 8.563 -7.479 3.376 1.00 0.00 H new ATOM 0 HH22 ARG A 17 8.079 -8.786 4.461 1.00 0.00 H new ATOM 229 N VAL A 18 3.277 -0.602 2.706 1.00 0.00 N ATOM 230 CA VAL A 18 1.960 -0.019 2.509 1.00 0.00 C ATOM 231 C VAL A 18 1.027 -1.069 1.903 1.00 0.00 C ATOM 232 O VAL A 18 1.394 -1.755 0.950 1.00 0.00 O ATOM 233 CB VAL A 18 2.071 1.246 1.657 1.00 0.00 C ATOM 234 CG1 VAL A 18 0.697 1.884 1.441 1.00 0.00 C ATOM 235 CG2 VAL A 18 3.047 2.245 2.282 1.00 0.00 C ATOM 0 H VAL A 18 3.768 -0.847 1.846 1.00 0.00 H new ATOM 0 HA VAL A 18 1.530 0.285 3.463 1.00 0.00 H new ATOM 0 HB VAL A 18 2.464 0.959 0.682 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.804 2.782 0.832 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.043 1.176 0.932 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.263 2.149 2.405 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.107 3.135 1.656 1.00 0.00 H new ATOM 0 HG22 VAL A 18 2.696 2.523 3.276 1.00 0.00 H new ATOM 0 HG23 VAL A 18 4.034 1.789 2.360 1.00 0.00 H new ATOM 245 N PHE A 19 -0.162 -1.162 2.480 1.00 0.00 N ATOM 246 CA PHE A 19 -1.150 -2.116 2.009 1.00 0.00 C ATOM 247 C PHE A 19 -2.221 -1.425 1.162 1.00 0.00 C ATOM 248 O PHE A 19 -3.155 -0.832 1.699 1.00 0.00 O ATOM 249 CB PHE A 19 -1.811 -2.725 3.247 1.00 0.00 C ATOM 250 CG PHE A 19 -3.180 -3.353 2.977 1.00 0.00 C ATOM 251 CD1 PHE A 19 -3.359 -4.153 1.892 1.00 0.00 C ATOM 252 CD2 PHE A 19 -4.218 -3.110 3.822 1.00 0.00 C ATOM 253 CE1 PHE A 19 -4.629 -4.736 1.642 1.00 0.00 C ATOM 254 CE2 PHE A 19 -5.488 -3.693 3.571 1.00 0.00 C ATOM 255 CZ PHE A 19 -5.667 -4.493 2.487 1.00 0.00 C ATOM 0 H PHE A 19 -0.463 -0.592 3.270 1.00 0.00 H new ATOM 0 HA PHE A 19 -0.669 -2.874 1.390 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -1.150 -3.485 3.662 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -1.922 -1.950 4.005 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -2.535 -4.345 1.221 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -4.076 -2.474 4.683 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -4.771 -5.372 0.781 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -6.312 -3.501 4.242 1.00 0.00 H new ATOM 0 HZ PHE A 19 -6.633 -4.936 2.296 1.00 0.00 H new ATOM 265 N ILE A 20 -2.048 -1.523 -0.148 1.00 0.00 N ATOM 266 CA ILE A 20 -2.988 -0.914 -1.074 1.00 0.00 C ATOM 267 C ILE A 20 -4.172 -1.859 -1.287 1.00 0.00 C ATOM 268 O ILE A 20 -4.008 -2.955 -1.820 1.00 0.00 O ATOM 269 CB ILE A 20 -2.280 -0.514 -2.370 1.00 0.00 C ATOM 270 CG1 ILE A 20 -1.086 0.400 -2.082 1.00 0.00 C ATOM 271 CG2 ILE A 20 -3.261 0.119 -3.358 1.00 0.00 C ATOM 272 CD1 ILE A 20 0.223 -0.249 -2.536 1.00 0.00 C ATOM 0 H ILE A 20 -1.271 -2.015 -0.590 1.00 0.00 H new ATOM 0 HA ILE A 20 -3.388 0.010 -0.658 1.00 0.00 H new ATOM 0 HB ILE A 20 -1.889 -1.417 -2.839 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -1.221 1.353 -2.594 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -1.038 0.616 -1.015 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -2.732 0.394 -4.270 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -4.049 -0.595 -3.597 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -3.702 1.010 -2.912 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.055 0.421 -2.320 1.00 0.00 H new ATOM 0 HD12 ILE A 20 0.367 -1.189 -2.004 1.00 0.00 H new ATOM 0 HD13 ILE A 20 0.181 -0.441 -3.608 1.00 0.00 H new ATOM 284 N GLY A 21 -5.339 -1.399 -0.860 1.00 0.00 N ATOM 285 CA GLY A 21 -6.550 -2.190 -0.998 1.00 0.00 C ATOM 286 C GLY A 21 -7.568 -1.482 -1.894 1.00 0.00 C ATOM 287 O GLY A 21 -7.521 -0.263 -2.050 1.00 0.00 O ATOM 0 H GLY A 21 -5.472 -0.489 -0.419 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -6.306 -3.165 -1.419 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -6.987 -2.368 -0.015 1.00 0.00 H new ATOM 291 N ASN A 22 -8.466 -2.277 -2.459 1.00 0.00 N ATOM 292 CA ASN A 22 -9.494 -1.741 -3.335 1.00 0.00 C ATOM 293 C ASN A 22 -8.833 -1.107 -4.560 1.00 0.00 C ATOM 294 O ASN A 22 -9.304 -0.090 -5.067 1.00 0.00 O ATOM 295 CB ASN A 22 -10.313 -0.661 -2.627 1.00 0.00 C ATOM 296 CG ASN A 22 -11.725 -0.573 -3.210 1.00 0.00 C ATOM 297 OD1 ASN A 22 -12.485 -1.527 -3.210 1.00 0.00 O ATOM 298 ND2 ASN A 22 -12.031 0.623 -3.706 1.00 0.00 N ATOM 0 H ASN A 22 -8.503 -3.288 -2.327 1.00 0.00 H new ATOM 0 HA ASN A 22 -10.152 -2.560 -3.624 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -10.369 -0.882 -1.561 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -9.814 0.303 -2.727 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -12.950 0.784 -4.119 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -11.347 1.379 -3.674 1.00 0.00 H new ATOM 305 N LEU A 23 -7.752 -1.733 -5.001 1.00 0.00 N ATOM 306 CA LEU A 23 -7.022 -1.243 -6.158 1.00 0.00 C ATOM 307 C LEU A 23 -7.622 -1.848 -7.429 1.00 0.00 C ATOM 308 O LEU A 23 -7.551 -3.059 -7.637 1.00 0.00 O ATOM 309 CB LEU A 23 -5.524 -1.508 -5.998 1.00 0.00 C ATOM 310 CG LEU A 23 -4.589 -0.514 -6.690 1.00 0.00 C ATOM 311 CD1 LEU A 23 -3.203 -1.124 -6.905 1.00 0.00 C ATOM 312 CD2 LEU A 23 -5.200 -0.004 -7.997 1.00 0.00 C ATOM 0 H LEU A 23 -7.364 -2.576 -4.578 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.123 -0.161 -6.242 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.289 -1.517 -4.934 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.309 -2.506 -6.381 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.463 0.349 -6.036 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.558 -0.397 -7.398 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.772 -1.397 -5.942 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.290 -2.014 -7.528 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.515 0.701 -8.468 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.375 -0.844 -8.669 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.146 0.495 -7.786 1.00 0.00 H new ATOM 324 N ASN A 24 -8.198 -0.979 -8.246 1.00 0.00 N ATOM 325 CA ASN A 24 -8.809 -1.413 -9.490 1.00 0.00 C ATOM 326 C ASN A 24 -7.714 -1.846 -10.467 1.00 0.00 C ATOM 327 O ASN A 24 -7.539 -1.234 -11.520 1.00 0.00 O ATOM 328 CB ASN A 24 -9.600 -0.276 -10.141 1.00 0.00 C ATOM 329 CG ASN A 24 -10.622 -0.822 -11.140 1.00 0.00 C ATOM 330 OD1 ASN A 24 -10.871 -2.013 -11.226 1.00 0.00 O ATOM 331 ND2 ASN A 24 -11.199 0.114 -11.889 1.00 0.00 N ATOM 0 H ASN A 24 -8.254 0.024 -8.070 1.00 0.00 H new ATOM 0 HA ASN A 24 -9.483 -2.239 -9.264 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -10.111 0.303 -9.372 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -8.916 0.403 -10.650 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -11.896 -0.149 -12.586 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -10.945 1.094 -11.766 1.00 0.00 H new ATOM 338 N THR A 25 -7.006 -2.899 -10.084 1.00 0.00 N ATOM 339 CA THR A 25 -5.934 -3.421 -10.913 1.00 0.00 C ATOM 340 C THR A 25 -6.446 -3.717 -12.324 1.00 0.00 C ATOM 341 O THR A 25 -5.659 -3.827 -13.263 1.00 0.00 O ATOM 342 CB THR A 25 -5.347 -4.647 -10.210 1.00 0.00 C ATOM 343 OG1 THR A 25 -6.396 -5.611 -10.261 1.00 0.00 O ATOM 344 CG2 THR A 25 -5.127 -4.415 -8.714 1.00 0.00 C ATOM 0 H THR A 25 -7.154 -3.404 -9.210 1.00 0.00 H new ATOM 0 HA THR A 25 -5.138 -2.687 -11.038 1.00 0.00 H new ATOM 0 HB THR A 25 -4.400 -4.915 -10.679 1.00 0.00 H new ATOM 0 HG1 THR A 25 -7.047 -5.424 -9.553 1.00 0.00 H new ATOM 0 HG21 THR A 25 -4.709 -5.315 -8.264 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.436 -3.584 -8.572 1.00 0.00 H new ATOM 0 HG23 THR A 25 -6.079 -4.180 -8.238 1.00 0.00 H new ATOM 352 N LEU A 26 -7.761 -3.837 -12.429 1.00 0.00 N ATOM 353 CA LEU A 26 -8.387 -4.117 -13.709 1.00 0.00 C ATOM 354 C LEU A 26 -8.173 -2.928 -14.648 1.00 0.00 C ATOM 355 O LEU A 26 -8.417 -3.030 -15.850 1.00 0.00 O ATOM 356 CB LEU A 26 -9.858 -4.490 -13.516 1.00 0.00 C ATOM 357 CG LEU A 26 -10.198 -5.975 -13.662 1.00 0.00 C ATOM 358 CD1 LEU A 26 -11.621 -6.262 -13.179 1.00 0.00 C ATOM 359 CD2 LEU A 26 -9.974 -6.451 -15.099 1.00 0.00 C ATOM 0 H LEU A 26 -8.410 -3.745 -11.648 1.00 0.00 H new ATOM 0 HA LEU A 26 -7.921 -4.983 -14.179 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -10.168 -4.162 -12.524 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -10.452 -3.929 -14.237 1.00 0.00 H new ATOM 0 HG LEU A 26 -9.521 -6.544 -13.025 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -11.837 -7.324 -13.294 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -11.712 -5.985 -12.129 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -12.330 -5.682 -13.770 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -10.223 -7.509 -15.175 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.610 -5.879 -15.775 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.929 -6.304 -15.372 1.00 0.00 H new ATOM 371 N VAL A 27 -7.719 -1.829 -14.065 1.00 0.00 N ATOM 372 CA VAL A 27 -7.469 -0.622 -14.835 1.00 0.00 C ATOM 373 C VAL A 27 -6.118 -0.031 -14.424 1.00 0.00 C ATOM 374 O VAL A 27 -5.303 0.315 -15.277 1.00 0.00 O ATOM 375 CB VAL A 27 -8.629 0.360 -14.660 1.00 0.00 C ATOM 376 CG1 VAL A 27 -8.355 1.669 -15.403 1.00 0.00 C ATOM 377 CG2 VAL A 27 -9.949 -0.265 -15.117 1.00 0.00 C ATOM 0 H VAL A 27 -7.518 -1.749 -13.068 1.00 0.00 H new ATOM 0 HA VAL A 27 -7.413 -0.852 -15.899 1.00 0.00 H new ATOM 0 HB VAL A 27 -8.717 0.590 -13.598 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -9.195 2.350 -15.263 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -7.447 2.127 -15.011 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -8.228 1.464 -16.466 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -10.758 0.453 -14.982 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -9.877 -0.537 -16.170 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -10.154 -1.157 -14.525 1.00 0.00 H new ATOM 387 N VAL A 28 -5.924 0.067 -13.117 1.00 0.00 N ATOM 388 CA VAL A 28 -4.687 0.610 -12.582 1.00 0.00 C ATOM 389 C VAL A 28 -3.561 -0.407 -12.781 1.00 0.00 C ATOM 390 O VAL A 28 -3.754 -1.602 -12.563 1.00 0.00 O ATOM 391 CB VAL A 28 -4.881 1.010 -11.118 1.00 0.00 C ATOM 392 CG1 VAL A 28 -3.854 2.063 -10.697 1.00 0.00 C ATOM 393 CG2 VAL A 28 -6.307 1.504 -10.868 1.00 0.00 C ATOM 0 H VAL A 28 -6.603 -0.221 -12.412 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.404 1.517 -13.117 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.722 0.123 -10.505 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -4.014 2.330 -9.652 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.849 1.660 -10.819 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.967 2.951 -11.320 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.417 1.782 -9.820 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.507 2.372 -11.496 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -7.014 0.711 -11.110 1.00 0.00 H new ATOM 403 N LYS A 29 -2.410 0.106 -13.191 1.00 0.00 N ATOM 404 CA LYS A 29 -1.253 -0.742 -13.421 1.00 0.00 C ATOM 405 C LYS A 29 -0.277 -0.594 -12.253 1.00 0.00 C ATOM 406 O LYS A 29 -0.557 0.122 -11.292 1.00 0.00 O ATOM 407 CB LYS A 29 -0.630 -0.440 -14.785 1.00 0.00 C ATOM 408 CG LYS A 29 -0.841 -1.604 -15.755 1.00 0.00 C ATOM 409 CD LYS A 29 0.380 -2.525 -15.781 1.00 0.00 C ATOM 410 CE LYS A 29 0.307 -3.566 -14.662 1.00 0.00 C ATOM 411 NZ LYS A 29 -0.367 -4.794 -15.140 1.00 0.00 N ATOM 0 H LYS A 29 -2.254 1.098 -13.370 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.550 -1.790 -13.457 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -1.072 0.467 -15.198 1.00 0.00 H new ATOM 0 HB3 LYS A 29 0.437 -0.249 -14.667 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.723 -2.172 -15.460 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -1.031 -1.218 -16.756 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.440 -3.028 -16.746 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.289 -1.933 -15.673 1.00 0.00 H new ATOM 0 HE2 LYS A 29 1.312 -3.807 -14.315 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.234 -3.155 -13.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -0.408 -5.490 -14.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -1.333 -4.562 -15.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 0.166 -5.194 -15.939 1.00 0.00 H new ATOM 425 N LYS A 30 0.849 -1.282 -12.373 1.00 0.00 N ATOM 426 CA LYS A 30 1.868 -1.236 -11.338 1.00 0.00 C ATOM 427 C LYS A 30 2.597 0.108 -11.406 1.00 0.00 C ATOM 428 O LYS A 30 2.825 0.747 -10.380 1.00 0.00 O ATOM 429 CB LYS A 30 2.798 -2.446 -11.448 1.00 0.00 C ATOM 430 CG LYS A 30 3.218 -2.942 -10.063 1.00 0.00 C ATOM 431 CD LYS A 30 3.054 -4.459 -9.950 1.00 0.00 C ATOM 432 CE LYS A 30 4.362 -5.121 -9.513 1.00 0.00 C ATOM 433 NZ LYS A 30 5.366 -5.050 -10.598 1.00 0.00 N ATOM 0 H LYS A 30 1.078 -1.874 -13.171 1.00 0.00 H new ATOM 0 HA LYS A 30 1.412 -1.302 -10.350 1.00 0.00 H new ATOM 0 HB2 LYS A 30 2.295 -3.248 -11.988 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.682 -2.178 -12.026 1.00 0.00 H new ATOM 0 HG2 LYS A 30 4.257 -2.670 -9.875 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.616 -2.450 -9.299 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.267 -4.691 -9.232 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.739 -4.867 -10.911 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.746 -4.627 -8.621 1.00 0.00 H new ATOM 0 HE3 LYS A 30 4.179 -6.162 -9.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 6.190 -5.632 -10.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 4.948 -5.405 -11.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 5.667 -4.063 -10.729 1.00 0.00 H new ATOM 447 N SER A 31 2.942 0.497 -12.625 1.00 0.00 N ATOM 448 CA SER A 31 3.640 1.753 -12.840 1.00 0.00 C ATOM 449 C SER A 31 2.774 2.921 -12.364 1.00 0.00 C ATOM 450 O SER A 31 3.286 4.003 -12.080 1.00 0.00 O ATOM 451 CB SER A 31 4.010 1.932 -14.313 1.00 0.00 C ATOM 452 OG SER A 31 5.420 2.025 -14.502 1.00 0.00 O ATOM 0 H SER A 31 2.751 -0.036 -13.474 1.00 0.00 H new ATOM 0 HA SER A 31 4.564 1.735 -12.261 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.622 1.092 -14.889 1.00 0.00 H new ATOM 0 HB3 SER A 31 3.532 2.832 -14.700 1.00 0.00 H new ATOM 0 HG SER A 31 5.616 2.137 -15.456 1.00 0.00 H new ATOM 458 N ASP A 32 1.476 2.663 -12.292 1.00 0.00 N ATOM 459 CA ASP A 32 0.535 3.680 -11.856 1.00 0.00 C ATOM 460 C ASP A 32 0.596 3.806 -10.333 1.00 0.00 C ATOM 461 O ASP A 32 0.356 4.881 -9.785 1.00 0.00 O ATOM 462 CB ASP A 32 -0.898 3.305 -12.242 1.00 0.00 C ATOM 463 CG ASP A 32 -1.199 3.362 -13.741 1.00 0.00 C ATOM 464 OD1 ASP A 32 -0.414 2.756 -14.501 1.00 0.00 O ATOM 465 OD2 ASP A 32 -2.208 4.011 -14.093 1.00 0.00 O ATOM 0 H ASP A 32 1.055 1.765 -12.528 1.00 0.00 H new ATOM 0 HA ASP A 32 0.805 4.619 -12.339 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.103 2.296 -11.884 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -1.585 3.973 -11.723 1.00 0.00 H new ATOM 470 N VAL A 33 0.918 2.692 -9.691 1.00 0.00 N ATOM 471 CA VAL A 33 1.014 2.664 -8.242 1.00 0.00 C ATOM 472 C VAL A 33 2.468 2.896 -7.826 1.00 0.00 C ATOM 473 O VAL A 33 2.747 3.190 -6.665 1.00 0.00 O ATOM 474 CB VAL A 33 0.441 1.351 -7.704 1.00 0.00 C ATOM 475 CG1 VAL A 33 0.525 1.301 -6.177 1.00 0.00 C ATOM 476 CG2 VAL A 33 -0.998 1.146 -8.181 1.00 0.00 C ATOM 0 H VAL A 33 1.116 1.802 -10.149 1.00 0.00 H new ATOM 0 HA VAL A 33 0.419 3.466 -7.805 1.00 0.00 H new ATOM 0 HB VAL A 33 1.045 0.534 -8.099 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.111 0.358 -5.821 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.567 1.380 -5.867 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.043 2.129 -5.754 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.382 0.206 -7.785 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.619 1.969 -7.828 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.019 1.117 -9.270 1.00 0.00 H new ATOM 486 N GLU A 34 3.358 2.753 -8.798 1.00 0.00 N ATOM 487 CA GLU A 34 4.776 2.943 -8.549 1.00 0.00 C ATOM 488 C GLU A 34 5.166 4.403 -8.786 1.00 0.00 C ATOM 489 O GLU A 34 5.990 4.956 -8.059 1.00 0.00 O ATOM 490 CB GLU A 34 5.616 2.003 -9.415 1.00 0.00 C ATOM 491 CG GLU A 34 5.990 0.735 -8.645 1.00 0.00 C ATOM 492 CD GLU A 34 6.840 -0.200 -9.508 1.00 0.00 C ATOM 493 OE1 GLU A 34 8.079 -0.036 -9.473 1.00 0.00 O ATOM 494 OE2 GLU A 34 6.232 -1.058 -10.183 1.00 0.00 O ATOM 0 H GLU A 34 3.123 2.508 -9.760 1.00 0.00 H new ATOM 0 HA GLU A 34 4.977 2.699 -7.506 1.00 0.00 H new ATOM 0 HB2 GLU A 34 5.060 1.736 -10.313 1.00 0.00 H new ATOM 0 HB3 GLU A 34 6.521 2.515 -9.741 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.539 1.002 -7.742 1.00 0.00 H new ATOM 0 HG3 GLU A 34 5.085 0.219 -8.326 1.00 0.00 H new ATOM 501 N ALA A 35 4.556 4.987 -9.807 1.00 0.00 N ATOM 502 CA ALA A 35 4.829 6.372 -10.150 1.00 0.00 C ATOM 503 C ALA A 35 4.065 7.290 -9.194 1.00 0.00 C ATOM 504 O ALA A 35 4.633 8.235 -8.649 1.00 0.00 O ATOM 505 CB ALA A 35 4.460 6.618 -11.614 1.00 0.00 C ATOM 0 H ALA A 35 3.873 4.526 -10.408 1.00 0.00 H new ATOM 0 HA ALA A 35 5.891 6.592 -10.040 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.665 7.657 -11.871 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.051 5.963 -12.253 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.400 6.410 -11.762 1.00 0.00 H new ATOM 511 N ILE A 36 2.789 6.979 -9.019 1.00 0.00 N ATOM 512 CA ILE A 36 1.942 7.764 -8.138 1.00 0.00 C ATOM 513 C ILE A 36 2.543 7.771 -6.731 1.00 0.00 C ATOM 514 O ILE A 36 2.417 8.754 -6.003 1.00 0.00 O ATOM 515 CB ILE A 36 0.500 7.255 -8.188 1.00 0.00 C ATOM 516 CG1 ILE A 36 -0.121 7.499 -9.565 1.00 0.00 C ATOM 517 CG2 ILE A 36 -0.338 7.870 -7.065 1.00 0.00 C ATOM 518 CD1 ILE A 36 -1.525 6.899 -9.648 1.00 0.00 C ATOM 0 H ILE A 36 2.321 6.194 -9.472 1.00 0.00 H new ATOM 0 HA ILE A 36 1.902 8.801 -8.473 1.00 0.00 H new ATOM 0 HB ILE A 36 0.513 6.177 -8.027 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.167 8.570 -9.762 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.512 7.060 -10.336 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -1.359 7.492 -7.123 1.00 0.00 H new ATOM 0 HG22 ILE A 36 0.094 7.602 -6.101 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.347 8.955 -7.170 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.943 7.087 -10.637 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.472 5.824 -9.475 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.162 7.358 -8.892 1.00 0.00 H new ATOM 530 N PHE A 37 3.184 6.662 -6.391 1.00 0.00 N ATOM 531 CA PHE A 37 3.806 6.528 -5.085 1.00 0.00 C ATOM 532 C PHE A 37 5.277 6.945 -5.132 1.00 0.00 C ATOM 533 O PHE A 37 5.905 7.137 -4.092 1.00 0.00 O ATOM 534 CB PHE A 37 3.719 5.050 -4.698 1.00 0.00 C ATOM 535 CG PHE A 37 2.304 4.578 -4.358 1.00 0.00 C ATOM 536 CD1 PHE A 37 1.305 4.711 -5.270 1.00 0.00 C ATOM 537 CD2 PHE A 37 2.046 4.025 -3.143 1.00 0.00 C ATOM 538 CE1 PHE A 37 -0.009 4.273 -4.955 1.00 0.00 C ATOM 539 CE2 PHE A 37 0.732 3.586 -2.827 1.00 0.00 C ATOM 540 CZ PHE A 37 -0.267 3.719 -3.739 1.00 0.00 C ATOM 0 H PHE A 37 3.286 5.848 -6.998 1.00 0.00 H new ATOM 0 HA PHE A 37 3.298 7.168 -4.364 1.00 0.00 H new ATOM 0 HB2 PHE A 37 4.105 4.447 -5.520 1.00 0.00 H new ATOM 0 HB3 PHE A 37 4.367 4.871 -3.840 1.00 0.00 H new ATOM 0 HD1 PHE A 37 1.510 5.150 -6.235 1.00 0.00 H new ATOM 0 HD2 PHE A 37 2.840 3.919 -2.418 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -0.803 4.380 -5.680 1.00 0.00 H new ATOM 0 HE2 PHE A 37 0.527 3.147 -1.862 1.00 0.00 H new ATOM 0 HZ PHE A 37 -1.266 3.385 -3.499 1.00 0.00 H new ATOM 550 N SER A 38 5.784 7.072 -6.349 1.00 0.00 N ATOM 551 CA SER A 38 7.170 7.463 -6.545 1.00 0.00 C ATOM 552 C SER A 38 7.386 8.893 -6.046 1.00 0.00 C ATOM 553 O SER A 38 8.523 9.347 -5.927 1.00 0.00 O ATOM 554 CB SER A 38 7.571 7.348 -8.017 1.00 0.00 C ATOM 555 OG SER A 38 8.713 8.144 -8.323 1.00 0.00 O ATOM 0 H SER A 38 5.260 6.911 -7.209 1.00 0.00 H new ATOM 0 HA SER A 38 7.801 6.786 -5.970 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.782 6.305 -8.255 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.735 7.656 -8.646 1.00 0.00 H new ATOM 0 HG SER A 38 9.061 8.546 -7.500 1.00 0.00 H new ATOM 561 N LYS A 39 6.277 9.562 -5.768 1.00 0.00 N ATOM 562 CA LYS A 39 6.331 10.931 -5.284 1.00 0.00 C ATOM 563 C LYS A 39 6.240 10.932 -3.757 1.00 0.00 C ATOM 564 O LYS A 39 6.358 11.981 -3.125 1.00 0.00 O ATOM 565 CB LYS A 39 5.258 11.783 -5.965 1.00 0.00 C ATOM 566 CG LYS A 39 3.881 11.124 -5.850 1.00 0.00 C ATOM 567 CD LYS A 39 2.765 12.166 -5.943 1.00 0.00 C ATOM 568 CE LYS A 39 2.002 12.036 -7.263 1.00 0.00 C ATOM 569 NZ LYS A 39 1.004 13.121 -7.394 1.00 0.00 N ATOM 0 H LYS A 39 5.336 9.182 -5.869 1.00 0.00 H new ATOM 0 HA LYS A 39 7.284 11.390 -5.547 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.231 12.773 -5.509 1.00 0.00 H new ATOM 0 HB3 LYS A 39 5.512 11.923 -7.016 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.760 10.385 -6.642 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.807 10.590 -4.902 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.076 12.042 -5.107 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.189 13.167 -5.861 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.701 12.074 -8.099 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.503 11.068 -7.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 0.405 12.943 -8.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 0.411 13.152 -6.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.494 14.031 -7.509 1.00 0.00 H new ATOM 583 N TYR A 40 6.031 9.745 -3.208 1.00 0.00 N ATOM 584 CA TYR A 40 5.923 9.595 -1.767 1.00 0.00 C ATOM 585 C TYR A 40 7.135 8.854 -1.200 1.00 0.00 C ATOM 586 O TYR A 40 7.099 8.371 -0.069 1.00 0.00 O ATOM 587 CB TYR A 40 4.667 8.756 -1.523 1.00 0.00 C ATOM 588 CG TYR A 40 3.365 9.560 -1.555 1.00 0.00 C ATOM 589 CD1 TYR A 40 3.257 10.726 -0.825 1.00 0.00 C ATOM 590 CD2 TYR A 40 2.300 9.119 -2.313 1.00 0.00 C ATOM 591 CE1 TYR A 40 2.032 11.483 -0.855 1.00 0.00 C ATOM 592 CE2 TYR A 40 1.075 9.876 -2.343 1.00 0.00 C ATOM 593 CZ TYR A 40 1.002 11.020 -1.613 1.00 0.00 C ATOM 594 OH TYR A 40 -0.155 11.735 -1.641 1.00 0.00 O ATOM 0 H TYR A 40 5.933 8.877 -3.735 1.00 0.00 H new ATOM 0 HA TYR A 40 5.875 10.570 -1.283 1.00 0.00 H new ATOM 0 HB2 TYR A 40 4.615 7.970 -2.277 1.00 0.00 H new ATOM 0 HB3 TYR A 40 4.754 8.263 -0.555 1.00 0.00 H new ATOM 0 HD1 TYR A 40 4.091 11.071 -0.231 1.00 0.00 H new ATOM 0 HD2 TYR A 40 2.385 8.206 -2.884 1.00 0.00 H new ATOM 0 HE1 TYR A 40 1.934 12.397 -0.289 1.00 0.00 H new ATOM 0 HE2 TYR A 40 0.234 9.542 -2.932 1.00 0.00 H new ATOM 0 HH TYR A 40 -0.803 11.286 -2.224 1.00 0.00 H new ATOM 604 N GLY A 41 8.180 8.786 -2.012 1.00 0.00 N ATOM 605 CA GLY A 41 9.401 8.112 -1.605 1.00 0.00 C ATOM 606 C GLY A 41 9.805 7.047 -2.627 1.00 0.00 C ATOM 607 O GLY A 41 8.982 6.604 -3.426 1.00 0.00 O ATOM 0 H GLY A 41 8.206 9.187 -2.950 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.204 8.841 -1.497 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.257 7.649 -0.629 1.00 0.00 H new ATOM 611 N LYS A 42 11.073 6.667 -2.567 1.00 0.00 N ATOM 612 CA LYS A 42 11.597 5.663 -3.477 1.00 0.00 C ATOM 613 C LYS A 42 11.060 4.287 -3.076 1.00 0.00 C ATOM 614 O LYS A 42 11.122 3.910 -1.907 1.00 0.00 O ATOM 615 CB LYS A 42 13.124 5.734 -3.533 1.00 0.00 C ATOM 616 CG LYS A 42 13.703 4.523 -4.267 1.00 0.00 C ATOM 617 CD LYS A 42 15.230 4.602 -4.336 1.00 0.00 C ATOM 618 CE LYS A 42 15.771 3.756 -5.490 1.00 0.00 C ATOM 619 NZ LYS A 42 16.613 4.579 -6.386 1.00 0.00 N ATOM 0 H LYS A 42 11.753 7.036 -1.902 1.00 0.00 H new ATOM 0 HA LYS A 42 11.255 5.856 -4.494 1.00 0.00 H new ATOM 0 HB2 LYS A 42 13.431 6.650 -4.038 1.00 0.00 H new ATOM 0 HB3 LYS A 42 13.527 5.777 -2.521 1.00 0.00 H new ATOM 0 HG2 LYS A 42 13.405 3.607 -3.756 1.00 0.00 H new ATOM 0 HG3 LYS A 42 13.292 4.474 -5.275 1.00 0.00 H new ATOM 0 HD2 LYS A 42 15.539 5.639 -4.465 1.00 0.00 H new ATOM 0 HD3 LYS A 42 15.658 4.257 -3.395 1.00 0.00 H new ATOM 0 HE2 LYS A 42 16.354 2.924 -5.096 1.00 0.00 H new ATOM 0 HE3 LYS A 42 14.943 3.326 -6.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 16.972 3.989 -7.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 16.046 5.359 -6.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 17.414 4.969 -5.849 1.00 0.00 H new ATOM 633 N ILE A 43 10.544 3.576 -4.068 1.00 0.00 N ATOM 634 CA ILE A 43 9.996 2.251 -3.833 1.00 0.00 C ATOM 635 C ILE A 43 11.087 1.204 -4.066 1.00 0.00 C ATOM 636 O ILE A 43 11.819 1.275 -5.052 1.00 0.00 O ATOM 637 CB ILE A 43 8.742 2.032 -4.681 1.00 0.00 C ATOM 638 CG1 ILE A 43 7.667 3.069 -4.348 1.00 0.00 C ATOM 639 CG2 ILE A 43 8.223 0.600 -4.532 1.00 0.00 C ATOM 640 CD1 ILE A 43 6.509 2.998 -5.346 1.00 0.00 C ATOM 0 H ILE A 43 10.494 3.893 -5.036 1.00 0.00 H new ATOM 0 HA ILE A 43 9.673 2.150 -2.797 1.00 0.00 H new ATOM 0 HB ILE A 43 9.009 2.170 -5.729 1.00 0.00 H new ATOM 0 HG12 ILE A 43 7.293 2.899 -3.339 1.00 0.00 H new ATOM 0 HG13 ILE A 43 8.103 4.068 -4.362 1.00 0.00 H new ATOM 0 HG21 ILE A 43 7.331 0.471 -5.145 1.00 0.00 H new ATOM 0 HG22 ILE A 43 8.992 -0.101 -4.857 1.00 0.00 H new ATOM 0 HG23 ILE A 43 7.976 0.409 -3.488 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.759 3.745 -5.087 1.00 0.00 H new ATOM 0 HD12 ILE A 43 6.883 3.193 -6.351 1.00 0.00 H new ATOM 0 HD13 ILE A 43 6.060 2.006 -5.312 1.00 0.00 H new ATOM 652 N VAL A 44 11.162 0.258 -3.142 1.00 0.00 N ATOM 653 CA VAL A 44 12.151 -0.803 -3.235 1.00 0.00 C ATOM 654 C VAL A 44 11.449 -2.123 -3.559 1.00 0.00 C ATOM 655 O VAL A 44 12.035 -3.005 -4.184 1.00 0.00 O ATOM 656 CB VAL A 44 12.974 -0.864 -1.947 1.00 0.00 C ATOM 657 CG1 VAL A 44 13.556 0.508 -1.602 1.00 0.00 C ATOM 658 CG2 VAL A 44 12.140 -1.413 -0.788 1.00 0.00 C ATOM 0 H VAL A 44 10.554 0.204 -2.325 1.00 0.00 H new ATOM 0 HA VAL A 44 12.852 -0.601 -4.045 1.00 0.00 H new ATOM 0 HB VAL A 44 13.806 -1.548 -2.114 1.00 0.00 H new ATOM 0 HG11 VAL A 44 14.136 0.436 -0.682 1.00 0.00 H new ATOM 0 HG12 VAL A 44 14.202 0.844 -2.413 1.00 0.00 H new ATOM 0 HG13 VAL A 44 12.745 1.223 -1.464 1.00 0.00 H new ATOM 0 HG21 VAL A 44 12.749 -1.446 0.115 1.00 0.00 H new ATOM 0 HG22 VAL A 44 11.279 -0.766 -0.621 1.00 0.00 H new ATOM 0 HG23 VAL A 44 11.797 -2.419 -1.031 1.00 0.00 H new ATOM 668 N GLY A 45 10.202 -2.217 -3.120 1.00 0.00 N ATOM 669 CA GLY A 45 9.414 -3.414 -3.356 1.00 0.00 C ATOM 670 C GLY A 45 7.929 -3.074 -3.494 1.00 0.00 C ATOM 671 O GLY A 45 7.322 -2.536 -2.569 1.00 0.00 O ATOM 0 H GLY A 45 9.718 -1.483 -2.602 1.00 0.00 H new ATOM 0 HA2 GLY A 45 9.763 -3.911 -4.261 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.555 -4.115 -2.533 1.00 0.00 H new ATOM 675 N CYS A 46 7.385 -3.402 -4.657 1.00 0.00 N ATOM 676 CA CYS A 46 5.982 -3.139 -4.928 1.00 0.00 C ATOM 677 C CYS A 46 5.363 -4.403 -5.528 1.00 0.00 C ATOM 678 O CYS A 46 6.027 -5.137 -6.258 1.00 0.00 O ATOM 679 CB CYS A 46 5.801 -1.925 -5.842 1.00 0.00 C ATOM 680 SG CYS A 46 6.183 -2.383 -7.573 1.00 0.00 S ATOM 0 H CYS A 46 7.891 -3.848 -5.422 1.00 0.00 H new ATOM 0 HA CYS A 46 5.469 -2.891 -3.998 1.00 0.00 H new ATOM 0 HB2 CYS A 46 4.778 -1.556 -5.772 1.00 0.00 H new ATOM 0 HB3 CYS A 46 6.455 -1.115 -5.519 1.00 0.00 H new ATOM 0 HG CYS A 46 6.387 -3.665 -7.648 1.00 0.00 H new ATOM 686 N SER A 47 4.098 -4.618 -5.197 1.00 0.00 N ATOM 687 CA SER A 47 3.382 -5.780 -5.694 1.00 0.00 C ATOM 688 C SER A 47 1.894 -5.455 -5.842 1.00 0.00 C ATOM 689 O SER A 47 1.275 -4.929 -4.918 1.00 0.00 O ATOM 690 CB SER A 47 3.573 -6.982 -4.767 1.00 0.00 C ATOM 691 OG SER A 47 4.827 -6.943 -4.093 1.00 0.00 O ATOM 0 H SER A 47 3.551 -4.007 -4.591 1.00 0.00 H new ATOM 0 HA SER A 47 3.789 -6.040 -6.671 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.768 -7.005 -4.033 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.502 -7.902 -5.347 1.00 0.00 H new ATOM 0 HG SER A 47 4.910 -7.726 -3.510 1.00 0.00 H new ATOM 697 N VAL A 48 1.363 -5.780 -7.012 1.00 0.00 N ATOM 698 CA VAL A 48 -0.040 -5.529 -7.293 1.00 0.00 C ATOM 699 C VAL A 48 -0.748 -6.858 -7.559 1.00 0.00 C ATOM 700 O VAL A 48 -0.420 -7.560 -8.515 1.00 0.00 O ATOM 701 CB VAL A 48 -0.173 -4.538 -8.451 1.00 0.00 C ATOM 702 CG1 VAL A 48 -1.643 -4.257 -8.766 1.00 0.00 C ATOM 703 CG2 VAL A 48 0.582 -3.241 -8.152 1.00 0.00 C ATOM 0 H VAL A 48 1.880 -6.215 -7.776 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.525 -5.069 -6.432 1.00 0.00 H new ATOM 0 HB VAL A 48 0.277 -4.992 -9.334 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -1.709 -3.550 -9.593 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -2.140 -5.187 -9.043 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -2.129 -3.834 -7.887 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.471 -2.554 -8.991 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.175 -2.782 -7.251 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.639 -3.462 -8.001 1.00 0.00 H new ATOM 713 N HIS A 49 -1.706 -7.165 -6.697 1.00 0.00 N ATOM 714 CA HIS A 49 -2.464 -8.398 -6.827 1.00 0.00 C ATOM 715 C HIS A 49 -3.934 -8.071 -7.096 1.00 0.00 C ATOM 716 O HIS A 49 -4.515 -7.214 -6.433 1.00 0.00 O ATOM 717 CB HIS A 49 -2.270 -9.287 -5.597 1.00 0.00 C ATOM 718 CG HIS A 49 -0.830 -9.437 -5.169 1.00 0.00 C ATOM 719 ND1 HIS A 49 0.052 -10.302 -5.794 1.00 0.00 N ATOM 720 CD2 HIS A 49 -0.128 -8.824 -4.173 1.00 0.00 C ATOM 721 CE1 HIS A 49 1.229 -10.206 -5.192 1.00 0.00 C ATOM 722 NE2 HIS A 49 1.115 -9.290 -4.188 1.00 0.00 N ATOM 0 H HIS A 49 -1.975 -6.581 -5.905 1.00 0.00 H new ATOM 0 HA HIS A 49 -2.093 -8.969 -7.678 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -2.844 -8.873 -4.768 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -2.681 -10.275 -5.807 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -0.517 -8.085 -3.488 1.00 0.00 H new ATOM 0 HE1 HIS A 49 2.121 -10.756 -5.451 1.00 0.00 H new ATOM 0 HE2 HIS A 49 1.862 -9.009 -3.553 1.00 0.00 H new ATOM 730 N LYS A 50 -4.494 -8.772 -8.071 1.00 0.00 N ATOM 731 CA LYS A 50 -5.885 -8.568 -8.437 1.00 0.00 C ATOM 732 C LYS A 50 -6.738 -8.513 -7.168 1.00 0.00 C ATOM 733 O LYS A 50 -7.135 -9.549 -6.637 1.00 0.00 O ATOM 734 CB LYS A 50 -6.338 -9.633 -9.437 1.00 0.00 C ATOM 735 CG LYS A 50 -6.347 -9.077 -10.863 1.00 0.00 C ATOM 736 CD LYS A 50 -7.208 -9.945 -11.784 1.00 0.00 C ATOM 737 CE LYS A 50 -6.474 -11.230 -12.171 1.00 0.00 C ATOM 738 NZ LYS A 50 -6.533 -11.441 -13.634 1.00 0.00 N ATOM 0 H LYS A 50 -4.009 -9.482 -8.619 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.009 -7.613 -8.947 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -5.672 -10.495 -9.383 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -7.336 -9.984 -9.173 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -6.729 -8.056 -10.857 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -5.328 -9.033 -11.247 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -8.144 -10.193 -11.285 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -7.465 -9.384 -12.683 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -5.435 -11.173 -11.848 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -6.922 -12.080 -11.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -6.030 -12.318 -13.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -7.526 -11.516 -13.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -6.085 -10.638 -14.119 1.00 0.00 H new ATOM 752 N GLY A 51 -6.996 -7.293 -6.719 1.00 0.00 N ATOM 753 CA GLY A 51 -7.795 -7.090 -5.523 1.00 0.00 C ATOM 754 C GLY A 51 -7.126 -6.086 -4.581 1.00 0.00 C ATOM 755 O GLY A 51 -7.805 -5.371 -3.846 1.00 0.00 O ATOM 0 H GLY A 51 -6.666 -6.436 -7.162 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.786 -6.730 -5.800 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -7.934 -8.041 -5.008 1.00 0.00 H new ATOM 759 N PHE A 52 -5.802 -6.066 -4.633 1.00 0.00 N ATOM 760 CA PHE A 52 -5.034 -5.163 -3.793 1.00 0.00 C ATOM 761 C PHE A 52 -3.608 -5.001 -4.323 1.00 0.00 C ATOM 762 O PHE A 52 -3.316 -5.383 -5.456 1.00 0.00 O ATOM 763 CB PHE A 52 -4.979 -5.787 -2.398 1.00 0.00 C ATOM 764 CG PHE A 52 -4.281 -7.148 -2.352 1.00 0.00 C ATOM 765 CD1 PHE A 52 -4.959 -8.272 -2.706 1.00 0.00 C ATOM 766 CD2 PHE A 52 -2.983 -7.233 -1.956 1.00 0.00 C ATOM 767 CE1 PHE A 52 -4.311 -9.535 -2.664 1.00 0.00 C ATOM 768 CE2 PHE A 52 -2.335 -8.496 -1.913 1.00 0.00 C ATOM 769 CZ PHE A 52 -3.013 -9.620 -2.268 1.00 0.00 C ATOM 0 H PHE A 52 -5.242 -6.661 -5.244 1.00 0.00 H new ATOM 0 HA PHE A 52 -5.502 -4.179 -3.780 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -4.463 -5.102 -1.725 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.996 -5.899 -2.021 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -5.990 -8.204 -3.019 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.445 -6.340 -1.674 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -4.849 -10.428 -2.947 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -1.304 -8.564 -1.598 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.520 -10.581 -2.235 1.00 0.00 H new ATOM 779 N ALA A 53 -2.758 -4.435 -3.479 1.00 0.00 N ATOM 780 CA ALA A 53 -1.369 -4.219 -3.848 1.00 0.00 C ATOM 781 C ALA A 53 -0.580 -3.778 -2.614 1.00 0.00 C ATOM 782 O ALA A 53 -1.160 -3.300 -1.640 1.00 0.00 O ATOM 783 CB ALA A 53 -1.296 -3.195 -4.983 1.00 0.00 C ATOM 0 H ALA A 53 -3.004 -4.119 -2.541 1.00 0.00 H new ATOM 0 HA ALA A 53 -0.921 -5.143 -4.213 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.254 -3.033 -5.260 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.847 -3.569 -5.846 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -1.734 -2.253 -4.652 1.00 0.00 H new ATOM 789 N PHE A 54 0.730 -3.956 -2.694 1.00 0.00 N ATOM 790 CA PHE A 54 1.604 -3.583 -1.595 1.00 0.00 C ATOM 791 C PHE A 54 2.815 -2.795 -2.100 1.00 0.00 C ATOM 792 O PHE A 54 3.372 -3.111 -3.150 1.00 0.00 O ATOM 793 CB PHE A 54 2.090 -4.882 -0.949 1.00 0.00 C ATOM 794 CG PHE A 54 1.297 -5.295 0.292 1.00 0.00 C ATOM 795 CD1 PHE A 54 0.088 -5.903 0.155 1.00 0.00 C ATOM 796 CD2 PHE A 54 1.799 -5.053 1.532 1.00 0.00 C ATOM 797 CE1 PHE A 54 -0.649 -6.286 1.307 1.00 0.00 C ATOM 798 CE2 PHE A 54 1.063 -5.436 2.684 1.00 0.00 C ATOM 799 CZ PHE A 54 -0.146 -6.045 2.547 1.00 0.00 C ATOM 0 H PHE A 54 1.208 -4.354 -3.503 1.00 0.00 H new ATOM 0 HA PHE A 54 1.064 -2.954 -0.888 1.00 0.00 H new ATOM 0 HB2 PHE A 54 2.036 -5.684 -1.685 1.00 0.00 H new ATOM 0 HB3 PHE A 54 3.139 -4.770 -0.676 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -0.312 -6.095 -0.830 1.00 0.00 H new ATOM 0 HD2 PHE A 54 2.758 -4.569 1.641 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -1.609 -6.769 1.198 1.00 0.00 H new ATOM 0 HE2 PHE A 54 1.463 -5.244 3.669 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.706 -6.337 3.423 1.00 0.00 H new ATOM 809 N VAL A 55 3.186 -1.783 -1.329 1.00 0.00 N ATOM 810 CA VAL A 55 4.320 -0.947 -1.686 1.00 0.00 C ATOM 811 C VAL A 55 5.322 -0.935 -0.530 1.00 0.00 C ATOM 812 O VAL A 55 4.936 -1.053 0.632 1.00 0.00 O ATOM 813 CB VAL A 55 3.837 0.452 -2.073 1.00 0.00 C ATOM 814 CG1 VAL A 55 4.987 1.460 -2.029 1.00 0.00 C ATOM 815 CG2 VAL A 55 3.170 0.440 -3.450 1.00 0.00 C ATOM 0 H VAL A 55 2.722 -1.523 -0.459 1.00 0.00 H new ATOM 0 HA VAL A 55 4.834 -1.352 -2.558 1.00 0.00 H new ATOM 0 HB VAL A 55 3.091 0.763 -1.342 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.617 2.447 -2.308 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.398 1.499 -1.020 1.00 0.00 H new ATOM 0 HG13 VAL A 55 5.766 1.154 -2.727 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.836 1.447 -3.701 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.885 0.098 -4.198 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.313 -0.233 -3.433 1.00 0.00 H new ATOM 825 N GLN A 56 6.589 -0.792 -0.889 1.00 0.00 N ATOM 826 CA GLN A 56 7.650 -0.763 0.104 1.00 0.00 C ATOM 827 C GLN A 56 8.618 0.386 -0.187 1.00 0.00 C ATOM 828 O GLN A 56 9.412 0.312 -1.123 1.00 0.00 O ATOM 829 CB GLN A 56 8.388 -2.102 0.156 1.00 0.00 C ATOM 830 CG GLN A 56 9.568 -2.039 1.128 1.00 0.00 C ATOM 831 CD GLN A 56 9.302 -2.894 2.369 1.00 0.00 C ATOM 832 OE1 GLN A 56 8.546 -3.851 2.345 1.00 0.00 O ATOM 833 NE2 GLN A 56 9.963 -2.495 3.452 1.00 0.00 N ATOM 0 H GLN A 56 6.905 -0.695 -1.854 1.00 0.00 H new ATOM 0 HA GLN A 56 7.201 -0.595 1.083 1.00 0.00 H new ATOM 0 HB2 GLN A 56 7.700 -2.889 0.464 1.00 0.00 H new ATOM 0 HB3 GLN A 56 8.746 -2.363 -0.840 1.00 0.00 H new ATOM 0 HG2 GLN A 56 10.473 -2.386 0.630 1.00 0.00 H new ATOM 0 HG3 GLN A 56 9.744 -1.005 1.425 1.00 0.00 H new ATOM 0 HE21 GLN A 56 10.581 -1.685 3.403 1.00 0.00 H new ATOM 0 HE22 GLN A 56 9.852 -2.999 4.332 1.00 0.00 H new ATOM 842 N TYR A 57 8.519 1.422 0.633 1.00 0.00 N ATOM 843 CA TYR A 57 9.376 2.585 0.476 1.00 0.00 C ATOM 844 C TYR A 57 10.739 2.354 1.131 1.00 0.00 C ATOM 845 O TYR A 57 10.934 1.365 1.836 1.00 0.00 O ATOM 846 CB TYR A 57 8.665 3.733 1.197 1.00 0.00 C ATOM 847 CG TYR A 57 7.392 4.213 0.497 1.00 0.00 C ATOM 848 CD1 TYR A 57 6.207 3.530 0.677 1.00 0.00 C ATOM 849 CD2 TYR A 57 7.429 5.330 -0.313 1.00 0.00 C ATOM 850 CE1 TYR A 57 5.008 3.982 0.018 1.00 0.00 C ATOM 851 CE2 TYR A 57 6.231 5.782 -0.971 1.00 0.00 C ATOM 852 CZ TYR A 57 5.080 5.086 -0.773 1.00 0.00 C ATOM 853 OH TYR A 57 3.948 5.513 -1.395 1.00 0.00 O ATOM 0 H TYR A 57 7.858 1.480 1.408 1.00 0.00 H new ATOM 0 HA TYR A 57 9.547 2.796 -0.580 1.00 0.00 H new ATOM 0 HB2 TYR A 57 8.413 3.413 2.208 1.00 0.00 H new ATOM 0 HB3 TYR A 57 9.354 4.572 1.291 1.00 0.00 H new ATOM 0 HD1 TYR A 57 6.178 2.657 1.312 1.00 0.00 H new ATOM 0 HD2 TYR A 57 8.357 5.865 -0.453 1.00 0.00 H new ATOM 0 HE1 TYR A 57 4.074 3.456 0.149 1.00 0.00 H new ATOM 0 HE2 TYR A 57 6.246 6.654 -1.608 1.00 0.00 H new ATOM 0 HH TYR A 57 3.218 4.884 -1.214 1.00 0.00 H new ATOM 863 N VAL A 58 11.648 3.283 0.874 1.00 0.00 N ATOM 864 CA VAL A 58 12.988 3.193 1.429 1.00 0.00 C ATOM 865 C VAL A 58 12.929 3.451 2.936 1.00 0.00 C ATOM 866 O VAL A 58 13.646 2.814 3.707 1.00 0.00 O ATOM 867 CB VAL A 58 13.925 4.155 0.694 1.00 0.00 C ATOM 868 CG1 VAL A 58 15.061 4.619 1.608 1.00 0.00 C ATOM 869 CG2 VAL A 58 14.474 3.516 -0.583 1.00 0.00 C ATOM 0 H VAL A 58 11.483 4.102 0.289 1.00 0.00 H new ATOM 0 HA VAL A 58 13.394 2.192 1.286 1.00 0.00 H new ATOM 0 HB VAL A 58 13.347 5.033 0.407 1.00 0.00 H new ATOM 0 HG11 VAL A 58 15.712 5.301 1.062 1.00 0.00 H new ATOM 0 HG12 VAL A 58 14.644 5.131 2.475 1.00 0.00 H new ATOM 0 HG13 VAL A 58 15.637 3.755 1.939 1.00 0.00 H new ATOM 0 HG21 VAL A 58 15.137 4.220 -1.086 1.00 0.00 H new ATOM 0 HG22 VAL A 58 15.029 2.613 -0.328 1.00 0.00 H new ATOM 0 HG23 VAL A 58 13.648 3.259 -1.245 1.00 0.00 H new ATOM 879 N ASN A 59 12.068 4.385 3.311 1.00 0.00 N ATOM 880 CA ASN A 59 11.906 4.735 4.712 1.00 0.00 C ATOM 881 C ASN A 59 10.422 4.678 5.079 1.00 0.00 C ATOM 882 O ASN A 59 9.563 4.626 4.200 1.00 0.00 O ATOM 883 CB ASN A 59 12.407 6.154 4.987 1.00 0.00 C ATOM 884 CG ASN A 59 13.848 6.330 4.503 1.00 0.00 C ATOM 885 OD1 ASN A 59 14.748 5.594 4.871 1.00 0.00 O ATOM 886 ND2 ASN A 59 14.015 7.344 3.659 1.00 0.00 N ATOM 0 H ASN A 59 11.475 4.911 2.669 1.00 0.00 H new ATOM 0 HA ASN A 59 12.485 4.027 5.305 1.00 0.00 H new ATOM 0 HB2 ASN A 59 11.761 6.875 4.486 1.00 0.00 H new ATOM 0 HB3 ASN A 59 12.350 6.363 6.055 1.00 0.00 H new ATOM 0 HD21 ASN A 59 14.940 7.544 3.279 1.00 0.00 H new ATOM 0 HD22 ASN A 59 13.218 7.922 3.392 1.00 0.00 H new ATOM 893 N GLU A 60 10.166 4.690 6.379 1.00 0.00 N ATOM 894 CA GLU A 60 8.800 4.640 6.873 1.00 0.00 C ATOM 895 C GLU A 60 8.116 5.995 6.678 1.00 0.00 C ATOM 896 O GLU A 60 7.053 6.075 6.064 1.00 0.00 O ATOM 897 CB GLU A 60 8.763 4.214 8.342 1.00 0.00 C ATOM 898 CG GLU A 60 7.372 3.713 8.733 1.00 0.00 C ATOM 899 CD GLU A 60 6.342 4.843 8.662 1.00 0.00 C ATOM 900 OE1 GLU A 60 6.355 5.682 9.588 1.00 0.00 O ATOM 901 OE2 GLU A 60 5.566 4.842 7.682 1.00 0.00 O ATOM 0 H GLU A 60 10.881 4.734 7.105 1.00 0.00 H new ATOM 0 HA GLU A 60 8.254 3.892 6.298 1.00 0.00 H new ATOM 0 HB2 GLU A 60 9.498 3.428 8.515 1.00 0.00 H new ATOM 0 HB3 GLU A 60 9.041 5.056 8.976 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.074 2.902 8.069 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.399 3.304 9.743 1.00 0.00 H new ATOM 908 N ARG A 61 8.753 7.026 7.213 1.00 0.00 N ATOM 909 CA ARG A 61 8.219 8.373 7.105 1.00 0.00 C ATOM 910 C ARG A 61 7.676 8.618 5.696 1.00 0.00 C ATOM 911 O ARG A 61 6.745 9.401 5.513 1.00 0.00 O ATOM 912 CB ARG A 61 9.292 9.418 7.419 1.00 0.00 C ATOM 913 CG ARG A 61 9.563 9.491 8.923 1.00 0.00 C ATOM 914 CD ARG A 61 10.044 10.886 9.326 1.00 0.00 C ATOM 915 NE ARG A 61 10.928 10.794 10.509 1.00 0.00 N ATOM 916 CZ ARG A 61 11.375 11.854 11.198 1.00 0.00 C ATOM 917 NH1 ARG A 61 11.022 13.092 10.826 1.00 0.00 N ATOM 918 NH2 ARG A 61 12.174 11.675 12.259 1.00 0.00 N ATOM 0 H ARG A 61 9.634 6.956 7.722 1.00 0.00 H new ATOM 0 HA ARG A 61 7.411 8.468 7.831 1.00 0.00 H new ATOM 0 HB2 ARG A 61 10.213 9.169 6.892 1.00 0.00 H new ATOM 0 HB3 ARG A 61 8.971 10.394 7.056 1.00 0.00 H new ATOM 0 HG2 ARG A 61 8.655 9.243 9.472 1.00 0.00 H new ATOM 0 HG3 ARG A 61 10.314 8.750 9.197 1.00 0.00 H new ATOM 0 HD2 ARG A 61 10.579 11.349 8.497 1.00 0.00 H new ATOM 0 HD3 ARG A 61 9.189 11.524 9.549 1.00 0.00 H new ATOM 0 HE ARG A 61 11.215 9.866 10.820 1.00 0.00 H new ATOM 0 HH11 ARG A 61 10.413 13.228 10.019 1.00 0.00 H new ATOM 0 HH12 ARG A 61 11.362 13.898 11.350 1.00 0.00 H new ATOM 0 HH21 ARG A 61 12.442 10.733 12.542 1.00 0.00 H new ATOM 0 HH22 ARG A 61 12.514 12.481 12.783 1.00 0.00 H new ATOM 932 N ASN A 62 8.280 7.933 4.736 1.00 0.00 N ATOM 933 CA ASN A 62 7.868 8.066 3.349 1.00 0.00 C ATOM 934 C ASN A 62 6.596 7.248 3.118 1.00 0.00 C ATOM 935 O ASN A 62 5.625 7.750 2.554 1.00 0.00 O ATOM 936 CB ASN A 62 8.948 7.540 2.401 1.00 0.00 C ATOM 937 CG ASN A 62 10.143 8.493 2.348 1.00 0.00 C ATOM 938 OD1 ASN A 62 11.244 8.174 2.766 1.00 0.00 O ATOM 939 ND2 ASN A 62 9.867 9.678 1.811 1.00 0.00 N ATOM 0 H ASN A 62 9.052 7.284 4.891 1.00 0.00 H new ATOM 0 HA ASN A 62 7.696 9.123 3.148 1.00 0.00 H new ATOM 0 HB2 ASN A 62 9.278 6.555 2.731 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.531 7.418 1.401 1.00 0.00 H new ATOM 0 HD21 ASN A 62 10.599 10.384 1.730 1.00 0.00 H new ATOM 0 HD22 ASN A 62 8.924 9.881 1.480 1.00 0.00 H new ATOM 946 N ALA A 63 6.644 6.002 3.565 1.00 0.00 N ATOM 947 CA ALA A 63 5.507 5.109 3.414 1.00 0.00 C ATOM 948 C ALA A 63 4.260 5.774 4.001 1.00 0.00 C ATOM 949 O ALA A 63 3.310 6.068 3.278 1.00 0.00 O ATOM 950 CB ALA A 63 5.820 3.767 4.079 1.00 0.00 C ATOM 0 H ALA A 63 7.452 5.589 4.032 1.00 0.00 H new ATOM 0 HA ALA A 63 5.311 4.913 2.360 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.967 3.097 3.966 1.00 0.00 H new ATOM 0 HB2 ALA A 63 6.696 3.322 3.607 1.00 0.00 H new ATOM 0 HB3 ALA A 63 6.020 3.924 5.139 1.00 0.00 H new ATOM 956 N ARG A 64 4.304 5.991 5.308 1.00 0.00 N ATOM 957 CA ARG A 64 3.190 6.616 6.000 1.00 0.00 C ATOM 958 C ARG A 64 2.668 7.809 5.198 1.00 0.00 C ATOM 959 O ARG A 64 1.468 8.078 5.188 1.00 0.00 O ATOM 960 CB ARG A 64 3.604 7.090 7.395 1.00 0.00 C ATOM 961 CG ARG A 64 2.557 8.035 7.986 1.00 0.00 C ATOM 962 CD ARG A 64 2.976 8.517 9.377 1.00 0.00 C ATOM 963 NE ARG A 64 2.314 9.804 9.687 1.00 0.00 N ATOM 964 CZ ARG A 64 2.542 10.517 10.799 1.00 0.00 C ATOM 965 NH1 ARG A 64 3.415 10.072 11.712 1.00 0.00 N ATOM 966 NH2 ARG A 64 1.896 11.674 10.996 1.00 0.00 N ATOM 0 H ARG A 64 5.093 5.745 5.905 1.00 0.00 H new ATOM 0 HA ARG A 64 2.402 5.869 6.101 1.00 0.00 H new ATOM 0 HB2 ARG A 64 3.734 6.230 8.051 1.00 0.00 H new ATOM 0 HB3 ARG A 64 4.567 7.597 7.340 1.00 0.00 H new ATOM 0 HG2 ARG A 64 2.421 8.892 7.326 1.00 0.00 H new ATOM 0 HG3 ARG A 64 1.596 7.525 8.048 1.00 0.00 H new ATOM 0 HD2 ARG A 64 2.708 7.771 10.125 1.00 0.00 H new ATOM 0 HD3 ARG A 64 4.059 8.636 9.419 1.00 0.00 H new ATOM 0 HE ARG A 64 1.643 10.171 9.013 1.00 0.00 H new ATOM 0 HH11 ARG A 64 3.906 9.191 11.561 1.00 0.00 H new ATOM 0 HH12 ARG A 64 3.589 10.614 12.558 1.00 0.00 H new ATOM 0 HH21 ARG A 64 1.231 12.012 10.300 1.00 0.00 H new ATOM 0 HH22 ARG A 64 2.069 12.217 11.842 1.00 0.00 H new ATOM 980 N ALA A 65 3.596 8.493 4.544 1.00 0.00 N ATOM 981 CA ALA A 65 3.244 9.652 3.741 1.00 0.00 C ATOM 982 C ALA A 65 2.137 9.268 2.757 1.00 0.00 C ATOM 983 O ALA A 65 1.029 9.799 2.826 1.00 0.00 O ATOM 984 CB ALA A 65 4.494 10.182 3.034 1.00 0.00 C ATOM 0 H ALA A 65 4.591 8.267 4.554 1.00 0.00 H new ATOM 0 HA ALA A 65 2.861 10.454 4.372 1.00 0.00 H new ATOM 0 HB1 ALA A 65 4.230 11.051 2.432 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.239 10.468 3.777 1.00 0.00 H new ATOM 0 HB3 ALA A 65 4.904 9.405 2.389 1.00 0.00 H new ATOM 990 N ALA A 66 2.475 8.349 1.865 1.00 0.00 N ATOM 991 CA ALA A 66 1.523 7.888 0.868 1.00 0.00 C ATOM 992 C ALA A 66 0.272 7.357 1.571 1.00 0.00 C ATOM 993 O ALA A 66 -0.845 7.753 1.241 1.00 0.00 O ATOM 994 CB ALA A 66 2.184 6.833 -0.020 1.00 0.00 C ATOM 0 H ALA A 66 3.395 7.911 1.811 1.00 0.00 H new ATOM 0 HA ALA A 66 1.215 8.711 0.223 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.470 6.487 -0.768 1.00 0.00 H new ATOM 0 HB2 ALA A 66 3.050 7.268 -0.519 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.504 5.990 0.593 1.00 0.00 H new ATOM 1000 N VAL A 67 0.502 6.469 2.528 1.00 0.00 N ATOM 1001 CA VAL A 67 -0.593 5.880 3.280 1.00 0.00 C ATOM 1002 C VAL A 67 -1.543 6.987 3.741 1.00 0.00 C ATOM 1003 O VAL A 67 -2.735 6.748 3.930 1.00 0.00 O ATOM 1004 CB VAL A 67 -0.042 5.044 4.437 1.00 0.00 C ATOM 1005 CG1 VAL A 67 -1.145 4.704 5.442 1.00 0.00 C ATOM 1006 CG2 VAL A 67 0.641 3.776 3.922 1.00 0.00 C ATOM 0 H VAL A 67 1.430 6.144 2.799 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.168 5.201 2.650 1.00 0.00 H new ATOM 0 HB VAL A 67 0.709 5.642 4.953 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -0.727 4.109 6.254 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -1.566 5.625 5.846 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -1.929 4.135 4.943 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.023 3.201 4.765 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -0.080 3.174 3.369 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.467 4.049 3.265 1.00 0.00 H new ATOM 1016 N ALA A 68 -0.980 8.174 3.910 1.00 0.00 N ATOM 1017 CA ALA A 68 -1.762 9.318 4.346 1.00 0.00 C ATOM 1018 C ALA A 68 -2.241 10.099 3.120 1.00 0.00 C ATOM 1019 O ALA A 68 -3.335 10.661 3.127 1.00 0.00 O ATOM 1020 CB ALA A 68 -0.925 10.178 5.294 1.00 0.00 C ATOM 0 H ALA A 68 0.009 8.368 3.753 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.645 8.992 4.896 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.512 11.036 5.621 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -0.634 9.586 6.162 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -0.031 10.526 4.776 1.00 0.00 H new ATOM 1026 N GLY A 69 -1.398 10.110 2.098 1.00 0.00 N ATOM 1027 CA GLY A 69 -1.721 10.813 0.868 1.00 0.00 C ATOM 1028 C GLY A 69 -2.549 9.929 -0.067 1.00 0.00 C ATOM 1029 O GLY A 69 -3.753 10.131 -0.214 1.00 0.00 O ATOM 0 H GLY A 69 -0.491 9.643 2.097 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -2.275 11.723 1.100 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -0.802 11.118 0.367 1.00 0.00 H new ATOM 1033 N GLU A 70 -1.870 8.967 -0.675 1.00 0.00 N ATOM 1034 CA GLU A 70 -2.528 8.051 -1.591 1.00 0.00 C ATOM 1035 C GLU A 70 -3.919 7.687 -1.070 1.00 0.00 C ATOM 1036 O GLU A 70 -4.928 8.113 -1.631 1.00 0.00 O ATOM 1037 CB GLU A 70 -1.680 6.797 -1.816 1.00 0.00 C ATOM 1038 CG GLU A 70 -1.096 6.776 -3.230 1.00 0.00 C ATOM 1039 CD GLU A 70 -2.163 6.393 -4.258 1.00 0.00 C ATOM 1040 OE1 GLU A 70 -2.667 5.254 -4.156 1.00 0.00 O ATOM 1041 OE2 GLU A 70 -2.450 7.249 -5.123 1.00 0.00 O ATOM 0 H GLU A 70 -0.871 8.802 -0.551 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.642 8.550 -2.554 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -0.872 6.764 -1.085 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -2.290 5.908 -1.658 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.687 7.757 -3.473 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.270 6.066 -3.276 1.00 0.00 H new ATOM 1048 N ASP A 71 -3.930 6.901 -0.003 1.00 0.00 N ATOM 1049 CA ASP A 71 -5.181 6.474 0.600 1.00 0.00 C ATOM 1050 C ASP A 71 -6.186 7.628 0.550 1.00 0.00 C ATOM 1051 O ASP A 71 -5.952 8.685 1.133 1.00 0.00 O ATOM 1052 CB ASP A 71 -4.981 6.084 2.065 1.00 0.00 C ATOM 1053 CG ASP A 71 -6.268 5.781 2.835 1.00 0.00 C ATOM 1054 OD1 ASP A 71 -6.813 4.677 2.618 1.00 0.00 O ATOM 1055 OD2 ASP A 71 -6.679 6.660 3.623 1.00 0.00 O ATOM 0 H ASP A 71 -3.092 6.549 0.459 1.00 0.00 H new ATOM 0 HA ASP A 71 -5.546 5.611 0.044 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -4.335 5.207 2.107 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.454 6.892 2.572 1.00 0.00 H new ATOM 1060 N GLY A 72 -7.283 7.385 -0.152 1.00 0.00 N ATOM 1061 CA GLY A 72 -8.324 8.390 -0.286 1.00 0.00 C ATOM 1062 C GLY A 72 -8.264 9.062 -1.659 1.00 0.00 C ATOM 1063 O GLY A 72 -8.668 10.214 -1.808 1.00 0.00 O ATOM 0 H GLY A 72 -7.474 6.507 -0.634 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -9.301 7.928 -0.146 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -8.212 9.141 0.496 1.00 0.00 H new ATOM 1067 N ARG A 73 -7.757 8.313 -2.627 1.00 0.00 N ATOM 1068 CA ARG A 73 -7.639 8.822 -3.983 1.00 0.00 C ATOM 1069 C ARG A 73 -8.619 8.098 -4.909 1.00 0.00 C ATOM 1070 O ARG A 73 -8.793 6.885 -4.808 1.00 0.00 O ATOM 1071 CB ARG A 73 -6.217 8.643 -4.517 1.00 0.00 C ATOM 1072 CG ARG A 73 -5.761 9.882 -5.290 1.00 0.00 C ATOM 1073 CD ARG A 73 -4.399 9.648 -5.947 1.00 0.00 C ATOM 1074 NE ARG A 73 -3.889 10.914 -6.519 1.00 0.00 N ATOM 1075 CZ ARG A 73 -2.592 11.175 -6.730 1.00 0.00 C ATOM 1076 NH1 ARG A 73 -1.665 10.259 -6.417 1.00 0.00 N ATOM 1077 NH2 ARG A 73 -2.221 12.351 -7.254 1.00 0.00 N ATOM 0 H ARG A 73 -7.423 7.358 -2.499 1.00 0.00 H new ATOM 0 HA ARG A 73 -7.875 9.886 -3.959 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -5.534 8.456 -3.688 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -6.176 7.769 -5.167 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -6.499 10.131 -6.053 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -5.701 10.735 -4.614 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -3.693 9.261 -5.212 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -4.488 8.895 -6.730 1.00 0.00 H new ATOM 0 HE ARG A 73 -4.568 11.633 -6.768 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -1.947 9.364 -6.018 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -0.677 10.457 -6.578 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -2.926 13.048 -7.493 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -1.233 12.549 -7.414 1.00 0.00 H new ATOM 1091 N MET A 74 -9.234 8.874 -5.790 1.00 0.00 N ATOM 1092 CA MET A 74 -10.192 8.322 -6.732 1.00 0.00 C ATOM 1093 C MET A 74 -9.501 7.888 -8.026 1.00 0.00 C ATOM 1094 O MET A 74 -9.344 8.687 -8.949 1.00 0.00 O ATOM 1095 CB MET A 74 -11.259 9.372 -7.050 1.00 0.00 C ATOM 1096 CG MET A 74 -12.665 8.801 -6.857 1.00 0.00 C ATOM 1097 SD MET A 74 -13.880 10.096 -7.037 1.00 0.00 S ATOM 1098 CE MET A 74 -15.377 9.151 -6.811 1.00 0.00 C ATOM 0 H MET A 74 -9.087 9.880 -5.871 1.00 0.00 H new ATOM 0 HA MET A 74 -10.656 7.446 -6.278 1.00 0.00 H new ATOM 0 HB2 MET A 74 -11.124 10.240 -6.405 1.00 0.00 H new ATOM 0 HB3 MET A 74 -11.140 9.717 -8.077 1.00 0.00 H new ATOM 0 HG2 MET A 74 -12.850 8.013 -7.588 1.00 0.00 H new ATOM 0 HG3 MET A 74 -12.749 8.346 -5.870 1.00 0.00 H new ATOM 0 HE1 MET A 74 -16.171 9.807 -6.454 1.00 0.00 H new ATOM 0 HE2 MET A 74 -15.674 8.706 -7.761 1.00 0.00 H new ATOM 0 HE3 MET A 74 -15.202 8.362 -6.080 1.00 0.00 H new ATOM 1108 N ILE A 75 -9.105 6.624 -8.053 1.00 0.00 N ATOM 1109 CA ILE A 75 -8.434 6.075 -9.219 1.00 0.00 C ATOM 1110 C ILE A 75 -9.412 5.192 -9.996 1.00 0.00 C ATOM 1111 O ILE A 75 -9.900 4.191 -9.474 1.00 0.00 O ATOM 1112 CB ILE A 75 -7.149 5.354 -8.807 1.00 0.00 C ATOM 1113 CG1 ILE A 75 -6.018 5.640 -9.797 1.00 0.00 C ATOM 1114 CG2 ILE A 75 -7.393 3.853 -8.634 1.00 0.00 C ATOM 1115 CD1 ILE A 75 -5.184 6.841 -9.345 1.00 0.00 C ATOM 0 H ILE A 75 -9.236 5.964 -7.286 1.00 0.00 H new ATOM 0 HA ILE A 75 -8.123 6.875 -9.891 1.00 0.00 H new ATOM 0 HB ILE A 75 -6.835 5.743 -7.838 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -5.378 4.762 -9.887 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -6.435 5.834 -10.785 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -6.464 3.365 -8.341 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -8.146 3.693 -7.862 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -7.744 3.430 -9.576 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -4.387 7.023 -10.066 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -5.822 7.723 -9.279 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -4.748 6.634 -8.367 1.00 0.00 H new ATOM 1127 N ALA A 76 -9.669 5.594 -11.232 1.00 0.00 N ATOM 1128 CA ALA A 76 -10.580 4.852 -12.087 1.00 0.00 C ATOM 1129 C ALA A 76 -12.020 5.246 -11.753 1.00 0.00 C ATOM 1130 O ALA A 76 -12.960 4.769 -12.387 1.00 0.00 O ATOM 1131 CB ALA A 76 -10.332 3.352 -11.917 1.00 0.00 C ATOM 0 H ALA A 76 -9.262 6.425 -11.662 1.00 0.00 H new ATOM 0 HA ALA A 76 -10.406 5.095 -13.135 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -11.015 2.795 -12.558 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -9.304 3.120 -12.194 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -10.500 3.071 -10.877 1.00 0.00 H new ATOM 1137 N GLY A 77 -12.148 6.113 -10.759 1.00 0.00 N ATOM 1138 CA GLY A 77 -13.458 6.576 -10.334 1.00 0.00 C ATOM 1139 C GLY A 77 -13.816 6.018 -8.956 1.00 0.00 C ATOM 1140 O GLY A 77 -14.863 6.348 -8.401 1.00 0.00 O ATOM 0 H GLY A 77 -11.366 6.507 -10.236 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -13.470 7.666 -10.304 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -14.210 6.269 -11.061 1.00 0.00 H new ATOM 1144 N GLN A 78 -12.926 5.181 -8.442 1.00 0.00 N ATOM 1145 CA GLN A 78 -13.135 4.573 -7.139 1.00 0.00 C ATOM 1146 C GLN A 78 -12.030 4.999 -6.171 1.00 0.00 C ATOM 1147 O GLN A 78 -10.915 5.305 -6.592 1.00 0.00 O ATOM 1148 CB GLN A 78 -13.210 3.049 -7.250 1.00 0.00 C ATOM 1149 CG GLN A 78 -14.393 2.620 -8.119 1.00 0.00 C ATOM 1150 CD GLN A 78 -14.093 1.307 -8.844 1.00 0.00 C ATOM 1151 OE1 GLN A 78 -14.715 0.283 -8.611 1.00 0.00 O ATOM 1152 NE2 GLN A 78 -13.109 1.393 -9.735 1.00 0.00 N ATOM 0 H GLN A 78 -12.058 4.910 -8.905 1.00 0.00 H new ATOM 0 HA GLN A 78 -14.090 4.923 -6.746 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -12.283 2.666 -7.677 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -13.307 2.613 -6.256 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -15.281 2.502 -7.498 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -14.615 3.400 -8.848 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -12.629 2.281 -9.881 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -12.834 0.571 -10.272 1.00 0.00 H new ATOM 1161 N VAL A 79 -12.377 5.006 -4.892 1.00 0.00 N ATOM 1162 CA VAL A 79 -11.427 5.389 -3.861 1.00 0.00 C ATOM 1163 C VAL A 79 -10.537 4.192 -3.523 1.00 0.00 C ATOM 1164 O VAL A 79 -11.011 3.059 -3.459 1.00 0.00 O ATOM 1165 CB VAL A 79 -12.172 5.942 -2.644 1.00 0.00 C ATOM 1166 CG1 VAL A 79 -11.198 6.278 -1.512 1.00 0.00 C ATOM 1167 CG2 VAL A 79 -13.013 7.162 -3.024 1.00 0.00 C ATOM 0 H VAL A 79 -13.303 4.753 -4.546 1.00 0.00 H new ATOM 0 HA VAL A 79 -10.776 6.187 -4.219 1.00 0.00 H new ATOM 0 HB VAL A 79 -12.849 5.167 -2.285 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -11.753 6.669 -0.659 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -10.662 5.377 -1.214 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -10.485 7.027 -1.856 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -13.532 7.535 -2.141 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -12.363 7.943 -3.420 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -13.744 6.879 -3.782 1.00 0.00 H new ATOM 1177 N LEU A 80 -9.261 4.484 -3.317 1.00 0.00 N ATOM 1178 CA LEU A 80 -8.299 3.445 -2.988 1.00 0.00 C ATOM 1179 C LEU A 80 -8.142 3.365 -1.468 1.00 0.00 C ATOM 1180 O LEU A 80 -7.867 4.371 -0.815 1.00 0.00 O ATOM 1181 CB LEU A 80 -6.983 3.679 -3.731 1.00 0.00 C ATOM 1182 CG LEU A 80 -7.075 3.736 -5.257 1.00 0.00 C ATOM 1183 CD1 LEU A 80 -5.716 4.071 -5.876 1.00 0.00 C ATOM 1184 CD2 LEU A 80 -7.657 2.438 -5.820 1.00 0.00 C ATOM 0 H LEU A 80 -8.871 5.425 -3.371 1.00 0.00 H new ATOM 0 HA LEU A 80 -8.659 2.472 -3.323 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.551 4.615 -3.378 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.289 2.884 -3.458 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.759 4.540 -5.528 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.809 4.105 -6.961 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -5.379 5.041 -5.510 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -4.991 3.306 -5.598 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -7.712 2.505 -6.907 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.018 1.601 -5.540 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.657 2.282 -5.415 1.00 0.00 H new ATOM 1196 N ASP A 81 -8.323 2.160 -0.949 1.00 0.00 N ATOM 1197 CA ASP A 81 -8.205 1.935 0.482 1.00 0.00 C ATOM 1198 C ASP A 81 -6.799 1.421 0.798 1.00 0.00 C ATOM 1199 O ASP A 81 -6.511 0.240 0.614 1.00 0.00 O ATOM 1200 CB ASP A 81 -9.211 0.887 0.960 1.00 0.00 C ATOM 1201 CG ASP A 81 -10.262 1.401 1.945 1.00 0.00 C ATOM 1202 OD1 ASP A 81 -10.716 2.548 1.744 1.00 0.00 O ATOM 1203 OD2 ASP A 81 -10.589 0.635 2.878 1.00 0.00 O ATOM 0 H ASP A 81 -8.551 1.328 -1.494 1.00 0.00 H new ATOM 0 HA ASP A 81 -8.401 2.880 0.989 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -9.722 0.473 0.091 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -8.665 0.069 1.429 1.00 0.00 H new ATOM 1208 N ILE A 82 -5.962 2.334 1.269 1.00 0.00 N ATOM 1209 CA ILE A 82 -4.593 1.987 1.613 1.00 0.00 C ATOM 1210 C ILE A 82 -4.376 2.213 3.111 1.00 0.00 C ATOM 1211 O ILE A 82 -5.079 3.009 3.731 1.00 0.00 O ATOM 1212 CB ILE A 82 -3.608 2.751 0.726 1.00 0.00 C ATOM 1213 CG1 ILE A 82 -4.166 2.927 -0.688 1.00 0.00 C ATOM 1214 CG2 ILE A 82 -2.236 2.073 0.721 1.00 0.00 C ATOM 1215 CD1 ILE A 82 -3.128 3.568 -1.611 1.00 0.00 C ATOM 0 H ILE A 82 -6.205 3.313 1.420 1.00 0.00 H new ATOM 0 HA ILE A 82 -4.407 0.931 1.419 1.00 0.00 H new ATOM 0 HB ILE A 82 -3.473 3.748 1.145 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -4.465 1.958 -1.088 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -5.061 3.548 -0.655 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.554 2.636 0.083 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -1.841 2.043 1.737 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -2.334 1.057 0.340 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -3.550 3.682 -2.610 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.850 4.547 -1.221 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.244 2.933 -1.661 1.00 0.00 H new ATOM 1227 N ASN A 83 -3.398 1.499 3.648 1.00 0.00 N ATOM 1228 CA ASN A 83 -3.078 1.611 5.061 1.00 0.00 C ATOM 1229 C ASN A 83 -1.665 1.078 5.304 1.00 0.00 C ATOM 1230 O ASN A 83 -1.118 0.358 4.471 1.00 0.00 O ATOM 1231 CB ASN A 83 -4.047 0.788 5.912 1.00 0.00 C ATOM 1232 CG ASN A 83 -3.789 1.008 7.404 1.00 0.00 C ATOM 1233 OD1 ASN A 83 -4.111 2.040 7.971 1.00 0.00 O ATOM 1234 ND2 ASN A 83 -3.193 -0.016 8.007 1.00 0.00 N ATOM 0 H ASN A 83 -2.816 0.840 3.130 1.00 0.00 H new ATOM 0 HA ASN A 83 -3.154 2.662 5.342 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -5.073 1.066 5.672 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -3.939 -0.270 5.673 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -2.979 0.033 9.003 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -2.950 -0.851 7.474 1.00 0.00 H new ATOM 1241 N LEU A 84 -1.114 1.453 6.450 1.00 0.00 N ATOM 1242 CA LEU A 84 0.225 1.022 6.813 1.00 0.00 C ATOM 1243 C LEU A 84 0.170 -0.420 7.323 1.00 0.00 C ATOM 1244 O LEU A 84 -0.704 -0.769 8.114 1.00 0.00 O ATOM 1245 CB LEU A 84 0.853 2.002 7.805 1.00 0.00 C ATOM 1246 CG LEU A 84 2.040 2.816 7.284 1.00 0.00 C ATOM 1247 CD1 LEU A 84 2.523 3.815 8.337 1.00 0.00 C ATOM 1248 CD2 LEU A 84 3.166 1.898 6.806 1.00 0.00 C ATOM 0 H LEU A 84 -1.571 2.051 7.139 1.00 0.00 H new ATOM 0 HA LEU A 84 0.877 1.028 5.940 1.00 0.00 H new ATOM 0 HB2 LEU A 84 0.081 2.695 8.138 1.00 0.00 H new ATOM 0 HB3 LEU A 84 1.179 1.442 8.682 1.00 0.00 H new ATOM 0 HG LEU A 84 1.707 3.393 6.421 1.00 0.00 H new ATOM 0 HD11 LEU A 84 3.367 4.381 7.942 1.00 0.00 H new ATOM 0 HD12 LEU A 84 1.713 4.500 8.588 1.00 0.00 H new ATOM 0 HD13 LEU A 84 2.834 3.278 9.233 1.00 0.00 H new ATOM 0 HD21 LEU A 84 3.997 2.501 6.441 1.00 0.00 H new ATOM 0 HD22 LEU A 84 3.505 1.277 7.635 1.00 0.00 H new ATOM 0 HD23 LEU A 84 2.799 1.261 6.001 1.00 0.00 H new ATOM 1260 N ALA A 85 1.116 -1.218 6.850 1.00 0.00 N ATOM 1261 CA ALA A 85 1.187 -2.613 7.248 1.00 0.00 C ATOM 1262 C ALA A 85 1.583 -2.698 8.724 1.00 0.00 C ATOM 1263 O ALA A 85 2.720 -3.039 9.046 1.00 0.00 O ATOM 1264 CB ALA A 85 2.168 -3.355 6.338 1.00 0.00 C ATOM 0 H ALA A 85 1.840 -0.924 6.194 1.00 0.00 H new ATOM 0 HA ALA A 85 0.214 -3.093 7.139 1.00 0.00 H new ATOM 0 HB1 ALA A 85 2.221 -4.402 6.637 1.00 0.00 H new ATOM 0 HB2 ALA A 85 1.827 -3.290 5.305 1.00 0.00 H new ATOM 0 HB3 ALA A 85 3.156 -2.903 6.423 1.00 0.00 H new ATOM 1270 N ALA A 86 0.623 -2.382 9.580 1.00 0.00 N ATOM 1271 CA ALA A 86 0.858 -2.418 11.014 1.00 0.00 C ATOM 1272 C ALA A 86 -0.485 -2.485 11.744 1.00 0.00 C ATOM 1273 O ALA A 86 -0.697 -3.361 12.582 1.00 0.00 O ATOM 1274 CB ALA A 86 1.685 -1.200 11.427 1.00 0.00 C ATOM 0 H ALA A 86 -0.319 -2.100 9.309 1.00 0.00 H new ATOM 0 HA ALA A 86 1.428 -3.306 11.287 1.00 0.00 H new ATOM 0 HB1 ALA A 86 1.861 -1.227 12.502 1.00 0.00 H new ATOM 0 HB2 ALA A 86 2.640 -1.214 10.902 1.00 0.00 H new ATOM 0 HB3 ALA A 86 1.144 -0.289 11.171 1.00 0.00 H new ATOM 1280 N GLU A 87 -1.358 -1.550 11.399 1.00 0.00 N ATOM 1281 CA GLU A 87 -2.674 -1.492 12.012 1.00 0.00 C ATOM 1282 C GLU A 87 -3.758 -1.765 10.967 1.00 0.00 C ATOM 1283 O GLU A 87 -4.179 -0.857 10.252 1.00 0.00 O ATOM 1284 CB GLU A 87 -2.901 -0.143 12.697 1.00 0.00 C ATOM 1285 CG GLU A 87 -2.298 -0.134 14.104 1.00 0.00 C ATOM 1286 CD GLU A 87 -2.502 1.223 14.779 1.00 0.00 C ATOM 1287 OE1 GLU A 87 -3.626 1.756 14.654 1.00 0.00 O ATOM 1288 OE2 GLU A 87 -1.529 1.697 15.405 1.00 0.00 O ATOM 0 H GLU A 87 -1.180 -0.826 10.703 1.00 0.00 H new ATOM 0 HA GLU A 87 -2.731 -2.265 12.778 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -2.453 0.652 12.100 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -3.969 0.065 12.754 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -2.759 -0.917 14.706 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -1.233 -0.360 14.049 1.00 0.00 H new ATOM 1295 N PRO A 88 -4.190 -3.054 10.910 1.00 0.00 N ATOM 1296 CA PRO A 88 -5.216 -3.458 9.965 1.00 0.00 C ATOM 1297 C PRO A 88 -6.597 -2.979 10.417 1.00 0.00 C ATOM 1298 O PRO A 88 -7.567 -3.070 9.665 1.00 0.00 O ATOM 1299 CB PRO A 88 -5.108 -4.972 9.890 1.00 0.00 C ATOM 1300 CG PRO A 88 -4.346 -5.398 11.135 1.00 0.00 C ATOM 1301 CD PRO A 88 -3.714 -4.156 11.741 1.00 0.00 C ATOM 0 HA PRO A 88 -5.079 -3.013 8.980 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -6.095 -5.433 9.860 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -4.584 -5.282 8.986 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -5.018 -5.872 11.850 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -3.580 -6.131 10.882 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -4.014 -4.026 12.781 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -2.626 -4.219 11.729 1.00 0.00 H new ATOM 1309 N LYS A 89 -6.643 -2.479 11.643 1.00 0.00 N ATOM 1310 CA LYS A 89 -7.889 -1.985 12.204 1.00 0.00 C ATOM 1311 C LYS A 89 -9.015 -2.968 11.878 1.00 0.00 C ATOM 1312 O LYS A 89 -10.076 -2.567 11.404 1.00 0.00 O ATOM 1313 CB LYS A 89 -8.162 -0.557 11.728 1.00 0.00 C ATOM 1314 CG LYS A 89 -7.085 0.405 12.233 1.00 0.00 C ATOM 1315 CD LYS A 89 -7.436 0.940 13.623 1.00 0.00 C ATOM 1316 CE LYS A 89 -7.926 2.387 13.546 1.00 0.00 C ATOM 1317 NZ LYS A 89 -9.092 2.588 14.437 1.00 0.00 N ATOM 0 H LYS A 89 -5.837 -2.405 12.264 1.00 0.00 H new ATOM 0 HA LYS A 89 -7.821 -1.926 13.290 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -8.194 -0.533 10.639 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -9.140 -0.232 12.083 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -6.123 -0.106 12.268 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -6.979 1.236 11.536 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -8.207 0.315 14.073 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -6.561 0.883 14.270 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -7.122 3.065 13.831 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -8.199 2.631 12.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -9.412 3.575 14.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -9.864 1.954 14.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -8.820 2.376 15.418 1.00 0.00 H new ATOM 1331 N VAL A 90 -8.745 -4.238 12.145 1.00 0.00 N ATOM 1332 CA VAL A 90 -9.722 -5.281 11.885 1.00 0.00 C ATOM 1333 C VAL A 90 -10.565 -5.508 13.142 1.00 0.00 C ATOM 1334 O VAL A 90 -10.026 -5.663 14.236 1.00 0.00 O ATOM 1335 CB VAL A 90 -9.016 -6.550 11.402 1.00 0.00 C ATOM 1336 CG1 VAL A 90 -8.224 -7.203 12.536 1.00 0.00 C ATOM 1337 CG2 VAL A 90 -10.016 -7.535 10.794 1.00 0.00 C ATOM 0 H VAL A 90 -7.864 -4.568 12.539 1.00 0.00 H new ATOM 0 HA VAL A 90 -10.401 -4.979 11.088 1.00 0.00 H new ATOM 0 HB VAL A 90 -8.310 -6.264 10.622 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -7.732 -8.102 12.165 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -7.473 -6.504 12.904 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -8.902 -7.468 13.347 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -9.489 -8.428 10.459 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -10.757 -7.811 11.544 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -10.516 -7.069 9.945 1.00 0.00 H new ATOM 1347 N ASN A 91 -11.875 -5.520 12.942 1.00 0.00 N ATOM 1348 CA ASN A 91 -12.798 -5.725 14.045 1.00 0.00 C ATOM 1349 C ASN A 91 -14.198 -5.994 13.490 1.00 0.00 C ATOM 1350 O ASN A 91 -14.633 -5.335 12.547 1.00 0.00 O ATOM 1351 CB ASN A 91 -12.874 -4.485 14.938 1.00 0.00 C ATOM 1352 CG ASN A 91 -13.199 -3.236 14.115 1.00 0.00 C ATOM 1353 OD1 ASN A 91 -14.342 -2.833 13.976 1.00 0.00 O ATOM 1354 ND2 ASN A 91 -12.133 -2.649 13.579 1.00 0.00 N ATOM 0 H ASN A 91 -12.319 -5.391 12.033 1.00 0.00 H new ATOM 0 HA ASN A 91 -12.439 -6.570 14.632 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -13.637 -4.630 15.703 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -11.925 -4.347 15.456 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -12.245 -1.809 13.012 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -11.204 -3.039 13.735 1.00 0.00 H new ATOM 1361 N ARG A 92 -14.865 -6.964 14.098 1.00 0.00 N ATOM 1362 CA ARG A 92 -16.207 -7.328 13.676 1.00 0.00 C ATOM 1363 C ARG A 92 -17.067 -6.075 13.501 1.00 0.00 C ATOM 1364 O ARG A 92 -17.572 -5.813 12.411 1.00 0.00 O ATOM 1365 CB ARG A 92 -16.871 -8.256 14.695 1.00 0.00 C ATOM 1366 CG ARG A 92 -17.010 -9.674 14.137 1.00 0.00 C ATOM 1367 CD ARG A 92 -18.273 -9.807 13.284 1.00 0.00 C ATOM 1368 NE ARG A 92 -18.142 -10.956 12.361 1.00 0.00 N ATOM 1369 CZ ARG A 92 -18.280 -12.237 12.732 1.00 0.00 C ATOM 1370 NH1 ARG A 92 -18.554 -12.539 14.008 1.00 0.00 N ATOM 1371 NH2 ARG A 92 -18.144 -13.214 11.826 1.00 0.00 N ATOM 0 H ARG A 92 -14.501 -7.509 14.880 1.00 0.00 H new ATOM 0 HA ARG A 92 -16.125 -7.852 12.724 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -16.280 -8.278 15.611 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -17.854 -7.867 14.959 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -16.134 -9.920 13.537 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -17.045 -10.390 14.958 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -19.143 -9.944 13.926 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -18.437 -8.891 12.716 1.00 0.00 H new ATOM 0 HE ARG A 92 -17.934 -10.761 11.382 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -18.658 -11.794 14.697 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -18.659 -13.514 14.290 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -17.936 -12.983 10.855 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -18.249 -14.189 12.107 1.00 0.00 H new ATOM 1385 N SER A 93 -17.206 -5.335 14.591 1.00 0.00 N ATOM 1386 CA SER A 93 -17.996 -4.116 14.571 1.00 0.00 C ATOM 1387 C SER A 93 -17.110 -2.912 14.898 1.00 0.00 C ATOM 1388 O SER A 93 -17.032 -1.964 14.118 1.00 0.00 O ATOM 1389 CB SER A 93 -19.163 -4.199 15.557 1.00 0.00 C ATOM 1390 OG SER A 93 -20.409 -4.401 14.895 1.00 0.00 O ATOM 0 H SER A 93 -16.785 -5.556 15.493 1.00 0.00 H new ATOM 0 HA SER A 93 -18.409 -3.994 13.570 1.00 0.00 H new ATOM 0 HB2 SER A 93 -18.988 -5.016 16.257 1.00 0.00 H new ATOM 0 HB3 SER A 93 -19.209 -3.281 16.143 1.00 0.00 H new ATOM 0 HG SER A 93 -21.128 -4.450 15.559 1.00 0.00 H new ATOM 1396 N GLY A 94 -16.464 -2.990 16.052 1.00 0.00 N ATOM 1397 CA GLY A 94 -15.586 -1.919 16.491 1.00 0.00 C ATOM 1398 C GLY A 94 -16.320 -0.958 17.429 1.00 0.00 C ATOM 1399 O GLY A 94 -17.278 -1.346 18.095 1.00 0.00 O ATOM 0 H GLY A 94 -16.531 -3.778 16.696 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -14.720 -2.340 17.001 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -15.212 -1.373 15.625 1.00 0.00 H new ATOM 1403 N PRO A 95 -15.830 0.310 17.451 1.00 0.00 N ATOM 1404 CA PRO A 95 -16.428 1.330 18.296 1.00 0.00 C ATOM 1405 C PRO A 95 -17.756 1.816 17.711 1.00 0.00 C ATOM 1406 O PRO A 95 -17.882 2.980 17.334 1.00 0.00 O ATOM 1407 CB PRO A 95 -15.382 2.428 18.389 1.00 0.00 C ATOM 1408 CG PRO A 95 -14.432 2.198 17.226 1.00 0.00 C ATOM 1409 CD PRO A 95 -14.696 0.806 16.676 1.00 0.00 C ATOM 0 HA PRO A 95 -16.683 0.958 19.288 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -15.844 3.413 18.327 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -14.852 2.383 19.341 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -14.587 2.950 16.452 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -13.397 2.288 17.555 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -14.928 0.838 15.611 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -13.824 0.162 16.793 1.00 0.00 H new ATOM 1417 N SER A 96 -18.712 0.901 17.654 1.00 0.00 N ATOM 1418 CA SER A 96 -20.025 1.222 17.122 1.00 0.00 C ATOM 1419 C SER A 96 -21.086 1.056 18.211 1.00 0.00 C ATOM 1420 O SER A 96 -21.269 -0.037 18.744 1.00 0.00 O ATOM 1421 CB SER A 96 -20.361 0.343 15.916 1.00 0.00 C ATOM 1422 OG SER A 96 -20.087 1.001 14.682 1.00 0.00 O ATOM 0 H SER A 96 -18.603 -0.063 17.968 1.00 0.00 H new ATOM 0 HA SER A 96 -20.014 2.260 16.789 1.00 0.00 H new ATOM 0 HB2 SER A 96 -19.785 -0.581 15.970 1.00 0.00 H new ATOM 0 HB3 SER A 96 -21.414 0.065 15.952 1.00 0.00 H new ATOM 0 HG SER A 96 -20.313 0.406 13.937 1.00 0.00 H new ATOM 1428 N SER A 97 -21.759 2.158 18.510 1.00 0.00 N ATOM 1429 CA SER A 97 -22.798 2.149 19.526 1.00 0.00 C ATOM 1430 C SER A 97 -23.773 3.303 19.288 1.00 0.00 C ATOM 1431 O SER A 97 -23.580 4.401 19.810 1.00 0.00 O ATOM 1432 CB SER A 97 -22.196 2.243 20.929 1.00 0.00 C ATOM 1433 OG SER A 97 -21.704 0.985 21.385 1.00 0.00 O ATOM 0 H SER A 97 -21.605 3.063 18.066 1.00 0.00 H new ATOM 0 HA SER A 97 -23.339 1.205 19.454 1.00 0.00 H new ATOM 0 HB2 SER A 97 -21.384 2.970 20.927 1.00 0.00 H new ATOM 0 HB3 SER A 97 -22.951 2.610 21.624 1.00 0.00 H new ATOM 0 HG SER A 97 -21.505 0.413 20.615 1.00 0.00 H new ATOM 1439 N GLY A 98 -24.799 3.016 18.501 1.00 0.00 N ATOM 1440 CA GLY A 98 -25.805 4.017 18.188 1.00 0.00 C ATOM 1441 C GLY A 98 -27.013 3.889 19.118 1.00 0.00 C ATOM 1442 O GLY A 98 -27.696 4.875 19.393 1.00 0.00 O ATOM 0 H GLY A 98 -24.956 2.105 18.071 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -25.373 5.013 18.282 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -26.125 3.905 17.152 1.00 0.00 H new TER 1446 GLY A 98