USER MOD reduce.3.24.130724 H: found=0, std=0, add=708, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 706 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 12 HIS :FLIP no HD1:sc= -1.7 F(o=-12!,f=-8.1) USER MOD Set 1.2: A 37 MET CE :methyl -132:sc= -6.36! (180deg=-6.47!) USER MOD Set 2.1: A 9 SER OG : rot 180:sc= -0.37 USER MOD Set 2.2: A 14 CYS SG : rot 100:sc= -0.86 USER MOD Set 2.3: A 17 CYS SG : rot -74:sc= 1.17 USER MOD Single : A 1 MET CE :methyl -172:sc= 0 (180deg=-0.0665) USER MOD Single : A 1 MET N :NH3+ -111:sc= -2.67! (180deg=-5.79!) USER MOD Single : A 3 LYS NZ :NH3+ 169:sc= -0.17 (180deg=-0.289) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot -36:sc= -0.0788 USER MOD Single : A 10 ASN : amide:sc= -1.58 K(o=-1.6,f=-12!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -3.02 K(o=-3,f=-11!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 77:sc= 0.364 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.421 K(o=-0.42,f=-1.1!) USER MOD Single : A 35 ASN : amide:sc= -0.267 X(o=-0.27,f=-0.32) USER MOD Single : A 40 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000423) USER MOD Single : A 47 LYS NZ :NH3+ -106:sc= 0.98 (180deg=-0.226) USER MOD Single : A 53 THR OG1 : rot 77:sc= 0.0288 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.183 USER MOD Single : A 60 GLN : amide:sc= -0.475 X(o=-0.48,f=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl -149:sc= -0.138 (180deg=-0.609) USER MOD Single : A 67 GLN : amide:sc= -3.79 K(o=-3.8,f=-6.5!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 HIS :FLIP no HE2:sc= -3.33! F(o=-4.3,f=-3.3!) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.723 -2.119 12.194 1.00 0.00 N ATOM 2 CA MET A 1 2.751 -2.741 11.250 1.00 0.00 C ATOM 3 C MET A 1 2.737 -2.019 9.910 1.00 0.00 C ATOM 4 O MET A 1 2.407 -0.835 9.831 1.00 0.00 O ATOM 5 CB MET A 1 1.373 -2.701 11.902 1.00 0.00 C ATOM 6 CG MET A 1 0.256 -3.316 11.086 1.00 0.00 C ATOM 7 SD MET A 1 -1.355 -3.121 11.872 1.00 0.00 S ATOM 8 CE MET A 1 -1.240 -4.336 13.184 1.00 0.00 C ATOM 0 H1 MET A 1 4.519 -2.769 12.351 1.00 0.00 H new ATOM 0 H2 MET A 1 4.078 -1.228 11.790 1.00 0.00 H new ATOM 0 H3 MET A 1 3.251 -1.925 13.100 1.00 0.00 H new ATOM 0 HA MET A 1 3.044 -3.771 11.047 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.427 -3.217 12.861 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.118 -1.662 12.112 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.234 -2.855 10.099 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.459 -4.377 10.938 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.209 -4.438 13.672 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.942 -5.297 12.765 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.498 -4.013 13.915 1.00 0.00 H new ATOM 20 N PHE A 2 3.104 -2.741 8.855 1.00 0.00 N ATOM 21 CA PHE A 2 3.146 -2.169 7.519 1.00 0.00 C ATOM 22 C PHE A 2 1.822 -1.515 7.164 1.00 0.00 C ATOM 23 O PHE A 2 0.768 -1.892 7.678 1.00 0.00 O ATOM 24 CB PHE A 2 3.506 -3.237 6.486 1.00 0.00 C ATOM 25 CG PHE A 2 4.909 -3.748 6.629 1.00 0.00 C ATOM 26 CD1 PHE A 2 5.196 -4.786 7.497 1.00 0.00 C ATOM 27 CD2 PHE A 2 5.938 -3.184 5.899 1.00 0.00 C ATOM 28 CE1 PHE A 2 6.487 -5.254 7.632 1.00 0.00 C ATOM 29 CE2 PHE A 2 7.231 -3.647 6.028 1.00 0.00 C ATOM 30 CZ PHE A 2 7.507 -4.683 6.897 1.00 0.00 C ATOM 0 H PHE A 2 3.376 -3.723 8.903 1.00 0.00 H new ATOM 0 HA PHE A 2 3.919 -1.400 7.508 1.00 0.00 H new ATOM 0 HB2 PHE A 2 2.811 -4.072 6.578 1.00 0.00 H new ATOM 0 HB3 PHE A 2 3.377 -2.824 5.486 1.00 0.00 H new ATOM 0 HD1 PHE A 2 4.402 -5.235 8.075 1.00 0.00 H new ATOM 0 HD2 PHE A 2 5.727 -2.371 5.220 1.00 0.00 H new ATOM 0 HE1 PHE A 2 6.699 -6.066 8.312 1.00 0.00 H new ATOM 0 HE2 PHE A 2 8.026 -3.200 5.450 1.00 0.00 H new ATOM 0 HZ PHE A 2 8.519 -5.046 7.002 1.00 0.00 H new ATOM 40 N LYS A 3 1.890 -0.522 6.294 1.00 0.00 N ATOM 41 CA LYS A 3 0.708 0.208 5.875 1.00 0.00 C ATOM 42 C LYS A 3 0.594 0.234 4.360 1.00 0.00 C ATOM 43 O LYS A 3 1.481 0.734 3.676 1.00 0.00 O ATOM 44 CB LYS A 3 0.772 1.635 6.410 1.00 0.00 C ATOM 45 CG LYS A 3 0.262 1.781 7.832 1.00 0.00 C ATOM 46 CD LYS A 3 1.404 1.716 8.835 1.00 0.00 C ATOM 47 CE LYS A 3 0.897 1.425 10.238 1.00 0.00 C ATOM 48 NZ LYS A 3 0.025 0.218 10.276 1.00 0.00 N ATOM 0 H LYS A 3 2.757 -0.202 5.862 1.00 0.00 H new ATOM 0 HA LYS A 3 -0.170 -0.297 6.277 1.00 0.00 H new ATOM 0 HB2 LYS A 3 1.804 1.983 6.367 1.00 0.00 H new ATOM 0 HB3 LYS A 3 0.189 2.284 5.757 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -0.264 2.730 7.937 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -0.459 0.992 8.046 1.00 0.00 H new ATOM 0 HD2 LYS A 3 2.110 0.942 8.534 1.00 0.00 H new ATOM 0 HD3 LYS A 3 1.947 2.661 8.832 1.00 0.00 H new ATOM 0 HE2 LYS A 3 1.745 1.281 10.908 1.00 0.00 H new ATOM 0 HE3 LYS A 3 0.341 2.286 10.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -0.147 -0.055 11.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -0.881 0.430 9.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 0.494 -0.565 9.778 1.00 0.00 H new ATOM 62 N VAL A 4 -0.500 -0.301 3.839 1.00 0.00 N ATOM 63 CA VAL A 4 -0.711 -0.316 2.397 1.00 0.00 C ATOM 64 C VAL A 4 -1.846 0.614 1.991 1.00 0.00 C ATOM 65 O VAL A 4 -2.898 0.646 2.624 1.00 0.00 O ATOM 66 CB VAL A 4 -1.022 -1.733 1.863 1.00 0.00 C ATOM 67 CG1 VAL A 4 -1.601 -1.670 0.455 1.00 0.00 C ATOM 68 CG2 VAL A 4 0.224 -2.593 1.870 1.00 0.00 C ATOM 0 H VAL A 4 -1.249 -0.727 4.385 1.00 0.00 H new ATOM 0 HA VAL A 4 0.225 0.029 1.957 1.00 0.00 H new ATOM 0 HB VAL A 4 -1.764 -2.182 2.524 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -1.811 -2.680 0.102 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -2.524 -1.090 0.467 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -0.883 -1.195 -0.213 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -0.017 -3.586 1.490 1.00 0.00 H new ATOM 0 HG22 VAL A 4 0.984 -2.137 1.236 1.00 0.00 H new ATOM 0 HG23 VAL A 4 0.603 -2.676 2.889 1.00 0.00 H new ATOM 78 N TYR A 5 -1.629 1.340 0.905 1.00 0.00 N ATOM 79 CA TYR A 5 -2.634 2.242 0.373 1.00 0.00 C ATOM 80 C TYR A 5 -3.074 1.738 -0.991 1.00 0.00 C ATOM 81 O TYR A 5 -2.386 1.950 -1.989 1.00 0.00 O ATOM 82 CB TYR A 5 -2.079 3.663 0.243 1.00 0.00 C ATOM 83 CG TYR A 5 -1.822 4.357 1.564 1.00 0.00 C ATOM 84 CD1 TYR A 5 -1.034 3.766 2.544 1.00 0.00 C ATOM 85 CD2 TYR A 5 -2.356 5.614 1.822 1.00 0.00 C ATOM 86 CE1 TYR A 5 -0.788 4.406 3.743 1.00 0.00 C ATOM 87 CE2 TYR A 5 -2.111 6.262 3.020 1.00 0.00 C ATOM 88 CZ TYR A 5 -1.327 5.653 3.976 1.00 0.00 C ATOM 89 OH TYR A 5 -1.082 6.293 5.169 1.00 0.00 O ATOM 0 H TYR A 5 -0.759 1.320 0.373 1.00 0.00 H new ATOM 0 HA TYR A 5 -3.483 2.270 1.056 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -1.147 3.626 -0.321 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -2.780 4.262 -0.338 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -0.607 2.790 2.365 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -2.972 6.093 1.075 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -0.176 3.931 4.495 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -2.532 7.239 3.205 1.00 0.00 H new ATOM 0 HH TYR A 5 -1.534 7.163 5.173 1.00 0.00 H new ATOM 99 N GLY A 6 -4.204 1.047 -1.031 1.00 0.00 N ATOM 100 CA GLY A 6 -4.686 0.511 -2.285 1.00 0.00 C ATOM 101 C GLY A 6 -6.175 0.241 -2.267 1.00 0.00 C ATOM 102 O GLY A 6 -6.954 1.045 -1.758 1.00 0.00 O ATOM 0 H GLY A 6 -4.792 0.849 -0.222 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -4.457 1.212 -3.088 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -4.155 -0.414 -2.509 1.00 0.00 H new ATOM 106 N TYR A 7 -6.569 -0.889 -2.839 1.00 0.00 N ATOM 107 CA TYR A 7 -7.964 -1.265 -2.909 1.00 0.00 C ATOM 108 C TYR A 7 -8.206 -2.577 -2.169 1.00 0.00 C ATOM 109 O TYR A 7 -7.320 -3.429 -2.098 1.00 0.00 O ATOM 110 CB TYR A 7 -8.362 -1.359 -4.373 1.00 0.00 C ATOM 111 CG TYR A 7 -7.964 -0.109 -5.112 1.00 0.00 C ATOM 112 CD1 TYR A 7 -6.637 0.109 -5.454 1.00 0.00 C ATOM 113 CD2 TYR A 7 -8.891 0.878 -5.412 1.00 0.00 C ATOM 114 CE1 TYR A 7 -6.244 1.274 -6.073 1.00 0.00 C ATOM 115 CE2 TYR A 7 -8.505 2.040 -6.036 1.00 0.00 C ATOM 116 CZ TYR A 7 -7.181 2.240 -6.360 1.00 0.00 C ATOM 117 OH TYR A 7 -6.794 3.406 -6.980 1.00 0.00 O ATOM 0 H TYR A 7 -5.931 -1.563 -3.263 1.00 0.00 H new ATOM 0 HA TYR A 7 -8.583 -0.512 -2.420 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -7.885 -2.226 -4.830 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -9.439 -1.508 -4.454 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -5.900 -0.648 -5.231 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -9.929 0.732 -5.152 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -5.207 1.429 -6.332 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -9.239 2.796 -6.272 1.00 0.00 H new ATOM 0 HH TYR A 7 -5.908 3.671 -6.655 1.00 0.00 H new ATOM 127 N ASP A 8 -9.395 -2.724 -1.595 1.00 0.00 N ATOM 128 CA ASP A 8 -9.733 -3.925 -0.838 1.00 0.00 C ATOM 129 C ASP A 8 -10.093 -5.102 -1.745 1.00 0.00 C ATOM 130 O ASP A 8 -10.528 -6.148 -1.262 1.00 0.00 O ATOM 131 CB ASP A 8 -10.891 -3.631 0.117 1.00 0.00 C ATOM 132 CG ASP A 8 -10.683 -4.253 1.483 1.00 0.00 C ATOM 133 OD1 ASP A 8 -9.513 -4.431 1.882 1.00 0.00 O ATOM 134 OD2 ASP A 8 -11.691 -4.564 2.154 1.00 0.00 O ATOM 0 H ASP A 8 -10.140 -2.028 -1.639 1.00 0.00 H new ATOM 0 HA ASP A 8 -8.847 -4.211 -0.270 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -11.005 -2.552 0.225 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -11.819 -4.008 -0.314 1.00 0.00 H new ATOM 139 N SER A 9 -9.913 -4.932 -3.058 1.00 0.00 N ATOM 140 CA SER A 9 -10.219 -5.987 -4.027 1.00 0.00 C ATOM 141 C SER A 9 -11.714 -6.039 -4.350 1.00 0.00 C ATOM 142 O SER A 9 -12.119 -6.657 -5.334 1.00 0.00 O ATOM 143 CB SER A 9 -9.754 -7.353 -3.507 1.00 0.00 C ATOM 144 OG SER A 9 -8.551 -7.235 -2.766 1.00 0.00 O ATOM 0 H SER A 9 -9.556 -4.072 -3.474 1.00 0.00 H new ATOM 0 HA SER A 9 -9.679 -5.750 -4.944 1.00 0.00 H new ATOM 0 HB2 SER A 9 -10.530 -7.790 -2.879 1.00 0.00 H new ATOM 0 HB3 SER A 9 -9.603 -8.033 -4.346 1.00 0.00 H new ATOM 0 HG SER A 9 -8.277 -8.119 -2.445 1.00 0.00 H new ATOM 150 N ASN A 10 -12.530 -5.398 -3.516 1.00 0.00 N ATOM 151 CA ASN A 10 -13.976 -5.384 -3.716 1.00 0.00 C ATOM 152 C ASN A 10 -14.407 -4.263 -4.660 1.00 0.00 C ATOM 153 O ASN A 10 -15.192 -4.484 -5.581 1.00 0.00 O ATOM 154 CB ASN A 10 -14.687 -5.228 -2.371 1.00 0.00 C ATOM 155 CG ASN A 10 -14.404 -3.887 -1.721 1.00 0.00 C ATOM 156 OD1 ASN A 10 -13.298 -3.357 -1.822 1.00 0.00 O ATOM 157 ND2 ASN A 10 -15.405 -3.330 -1.049 1.00 0.00 N ATOM 0 H ASN A 10 -12.214 -4.882 -2.695 1.00 0.00 H new ATOM 0 HA ASN A 10 -14.256 -6.333 -4.174 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -15.762 -5.339 -2.516 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -14.371 -6.028 -1.701 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -15.273 -2.428 -0.592 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -16.306 -3.804 -0.990 1.00 0.00 H new ATOM 164 N ILE A 11 -13.900 -3.056 -4.416 1.00 0.00 N ATOM 165 CA ILE A 11 -14.249 -1.903 -5.239 1.00 0.00 C ATOM 166 C ILE A 11 -13.303 -1.738 -6.417 1.00 0.00 C ATOM 167 O ILE A 11 -13.594 -0.985 -7.346 1.00 0.00 O ATOM 168 CB ILE A 11 -14.222 -0.589 -4.428 1.00 0.00 C ATOM 169 CG1 ILE A 11 -14.944 -0.764 -3.089 1.00 0.00 C ATOM 170 CG2 ILE A 11 -14.833 0.554 -5.235 1.00 0.00 C ATOM 171 CD1 ILE A 11 -15.357 0.540 -2.437 1.00 0.00 C ATOM 0 H ILE A 11 -13.249 -2.853 -3.658 1.00 0.00 H new ATOM 0 HA ILE A 11 -15.259 -2.097 -5.600 1.00 0.00 H new ATOM 0 HB ILE A 11 -13.183 -0.336 -4.218 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -15.831 -1.378 -3.244 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -14.294 -1.310 -2.406 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -14.805 1.471 -4.646 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -14.264 0.695 -6.154 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -15.867 0.313 -5.482 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -15.862 0.331 -1.494 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -14.473 1.149 -2.248 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -16.034 1.079 -3.099 1.00 0.00 H new ATOM 183 N HIS A 12 -12.156 -2.409 -6.385 1.00 0.00 N ATOM 184 CA HIS A 12 -11.208 -2.252 -7.467 1.00 0.00 C ATOM 185 C HIS A 12 -10.377 -3.520 -7.655 1.00 0.00 C ATOM 186 O HIS A 12 -10.332 -4.376 -6.774 1.00 0.00 O ATOM 187 CB HIS A 12 -10.311 -1.062 -7.142 1.00 0.00 C ATOM 188 CG HIS A 12 -9.787 -0.351 -8.340 1.00 0.00 C ATOM 189 ND1 HIS A 12 -10.291 0.735 -8.951 1.00 0.00 N flip ATOM 190 CD2 HIS A 12 -8.678 -0.712 -9.050 1.00 0.00 C flip ATOM 191 CE1 HIS A 12 -9.506 1.050 -10.056 1.00 0.00 C flip ATOM 192 NE2 HIS A 12 -8.546 0.148 -10.071 1.00 0.00 N flip ATOM 0 H HIS A 12 -11.871 -3.047 -5.642 1.00 0.00 H new ATOM 0 HA HIS A 12 -11.740 -2.075 -8.402 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -10.871 -0.355 -6.529 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -9.470 -1.408 -6.541 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -8.024 -1.542 -8.829 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -9.653 1.862 -10.753 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -7.801 0.109 -10.767 1.00 0.00 H new ATOM 200 N LYS A 13 -9.724 -3.636 -8.808 1.00 0.00 N ATOM 201 CA LYS A 13 -8.895 -4.803 -9.101 1.00 0.00 C ATOM 202 C LYS A 13 -7.507 -4.666 -8.466 1.00 0.00 C ATOM 203 O LYS A 13 -7.060 -3.557 -8.173 1.00 0.00 O ATOM 204 CB LYS A 13 -8.798 -5.012 -10.620 1.00 0.00 C ATOM 205 CG LYS A 13 -7.584 -4.372 -11.281 1.00 0.00 C ATOM 206 CD LYS A 13 -6.494 -5.401 -11.552 1.00 0.00 C ATOM 207 CE LYS A 13 -6.319 -5.659 -13.043 1.00 0.00 C ATOM 208 NZ LYS A 13 -6.670 -7.060 -13.413 1.00 0.00 N ATOM 0 H LYS A 13 -9.752 -2.939 -9.553 1.00 0.00 H new ATOM 0 HA LYS A 13 -9.365 -5.684 -8.663 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -8.782 -6.083 -10.824 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -9.699 -4.612 -11.085 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -7.883 -3.901 -12.217 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -7.191 -3.584 -10.639 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.551 -5.052 -11.130 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -6.742 -6.335 -11.048 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -6.946 -4.968 -13.606 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -5.286 -5.457 -13.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -6.537 -7.193 -14.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -6.055 -7.720 -12.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -7.663 -7.246 -13.166 1.00 0.00 H new ATOM 222 N CYS A 14 -6.827 -5.793 -8.257 1.00 0.00 N ATOM 223 CA CYS A 14 -5.490 -5.776 -7.658 1.00 0.00 C ATOM 224 C CYS A 14 -4.942 -7.185 -7.446 1.00 0.00 C ATOM 225 O CYS A 14 -5.398 -7.915 -6.567 1.00 0.00 O ATOM 226 CB CYS A 14 -5.502 -5.033 -6.319 1.00 0.00 C ATOM 227 SG CYS A 14 -7.034 -5.215 -5.373 1.00 0.00 S ATOM 0 H CYS A 14 -7.175 -6.723 -8.491 1.00 0.00 H new ATOM 0 HA CYS A 14 -4.839 -5.255 -8.359 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -4.670 -5.391 -5.712 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -5.328 -3.973 -6.505 1.00 0.00 H new ATOM 0 HG CYS A 14 -6.868 -6.111 -4.446 1.00 0.00 H new ATOM 233 N VAL A 15 -3.949 -7.556 -8.250 1.00 0.00 N ATOM 234 CA VAL A 15 -3.322 -8.873 -8.143 1.00 0.00 C ATOM 235 C VAL A 15 -2.111 -8.840 -7.210 1.00 0.00 C ATOM 236 O VAL A 15 -1.764 -9.845 -6.590 1.00 0.00 O ATOM 237 CB VAL A 15 -2.873 -9.395 -9.522 1.00 0.00 C ATOM 238 CG1 VAL A 15 -4.073 -9.579 -10.440 1.00 0.00 C ATOM 239 CG2 VAL A 15 -1.851 -8.453 -10.147 1.00 0.00 C ATOM 0 H VAL A 15 -3.560 -6.964 -8.984 1.00 0.00 H new ATOM 0 HA VAL A 15 -4.075 -9.545 -7.731 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.398 -10.366 -9.384 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.737 -9.948 -11.409 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.763 -10.298 -9.998 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.580 -8.623 -10.572 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -1.547 -8.840 -11.120 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.295 -7.465 -10.272 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.979 -8.379 -9.497 1.00 0.00 H new ATOM 249 N TYR A 16 -1.462 -7.679 -7.135 1.00 0.00 N ATOM 250 CA TYR A 16 -0.273 -7.507 -6.302 1.00 0.00 C ATOM 251 C TYR A 16 -0.607 -7.502 -4.814 1.00 0.00 C ATOM 252 O TYR A 16 0.257 -7.767 -3.978 1.00 0.00 O ATOM 253 CB TYR A 16 0.445 -6.211 -6.675 1.00 0.00 C ATOM 254 CG TYR A 16 1.362 -6.359 -7.866 1.00 0.00 C ATOM 255 CD1 TYR A 16 2.536 -7.094 -7.772 1.00 0.00 C ATOM 256 CD2 TYR A 16 1.049 -5.772 -9.085 1.00 0.00 C ATOM 257 CE1 TYR A 16 3.375 -7.238 -8.859 1.00 0.00 C ATOM 258 CE2 TYR A 16 1.882 -5.914 -10.178 1.00 0.00 C ATOM 259 CZ TYR A 16 3.044 -6.647 -10.060 1.00 0.00 C ATOM 260 OH TYR A 16 3.876 -6.789 -11.146 1.00 0.00 O ATOM 0 H TYR A 16 -1.741 -6.840 -7.644 1.00 0.00 H new ATOM 0 HA TYR A 16 0.380 -8.359 -6.490 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -0.297 -5.441 -6.889 1.00 0.00 H new ATOM 0 HB3 TYR A 16 1.025 -5.865 -5.819 1.00 0.00 H new ATOM 0 HD1 TYR A 16 2.797 -7.561 -6.834 1.00 0.00 H new ATOM 0 HD2 TYR A 16 0.141 -5.196 -9.180 1.00 0.00 H new ATOM 0 HE1 TYR A 16 4.286 -7.811 -8.769 1.00 0.00 H new ATOM 0 HE2 TYR A 16 1.624 -5.453 -11.120 1.00 0.00 H new ATOM 0 HH TYR A 16 3.496 -6.312 -11.913 1.00 0.00 H new ATOM 270 N CYS A 17 -1.853 -7.195 -4.480 1.00 0.00 N ATOM 271 CA CYS A 17 -2.270 -7.164 -3.086 1.00 0.00 C ATOM 272 C CYS A 17 -2.245 -8.568 -2.491 1.00 0.00 C ATOM 273 O CYS A 17 -1.939 -8.753 -1.315 1.00 0.00 O ATOM 274 CB CYS A 17 -3.672 -6.564 -2.961 1.00 0.00 C ATOM 275 SG CYS A 17 -4.973 -7.568 -3.716 1.00 0.00 S ATOM 0 H CYS A 17 -2.587 -6.966 -5.150 1.00 0.00 H new ATOM 0 HA CYS A 17 -1.571 -6.537 -2.532 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -3.903 -6.423 -1.905 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -3.676 -5.576 -3.422 1.00 0.00 H new ATOM 0 HG CYS A 17 -4.903 -7.468 -5.010 1.00 0.00 H new ATOM 281 N ASP A 18 -2.571 -9.551 -3.321 1.00 0.00 N ATOM 282 CA ASP A 18 -2.597 -10.946 -2.895 1.00 0.00 C ATOM 283 C ASP A 18 -1.201 -11.449 -2.532 1.00 0.00 C ATOM 284 O ASP A 18 -0.976 -11.940 -1.426 1.00 0.00 O ATOM 285 CB ASP A 18 -3.192 -11.819 -4.002 1.00 0.00 C ATOM 286 CG ASP A 18 -4.608 -12.258 -3.690 1.00 0.00 C ATOM 287 OD1 ASP A 18 -4.781 -13.098 -2.781 1.00 0.00 O ATOM 288 OD2 ASP A 18 -5.543 -11.761 -4.351 1.00 0.00 O ATOM 0 H ASP A 18 -2.823 -9.407 -4.299 1.00 0.00 H new ATOM 0 HA ASP A 18 -3.220 -11.011 -2.003 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -3.184 -11.266 -4.941 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -2.564 -12.699 -4.145 1.00 0.00 H new ATOM 293 N ASN A 19 -0.270 -11.338 -3.475 1.00 0.00 N ATOM 294 CA ASN A 19 1.102 -11.800 -3.252 1.00 0.00 C ATOM 295 C ASN A 19 1.781 -11.010 -2.137 1.00 0.00 C ATOM 296 O ASN A 19 2.359 -11.592 -1.219 1.00 0.00 O ATOM 297 CB ASN A 19 1.936 -11.709 -4.538 1.00 0.00 C ATOM 298 CG ASN A 19 1.545 -10.543 -5.427 1.00 0.00 C ATOM 299 OD1 ASN A 19 1.757 -9.383 -5.077 1.00 0.00 O ATOM 300 ND2 ASN A 19 0.972 -10.851 -6.586 1.00 0.00 N ATOM 0 H ASN A 19 -0.436 -10.935 -4.397 1.00 0.00 H new ATOM 0 HA ASN A 19 1.042 -12.845 -2.949 1.00 0.00 H new ATOM 0 HB2 ASN A 19 2.990 -11.618 -4.274 1.00 0.00 H new ATOM 0 HB3 ASN A 19 1.827 -12.637 -5.099 1.00 0.00 H new ATOM 0 HD21 ASN A 19 0.688 -10.110 -7.227 1.00 0.00 H new ATOM 0 HD22 ASN A 19 0.816 -11.828 -6.834 1.00 0.00 H new ATOM 307 N ALA A 20 1.709 -9.685 -2.217 1.00 0.00 N ATOM 308 CA ALA A 20 2.322 -8.823 -1.211 1.00 0.00 C ATOM 309 C ALA A 20 1.888 -9.227 0.194 1.00 0.00 C ATOM 310 O ALA A 20 2.709 -9.324 1.107 1.00 0.00 O ATOM 311 CB ALA A 20 1.969 -7.369 -1.478 1.00 0.00 C ATOM 0 H ALA A 20 1.233 -9.185 -2.967 1.00 0.00 H new ATOM 0 HA ALA A 20 3.404 -8.940 -1.276 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.433 -6.737 -0.720 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.334 -7.081 -2.464 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.887 -7.245 -1.441 1.00 0.00 H new ATOM 317 N LYS A 21 0.593 -9.470 0.355 1.00 0.00 N ATOM 318 CA LYS A 21 0.042 -9.868 1.647 1.00 0.00 C ATOM 319 C LYS A 21 0.589 -11.227 2.074 1.00 0.00 C ATOM 320 O LYS A 21 1.070 -11.389 3.195 1.00 0.00 O ATOM 321 CB LYS A 21 -1.485 -9.922 1.575 1.00 0.00 C ATOM 322 CG LYS A 21 -2.151 -10.122 2.926 1.00 0.00 C ATOM 323 CD LYS A 21 -3.457 -10.889 2.798 1.00 0.00 C ATOM 324 CE LYS A 21 -4.297 -10.772 4.059 1.00 0.00 C ATOM 325 NZ LYS A 21 -5.364 -9.742 3.924 1.00 0.00 N ATOM 0 H LYS A 21 -0.097 -9.399 -0.393 1.00 0.00 H new ATOM 0 HA LYS A 21 0.340 -9.126 2.388 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.852 -8.997 1.132 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.781 -10.733 0.910 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.475 -10.662 3.589 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.342 -9.152 3.386 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -4.022 -10.509 1.947 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -3.245 -11.939 2.597 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -4.751 -11.737 4.283 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.653 -10.519 4.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -5.914 -9.694 4.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -4.930 -8.816 3.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -5.994 -9.996 3.137 1.00 0.00 H new ATOM 339 N ARG A 22 0.511 -12.203 1.172 1.00 0.00 N ATOM 340 CA ARG A 22 0.997 -13.551 1.454 1.00 0.00 C ATOM 341 C ARG A 22 2.457 -13.526 1.895 1.00 0.00 C ATOM 342 O ARG A 22 2.857 -14.261 2.798 1.00 0.00 O ATOM 343 CB ARG A 22 0.840 -14.441 0.220 1.00 0.00 C ATOM 344 CG ARG A 22 0.647 -15.912 0.551 1.00 0.00 C ATOM 345 CD ARG A 22 1.968 -16.664 0.537 1.00 0.00 C ATOM 346 NE ARG A 22 2.215 -17.315 -0.748 1.00 0.00 N ATOM 347 CZ ARG A 22 1.527 -18.365 -1.190 1.00 0.00 C ATOM 348 NH1 ARG A 22 0.549 -18.883 -0.458 1.00 0.00 N ATOM 349 NH2 ARG A 22 1.816 -18.897 -2.370 1.00 0.00 N ATOM 0 H ARG A 22 0.116 -12.085 0.239 1.00 0.00 H new ATOM 0 HA ARG A 22 0.399 -13.961 2.268 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -0.013 -14.093 -0.362 1.00 0.00 H new ATOM 0 HB3 ARG A 22 1.722 -14.332 -0.411 1.00 0.00 H new ATOM 0 HG2 ARG A 22 0.183 -16.007 1.533 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -0.036 -16.362 -0.169 1.00 0.00 H new ATOM 0 HD2 ARG A 22 2.781 -15.972 0.755 1.00 0.00 H new ATOM 0 HD3 ARG A 22 1.967 -17.413 1.329 1.00 0.00 H new ATOM 0 HE ARG A 22 2.958 -16.943 -1.340 1.00 0.00 H new ATOM 0 HH11 ARG A 22 0.321 -18.476 0.449 1.00 0.00 H new ATOM 0 HH12 ARG A 22 0.025 -19.688 -0.802 1.00 0.00 H new ATOM 0 HH21 ARG A 22 2.565 -18.501 -2.938 1.00 0.00 H new ATOM 0 HH22 ARG A 22 1.289 -19.702 -2.709 1.00 0.00 H new ATOM 363 N LEU A 23 3.247 -12.668 1.255 1.00 0.00 N ATOM 364 CA LEU A 23 4.662 -12.539 1.581 1.00 0.00 C ATOM 365 C LEU A 23 4.839 -12.176 3.051 1.00 0.00 C ATOM 366 O LEU A 23 5.550 -12.855 3.790 1.00 0.00 O ATOM 367 CB LEU A 23 5.310 -11.473 0.689 1.00 0.00 C ATOM 368 CG LEU A 23 6.690 -10.983 1.137 1.00 0.00 C ATOM 369 CD1 LEU A 23 7.461 -10.418 -0.045 1.00 0.00 C ATOM 370 CD2 LEU A 23 6.556 -9.935 2.233 1.00 0.00 C ATOM 0 H LEU A 23 2.930 -12.052 0.507 1.00 0.00 H new ATOM 0 HA LEU A 23 5.151 -13.496 1.401 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.397 -11.874 -0.321 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.640 -10.615 0.634 1.00 0.00 H new ATOM 0 HG LEU A 23 7.243 -11.832 1.539 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.440 -10.074 0.290 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.588 -11.193 -0.801 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.909 -9.581 -0.473 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.547 -9.599 2.538 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.985 -9.086 1.857 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.040 -10.368 3.090 1.00 0.00 H new ATOM 382 N LEU A 24 4.181 -11.100 3.466 1.00 0.00 N ATOM 383 CA LEU A 24 4.259 -10.640 4.847 1.00 0.00 C ATOM 384 C LEU A 24 3.828 -11.742 5.808 1.00 0.00 C ATOM 385 O LEU A 24 4.484 -11.987 6.820 1.00 0.00 O ATOM 386 CB LEU A 24 3.385 -9.402 5.041 1.00 0.00 C ATOM 387 CG LEU A 24 3.918 -8.131 4.379 1.00 0.00 C ATOM 388 CD1 LEU A 24 2.775 -7.281 3.854 1.00 0.00 C ATOM 389 CD2 LEU A 24 4.766 -7.337 5.361 1.00 0.00 C ATOM 0 H LEU A 24 3.587 -10.529 2.865 1.00 0.00 H new ATOM 0 HA LEU A 24 5.295 -10.380 5.064 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.391 -9.611 4.646 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.272 -9.218 6.109 1.00 0.00 H new ATOM 0 HG LEU A 24 4.545 -8.420 3.535 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.175 -6.381 3.387 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.207 -7.850 3.118 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.121 -7.001 4.680 1.00 0.00 H new ATOM 0 HD21 LEU A 24 5.138 -6.435 4.874 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.160 -7.060 6.224 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.608 -7.946 5.689 1.00 0.00 H new ATOM 401 N THR A 25 2.727 -12.411 5.479 1.00 0.00 N ATOM 402 CA THR A 25 2.219 -13.495 6.311 1.00 0.00 C ATOM 403 C THR A 25 3.270 -14.593 6.444 1.00 0.00 C ATOM 404 O THR A 25 3.455 -15.169 7.515 1.00 0.00 O ATOM 405 CB THR A 25 0.935 -14.070 5.712 1.00 0.00 C ATOM 406 OG1 THR A 25 -0.017 -13.044 5.488 1.00 0.00 O ATOM 407 CG2 THR A 25 0.283 -15.118 6.588 1.00 0.00 C ATOM 0 H THR A 25 2.171 -12.222 4.645 1.00 0.00 H new ATOM 0 HA THR A 25 1.996 -13.097 7.301 1.00 0.00 H new ATOM 0 HB THR A 25 1.238 -14.539 4.776 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.228 -12.541 4.684 1.00 0.00 H new ATOM 0 HG21 THR A 25 -0.623 -15.484 6.104 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.974 -15.947 6.739 1.00 0.00 H new ATOM 0 HG23 THR A 25 0.027 -14.678 7.552 1.00 0.00 H new ATOM 415 N VAL A 26 3.963 -14.864 5.342 1.00 0.00 N ATOM 416 CA VAL A 26 5.009 -15.880 5.319 1.00 0.00 C ATOM 417 C VAL A 26 6.274 -15.365 5.996 1.00 0.00 C ATOM 418 O VAL A 26 7.017 -16.128 6.616 1.00 0.00 O ATOM 419 CB VAL A 26 5.340 -16.302 3.873 1.00 0.00 C ATOM 420 CG1 VAL A 26 6.417 -17.377 3.855 1.00 0.00 C ATOM 421 CG2 VAL A 26 4.087 -16.782 3.158 1.00 0.00 C ATOM 0 H VAL A 26 3.818 -14.392 4.450 1.00 0.00 H new ATOM 0 HA VAL A 26 4.636 -16.747 5.864 1.00 0.00 H new ATOM 0 HB VAL A 26 5.725 -15.431 3.343 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.633 -17.658 2.824 1.00 0.00 H new ATOM 0 HG12 VAL A 26 7.323 -16.992 4.324 1.00 0.00 H new ATOM 0 HG13 VAL A 26 6.067 -18.251 4.404 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.339 -17.076 2.139 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.670 -17.637 3.689 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.352 -15.977 3.132 1.00 0.00 H new ATOM 431 N LYS A 27 6.510 -14.062 5.875 1.00 0.00 N ATOM 432 CA LYS A 27 7.681 -13.433 6.476 1.00 0.00 C ATOM 433 C LYS A 27 7.494 -13.251 7.984 1.00 0.00 C ATOM 434 O LYS A 27 8.435 -12.896 8.694 1.00 0.00 O ATOM 435 CB LYS A 27 7.954 -12.080 5.812 1.00 0.00 C ATOM 436 CG LYS A 27 9.333 -11.976 5.177 1.00 0.00 C ATOM 437 CD LYS A 27 10.370 -11.486 6.173 1.00 0.00 C ATOM 438 CE LYS A 27 11.753 -12.028 5.853 1.00 0.00 C ATOM 439 NZ LYS A 27 12.757 -11.621 6.876 1.00 0.00 N ATOM 0 H LYS A 27 5.904 -13.420 5.365 1.00 0.00 H new ATOM 0 HA LYS A 27 8.537 -14.088 6.316 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.198 -11.901 5.048 1.00 0.00 H new ATOM 0 HB3 LYS A 27 7.847 -11.292 6.557 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.631 -12.951 4.790 1.00 0.00 H new ATOM 0 HG3 LYS A 27 9.293 -11.294 4.327 1.00 0.00 H new ATOM 0 HD2 LYS A 27 10.395 -10.396 6.166 1.00 0.00 H new ATOM 0 HD3 LYS A 27 10.082 -11.792 7.179 1.00 0.00 H new ATOM 0 HE2 LYS A 27 11.713 -13.116 5.796 1.00 0.00 H new ATOM 0 HE3 LYS A 27 12.066 -11.669 4.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 13.688 -12.010 6.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 12.814 -10.583 6.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 12.471 -11.985 7.807 1.00 0.00 H new ATOM 453 N LYS A 28 6.272 -13.488 8.465 1.00 0.00 N ATOM 454 CA LYS A 28 5.961 -13.346 9.886 1.00 0.00 C ATOM 455 C LYS A 28 6.041 -11.884 10.314 1.00 0.00 C ATOM 456 O LYS A 28 6.844 -11.519 11.174 1.00 0.00 O ATOM 457 CB LYS A 28 6.908 -14.200 10.735 1.00 0.00 C ATOM 458 CG LYS A 28 6.341 -15.564 11.094 1.00 0.00 C ATOM 459 CD LYS A 28 5.696 -15.554 12.470 1.00 0.00 C ATOM 460 CE LYS A 28 4.453 -14.679 12.496 1.00 0.00 C ATOM 461 NZ LYS A 28 3.913 -14.522 13.875 1.00 0.00 N ATOM 0 H LYS A 28 5.482 -13.779 7.889 1.00 0.00 H new ATOM 0 HA LYS A 28 4.941 -13.697 10.045 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.844 -14.336 10.194 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.145 -13.662 11.653 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.604 -15.861 10.348 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.137 -16.308 11.069 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.432 -16.572 12.757 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.413 -15.191 13.207 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.691 -13.698 12.086 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.688 -15.116 11.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 3.066 -13.919 13.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.662 -15.456 14.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.634 -14.082 14.482 1.00 0.00 H new ATOM 475 N GLN A 29 5.203 -11.052 9.707 1.00 0.00 N ATOM 476 CA GLN A 29 5.180 -9.630 10.023 1.00 0.00 C ATOM 477 C GLN A 29 3.751 -9.093 10.045 1.00 0.00 C ATOM 478 O GLN A 29 2.938 -9.435 9.187 1.00 0.00 O ATOM 479 CB GLN A 29 6.008 -8.851 8.999 1.00 0.00 C ATOM 480 CG GLN A 29 7.469 -8.702 9.387 1.00 0.00 C ATOM 481 CD GLN A 29 7.678 -7.677 10.486 1.00 0.00 C ATOM 482 OE1 GLN A 29 7.716 -6.474 10.230 1.00 0.00 O ATOM 483 NE2 GLN A 29 7.820 -8.151 11.718 1.00 0.00 N ATOM 0 H GLN A 29 4.532 -11.338 8.994 1.00 0.00 H new ATOM 0 HA GLN A 29 5.611 -9.499 11.015 1.00 0.00 H new ATOM 0 HB2 GLN A 29 5.946 -9.355 8.035 1.00 0.00 H new ATOM 0 HB3 GLN A 29 5.572 -7.860 8.869 1.00 0.00 H new ATOM 0 HG2 GLN A 29 7.854 -9.667 9.717 1.00 0.00 H new ATOM 0 HG3 GLN A 29 8.047 -8.412 8.509 1.00 0.00 H new ATOM 0 HE21 GLN A 29 7.782 -9.156 11.885 1.00 0.00 H new ATOM 0 HE22 GLN A 29 7.967 -7.510 12.497 1.00 0.00 H new ATOM 492 N PRO A 30 3.427 -8.229 11.024 1.00 0.00 N ATOM 493 CA PRO A 30 2.097 -7.633 11.143 1.00 0.00 C ATOM 494 C PRO A 30 1.947 -6.421 10.239 1.00 0.00 C ATOM 495 O PRO A 30 2.885 -5.641 10.083 1.00 0.00 O ATOM 496 CB PRO A 30 2.061 -7.204 12.603 1.00 0.00 C ATOM 497 CG PRO A 30 3.464 -6.788 12.874 1.00 0.00 C ATOM 498 CD PRO A 30 4.332 -7.744 12.090 1.00 0.00 C ATOM 0 HA PRO A 30 1.297 -8.316 10.856 1.00 0.00 H new ATOM 0 HB2 PRO A 30 1.361 -6.385 12.764 1.00 0.00 H new ATOM 0 HB3 PRO A 30 1.751 -8.021 13.255 1.00 0.00 H new ATOM 0 HG2 PRO A 30 3.634 -5.758 12.561 1.00 0.00 H new ATOM 0 HG3 PRO A 30 3.689 -6.839 13.939 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.209 -7.245 11.677 1.00 0.00 H new ATOM 0 HD3 PRO A 30 4.694 -8.562 12.713 1.00 0.00 H new ATOM 506 N PHE A 31 0.774 -6.253 9.646 1.00 0.00 N ATOM 507 CA PHE A 31 0.544 -5.118 8.765 1.00 0.00 C ATOM 508 C PHE A 31 -0.926 -4.720 8.711 1.00 0.00 C ATOM 509 O PHE A 31 -1.793 -5.437 9.210 1.00 0.00 O ATOM 510 CB PHE A 31 1.042 -5.430 7.377 1.00 0.00 C ATOM 511 CG PHE A 31 0.318 -6.577 6.763 1.00 0.00 C ATOM 512 CD1 PHE A 31 0.724 -7.869 7.025 1.00 0.00 C ATOM 513 CD2 PHE A 31 -0.777 -6.368 5.952 1.00 0.00 C ATOM 514 CE1 PHE A 31 0.051 -8.941 6.486 1.00 0.00 C ATOM 515 CE2 PHE A 31 -1.458 -7.433 5.404 1.00 0.00 C ATOM 516 CZ PHE A 31 -1.045 -8.726 5.672 1.00 0.00 C ATOM 0 H PHE A 31 -0.024 -6.879 9.757 1.00 0.00 H new ATOM 0 HA PHE A 31 1.098 -4.273 9.173 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.926 -4.549 6.745 1.00 0.00 H new ATOM 0 HB3 PHE A 31 2.108 -5.655 7.418 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.580 -8.041 7.661 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.104 -5.360 5.744 1.00 0.00 H new ATOM 0 HE1 PHE A 31 0.378 -9.948 6.698 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -2.312 -7.259 4.767 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.577 -9.564 5.247 1.00 0.00 H new ATOM 526 N GLU A 32 -1.200 -3.572 8.091 1.00 0.00 N ATOM 527 CA GLU A 32 -2.570 -3.082 7.964 1.00 0.00 C ATOM 528 C GLU A 32 -2.804 -2.455 6.593 1.00 0.00 C ATOM 529 O GLU A 32 -1.937 -1.766 6.056 1.00 0.00 O ATOM 530 CB GLU A 32 -2.884 -2.062 9.061 1.00 0.00 C ATOM 531 CG GLU A 32 -4.009 -2.498 9.987 1.00 0.00 C ATOM 532 CD GLU A 32 -4.464 -1.389 10.915 1.00 0.00 C ATOM 533 OE1 GLU A 32 -3.714 -1.057 11.857 1.00 0.00 O ATOM 534 OE2 GLU A 32 -5.571 -0.852 10.700 1.00 0.00 O ATOM 0 H GLU A 32 -0.494 -2.967 7.671 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.238 -3.937 8.073 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -1.985 -1.886 9.652 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -3.152 -1.112 8.598 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.855 -2.837 9.390 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -3.676 -3.350 10.580 1.00 0.00 H new ATOM 541 N PHE A 33 -3.982 -2.705 6.036 1.00 0.00 N ATOM 542 CA PHE A 33 -4.345 -2.179 4.732 1.00 0.00 C ATOM 543 C PHE A 33 -5.017 -0.813 4.851 1.00 0.00 C ATOM 544 O PHE A 33 -5.505 -0.437 5.915 1.00 0.00 O ATOM 545 CB PHE A 33 -5.285 -3.156 4.033 1.00 0.00 C ATOM 546 CG PHE A 33 -5.295 -3.007 2.547 1.00 0.00 C ATOM 547 CD1 PHE A 33 -4.179 -3.340 1.805 1.00 0.00 C ATOM 548 CD2 PHE A 33 -6.417 -2.529 1.895 1.00 0.00 C ATOM 549 CE1 PHE A 33 -4.180 -3.202 0.430 1.00 0.00 C ATOM 550 CE2 PHE A 33 -6.425 -2.385 0.523 1.00 0.00 C ATOM 551 CZ PHE A 33 -5.305 -2.723 -0.211 1.00 0.00 C ATOM 0 H PHE A 33 -4.706 -3.274 6.474 1.00 0.00 H new ATOM 0 HA PHE A 33 -3.434 -2.057 4.147 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -4.993 -4.175 4.287 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -6.296 -3.011 4.412 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -3.297 -3.712 2.304 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -7.296 -2.266 2.465 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -3.303 -3.468 -0.142 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -7.306 -2.009 0.024 1.00 0.00 H new ATOM 0 HZ PHE A 33 -5.309 -2.613 -1.285 1.00 0.00 H new ATOM 561 N ILE A 34 -5.042 -0.084 3.739 1.00 0.00 N ATOM 562 CA ILE A 34 -5.658 1.237 3.688 1.00 0.00 C ATOM 563 C ILE A 34 -6.257 1.484 2.313 1.00 0.00 C ATOM 564 O ILE A 34 -5.560 1.443 1.299 1.00 0.00 O ATOM 565 CB ILE A 34 -4.660 2.360 4.013 1.00 0.00 C ATOM 566 CG1 ILE A 34 -3.818 1.982 5.229 1.00 0.00 C ATOM 567 CG2 ILE A 34 -5.397 3.669 4.255 1.00 0.00 C ATOM 568 CD1 ILE A 34 -2.666 2.927 5.488 1.00 0.00 C ATOM 0 H ILE A 34 -4.639 -0.390 2.854 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.440 1.252 4.447 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.994 2.495 3.161 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.459 1.955 6.110 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.426 0.975 5.089 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.677 4.455 4.484 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -5.959 3.941 3.361 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.084 3.550 5.093 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.113 2.595 6.367 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.002 2.936 4.624 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.051 3.932 5.660 1.00 0.00 H new ATOM 580 N ASN A 35 -7.554 1.724 2.292 1.00 0.00 N ATOM 581 CA ASN A 35 -8.273 1.962 1.046 1.00 0.00 C ATOM 582 C ASN A 35 -8.415 3.451 0.758 1.00 0.00 C ATOM 583 O ASN A 35 -8.829 4.228 1.618 1.00 0.00 O ATOM 584 CB ASN A 35 -9.655 1.310 1.097 1.00 0.00 C ATOM 585 CG ASN A 35 -10.423 1.673 2.353 1.00 0.00 C ATOM 586 OD1 ASN A 35 -11.083 2.710 2.413 1.00 0.00 O ATOM 587 ND2 ASN A 35 -10.338 0.819 3.366 1.00 0.00 N ATOM 0 H ASN A 35 -8.138 1.760 3.127 1.00 0.00 H new ATOM 0 HA ASN A 35 -7.692 1.515 0.240 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -10.230 1.616 0.223 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -9.544 0.227 1.043 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -10.832 1.011 4.238 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -9.779 -0.029 3.273 1.00 0.00 H new ATOM 594 N ILE A 36 -8.079 3.837 -0.469 1.00 0.00 N ATOM 595 CA ILE A 36 -8.177 5.228 -0.887 1.00 0.00 C ATOM 596 C ILE A 36 -9.441 5.462 -1.708 1.00 0.00 C ATOM 597 O ILE A 36 -9.946 6.582 -1.779 1.00 0.00 O ATOM 598 CB ILE A 36 -6.951 5.663 -1.712 1.00 0.00 C ATOM 599 CG1 ILE A 36 -6.846 4.833 -2.996 1.00 0.00 C ATOM 600 CG2 ILE A 36 -5.682 5.536 -0.884 1.00 0.00 C ATOM 601 CD1 ILE A 36 -7.307 5.574 -4.231 1.00 0.00 C ATOM 0 H ILE A 36 -7.736 3.203 -1.191 1.00 0.00 H new ATOM 0 HA ILE A 36 -8.217 5.828 0.022 1.00 0.00 H new ATOM 0 HB ILE A 36 -7.075 6.709 -1.991 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.811 4.521 -3.134 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -7.440 3.926 -2.883 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.825 5.847 -1.481 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.759 6.171 -0.001 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.551 4.499 -0.575 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -7.205 4.927 -5.103 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -8.351 5.863 -4.113 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -6.697 6.467 -4.369 1.00 0.00 H new ATOM 613 N MET A 37 -9.946 4.398 -2.330 1.00 0.00 N ATOM 614 CA MET A 37 -11.150 4.490 -3.146 1.00 0.00 C ATOM 615 C MET A 37 -12.287 3.681 -2.526 1.00 0.00 C ATOM 616 O MET A 37 -12.541 2.545 -2.927 1.00 0.00 O ATOM 617 CB MET A 37 -10.873 3.996 -4.570 1.00 0.00 C ATOM 618 CG MET A 37 -11.999 4.290 -5.551 1.00 0.00 C ATOM 619 SD MET A 37 -12.071 3.097 -6.903 1.00 0.00 S ATOM 620 CE MET A 37 -10.604 3.543 -7.829 1.00 0.00 C ATOM 0 H MET A 37 -9.539 3.464 -2.283 1.00 0.00 H new ATOM 0 HA MET A 37 -11.450 5.537 -3.188 1.00 0.00 H new ATOM 0 HB2 MET A 37 -9.956 4.460 -4.934 1.00 0.00 H new ATOM 0 HB3 MET A 37 -10.698 2.921 -4.544 1.00 0.00 H new ATOM 0 HG2 MET A 37 -12.950 4.287 -5.018 1.00 0.00 H new ATOM 0 HG3 MET A 37 -11.866 5.291 -5.961 1.00 0.00 H new ATOM 0 HE1 MET A 37 -10.854 3.631 -8.886 1.00 0.00 H new ATOM 0 HE2 MET A 37 -10.221 4.497 -7.466 1.00 0.00 H new ATOM 0 HE3 MET A 37 -9.843 2.773 -7.699 1.00 0.00 H new ATOM 630 N PRO A 38 -12.993 4.257 -1.536 1.00 0.00 N ATOM 631 CA PRO A 38 -14.106 3.586 -0.865 1.00 0.00 C ATOM 632 C PRO A 38 -15.408 3.680 -1.656 1.00 0.00 C ATOM 633 O PRO A 38 -16.470 3.293 -1.170 1.00 0.00 O ATOM 634 CB PRO A 38 -14.224 4.356 0.446 1.00 0.00 C ATOM 635 CG PRO A 38 -13.786 5.739 0.108 1.00 0.00 C ATOM 636 CD PRO A 38 -12.761 5.610 -0.992 1.00 0.00 C ATOM 0 HA PRO A 38 -13.929 2.517 -0.743 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -15.247 4.345 0.822 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -13.595 3.919 1.221 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -14.632 6.344 -0.219 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -13.358 6.234 0.980 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -12.896 6.376 -1.756 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -11.747 5.718 -0.608 1.00 0.00 H new ATOM 644 N GLU A 39 -15.319 4.195 -2.878 1.00 0.00 N ATOM 645 CA GLU A 39 -16.484 4.337 -3.736 1.00 0.00 C ATOM 646 C GLU A 39 -16.133 3.968 -5.171 1.00 0.00 C ATOM 647 O GLU A 39 -15.145 4.453 -5.723 1.00 0.00 O ATOM 648 CB GLU A 39 -17.017 5.772 -3.677 1.00 0.00 C ATOM 649 CG GLU A 39 -18.528 5.866 -3.808 1.00 0.00 C ATOM 650 CD GLU A 39 -18.983 7.199 -4.371 1.00 0.00 C ATOM 651 OE1 GLU A 39 -18.724 7.457 -5.566 1.00 0.00 O ATOM 652 OE2 GLU A 39 -19.600 7.983 -3.619 1.00 0.00 O ATOM 0 H GLU A 39 -14.447 4.521 -3.295 1.00 0.00 H new ATOM 0 HA GLU A 39 -17.260 3.660 -3.380 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -16.714 6.225 -2.733 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -16.555 6.355 -4.473 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -18.884 5.063 -4.453 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -18.984 5.714 -2.830 1.00 0.00 H new ATOM 659 N LYS A 40 -16.945 3.105 -5.772 1.00 0.00 N ATOM 660 CA LYS A 40 -16.711 2.663 -7.145 1.00 0.00 C ATOM 661 C LYS A 40 -16.718 3.826 -8.129 1.00 0.00 C ATOM 662 O LYS A 40 -16.385 3.669 -9.304 1.00 0.00 O ATOM 663 CB LYS A 40 -17.745 1.613 -7.560 1.00 0.00 C ATOM 664 CG LYS A 40 -17.207 0.583 -8.539 1.00 0.00 C ATOM 665 CD LYS A 40 -18.302 0.057 -9.453 1.00 0.00 C ATOM 666 CE LYS A 40 -17.725 -0.708 -10.634 1.00 0.00 C ATOM 667 NZ LYS A 40 -17.014 -1.943 -10.204 1.00 0.00 N ATOM 0 H LYS A 40 -17.770 2.697 -5.332 1.00 0.00 H new ATOM 0 HA LYS A 40 -15.718 2.214 -7.172 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -18.108 1.100 -6.669 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -18.601 2.116 -8.009 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -16.414 1.029 -9.139 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -16.762 -0.246 -7.989 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -18.968 -0.594 -8.887 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -18.904 0.889 -9.817 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -18.528 -0.973 -11.322 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -17.036 -0.065 -11.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -16.651 -2.443 -11.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -16.221 -1.688 -9.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -17.673 -2.562 -9.690 1.00 0.00 H new ATOM 681 N GLY A 41 -17.094 4.983 -7.632 1.00 0.00 N ATOM 682 CA GLY A 41 -17.147 6.183 -8.452 1.00 0.00 C ATOM 683 C GLY A 41 -15.910 7.044 -8.295 1.00 0.00 C ATOM 684 O GLY A 41 -15.079 7.121 -9.200 1.00 0.00 O ATOM 0 H GLY A 41 -17.370 5.123 -6.660 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -17.259 5.900 -9.499 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -18.028 6.765 -8.183 1.00 0.00 H new ATOM 688 N VAL A 42 -15.785 7.687 -7.139 1.00 0.00 N ATOM 689 CA VAL A 42 -14.640 8.542 -6.861 1.00 0.00 C ATOM 690 C VAL A 42 -13.992 8.165 -5.537 1.00 0.00 C ATOM 691 O VAL A 42 -14.677 7.963 -4.535 1.00 0.00 O ATOM 692 CB VAL A 42 -15.038 10.029 -6.821 1.00 0.00 C ATOM 693 CG1 VAL A 42 -13.802 10.912 -6.732 1.00 0.00 C ATOM 694 CG2 VAL A 42 -15.875 10.393 -8.037 1.00 0.00 C ATOM 0 H VAL A 42 -16.464 7.631 -6.380 1.00 0.00 H new ATOM 0 HA VAL A 42 -13.928 8.392 -7.672 1.00 0.00 H new ATOM 0 HB VAL A 42 -15.642 10.199 -5.930 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -14.104 11.959 -6.705 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -13.247 10.671 -5.825 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -13.168 10.740 -7.602 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -16.146 11.448 -7.990 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -15.300 10.206 -8.944 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -16.780 9.786 -8.050 1.00 0.00 H new ATOM 704 N PHE A 43 -12.668 8.063 -5.537 1.00 0.00 N ATOM 705 CA PHE A 43 -11.939 7.700 -4.328 1.00 0.00 C ATOM 706 C PHE A 43 -12.027 8.796 -3.274 1.00 0.00 C ATOM 707 O PHE A 43 -12.424 9.924 -3.564 1.00 0.00 O ATOM 708 CB PHE A 43 -10.471 7.389 -4.635 1.00 0.00 C ATOM 709 CG PHE A 43 -9.885 8.227 -5.728 1.00 0.00 C ATOM 710 CD1 PHE A 43 -10.008 9.603 -5.699 1.00 0.00 C ATOM 711 CD2 PHE A 43 -9.214 7.636 -6.781 1.00 0.00 C ATOM 712 CE1 PHE A 43 -9.471 10.382 -6.706 1.00 0.00 C ATOM 713 CE2 PHE A 43 -8.673 8.406 -7.793 1.00 0.00 C ATOM 714 CZ PHE A 43 -8.802 9.782 -7.755 1.00 0.00 C ATOM 0 H PHE A 43 -12.081 8.225 -6.355 1.00 0.00 H new ATOM 0 HA PHE A 43 -12.410 6.801 -3.931 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -9.883 7.531 -3.728 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -10.383 6.338 -4.911 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -10.530 10.075 -4.880 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -9.111 6.561 -6.814 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -9.574 11.457 -6.673 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -8.151 7.934 -8.612 1.00 0.00 H new ATOM 0 HZ PHE A 43 -8.380 10.387 -8.544 1.00 0.00 H new ATOM 724 N ASP A 44 -11.656 8.448 -2.046 1.00 0.00 N ATOM 725 CA ASP A 44 -11.698 9.389 -0.934 1.00 0.00 C ATOM 726 C ASP A 44 -10.470 10.298 -0.928 1.00 0.00 C ATOM 727 O ASP A 44 -9.334 9.825 -0.914 1.00 0.00 O ATOM 728 CB ASP A 44 -11.792 8.634 0.393 1.00 0.00 C ATOM 729 CG ASP A 44 -12.114 9.550 1.556 1.00 0.00 C ATOM 730 OD1 ASP A 44 -12.875 10.520 1.355 1.00 0.00 O ATOM 731 OD2 ASP A 44 -11.607 9.296 2.669 1.00 0.00 O ATOM 0 H ASP A 44 -11.322 7.517 -1.796 1.00 0.00 H new ATOM 0 HA ASP A 44 -12.583 10.013 -1.058 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -12.560 7.864 0.317 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -10.848 8.124 0.586 1.00 0.00 H new ATOM 736 N ASP A 45 -10.708 11.607 -0.931 1.00 0.00 N ATOM 737 CA ASP A 45 -9.625 12.586 -0.923 1.00 0.00 C ATOM 738 C ASP A 45 -8.984 12.689 0.459 1.00 0.00 C ATOM 739 O ASP A 45 -7.822 13.075 0.584 1.00 0.00 O ATOM 740 CB ASP A 45 -10.149 13.957 -1.355 1.00 0.00 C ATOM 741 CG ASP A 45 -10.256 14.088 -2.861 1.00 0.00 C ATOM 742 OD1 ASP A 45 -10.825 13.176 -3.497 1.00 0.00 O ATOM 743 OD2 ASP A 45 -9.769 15.102 -3.405 1.00 0.00 O ATOM 0 H ASP A 45 -11.643 12.015 -0.939 1.00 0.00 H new ATOM 0 HA ASP A 45 -8.865 12.251 -1.629 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -11.129 14.125 -0.908 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -9.486 14.733 -0.972 1.00 0.00 H new ATOM 748 N GLU A 46 -9.744 12.340 1.495 1.00 0.00 N ATOM 749 CA GLU A 46 -9.239 12.395 2.863 1.00 0.00 C ATOM 750 C GLU A 46 -7.970 11.564 3.000 1.00 0.00 C ATOM 751 O GLU A 46 -6.949 12.047 3.489 1.00 0.00 O ATOM 752 CB GLU A 46 -10.298 11.898 3.848 1.00 0.00 C ATOM 753 CG GLU A 46 -9.952 12.174 5.300 1.00 0.00 C ATOM 754 CD GLU A 46 -11.006 11.659 6.260 1.00 0.00 C ATOM 755 OE1 GLU A 46 -11.038 10.435 6.505 1.00 0.00 O ATOM 756 OE2 GLU A 46 -11.799 12.480 6.767 1.00 0.00 O ATOM 0 H GLU A 46 -10.708 12.017 1.413 1.00 0.00 H new ATOM 0 HA GLU A 46 -9.004 13.434 3.096 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -11.251 12.372 3.614 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -10.433 10.825 3.713 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -8.994 11.710 5.536 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -9.830 13.248 5.443 1.00 0.00 H new ATOM 763 N LYS A 47 -8.037 10.316 2.551 1.00 0.00 N ATOM 764 CA LYS A 47 -6.885 9.426 2.609 1.00 0.00 C ATOM 765 C LYS A 47 -5.834 9.864 1.600 1.00 0.00 C ATOM 766 O LYS A 47 -4.635 9.833 1.878 1.00 0.00 O ATOM 767 CB LYS A 47 -7.306 7.981 2.338 1.00 0.00 C ATOM 768 CG LYS A 47 -8.508 7.535 3.153 1.00 0.00 C ATOM 769 CD LYS A 47 -8.084 6.901 4.466 1.00 0.00 C ATOM 770 CE LYS A 47 -9.105 7.153 5.564 1.00 0.00 C ATOM 771 NZ LYS A 47 -9.076 8.565 6.036 1.00 0.00 N ATOM 0 H LYS A 47 -8.874 9.899 2.144 1.00 0.00 H new ATOM 0 HA LYS A 47 -6.458 9.478 3.611 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -7.535 7.871 1.278 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -6.466 7.320 2.553 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -9.152 8.391 3.352 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -9.096 6.821 2.576 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -7.955 5.828 4.328 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -7.117 7.302 4.769 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -10.102 6.914 5.194 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -8.908 6.486 6.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -8.625 8.609 6.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -8.535 9.145 5.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -10.048 8.929 6.103 1.00 0.00 H new ATOM 785 N ILE A 48 -6.298 10.287 0.427 1.00 0.00 N ATOM 786 CA ILE A 48 -5.405 10.748 -0.627 1.00 0.00 C ATOM 787 C ILE A 48 -4.555 11.916 -0.136 1.00 0.00 C ATOM 788 O ILE A 48 -3.375 12.023 -0.469 1.00 0.00 O ATOM 789 CB ILE A 48 -6.203 11.183 -1.877 1.00 0.00 C ATOM 790 CG1 ILE A 48 -6.916 9.978 -2.497 1.00 0.00 C ATOM 791 CG2 ILE A 48 -5.296 11.848 -2.903 1.00 0.00 C ATOM 792 CD1 ILE A 48 -8.071 10.360 -3.397 1.00 0.00 C ATOM 0 H ILE A 48 -7.288 10.319 0.184 1.00 0.00 H new ATOM 0 HA ILE A 48 -4.754 9.917 -0.896 1.00 0.00 H new ATOM 0 HB ILE A 48 -6.950 11.913 -1.565 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -6.196 9.395 -3.071 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -7.285 9.333 -1.699 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -5.885 12.144 -3.772 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -4.833 12.730 -2.461 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -4.521 11.147 -3.212 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -8.530 9.458 -3.802 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -8.811 10.918 -2.823 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -7.705 10.980 -4.216 1.00 0.00 H new ATOM 804 N ALA A 49 -5.162 12.786 0.665 1.00 0.00 N ATOM 805 CA ALA A 49 -4.460 13.942 1.207 1.00 0.00 C ATOM 806 C ALA A 49 -3.338 13.499 2.137 1.00 0.00 C ATOM 807 O ALA A 49 -2.198 13.944 2.009 1.00 0.00 O ATOM 808 CB ALA A 49 -5.430 14.854 1.942 1.00 0.00 C ATOM 0 H ALA A 49 -6.138 12.712 0.952 1.00 0.00 H new ATOM 0 HA ALA A 49 -4.021 14.498 0.379 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -4.890 15.713 2.341 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.200 15.198 1.252 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -5.896 14.306 2.761 1.00 0.00 H new ATOM 814 N GLU A 50 -3.670 12.610 3.067 1.00 0.00 N ATOM 815 CA GLU A 50 -2.692 12.094 4.016 1.00 0.00 C ATOM 816 C GLU A 50 -1.602 11.318 3.287 1.00 0.00 C ATOM 817 O GLU A 50 -0.420 11.425 3.615 1.00 0.00 O ATOM 818 CB GLU A 50 -3.379 11.194 5.049 1.00 0.00 C ATOM 819 CG GLU A 50 -2.409 10.423 5.933 1.00 0.00 C ATOM 820 CD GLU A 50 -2.686 10.611 7.411 1.00 0.00 C ATOM 821 OE1 GLU A 50 -3.635 9.980 7.923 1.00 0.00 O ATOM 822 OE2 GLU A 50 -1.957 11.393 8.057 1.00 0.00 O ATOM 0 H GLU A 50 -4.610 12.232 3.183 1.00 0.00 H new ATOM 0 HA GLU A 50 -2.233 12.937 4.533 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.023 11.807 5.680 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.024 10.486 4.529 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -2.467 9.362 5.689 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -1.391 10.745 5.715 1.00 0.00 H new ATOM 829 N LEU A 51 -2.006 10.537 2.289 1.00 0.00 N ATOM 830 CA LEU A 51 -1.065 9.744 1.511 1.00 0.00 C ATOM 831 C LEU A 51 -0.014 10.637 0.864 1.00 0.00 C ATOM 832 O LEU A 51 1.185 10.395 0.993 1.00 0.00 O ATOM 833 CB LEU A 51 -1.804 8.943 0.438 1.00 0.00 C ATOM 834 CG LEU A 51 -0.909 8.120 -0.490 1.00 0.00 C ATOM 835 CD1 LEU A 51 0.157 7.384 0.306 1.00 0.00 C ATOM 836 CD2 LEU A 51 -1.743 7.137 -1.296 1.00 0.00 C ATOM 0 H LEU A 51 -2.980 10.438 2.002 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.563 9.051 2.187 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.508 8.271 0.929 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -2.392 9.633 -0.168 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.412 8.801 -1.180 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.783 6.805 -0.373 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.774 8.105 0.842 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.321 6.714 1.021 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.092 6.559 -1.951 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.267 6.463 -0.618 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.470 7.684 -1.897 1.00 0.00 H new ATOM 848 N LEU A 52 -0.473 11.677 0.171 1.00 0.00 N ATOM 849 CA LEU A 52 0.423 12.612 -0.489 1.00 0.00 C ATOM 850 C LEU A 52 1.475 13.138 0.475 1.00 0.00 C ATOM 851 O LEU A 52 2.665 13.167 0.164 1.00 0.00 O ATOM 852 CB LEU A 52 -0.383 13.743 -1.062 1.00 0.00 C ATOM 853 CG LEU A 52 -1.210 13.320 -2.257 1.00 0.00 C ATOM 854 CD1 LEU A 52 -2.073 14.458 -2.689 1.00 0.00 C ATOM 855 CD2 LEU A 52 -0.313 12.853 -3.390 1.00 0.00 C ATOM 0 H LEU A 52 -1.464 11.890 0.054 1.00 0.00 H new ATOM 0 HA LEU A 52 0.947 12.094 -1.292 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.042 14.142 -0.291 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.288 14.550 -1.356 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.848 12.482 -1.976 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.670 14.156 -3.550 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.734 14.744 -1.871 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.446 15.307 -2.962 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.926 12.553 -4.240 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.349 13.666 -3.689 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.283 12.004 -3.056 1.00 0.00 H new ATOM 867 N THR A 53 1.022 13.538 1.658 1.00 0.00 N ATOM 868 CA THR A 53 1.917 14.048 2.686 1.00 0.00 C ATOM 869 C THR A 53 2.847 12.941 3.167 1.00 0.00 C ATOM 870 O THR A 53 4.001 13.190 3.518 1.00 0.00 O ATOM 871 CB THR A 53 1.115 14.608 3.863 1.00 0.00 C ATOM 872 OG1 THR A 53 0.235 15.629 3.428 1.00 0.00 O ATOM 873 CG2 THR A 53 1.984 15.186 4.959 1.00 0.00 C ATOM 0 H THR A 53 0.038 13.518 1.928 1.00 0.00 H new ATOM 0 HA THR A 53 2.515 14.852 2.258 1.00 0.00 H new ATOM 0 HB THR A 53 0.565 13.759 4.269 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.538 15.226 2.981 1.00 0.00 H new ATOM 0 HG21 THR A 53 1.352 15.565 5.762 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.641 14.409 5.350 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.585 16.000 4.555 1.00 0.00 H new ATOM 881 N LYS A 54 2.337 11.712 3.170 1.00 0.00 N ATOM 882 CA LYS A 54 3.119 10.559 3.595 1.00 0.00 C ATOM 883 C LYS A 54 4.307 10.350 2.662 1.00 0.00 C ATOM 884 O LYS A 54 5.419 10.068 3.105 1.00 0.00 O ATOM 885 CB LYS A 54 2.244 9.300 3.622 1.00 0.00 C ATOM 886 CG LYS A 54 2.697 8.267 4.640 1.00 0.00 C ATOM 887 CD LYS A 54 2.453 8.743 6.062 1.00 0.00 C ATOM 888 CE LYS A 54 2.374 7.576 7.033 1.00 0.00 C ATOM 889 NZ LYS A 54 2.265 8.036 8.446 1.00 0.00 N ATOM 0 H LYS A 54 1.384 11.491 2.882 1.00 0.00 H new ATOM 0 HA LYS A 54 3.492 10.748 4.602 1.00 0.00 H new ATOM 0 HB2 LYS A 54 1.215 9.587 3.841 1.00 0.00 H new ATOM 0 HB3 LYS A 54 2.244 8.846 2.631 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.164 7.331 4.472 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.758 8.059 4.502 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.255 9.416 6.364 1.00 0.00 H new ATOM 0 HD3 LYS A 54 1.526 9.314 6.102 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.513 6.955 6.786 1.00 0.00 H new ATOM 0 HE3 LYS A 54 3.260 6.951 6.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.213 7.211 9.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.099 8.607 8.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 1.406 8.612 8.558 1.00 0.00 H new ATOM 903 N LEU A 55 4.059 10.501 1.364 1.00 0.00 N ATOM 904 CA LEU A 55 5.100 10.340 0.356 1.00 0.00 C ATOM 905 C LEU A 55 6.237 11.331 0.579 1.00 0.00 C ATOM 906 O LEU A 55 7.342 10.948 0.963 1.00 0.00 O ATOM 907 CB LEU A 55 4.511 10.529 -1.040 1.00 0.00 C ATOM 908 CG LEU A 55 3.398 9.546 -1.423 1.00 0.00 C ATOM 909 CD1 LEU A 55 3.510 9.179 -2.888 1.00 0.00 C ATOM 910 CD2 LEU A 55 3.451 8.292 -0.561 1.00 0.00 C ATOM 0 H LEU A 55 3.141 10.736 0.985 1.00 0.00 H new ATOM 0 HA LEU A 55 5.504 9.331 0.443 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.119 11.543 -1.116 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.316 10.443 -1.770 1.00 0.00 H new ATOM 0 HG LEU A 55 2.439 10.034 -1.249 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.715 8.481 -3.150 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.418 10.079 -3.497 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.478 8.713 -3.073 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.650 7.614 -0.856 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.413 7.798 -0.696 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.328 8.565 0.487 1.00 0.00 H new ATOM 922 N GLY A 56 5.956 12.607 0.336 1.00 0.00 N ATOM 923 CA GLY A 56 6.965 13.636 0.514 1.00 0.00 C ATOM 924 C GLY A 56 6.593 14.939 -0.166 1.00 0.00 C ATOM 925 O GLY A 56 6.902 16.019 0.336 1.00 0.00 O ATOM 0 H GLY A 56 5.048 12.947 0.019 1.00 0.00 H new ATOM 0 HA2 GLY A 56 7.112 13.815 1.579 1.00 0.00 H new ATOM 0 HA3 GLY A 56 7.916 13.281 0.116 1.00 0.00 H new ATOM 929 N ARG A 57 5.930 14.836 -1.314 1.00 0.00 N ATOM 930 CA ARG A 57 5.516 16.016 -2.070 1.00 0.00 C ATOM 931 C ARG A 57 4.002 16.200 -2.012 1.00 0.00 C ATOM 932 O ARG A 57 3.322 15.574 -1.200 1.00 0.00 O ATOM 933 CB ARG A 57 5.973 15.897 -3.525 1.00 0.00 C ATOM 934 CG ARG A 57 7.407 15.414 -3.675 1.00 0.00 C ATOM 935 CD ARG A 57 8.117 16.119 -4.819 1.00 0.00 C ATOM 936 NE ARG A 57 8.582 17.450 -4.439 1.00 0.00 N ATOM 937 CZ ARG A 57 9.551 17.672 -3.553 1.00 0.00 C ATOM 938 NH1 ARG A 57 10.160 16.655 -2.957 1.00 0.00 N ATOM 939 NH2 ARG A 57 9.914 18.914 -3.265 1.00 0.00 N ATOM 0 H ARG A 57 5.667 13.948 -1.742 1.00 0.00 H new ATOM 0 HA ARG A 57 5.985 16.890 -1.618 1.00 0.00 H new ATOM 0 HB2 ARG A 57 5.310 15.209 -4.050 1.00 0.00 H new ATOM 0 HB3 ARG A 57 5.873 16.868 -4.009 1.00 0.00 H new ATOM 0 HG2 ARG A 57 7.950 15.589 -2.746 1.00 0.00 H new ATOM 0 HG3 ARG A 57 7.413 14.338 -3.850 1.00 0.00 H new ATOM 0 HD2 ARG A 57 8.966 15.518 -5.144 1.00 0.00 H new ATOM 0 HD3 ARG A 57 7.440 16.201 -5.670 1.00 0.00 H new ATOM 0 HE ARG A 57 8.139 18.257 -4.878 1.00 0.00 H new ATOM 0 HH11 ARG A 57 9.887 15.697 -3.177 1.00 0.00 H new ATOM 0 HH12 ARG A 57 10.902 16.831 -2.279 1.00 0.00 H new ATOM 0 HH21 ARG A 57 9.451 19.700 -3.722 1.00 0.00 H new ATOM 0 HH22 ARG A 57 10.656 19.084 -2.586 1.00 0.00 H new ATOM 953 N ASP A 58 3.483 17.064 -2.879 1.00 0.00 N ATOM 954 CA ASP A 58 2.049 17.333 -2.928 1.00 0.00 C ATOM 955 C ASP A 58 1.429 16.752 -4.194 1.00 0.00 C ATOM 956 O ASP A 58 0.259 16.367 -4.205 1.00 0.00 O ATOM 957 CB ASP A 58 1.791 18.839 -2.865 1.00 0.00 C ATOM 958 CG ASP A 58 2.656 19.615 -3.839 1.00 0.00 C ATOM 959 OD1 ASP A 58 2.378 19.558 -5.055 1.00 0.00 O ATOM 960 OD2 ASP A 58 3.613 20.278 -3.385 1.00 0.00 O ATOM 0 H ASP A 58 4.034 17.590 -3.557 1.00 0.00 H new ATOM 0 HA ASP A 58 1.585 16.854 -2.066 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.741 19.034 -3.081 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.980 19.195 -1.852 1.00 0.00 H new ATOM 965 N THR A 59 2.218 16.693 -5.262 1.00 0.00 N ATOM 966 CA THR A 59 1.744 16.160 -6.533 1.00 0.00 C ATOM 967 C THR A 59 2.000 14.659 -6.620 1.00 0.00 C ATOM 968 O THR A 59 2.780 14.105 -5.845 1.00 0.00 O ATOM 969 CB THR A 59 2.428 16.875 -7.699 1.00 0.00 C ATOM 970 OG1 THR A 59 1.995 16.340 -8.938 1.00 0.00 O ATOM 971 CG2 THR A 59 3.938 16.777 -7.659 1.00 0.00 C ATOM 0 H THR A 59 3.188 17.008 -5.272 1.00 0.00 H new ATOM 0 HA THR A 59 0.669 16.332 -6.593 1.00 0.00 H new ATOM 0 HB THR A 59 2.146 17.923 -7.601 1.00 0.00 H new ATOM 0 HG1 THR A 59 2.442 16.811 -9.672 1.00 0.00 H new ATOM 0 HG21 THR A 59 4.360 17.305 -8.514 1.00 0.00 H new ATOM 0 HG22 THR A 59 4.307 17.226 -6.737 1.00 0.00 H new ATOM 0 HG23 THR A 59 4.236 15.729 -7.697 1.00 0.00 H new ATOM 979 N GLN A 60 1.338 14.005 -7.571 1.00 0.00 N ATOM 980 CA GLN A 60 1.492 12.566 -7.763 1.00 0.00 C ATOM 981 C GLN A 60 2.061 12.260 -9.143 1.00 0.00 C ATOM 982 O GLN A 60 1.339 12.258 -10.139 1.00 0.00 O ATOM 983 CB GLN A 60 0.149 11.858 -7.589 1.00 0.00 C ATOM 984 CG GLN A 60 -0.987 12.498 -8.372 1.00 0.00 C ATOM 985 CD GLN A 60 -2.073 13.060 -7.474 1.00 0.00 C ATOM 986 OE1 GLN A 60 -3.245 12.706 -7.601 1.00 0.00 O ATOM 987 NE2 GLN A 60 -1.687 13.940 -6.558 1.00 0.00 N ATOM 0 H GLN A 60 0.689 14.449 -8.221 1.00 0.00 H new ATOM 0 HA GLN A 60 2.189 12.199 -7.010 1.00 0.00 H new ATOM 0 HB2 GLN A 60 0.253 10.819 -7.901 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -0.112 11.848 -6.531 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -0.587 13.297 -8.996 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -1.423 11.758 -9.043 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -0.705 14.205 -6.488 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -2.373 14.351 -5.925 1.00 0.00 H new ATOM 996 N ILE A 61 3.360 11.994 -9.189 1.00 0.00 N ATOM 997 CA ILE A 61 4.037 11.683 -10.443 1.00 0.00 C ATOM 998 C ILE A 61 3.785 10.237 -10.859 1.00 0.00 C ATOM 999 O ILE A 61 4.595 9.350 -10.591 1.00 0.00 O ATOM 1000 CB ILE A 61 5.558 11.928 -10.336 1.00 0.00 C ATOM 1001 CG1 ILE A 61 6.244 11.637 -11.674 1.00 0.00 C ATOM 1002 CG2 ILE A 61 6.160 11.075 -9.227 1.00 0.00 C ATOM 1003 CD1 ILE A 61 5.756 12.514 -12.806 1.00 0.00 C ATOM 0 H ILE A 61 3.968 11.987 -8.370 1.00 0.00 H new ATOM 0 HA ILE A 61 3.626 12.349 -11.202 1.00 0.00 H new ATOM 0 HB ILE A 61 5.722 12.977 -10.088 1.00 0.00 H new ATOM 0 HG12 ILE A 61 7.320 11.771 -11.559 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.080 10.592 -11.938 1.00 0.00 H new ATOM 0 HG21 ILE A 61 7.232 11.261 -9.166 1.00 0.00 H new ATOM 0 HG22 ILE A 61 5.693 11.332 -8.276 1.00 0.00 H new ATOM 0 HG23 ILE A 61 5.986 10.021 -9.444 1.00 0.00 H new ATOM 0 HD11 ILE A 61 6.285 12.253 -13.723 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.686 12.362 -12.949 1.00 0.00 H new ATOM 0 HD13 ILE A 61 5.945 13.560 -12.564 1.00 0.00 H new ATOM 1015 N GLY A 62 2.656 10.007 -11.519 1.00 0.00 N ATOM 1016 CA GLY A 62 2.316 8.669 -11.963 1.00 0.00 C ATOM 1017 C GLY A 62 2.250 7.676 -10.820 1.00 0.00 C ATOM 1018 O GLY A 62 2.448 6.478 -11.018 1.00 0.00 O ATOM 0 H GLY A 62 1.970 10.724 -11.755 1.00 0.00 H new ATOM 0 HA2 GLY A 62 1.354 8.693 -12.475 1.00 0.00 H new ATOM 0 HA3 GLY A 62 3.055 8.332 -12.690 1.00 0.00 H new ATOM 1022 N LEU A 63 1.977 8.177 -9.618 1.00 0.00 N ATOM 1023 CA LEU A 63 1.884 7.324 -8.437 1.00 0.00 C ATOM 1024 C LEU A 63 0.887 6.192 -8.661 1.00 0.00 C ATOM 1025 O LEU A 63 -0.193 6.400 -9.214 1.00 0.00 O ATOM 1026 CB LEU A 63 1.479 8.151 -7.213 1.00 0.00 C ATOM 1027 CG LEU A 63 2.621 8.500 -6.255 1.00 0.00 C ATOM 1028 CD1 LEU A 63 3.018 7.283 -5.434 1.00 0.00 C ATOM 1029 CD2 LEU A 63 3.819 9.038 -7.024 1.00 0.00 C ATOM 0 H LEU A 63 1.817 9.168 -9.436 1.00 0.00 H new ATOM 0 HA LEU A 63 2.865 6.885 -8.257 1.00 0.00 H new ATOM 0 HB2 LEU A 63 1.018 9.077 -7.557 1.00 0.00 H new ATOM 0 HB3 LEU A 63 0.717 7.602 -6.660 1.00 0.00 H new ATOM 0 HG LEU A 63 2.273 9.277 -5.574 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.831 7.549 -4.759 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.161 6.940 -4.854 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.347 6.486 -6.101 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.620 9.280 -6.326 1.00 0.00 H new ATOM 0 HD22 LEU A 63 4.168 8.283 -7.729 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.528 9.936 -7.569 1.00 0.00 H new ATOM 1041 N THR A 64 1.260 4.990 -8.233 1.00 0.00 N ATOM 1042 CA THR A 64 0.400 3.825 -8.395 1.00 0.00 C ATOM 1043 C THR A 64 0.085 3.173 -7.052 1.00 0.00 C ATOM 1044 O THR A 64 0.675 3.513 -6.025 1.00 0.00 O ATOM 1045 CB THR A 64 1.060 2.806 -9.325 1.00 0.00 C ATOM 1046 OG1 THR A 64 2.362 2.482 -8.872 1.00 0.00 O ATOM 1047 CG2 THR A 64 1.176 3.288 -10.754 1.00 0.00 C ATOM 0 H THR A 64 2.150 4.798 -7.773 1.00 0.00 H new ATOM 0 HA THR A 64 -0.538 4.163 -8.836 1.00 0.00 H new ATOM 0 HB THR A 64 0.408 1.933 -9.306 1.00 0.00 H new ATOM 0 HG1 THR A 64 2.766 1.828 -9.479 1.00 0.00 H new ATOM 0 HG21 THR A 64 1.653 2.518 -11.360 1.00 0.00 H new ATOM 0 HG22 THR A 64 0.182 3.497 -11.149 1.00 0.00 H new ATOM 0 HG23 THR A 64 1.777 4.197 -10.784 1.00 0.00 H new ATOM 1055 N MET A 65 -0.849 2.229 -7.073 1.00 0.00 N ATOM 1056 CA MET A 65 -1.253 1.519 -5.869 1.00 0.00 C ATOM 1057 C MET A 65 -1.111 0.013 -6.058 1.00 0.00 C ATOM 1058 O MET A 65 -1.096 -0.479 -7.185 1.00 0.00 O ATOM 1059 CB MET A 65 -2.697 1.868 -5.508 1.00 0.00 C ATOM 1060 CG MET A 65 -2.838 3.198 -4.784 1.00 0.00 C ATOM 1061 SD MET A 65 -3.488 4.503 -5.847 1.00 0.00 S ATOM 1062 CE MET A 65 -2.157 5.699 -5.768 1.00 0.00 C ATOM 0 H MET A 65 -1.342 1.938 -7.917 1.00 0.00 H new ATOM 0 HA MET A 65 -0.599 1.829 -5.054 1.00 0.00 H new ATOM 0 HB2 MET A 65 -3.294 1.895 -6.419 1.00 0.00 H new ATOM 0 HB3 MET A 65 -3.107 1.077 -4.881 1.00 0.00 H new ATOM 0 HG2 MET A 65 -3.498 3.072 -3.926 1.00 0.00 H new ATOM 0 HG3 MET A 65 -1.865 3.501 -4.397 1.00 0.00 H new ATOM 0 HE1 MET A 65 -2.565 6.705 -5.868 1.00 0.00 H new ATOM 0 HE2 MET A 65 -1.644 5.610 -4.811 1.00 0.00 H new ATOM 0 HE3 MET A 65 -1.451 5.512 -6.577 1.00 0.00 H new ATOM 1072 N PRO A 66 -0.999 -0.744 -4.954 1.00 0.00 N ATOM 1073 CA PRO A 66 -1.011 -0.213 -3.591 1.00 0.00 C ATOM 1074 C PRO A 66 0.368 0.252 -3.128 1.00 0.00 C ATOM 1075 O PRO A 66 1.391 -0.298 -3.538 1.00 0.00 O ATOM 1076 CB PRO A 66 -1.469 -1.414 -2.747 1.00 0.00 C ATOM 1077 CG PRO A 66 -1.648 -2.548 -3.708 1.00 0.00 C ATOM 1078 CD PRO A 66 -0.862 -2.193 -4.934 1.00 0.00 C ATOM 0 HA PRO A 66 -1.652 0.665 -3.508 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -0.729 -1.661 -1.985 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -2.401 -1.193 -2.226 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -1.292 -3.483 -3.276 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -2.701 -2.689 -3.950 1.00 0.00 H new ATOM 0 HD2 PRO A 66 0.179 -2.506 -4.859 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -1.270 -2.657 -5.832 1.00 0.00 H new ATOM 1086 N GLN A 67 0.384 1.253 -2.255 1.00 0.00 N ATOM 1087 CA GLN A 67 1.633 1.780 -1.716 1.00 0.00 C ATOM 1088 C GLN A 67 1.768 1.406 -0.244 1.00 0.00 C ATOM 1089 O GLN A 67 0.858 1.635 0.549 1.00 0.00 O ATOM 1090 CB GLN A 67 1.689 3.298 -1.881 1.00 0.00 C ATOM 1091 CG GLN A 67 1.588 3.757 -3.327 1.00 0.00 C ATOM 1092 CD GLN A 67 2.827 3.421 -4.134 1.00 0.00 C ATOM 1093 OE1 GLN A 67 3.574 2.504 -3.794 1.00 0.00 O ATOM 1094 NE2 GLN A 67 3.048 4.161 -5.214 1.00 0.00 N ATOM 0 H GLN A 67 -0.454 1.716 -1.905 1.00 0.00 H new ATOM 0 HA GLN A 67 2.463 1.341 -2.270 1.00 0.00 H new ATOM 0 HB2 GLN A 67 0.878 3.748 -1.308 1.00 0.00 H new ATOM 0 HB3 GLN A 67 2.622 3.667 -1.456 1.00 0.00 H new ATOM 0 HG2 GLN A 67 0.719 3.292 -3.792 1.00 0.00 H new ATOM 0 HG3 GLN A 67 1.424 4.834 -3.352 1.00 0.00 H new ATOM 0 HE21 GLN A 67 2.402 4.912 -5.459 1.00 0.00 H new ATOM 0 HE22 GLN A 67 3.864 3.979 -5.799 1.00 0.00 H new ATOM 1103 N VAL A 68 2.900 0.814 0.117 1.00 0.00 N ATOM 1104 CA VAL A 68 3.127 0.400 1.496 1.00 0.00 C ATOM 1105 C VAL A 68 3.975 1.414 2.256 1.00 0.00 C ATOM 1106 O VAL A 68 4.601 2.288 1.660 1.00 0.00 O ATOM 1107 CB VAL A 68 3.808 -0.983 1.569 1.00 0.00 C ATOM 1108 CG1 VAL A 68 3.604 -1.611 2.938 1.00 0.00 C ATOM 1109 CG2 VAL A 68 3.284 -1.903 0.473 1.00 0.00 C ATOM 0 H VAL A 68 3.670 0.611 -0.521 1.00 0.00 H new ATOM 0 HA VAL A 68 2.144 0.338 1.963 1.00 0.00 H new ATOM 0 HB VAL A 68 4.878 -0.842 1.413 1.00 0.00 H new ATOM 0 HG11 VAL A 68 4.092 -2.585 2.968 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.036 -0.965 3.703 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.537 -1.734 3.127 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.778 -2.872 0.544 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.209 -2.035 0.592 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.490 -1.461 -0.502 1.00 0.00 H new ATOM 1119 N PHE A 69 3.993 1.287 3.582 1.00 0.00 N ATOM 1120 CA PHE A 69 4.763 2.191 4.427 1.00 0.00 C ATOM 1121 C PHE A 69 5.388 1.438 5.596 1.00 0.00 C ATOM 1122 O PHE A 69 4.792 0.510 6.144 1.00 0.00 O ATOM 1123 CB PHE A 69 3.872 3.316 4.941 1.00 0.00 C ATOM 1124 CG PHE A 69 3.485 4.282 3.868 1.00 0.00 C ATOM 1125 CD1 PHE A 69 4.299 5.356 3.568 1.00 0.00 C ATOM 1126 CD2 PHE A 69 2.315 4.106 3.150 1.00 0.00 C ATOM 1127 CE1 PHE A 69 3.952 6.246 2.569 1.00 0.00 C ATOM 1128 CE2 PHE A 69 1.961 4.989 2.151 1.00 0.00 C ATOM 1129 CZ PHE A 69 2.779 6.062 1.859 1.00 0.00 C ATOM 0 H PHE A 69 3.482 0.566 4.092 1.00 0.00 H new ATOM 0 HA PHE A 69 5.566 2.621 3.828 1.00 0.00 H new ATOM 0 HB2 PHE A 69 2.971 2.888 5.381 1.00 0.00 H new ATOM 0 HB3 PHE A 69 4.392 3.851 5.736 1.00 0.00 H new ATOM 0 HD1 PHE A 69 5.216 5.502 4.119 1.00 0.00 H new ATOM 0 HD2 PHE A 69 1.672 3.268 3.374 1.00 0.00 H new ATOM 0 HE1 PHE A 69 4.595 7.084 2.343 1.00 0.00 H new ATOM 0 HE2 PHE A 69 1.045 4.841 1.598 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.504 6.756 1.078 1.00 0.00 H new ATOM 1139 N ALA A 70 6.606 1.829 5.950 1.00 0.00 N ATOM 1140 CA ALA A 70 7.344 1.181 7.034 1.00 0.00 C ATOM 1141 C ALA A 70 6.528 1.106 8.327 1.00 0.00 C ATOM 1142 O ALA A 70 5.873 2.074 8.716 1.00 0.00 O ATOM 1143 CB ALA A 70 8.654 1.911 7.283 1.00 0.00 C ATOM 0 H ALA A 70 7.108 2.595 5.501 1.00 0.00 H new ATOM 0 HA ALA A 70 7.550 0.157 6.721 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.196 1.421 8.092 1.00 0.00 H new ATOM 0 HB2 ALA A 70 9.259 1.892 6.377 1.00 0.00 H new ATOM 0 HB3 ALA A 70 8.448 2.945 7.559 1.00 0.00 H new ATOM 1149 N PRO A 71 6.575 -0.053 9.019 1.00 0.00 N ATOM 1150 CA PRO A 71 5.858 -0.261 10.286 1.00 0.00 C ATOM 1151 C PRO A 71 5.999 0.925 11.230 1.00 0.00 C ATOM 1152 O PRO A 71 5.108 1.207 12.032 1.00 0.00 O ATOM 1153 CB PRO A 71 6.549 -1.496 10.865 1.00 0.00 C ATOM 1154 CG PRO A 71 6.982 -2.268 9.671 1.00 0.00 C ATOM 1155 CD PRO A 71 7.354 -1.245 8.630 1.00 0.00 C ATOM 0 HA PRO A 71 4.784 -0.378 10.143 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.398 -1.220 11.490 1.00 0.00 H new ATOM 0 HB3 PRO A 71 5.869 -2.076 11.489 1.00 0.00 H new ATOM 0 HG2 PRO A 71 7.830 -2.910 9.908 1.00 0.00 H new ATOM 0 HG3 PRO A 71 6.182 -2.916 9.313 1.00 0.00 H new ATOM 0 HD2 PRO A 71 8.425 -1.042 8.632 1.00 0.00 H new ATOM 0 HD3 PRO A 71 7.096 -1.582 7.626 1.00 0.00 H new ATOM 1163 N ASP A 72 7.124 1.618 11.124 1.00 0.00 N ATOM 1164 CA ASP A 72 7.394 2.779 11.959 1.00 0.00 C ATOM 1165 C ASP A 72 8.544 3.591 11.377 1.00 0.00 C ATOM 1166 O ASP A 72 9.365 4.142 12.109 1.00 0.00 O ATOM 1167 CB ASP A 72 7.721 2.344 13.387 1.00 0.00 C ATOM 1168 CG ASP A 72 6.715 2.866 14.395 1.00 0.00 C ATOM 1169 OD1 ASP A 72 6.841 4.039 14.806 1.00 0.00 O ATOM 1170 OD2 ASP A 72 5.802 2.102 14.774 1.00 0.00 O ATOM 0 H ASP A 72 7.868 1.394 10.464 1.00 0.00 H new ATOM 0 HA ASP A 72 6.502 3.405 11.983 1.00 0.00 H new ATOM 0 HB2 ASP A 72 7.748 1.255 13.435 1.00 0.00 H new ATOM 0 HB3 ASP A 72 8.716 2.700 13.653 1.00 0.00 H new ATOM 1175 N GLY A 73 8.600 3.650 10.049 1.00 0.00 N ATOM 1176 CA GLY A 73 9.658 4.393 9.382 1.00 0.00 C ATOM 1177 C GLY A 73 9.140 5.288 8.275 1.00 0.00 C ATOM 1178 O GLY A 73 8.495 6.303 8.539 1.00 0.00 O ATOM 0 H GLY A 73 7.934 3.198 9.423 1.00 0.00 H new ATOM 0 HA2 GLY A 73 10.187 5.000 10.116 1.00 0.00 H new ATOM 0 HA3 GLY A 73 10.382 3.692 8.967 1.00 0.00 H new ATOM 1182 N SER A 74 9.431 4.916 7.033 1.00 0.00 N ATOM 1183 CA SER A 74 8.998 5.696 5.877 1.00 0.00 C ATOM 1184 C SER A 74 8.445 4.794 4.779 1.00 0.00 C ATOM 1185 O SER A 74 8.462 3.569 4.896 1.00 0.00 O ATOM 1186 CB SER A 74 10.162 6.524 5.330 1.00 0.00 C ATOM 1187 OG SER A 74 11.098 5.703 4.652 1.00 0.00 O ATOM 0 H SER A 74 9.965 4.079 6.800 1.00 0.00 H new ATOM 0 HA SER A 74 8.202 6.365 6.205 1.00 0.00 H new ATOM 0 HB2 SER A 74 9.782 7.286 4.650 1.00 0.00 H new ATOM 0 HB3 SER A 74 10.657 7.046 6.149 1.00 0.00 H new ATOM 0 HG SER A 74 11.831 6.256 4.310 1.00 0.00 H new ATOM 1193 N HIS A 75 7.950 5.417 3.716 1.00 0.00 N ATOM 1194 CA HIS A 75 7.382 4.694 2.584 1.00 0.00 C ATOM 1195 C HIS A 75 8.349 3.636 2.061 1.00 0.00 C ATOM 1196 O HIS A 75 9.498 3.937 1.736 1.00 0.00 O ATOM 1197 CB HIS A 75 7.033 5.680 1.470 1.00 0.00 C ATOM 1198 CG HIS A 75 6.405 5.043 0.269 1.00 0.00 C ATOM 1199 ND1 HIS A 75 5.186 4.465 0.123 1.00 0.00 N flip ATOM 1200 CD2 HIS A 75 7.016 4.958 -0.962 1.00 0.00 C flip ATOM 1201 CE1 HIS A 75 5.042 4.026 -1.191 1.00 0.00 C flip ATOM 1202 NE2 HIS A 75 6.168 4.346 -1.801 1.00 0.00 N flip ATOM 0 H HIS A 75 7.931 6.432 3.614 1.00 0.00 H new ATOM 0 HA HIS A 75 6.478 4.185 2.920 1.00 0.00 H new ATOM 0 HB2 HIS A 75 6.353 6.434 1.866 1.00 0.00 H new ATOM 0 HB3 HIS A 75 7.940 6.199 1.161 1.00 0.00 H new ATOM 0 HD1 HIS A 75 4.486 4.367 0.859 1.00 0.00 H new ATOM 0 HD2 HIS A 75 8.003 5.320 -1.208 1.00 0.00 H new ATOM 0 HE1 HIS A 75 4.186 3.527 -1.622 1.00 0.00 H new ATOM 1210 N ILE A 76 7.875 2.397 1.980 1.00 0.00 N ATOM 1211 CA ILE A 76 8.697 1.295 1.492 1.00 0.00 C ATOM 1212 C ILE A 76 8.535 1.123 -0.012 1.00 0.00 C ATOM 1213 O ILE A 76 9.514 0.950 -0.738 1.00 0.00 O ATOM 1214 CB ILE A 76 8.333 -0.034 2.185 1.00 0.00 C ATOM 1215 CG1 ILE A 76 8.357 0.130 3.703 1.00 0.00 C ATOM 1216 CG2 ILE A 76 9.287 -1.138 1.751 1.00 0.00 C ATOM 1217 CD1 ILE A 76 7.496 -0.880 4.426 1.00 0.00 C ATOM 0 H ILE A 76 6.927 2.131 2.246 1.00 0.00 H new ATOM 0 HA ILE A 76 9.732 1.545 1.725 1.00 0.00 H new ATOM 0 HB ILE A 76 7.323 -0.314 1.886 1.00 0.00 H new ATOM 0 HG12 ILE A 76 9.385 0.040 4.055 1.00 0.00 H new ATOM 0 HG13 ILE A 76 8.019 1.134 3.959 1.00 0.00 H new ATOM 0 HG21 ILE A 76 9.017 -2.069 2.249 1.00 0.00 H new ATOM 0 HG22 ILE A 76 9.222 -1.272 0.671 1.00 0.00 H new ATOM 0 HG23 ILE A 76 10.307 -0.865 2.022 1.00 0.00 H new ATOM 0 HD11 ILE A 76 7.558 -0.708 5.501 1.00 0.00 H new ATOM 0 HD12 ILE A 76 6.461 -0.775 4.101 1.00 0.00 H new ATOM 0 HD13 ILE A 76 7.847 -1.887 4.199 1.00 0.00 H new ATOM 1229 N GLY A 77 7.289 1.162 -0.473 1.00 0.00 N ATOM 1230 CA GLY A 77 7.022 1.004 -1.890 1.00 0.00 C ATOM 1231 C GLY A 77 5.919 0.006 -2.170 1.00 0.00 C ATOM 1232 O GLY A 77 5.009 -0.173 -1.361 1.00 0.00 O ATOM 0 H GLY A 77 6.462 1.300 0.108 1.00 0.00 H new ATOM 0 HA2 GLY A 77 6.748 1.970 -2.314 1.00 0.00 H new ATOM 0 HA3 GLY A 77 7.934 0.682 -2.393 1.00 0.00 H new ATOM 1236 N GLY A 78 5.999 -0.633 -3.328 1.00 0.00 N ATOM 1237 CA GLY A 78 4.997 -1.611 -3.712 1.00 0.00 C ATOM 1238 C GLY A 78 5.381 -3.024 -3.319 1.00 0.00 C ATOM 1239 O GLY A 78 5.865 -3.258 -2.212 1.00 0.00 O ATOM 0 H GLY A 78 6.742 -0.492 -4.012 1.00 0.00 H new ATOM 0 HA2 GLY A 78 4.046 -1.354 -3.246 1.00 0.00 H new ATOM 0 HA3 GLY A 78 4.845 -1.566 -4.790 1.00 0.00 H new ATOM 1243 N PHE A 79 5.163 -3.970 -4.229 1.00 0.00 N ATOM 1244 CA PHE A 79 5.489 -5.369 -3.969 1.00 0.00 C ATOM 1245 C PHE A 79 6.989 -5.617 -4.097 1.00 0.00 C ATOM 1246 O PHE A 79 7.651 -5.984 -3.127 1.00 0.00 O ATOM 1247 CB PHE A 79 4.721 -6.282 -4.931 1.00 0.00 C ATOM 1248 CG PHE A 79 5.026 -7.743 -4.744 1.00 0.00 C ATOM 1249 CD1 PHE A 79 4.866 -8.346 -3.506 1.00 0.00 C ATOM 1250 CD2 PHE A 79 5.479 -8.510 -5.807 1.00 0.00 C ATOM 1251 CE1 PHE A 79 5.153 -9.688 -3.333 1.00 0.00 C ATOM 1252 CE2 PHE A 79 5.765 -9.852 -5.638 1.00 0.00 C ATOM 1253 CZ PHE A 79 5.603 -10.441 -4.399 1.00 0.00 C ATOM 0 H PHE A 79 4.763 -3.794 -5.151 1.00 0.00 H new ATOM 0 HA PHE A 79 5.192 -5.599 -2.946 1.00 0.00 H new ATOM 0 HB2 PHE A 79 3.651 -6.122 -4.795 1.00 0.00 H new ATOM 0 HB3 PHE A 79 4.958 -5.998 -5.956 1.00 0.00 H new ATOM 0 HD1 PHE A 79 4.514 -7.762 -2.668 1.00 0.00 H new ATOM 0 HD2 PHE A 79 5.610 -8.054 -6.777 1.00 0.00 H new ATOM 0 HE1 PHE A 79 5.025 -10.147 -2.364 1.00 0.00 H new ATOM 0 HE2 PHE A 79 6.115 -10.439 -6.474 1.00 0.00 H new ATOM 0 HZ PHE A 79 5.828 -11.489 -4.265 1.00 0.00 H new ATOM 1263 N ASP A 80 7.521 -5.414 -5.300 1.00 0.00 N ATOM 1264 CA ASP A 80 8.943 -5.619 -5.554 1.00 0.00 C ATOM 1265 C ASP A 80 9.791 -4.825 -4.565 1.00 0.00 C ATOM 1266 O ASP A 80 10.752 -5.344 -3.997 1.00 0.00 O ATOM 1267 CB ASP A 80 9.294 -5.207 -6.984 1.00 0.00 C ATOM 1268 CG ASP A 80 10.711 -5.589 -7.365 1.00 0.00 C ATOM 1269 OD1 ASP A 80 10.976 -6.798 -7.531 1.00 0.00 O ATOM 1270 OD2 ASP A 80 11.556 -4.678 -7.497 1.00 0.00 O ATOM 0 H ASP A 80 6.988 -5.108 -6.114 1.00 0.00 H new ATOM 0 HA ASP A 80 9.159 -6.680 -5.425 1.00 0.00 H new ATOM 0 HB2 ASP A 80 8.595 -5.677 -7.676 1.00 0.00 H new ATOM 0 HB3 ASP A 80 9.171 -4.129 -7.089 1.00 0.00 H new ATOM 1275 N GLN A 81 9.422 -3.565 -4.361 1.00 0.00 N ATOM 1276 CA GLN A 81 10.141 -2.697 -3.436 1.00 0.00 C ATOM 1277 C GLN A 81 10.164 -3.306 -2.040 1.00 0.00 C ATOM 1278 O GLN A 81 11.199 -3.330 -1.374 1.00 0.00 O ATOM 1279 CB GLN A 81 9.484 -1.318 -3.389 1.00 0.00 C ATOM 1280 CG GLN A 81 10.139 -0.300 -4.305 1.00 0.00 C ATOM 1281 CD GLN A 81 9.812 -0.532 -5.767 1.00 0.00 C ATOM 1282 OE1 GLN A 81 10.475 -1.318 -6.446 1.00 0.00 O ATOM 1283 NE2 GLN A 81 8.788 0.153 -6.260 1.00 0.00 N ATOM 0 H GLN A 81 8.629 -3.122 -4.824 1.00 0.00 H new ATOM 0 HA GLN A 81 11.167 -2.592 -3.789 1.00 0.00 H new ATOM 0 HB2 GLN A 81 8.433 -1.416 -3.662 1.00 0.00 H new ATOM 0 HB3 GLN A 81 9.514 -0.945 -2.365 1.00 0.00 H new ATOM 0 HG2 GLN A 81 9.816 0.701 -4.019 1.00 0.00 H new ATOM 0 HG3 GLN A 81 11.220 -0.337 -4.168 1.00 0.00 H new ATOM 0 HE21 GLN A 81 8.267 0.793 -5.661 1.00 0.00 H new ATOM 0 HE22 GLN A 81 8.522 0.039 -7.238 1.00 0.00 H new ATOM 1292 N LEU A 82 9.009 -3.796 -1.606 1.00 0.00 N ATOM 1293 CA LEU A 82 8.883 -4.409 -0.293 1.00 0.00 C ATOM 1294 C LEU A 82 9.813 -5.603 -0.138 1.00 0.00 C ATOM 1295 O LEU A 82 10.531 -5.709 0.855 1.00 0.00 O ATOM 1296 CB LEU A 82 7.454 -4.823 -0.034 1.00 0.00 C ATOM 1297 CG LEU A 82 7.182 -5.125 1.428 1.00 0.00 C ATOM 1298 CD1 LEU A 82 6.313 -4.051 2.056 1.00 0.00 C ATOM 1299 CD2 LEU A 82 6.559 -6.486 1.559 1.00 0.00 C ATOM 0 H LEU A 82 8.145 -3.780 -2.147 1.00 0.00 H new ATOM 0 HA LEU A 82 9.174 -3.661 0.445 1.00 0.00 H new ATOM 0 HB2 LEU A 82 6.785 -4.029 -0.366 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.223 -5.705 -0.631 1.00 0.00 H new ATOM 0 HG LEU A 82 8.128 -5.126 1.969 1.00 0.00 H new ATOM 0 HD11 LEU A 82 6.135 -4.294 3.104 1.00 0.00 H new ATOM 0 HD12 LEU A 82 6.819 -3.088 1.988 1.00 0.00 H new ATOM 0 HD13 LEU A 82 5.361 -3.999 1.528 1.00 0.00 H new ATOM 0 HD21 LEU A 82 6.366 -6.698 2.611 1.00 0.00 H new ATOM 0 HD22 LEU A 82 5.620 -6.511 1.005 1.00 0.00 H new ATOM 0 HD23 LEU A 82 7.238 -7.237 1.156 1.00 0.00 H new ATOM 1311 N ARG A 83 9.820 -6.492 -1.124 1.00 0.00 N ATOM 1312 CA ARG A 83 10.695 -7.661 -1.074 1.00 0.00 C ATOM 1313 C ARG A 83 12.126 -7.213 -0.806 1.00 0.00 C ATOM 1314 O ARG A 83 12.887 -7.898 -0.123 1.00 0.00 O ATOM 1315 CB ARG A 83 10.620 -8.446 -2.384 1.00 0.00 C ATOM 1316 CG ARG A 83 10.535 -9.950 -2.187 1.00 0.00 C ATOM 1317 CD ARG A 83 9.970 -10.642 -3.418 1.00 0.00 C ATOM 1318 NE ARG A 83 10.995 -10.875 -4.432 1.00 0.00 N ATOM 1319 CZ ARG A 83 10.767 -11.499 -5.585 1.00 0.00 C ATOM 1320 NH1 ARG A 83 9.553 -11.954 -5.873 1.00 0.00 N ATOM 1321 NH2 ARG A 83 11.754 -11.670 -6.453 1.00 0.00 N ATOM 0 H ARG A 83 9.238 -6.429 -1.959 1.00 0.00 H new ATOM 0 HA ARG A 83 10.366 -8.316 -0.267 1.00 0.00 H new ATOM 0 HB2 ARG A 83 9.750 -8.112 -2.949 1.00 0.00 H new ATOM 0 HB3 ARG A 83 11.499 -8.216 -2.987 1.00 0.00 H new ATOM 0 HG2 ARG A 83 11.527 -10.346 -1.969 1.00 0.00 H new ATOM 0 HG3 ARG A 83 9.907 -10.170 -1.324 1.00 0.00 H new ATOM 0 HD2 ARG A 83 9.525 -11.593 -3.127 1.00 0.00 H new ATOM 0 HD3 ARG A 83 9.172 -10.033 -3.842 1.00 0.00 H new ATOM 0 HE ARG A 83 11.940 -10.540 -4.246 1.00 0.00 H new ATOM 0 HH11 ARG A 83 8.790 -11.826 -5.209 1.00 0.00 H new ATOM 0 HH12 ARG A 83 9.384 -12.432 -6.758 1.00 0.00 H new ATOM 0 HH21 ARG A 83 12.689 -11.323 -6.237 1.00 0.00 H new ATOM 0 HH22 ARG A 83 11.579 -12.148 -7.337 1.00 0.00 H new ATOM 1335 N GLU A 84 12.471 -6.038 -1.326 1.00 0.00 N ATOM 1336 CA GLU A 84 13.796 -5.475 -1.116 1.00 0.00 C ATOM 1337 C GLU A 84 13.915 -4.998 0.322 1.00 0.00 C ATOM 1338 O GLU A 84 14.982 -5.071 0.931 1.00 0.00 O ATOM 1339 CB GLU A 84 14.049 -4.315 -2.081 1.00 0.00 C ATOM 1340 CG GLU A 84 15.524 -4.050 -2.338 1.00 0.00 C ATOM 1341 CD GLU A 84 15.958 -4.468 -3.730 1.00 0.00 C ATOM 1342 OE1 GLU A 84 15.934 -5.682 -4.020 1.00 0.00 O ATOM 1343 OE2 GLU A 84 16.320 -3.580 -4.530 1.00 0.00 O ATOM 0 H GLU A 84 11.851 -5.461 -1.894 1.00 0.00 H new ATOM 0 HA GLU A 84 14.545 -6.244 -1.308 1.00 0.00 H new ATOM 0 HB2 GLU A 84 13.556 -4.528 -3.029 1.00 0.00 H new ATOM 0 HB3 GLU A 84 13.590 -3.412 -1.679 1.00 0.00 H new ATOM 0 HG2 GLU A 84 15.728 -2.988 -2.202 1.00 0.00 H new ATOM 0 HG3 GLU A 84 16.120 -4.586 -1.599 1.00 0.00 H new ATOM 1350 N TYR A 85 12.793 -4.536 0.870 1.00 0.00 N ATOM 1351 CA TYR A 85 12.745 -4.077 2.245 1.00 0.00 C ATOM 1352 C TYR A 85 12.986 -5.253 3.179 1.00 0.00 C ATOM 1353 O TYR A 85 13.594 -5.113 4.240 1.00 0.00 O ATOM 1354 CB TYR A 85 11.378 -3.452 2.524 1.00 0.00 C ATOM 1355 CG TYR A 85 11.272 -2.756 3.859 1.00 0.00 C ATOM 1356 CD1 TYR A 85 11.633 -1.422 3.997 1.00 0.00 C ATOM 1357 CD2 TYR A 85 10.797 -3.429 4.978 1.00 0.00 C ATOM 1358 CE1 TYR A 85 11.524 -0.777 5.213 1.00 0.00 C ATOM 1359 CE2 TYR A 85 10.686 -2.790 6.199 1.00 0.00 C ATOM 1360 CZ TYR A 85 11.051 -1.464 6.310 1.00 0.00 C ATOM 1361 OH TYR A 85 10.940 -0.824 7.523 1.00 0.00 O ATOM 0 H TYR A 85 11.904 -4.472 0.375 1.00 0.00 H new ATOM 0 HA TYR A 85 13.519 -3.327 2.412 1.00 0.00 H new ATOM 0 HB2 TYR A 85 11.152 -2.735 1.735 1.00 0.00 H new ATOM 0 HB3 TYR A 85 10.618 -4.232 2.473 1.00 0.00 H new ATOM 0 HD1 TYR A 85 12.005 -0.881 3.140 1.00 0.00 H new ATOM 0 HD2 TYR A 85 10.510 -4.467 4.893 1.00 0.00 H new ATOM 0 HE1 TYR A 85 11.808 0.261 5.304 1.00 0.00 H new ATOM 0 HE2 TYR A 85 10.316 -3.326 7.061 1.00 0.00 H new ATOM 0 HH TYR A 85 10.590 -1.449 8.192 1.00 0.00 H new ATOM 1371 N PHE A 86 12.505 -6.419 2.755 1.00 0.00 N ATOM 1372 CA PHE A 86 12.648 -7.645 3.521 1.00 0.00 C ATOM 1373 C PHE A 86 13.933 -8.384 3.156 1.00 0.00 C ATOM 1374 O PHE A 86 14.486 -9.126 3.969 1.00 0.00 O ATOM 1375 CB PHE A 86 11.432 -8.537 3.270 1.00 0.00 C ATOM 1376 CG PHE A 86 10.252 -8.153 4.107 1.00 0.00 C ATOM 1377 CD1 PHE A 86 10.354 -8.115 5.487 1.00 0.00 C ATOM 1378 CD2 PHE A 86 9.049 -7.807 3.519 1.00 0.00 C ATOM 1379 CE1 PHE A 86 9.278 -7.743 6.264 1.00 0.00 C ATOM 1380 CE2 PHE A 86 7.968 -7.432 4.291 1.00 0.00 C ATOM 1381 CZ PHE A 86 8.082 -7.401 5.665 1.00 0.00 C ATOM 0 H PHE A 86 12.007 -6.536 1.873 1.00 0.00 H new ATOM 0 HA PHE A 86 12.707 -7.391 4.579 1.00 0.00 H new ATOM 0 HB2 PHE A 86 11.158 -8.483 2.216 1.00 0.00 H new ATOM 0 HB3 PHE A 86 11.698 -9.574 3.478 1.00 0.00 H new ATOM 0 HD1 PHE A 86 11.288 -8.380 5.960 1.00 0.00 H new ATOM 0 HD2 PHE A 86 8.954 -7.830 2.443 1.00 0.00 H new ATOM 0 HE1 PHE A 86 9.370 -7.719 7.340 1.00 0.00 H new ATOM 0 HE2 PHE A 86 7.034 -7.163 3.820 1.00 0.00 H new ATOM 0 HZ PHE A 86 7.237 -7.110 6.271 1.00 0.00 H new ATOM 1391 N LYS A 87 14.403 -8.179 1.928 1.00 0.00 N ATOM 1392 CA LYS A 87 15.621 -8.827 1.455 1.00 0.00 C ATOM 1393 C LYS A 87 15.470 -10.345 1.471 1.00 0.00 C ATOM 1394 O LYS A 87 16.461 -11.040 1.162 1.00 0.00 O ATOM 1395 CB LYS A 87 16.816 -8.411 2.316 1.00 0.00 C ATOM 1396 CG LYS A 87 17.626 -7.271 1.720 1.00 0.00 C ATOM 1397 CD LYS A 87 18.517 -7.753 0.586 1.00 0.00 C ATOM 1398 CE LYS A 87 19.871 -7.062 0.609 1.00 0.00 C ATOM 1399 NZ LYS A 87 20.963 -7.963 0.148 1.00 0.00 N ATOM 1400 OXT LYS A 87 14.363 -10.826 1.791 1.00 0.00 O ATOM 0 H LYS A 87 13.958 -7.569 1.243 1.00 0.00 H new ATOM 0 HA LYS A 87 15.796 -8.508 0.428 1.00 0.00 H new ATOM 0 HB2 LYS A 87 16.458 -8.115 3.302 1.00 0.00 H new ATOM 0 HB3 LYS A 87 17.468 -9.273 2.459 1.00 0.00 H new ATOM 0 HG2 LYS A 87 16.952 -6.498 1.351 1.00 0.00 H new ATOM 0 HG3 LYS A 87 18.239 -6.814 2.497 1.00 0.00 H new ATOM 0 HD2 LYS A 87 18.656 -8.831 0.664 1.00 0.00 H new ATOM 0 HD3 LYS A 87 18.027 -7.564 -0.369 1.00 0.00 H new ATOM 0 HE2 LYS A 87 19.838 -6.177 -0.027 1.00 0.00 H new ATOM 0 HE3 LYS A 87 20.086 -6.719 1.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 21.869 -7.454 0.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 21.012 -8.795 0.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 20.771 -8.270 -0.827 1.00 0.00 H new