USER MOD reduce.3.24.130724 H: found=0, std=0, add=675, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 676 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 18 LYS NZ :NH3+ 165:sc= 0.775 (180deg=-0.158) USER MOD Set 1.2: A 19 ASN : amide:sc= -0.632! C(o=0.14!,f=-13!) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 77:sc= -2.22! USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 SER OG : rot -72:sc= 1.31 USER MOD Single : A 25 MET CE :methyl 164:sc= -0.0865 (180deg=-0.466) USER MOD Single : A 27 MET CE :methyl 162:sc= -0.0917 (180deg=-0.573) USER MOD Single : A 28 THR OG1 : rot 83:sc= 0.534 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 152:sc= 2.28 (180deg=2.11) USER MOD Single : A 37 THR OG1 : rot -7:sc= -0.298 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -0.499 K(o=-0.5,f=-1.7) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.0303 K(o=-0.03,f=-5!) USER MOD Single : A 47 ASN : amide:sc= -0.118 K(o=-0.12,f=-1.6!) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0.0351 USER MOD Single : A 58 SER OG : rot 180:sc= -0.106 USER MOD Single : A 63 HIS : no HE2:sc= -0.849 X(o=-0.85,f=-0.65) USER MOD Single : A 65 TYR OH : rot 37:sc= 1.23 USER MOD Single : A 68 LYS NZ :NH3+ -167:sc= -0.042 (180deg=-0.243) USER MOD Single : A 74 ASN : amide:sc= -0.261 X(o=-0.26,f=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 9:sc= 1.15 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= 0.662 K(o=0.66,f=-2.5) USER MOD Single : A 91 HIS : no HD1:sc= -0.165 X(o=-0.16,f=-0.57) USER MOD Single : A 92 HIS : no HE2:sc= 1.37 K(o=1.4,f=-4.1!) USER MOD ----------------------------------------------------------------- ATOM 111 N ASP A 8 -15.602 2.097 -12.596 1.00 0.00 N ATOM 112 CA ASP A 8 -14.978 1.326 -11.516 1.00 0.00 C ATOM 113 C ASP A 8 -13.455 1.353 -11.625 1.00 0.00 C ATOM 114 O ASP A 8 -12.836 0.356 -12.009 1.00 0.00 O ATOM 115 CB ASP A 8 -15.459 -0.132 -11.526 1.00 0.00 C ATOM 116 CG ASP A 8 -16.964 -0.267 -11.417 1.00 0.00 C ATOM 117 OD1 ASP A 8 -17.487 -0.292 -10.281 1.00 0.00 O ATOM 118 OD2 ASP A 8 -17.635 -0.367 -12.467 1.00 0.00 O ATOM 0 HA ASP A 8 -15.276 1.794 -10.578 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -15.124 -0.612 -12.446 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -14.992 -0.667 -10.699 1.00 0.00 H new ATOM 123 N PRO A 9 -12.831 2.497 -11.322 1.00 0.00 N ATOM 124 CA PRO A 9 -11.381 2.642 -11.425 1.00 0.00 C ATOM 125 C PRO A 9 -10.635 1.874 -10.336 1.00 0.00 C ATOM 126 O PRO A 9 -10.892 2.048 -9.142 1.00 0.00 O ATOM 127 CB PRO A 9 -11.163 4.148 -11.270 1.00 0.00 C ATOM 128 CG PRO A 9 -12.334 4.629 -10.486 1.00 0.00 C ATOM 129 CD PRO A 9 -13.486 3.736 -10.862 1.00 0.00 C ATOM 0 HA PRO A 9 -10.998 2.237 -12.362 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -10.228 4.360 -10.752 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -11.109 4.641 -12.241 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -12.134 4.577 -9.416 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -12.557 5.670 -10.718 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -14.143 3.550 -10.012 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -14.098 4.181 -11.647 1.00 0.00 H new ATOM 137 N THR A 10 -9.728 1.008 -10.756 1.00 0.00 N ATOM 138 CA THR A 10 -8.856 0.314 -9.828 1.00 0.00 C ATOM 139 C THR A 10 -7.487 0.983 -9.834 1.00 0.00 C ATOM 140 O THR A 10 -6.701 0.810 -10.766 1.00 0.00 O ATOM 141 CB THR A 10 -8.714 -1.180 -10.186 1.00 0.00 C ATOM 142 OG1 THR A 10 -10.014 -1.772 -10.327 1.00 0.00 O ATOM 143 CG2 THR A 10 -7.933 -1.927 -9.113 1.00 0.00 C ATOM 0 H THR A 10 -9.577 0.770 -11.736 1.00 0.00 H new ATOM 0 HA THR A 10 -9.298 0.372 -8.833 1.00 0.00 H new ATOM 0 HB THR A 10 -8.170 -1.253 -11.127 1.00 0.00 H new ATOM 0 HG1 THR A 10 -9.919 -2.720 -10.556 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.848 -2.978 -9.390 1.00 0.00 H new ATOM 0 HG22 THR A 10 -6.937 -1.494 -9.020 1.00 0.00 H new ATOM 0 HG23 THR A 10 -8.455 -1.845 -8.160 1.00 0.00 H new ATOM 151 N LEU A 11 -7.213 1.758 -8.799 1.00 0.00 N ATOM 152 CA LEU A 11 -6.001 2.555 -8.751 1.00 0.00 C ATOM 153 C LEU A 11 -4.830 1.722 -8.266 1.00 0.00 C ATOM 154 O LEU A 11 -4.867 1.137 -7.184 1.00 0.00 O ATOM 155 CB LEU A 11 -6.194 3.777 -7.851 1.00 0.00 C ATOM 156 CG LEU A 11 -7.220 4.787 -8.359 1.00 0.00 C ATOM 157 CD1 LEU A 11 -7.405 5.914 -7.356 1.00 0.00 C ATOM 158 CD2 LEU A 11 -6.793 5.339 -9.709 1.00 0.00 C ATOM 0 H LEU A 11 -7.814 1.852 -7.980 1.00 0.00 H new ATOM 0 HA LEU A 11 -5.783 2.901 -9.761 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.498 3.438 -6.861 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.235 4.281 -7.735 1.00 0.00 H new ATOM 0 HG LEU A 11 -8.176 4.277 -8.479 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -8.140 6.623 -7.737 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.754 5.504 -6.408 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -6.454 6.424 -7.203 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -7.534 6.058 -10.059 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -5.826 5.833 -9.611 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.712 4.523 -10.427 1.00 0.00 H new ATOM 170 N THR A 12 -3.804 1.663 -9.091 1.00 0.00 N ATOM 171 CA THR A 12 -2.608 0.912 -8.774 1.00 0.00 C ATOM 172 C THR A 12 -1.524 1.848 -8.248 1.00 0.00 C ATOM 173 O THR A 12 -0.936 2.624 -9.001 1.00 0.00 O ATOM 174 CB THR A 12 -2.101 0.155 -10.014 1.00 0.00 C ATOM 175 OG1 THR A 12 -3.190 -0.570 -10.608 1.00 0.00 O ATOM 176 CG2 THR A 12 -0.983 -0.812 -9.651 1.00 0.00 C ATOM 0 H THR A 12 -3.776 2.132 -9.996 1.00 0.00 H new ATOM 0 HA THR A 12 -2.851 0.184 -8.000 1.00 0.00 H new ATOM 0 HB THR A 12 -1.705 0.883 -10.722 1.00 0.00 H new ATOM 0 HG1 THR A 12 -2.870 -1.052 -11.399 1.00 0.00 H new ATOM 0 HG21 THR A 12 -0.646 -1.332 -10.548 1.00 0.00 H new ATOM 0 HG22 THR A 12 -0.150 -0.259 -9.217 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.351 -1.539 -8.927 1.00 0.00 H new ATOM 184 N LEU A 13 -1.289 1.780 -6.949 1.00 0.00 N ATOM 185 CA LEU A 13 -0.326 2.645 -6.295 1.00 0.00 C ATOM 186 C LEU A 13 0.902 1.838 -5.903 1.00 0.00 C ATOM 187 O LEU A 13 1.004 0.656 -6.226 1.00 0.00 O ATOM 188 CB LEU A 13 -0.953 3.283 -5.051 1.00 0.00 C ATOM 189 CG LEU A 13 -2.252 4.053 -5.295 1.00 0.00 C ATOM 190 CD1 LEU A 13 -2.826 4.553 -3.978 1.00 0.00 C ATOM 191 CD2 LEU A 13 -2.013 5.216 -6.243 1.00 0.00 C ATOM 0 H LEU A 13 -1.758 1.127 -6.322 1.00 0.00 H new ATOM 0 HA LEU A 13 -0.030 3.436 -6.984 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.147 2.499 -4.319 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.226 3.962 -4.605 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.973 3.376 -5.755 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.750 5.099 -4.168 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.033 3.704 -3.326 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.106 5.214 -3.495 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.948 5.752 -6.405 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.277 5.893 -5.810 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.642 4.838 -7.196 1.00 0.00 H new ATOM 203 N SER A 14 1.824 2.465 -5.200 1.00 0.00 N ATOM 204 CA SER A 14 3.026 1.788 -4.759 1.00 0.00 C ATOM 205 C SER A 14 3.045 1.701 -3.236 1.00 0.00 C ATOM 206 O SER A 14 2.540 2.595 -2.550 1.00 0.00 O ATOM 207 CB SER A 14 4.261 2.534 -5.276 1.00 0.00 C ATOM 208 OG SER A 14 5.454 1.815 -5.015 1.00 0.00 O ATOM 0 H SER A 14 1.763 3.444 -4.922 1.00 0.00 H new ATOM 0 HA SER A 14 3.039 0.775 -5.161 1.00 0.00 H new ATOM 0 HB2 SER A 14 4.163 2.700 -6.349 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.317 3.516 -4.805 1.00 0.00 H new ATOM 0 HG SER A 14 6.221 2.318 -5.359 1.00 0.00 H new ATOM 214 N LEU A 15 3.589 0.608 -2.718 1.00 0.00 N ATOM 215 CA LEU A 15 3.748 0.443 -1.283 1.00 0.00 C ATOM 216 C LEU A 15 5.077 1.057 -0.855 1.00 0.00 C ATOM 217 O LEU A 15 6.111 0.796 -1.468 1.00 0.00 O ATOM 218 CB LEU A 15 3.693 -1.046 -0.910 1.00 0.00 C ATOM 219 CG LEU A 15 3.719 -1.354 0.590 1.00 0.00 C ATOM 220 CD1 LEU A 15 2.509 -0.751 1.285 1.00 0.00 C ATOM 221 CD2 LEU A 15 3.764 -2.856 0.823 1.00 0.00 C ATOM 0 H LEU A 15 3.928 -0.178 -3.273 1.00 0.00 H new ATOM 0 HA LEU A 15 2.935 0.950 -0.764 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.786 -1.475 -1.335 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.536 -1.552 -1.381 1.00 0.00 H new ATOM 0 HG LEU A 15 4.618 -0.906 1.014 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.548 -0.982 2.349 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.512 0.330 1.148 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.598 -1.168 0.856 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.782 -3.058 1.894 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.882 -3.319 0.381 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.661 -3.269 0.361 1.00 0.00 H new ATOM 233 N ILE A 16 5.047 1.892 0.170 1.00 0.00 N ATOM 234 CA ILE A 16 6.242 2.597 0.604 1.00 0.00 C ATOM 235 C ILE A 16 6.493 2.418 2.097 1.00 0.00 C ATOM 236 O ILE A 16 5.557 2.336 2.898 1.00 0.00 O ATOM 237 CB ILE A 16 6.159 4.108 0.284 1.00 0.00 C ATOM 238 CG1 ILE A 16 4.900 4.725 0.909 1.00 0.00 C ATOM 239 CG2 ILE A 16 6.182 4.339 -1.221 1.00 0.00 C ATOM 240 CD1 ILE A 16 4.768 6.213 0.668 1.00 0.00 C ATOM 0 H ILE A 16 4.211 2.098 0.716 1.00 0.00 H new ATOM 0 HA ILE A 16 7.073 2.159 0.050 1.00 0.00 H new ATOM 0 HB ILE A 16 7.030 4.599 0.718 1.00 0.00 H new ATOM 0 HG12 ILE A 16 4.021 4.221 0.507 1.00 0.00 H new ATOM 0 HG13 ILE A 16 4.910 4.539 1.983 1.00 0.00 H new ATOM 0 HG21 ILE A 16 6.123 5.408 -1.426 1.00 0.00 H new ATOM 0 HG22 ILE A 16 7.108 3.941 -1.636 1.00 0.00 H new ATOM 0 HG23 ILE A 16 5.332 3.834 -1.680 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.855 6.578 1.139 1.00 0.00 H new ATOM 0 HD12 ILE A 16 5.628 6.729 1.095 1.00 0.00 H new ATOM 0 HD13 ILE A 16 4.725 6.406 -0.404 1.00 0.00 H new ATOM 252 N ALA A 17 7.765 2.346 2.457 1.00 0.00 N ATOM 253 CA ALA A 17 8.173 2.305 3.851 1.00 0.00 C ATOM 254 C ALA A 17 8.180 3.719 4.413 1.00 0.00 C ATOM 255 O ALA A 17 9.089 4.503 4.134 1.00 0.00 O ATOM 256 CB ALA A 17 9.545 1.665 3.978 1.00 0.00 C ATOM 0 H ALA A 17 8.540 2.315 1.794 1.00 0.00 H new ATOM 0 HA ALA A 17 7.467 1.701 4.421 1.00 0.00 H new ATOM 0 HB1 ALA A 17 9.839 1.640 5.027 1.00 0.00 H new ATOM 0 HB2 ALA A 17 9.510 0.648 3.587 1.00 0.00 H new ATOM 0 HB3 ALA A 17 10.272 2.247 3.411 1.00 0.00 H new ATOM 262 N LYS A 18 7.157 4.054 5.184 1.00 0.00 N ATOM 263 CA LYS A 18 6.989 5.422 5.653 1.00 0.00 C ATOM 264 C LYS A 18 7.663 5.619 7.000 1.00 0.00 C ATOM 265 O LYS A 18 8.704 6.270 7.098 1.00 0.00 O ATOM 266 CB LYS A 18 5.504 5.779 5.735 1.00 0.00 C ATOM 267 CG LYS A 18 5.243 7.193 6.224 1.00 0.00 C ATOM 268 CD LYS A 18 3.767 7.537 6.175 1.00 0.00 C ATOM 269 CE LYS A 18 3.490 8.882 6.822 1.00 0.00 C ATOM 270 NZ LYS A 18 3.696 8.843 8.295 1.00 0.00 N ATOM 0 H LYS A 18 6.436 3.404 5.497 1.00 0.00 H new ATOM 0 HA LYS A 18 7.466 6.090 4.936 1.00 0.00 H new ATOM 0 HB2 LYS A 18 5.055 5.656 4.750 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.006 5.075 6.402 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.608 7.298 7.246 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.802 7.900 5.611 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.430 7.554 5.139 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.194 6.762 6.684 1.00 0.00 H new ATOM 0 HE2 LYS A 18 4.143 9.637 6.384 1.00 0.00 H new ATOM 0 HE3 LYS A 18 2.465 9.184 6.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 3.748 9.814 8.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.901 8.344 8.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 4.583 8.344 8.508 1.00 0.00 H new ATOM 284 N ASN A 19 7.079 5.042 8.030 1.00 0.00 N ATOM 285 CA ASN A 19 7.623 5.161 9.370 1.00 0.00 C ATOM 286 C ASN A 19 8.516 3.975 9.670 1.00 0.00 C ATOM 287 O ASN A 19 8.190 3.112 10.482 1.00 0.00 O ATOM 288 CB ASN A 19 6.510 5.284 10.415 1.00 0.00 C ATOM 289 CG ASN A 19 5.855 6.656 10.405 1.00 0.00 C ATOM 290 OD1 ASN A 19 5.785 7.325 9.370 1.00 0.00 O ATOM 291 ND2 ASN A 19 5.375 7.093 11.558 1.00 0.00 N ATOM 0 H ASN A 19 6.227 4.485 7.966 1.00 0.00 H new ATOM 0 HA ASN A 19 8.218 6.073 9.420 1.00 0.00 H new ATOM 0 HB2 ASN A 19 5.754 4.522 10.228 1.00 0.00 H new ATOM 0 HB3 ASN A 19 6.922 5.088 11.405 1.00 0.00 H new ATOM 0 HD21 ASN A 19 4.930 8.009 11.611 1.00 0.00 H new ATOM 0 HD22 ASN A 19 5.450 6.514 12.394 1.00 0.00 H new ATOM 298 N THR A 20 9.621 3.920 8.956 1.00 0.00 N ATOM 299 CA THR A 20 10.601 2.867 9.123 1.00 0.00 C ATOM 300 C THR A 20 11.832 3.400 9.856 1.00 0.00 C ATOM 301 O THR A 20 12.508 4.306 9.367 1.00 0.00 O ATOM 302 CB THR A 20 11.000 2.295 7.748 1.00 0.00 C ATOM 303 OG1 THR A 20 9.829 1.803 7.082 1.00 0.00 O ATOM 304 CG2 THR A 20 12.022 1.175 7.882 1.00 0.00 C ATOM 0 H THR A 20 9.865 4.606 8.242 1.00 0.00 H new ATOM 0 HA THR A 20 10.162 2.068 9.721 1.00 0.00 H new ATOM 0 HB THR A 20 11.456 3.095 7.165 1.00 0.00 H new ATOM 0 HG1 THR A 20 9.317 2.557 6.721 1.00 0.00 H new ATOM 0 HG21 THR A 20 12.279 0.797 6.893 1.00 0.00 H new ATOM 0 HG22 THR A 20 12.919 1.557 8.369 1.00 0.00 H new ATOM 0 HG23 THR A 20 11.601 0.368 8.481 1.00 0.00 H new ATOM 312 N PRO A 21 12.113 2.865 11.058 1.00 0.00 N ATOM 313 CA PRO A 21 13.247 3.299 11.886 1.00 0.00 C ATOM 314 C PRO A 21 14.597 2.935 11.270 1.00 0.00 C ATOM 315 O PRO A 21 14.696 2.007 10.467 1.00 0.00 O ATOM 316 CB PRO A 21 13.049 2.541 13.209 1.00 0.00 C ATOM 317 CG PRO A 21 11.656 2.015 13.163 1.00 0.00 C ATOM 318 CD PRO A 21 11.346 1.799 11.712 1.00 0.00 C ATOM 0 HA PRO A 21 13.265 4.383 11.998 1.00 0.00 H new ATOM 0 HB2 PRO A 21 13.771 1.731 13.309 1.00 0.00 H new ATOM 0 HB3 PRO A 21 13.191 3.201 14.064 1.00 0.00 H new ATOM 0 HG2 PRO A 21 11.571 1.084 13.723 1.00 0.00 H new ATOM 0 HG3 PRO A 21 10.957 2.721 13.611 1.00 0.00 H new ATOM 0 HD2 PRO A 21 11.657 0.810 11.374 1.00 0.00 H new ATOM 0 HD3 PRO A 21 10.279 1.884 11.509 1.00 0.00 H new ATOM 326 N ALA A 22 15.631 3.670 11.653 1.00 0.00 N ATOM 327 CA ALA A 22 16.977 3.422 11.152 1.00 0.00 C ATOM 328 C ALA A 22 17.496 2.064 11.604 1.00 0.00 C ATOM 329 O ALA A 22 17.088 1.550 12.647 1.00 0.00 O ATOM 330 CB ALA A 22 17.925 4.518 11.610 1.00 0.00 C ATOM 0 H ALA A 22 15.564 4.446 12.312 1.00 0.00 H new ATOM 0 HA ALA A 22 16.929 3.423 10.063 1.00 0.00 H new ATOM 0 HB1 ALA A 22 18.926 4.317 11.227 1.00 0.00 H new ATOM 0 HB2 ALA A 22 17.578 5.480 11.233 1.00 0.00 H new ATOM 0 HB3 ALA A 22 17.952 4.544 12.699 1.00 0.00 H new ATOM 336 N ASN A 23 18.380 1.492 10.791 1.00 0.00 N ATOM 337 CA ASN A 23 19.046 0.222 11.093 1.00 0.00 C ATOM 338 C ASN A 23 18.097 -0.965 10.945 1.00 0.00 C ATOM 339 O ASN A 23 18.437 -2.094 11.305 1.00 0.00 O ATOM 340 CB ASN A 23 19.689 0.233 12.486 1.00 0.00 C ATOM 341 CG ASN A 23 20.912 1.130 12.556 1.00 0.00 C ATOM 342 OD1 ASN A 23 22.022 0.707 12.236 1.00 0.00 O ATOM 343 ND2 ASN A 23 20.727 2.364 13.000 1.00 0.00 N ATOM 0 H ASN A 23 18.658 1.897 9.897 1.00 0.00 H new ATOM 0 HA ASN A 23 19.843 0.105 10.359 1.00 0.00 H new ATOM 0 HB2 ASN A 23 18.955 0.568 13.219 1.00 0.00 H new ATOM 0 HB3 ASN A 23 19.972 -0.783 12.760 1.00 0.00 H new ATOM 0 HD21 ASN A 23 21.520 2.999 13.086 1.00 0.00 H new ATOM 0 HD22 ASN A 23 19.791 2.679 13.256 1.00 0.00 H new ATOM 350 N SER A 24 16.916 -0.717 10.398 1.00 0.00 N ATOM 351 CA SER A 24 16.018 -1.797 10.040 1.00 0.00 C ATOM 352 C SER A 24 16.068 -1.992 8.530 1.00 0.00 C ATOM 353 O SER A 24 16.105 -1.022 7.768 1.00 0.00 O ATOM 354 CB SER A 24 14.586 -1.521 10.513 1.00 0.00 C ATOM 355 OG SER A 24 14.011 -0.422 9.836 1.00 0.00 O ATOM 0 H SER A 24 16.562 0.218 10.195 1.00 0.00 H new ATOM 0 HA SER A 24 16.341 -2.711 10.539 1.00 0.00 H new ATOM 0 HB2 SER A 24 13.973 -2.408 10.352 1.00 0.00 H new ATOM 0 HB3 SER A 24 14.589 -1.326 11.585 1.00 0.00 H new ATOM 0 HG SER A 24 14.423 0.409 10.152 1.00 0.00 H new ATOM 361 N MET A 25 16.104 -3.235 8.099 1.00 0.00 N ATOM 362 CA MET A 25 16.281 -3.538 6.692 1.00 0.00 C ATOM 363 C MET A 25 15.210 -4.504 6.220 1.00 0.00 C ATOM 364 O MET A 25 15.092 -5.614 6.735 1.00 0.00 O ATOM 365 CB MET A 25 17.676 -4.120 6.459 1.00 0.00 C ATOM 366 CG MET A 25 18.020 -4.332 4.995 1.00 0.00 C ATOM 367 SD MET A 25 19.739 -4.825 4.760 1.00 0.00 S ATOM 368 CE MET A 25 19.774 -6.364 5.675 1.00 0.00 C ATOM 0 H MET A 25 16.013 -4.053 8.701 1.00 0.00 H new ATOM 0 HA MET A 25 16.185 -2.618 6.115 1.00 0.00 H new ATOM 0 HB2 MET A 25 18.415 -3.453 6.903 1.00 0.00 H new ATOM 0 HB3 MET A 25 17.753 -5.074 6.981 1.00 0.00 H new ATOM 0 HG2 MET A 25 17.365 -5.096 4.577 1.00 0.00 H new ATOM 0 HG3 MET A 25 17.829 -3.412 4.442 1.00 0.00 H new ATOM 0 HE1 MET A 25 20.663 -6.931 5.399 1.00 0.00 H new ATOM 0 HE2 MET A 25 19.796 -6.151 6.744 1.00 0.00 H new ATOM 0 HE3 MET A 25 18.884 -6.948 5.440 1.00 0.00 H new ATOM 378 N ILE A 26 14.420 -4.064 5.258 1.00 0.00 N ATOM 379 CA ILE A 26 13.327 -4.868 4.737 1.00 0.00 C ATOM 380 C ILE A 26 13.830 -5.808 3.645 1.00 0.00 C ATOM 381 O ILE A 26 14.454 -5.374 2.673 1.00 0.00 O ATOM 382 CB ILE A 26 12.197 -3.982 4.170 1.00 0.00 C ATOM 383 CG1 ILE A 26 11.866 -2.848 5.147 1.00 0.00 C ATOM 384 CG2 ILE A 26 10.957 -4.820 3.896 1.00 0.00 C ATOM 385 CD1 ILE A 26 10.809 -1.891 4.637 1.00 0.00 C ATOM 0 H ILE A 26 14.515 -3.148 4.818 1.00 0.00 H new ATOM 0 HA ILE A 26 12.927 -5.453 5.565 1.00 0.00 H new ATOM 0 HB ILE A 26 12.537 -3.544 3.232 1.00 0.00 H new ATOM 0 HG12 ILE A 26 11.528 -3.280 6.089 1.00 0.00 H new ATOM 0 HG13 ILE A 26 12.776 -2.288 5.361 1.00 0.00 H new ATOM 0 HG21 ILE A 26 10.168 -4.183 3.497 1.00 0.00 H new ATOM 0 HG22 ILE A 26 11.197 -5.598 3.171 1.00 0.00 H new ATOM 0 HG23 ILE A 26 10.617 -5.280 4.824 1.00 0.00 H new ATOM 0 HD11 ILE A 26 10.629 -1.117 5.383 1.00 0.00 H new ATOM 0 HD12 ILE A 26 11.152 -1.430 3.711 1.00 0.00 H new ATOM 0 HD13 ILE A 26 9.884 -2.437 4.450 1.00 0.00 H new ATOM 397 N MET A 27 13.577 -7.097 3.823 1.00 0.00 N ATOM 398 CA MET A 27 13.969 -8.102 2.841 1.00 0.00 C ATOM 399 C MET A 27 12.904 -8.230 1.758 1.00 0.00 C ATOM 400 O MET A 27 13.205 -8.523 0.600 1.00 0.00 O ATOM 401 CB MET A 27 14.184 -9.455 3.523 1.00 0.00 C ATOM 402 CG MET A 27 15.271 -9.445 4.586 1.00 0.00 C ATOM 403 SD MET A 27 15.419 -11.025 5.442 1.00 0.00 S ATOM 404 CE MET A 27 15.851 -12.109 4.082 1.00 0.00 C ATOM 0 H MET A 27 13.100 -7.474 4.642 1.00 0.00 H new ATOM 0 HA MET A 27 14.904 -7.786 2.379 1.00 0.00 H new ATOM 0 HB2 MET A 27 13.247 -9.774 3.979 1.00 0.00 H new ATOM 0 HB3 MET A 27 14.438 -10.196 2.765 1.00 0.00 H new ATOM 0 HG2 MET A 27 16.225 -9.197 4.122 1.00 0.00 H new ATOM 0 HG3 MET A 27 15.056 -8.661 5.312 1.00 0.00 H new ATOM 0 HE1 MET A 27 16.283 -13.030 4.474 1.00 0.00 H new ATOM 0 HE2 MET A 27 14.956 -12.344 3.506 1.00 0.00 H new ATOM 0 HE3 MET A 27 16.577 -11.613 3.438 1.00 0.00 H new ATOM 414 N THR A 28 11.658 -8.010 2.149 1.00 0.00 N ATOM 415 CA THR A 28 10.539 -8.053 1.226 1.00 0.00 C ATOM 416 C THR A 28 10.463 -6.770 0.408 1.00 0.00 C ATOM 417 O THR A 28 10.299 -5.683 0.960 1.00 0.00 O ATOM 418 CB THR A 28 9.218 -8.244 1.990 1.00 0.00 C ATOM 419 OG1 THR A 28 9.291 -7.563 3.252 1.00 0.00 O ATOM 420 CG2 THR A 28 8.918 -9.716 2.213 1.00 0.00 C ATOM 0 H THR A 28 11.397 -7.798 3.112 1.00 0.00 H new ATOM 0 HA THR A 28 10.694 -8.897 0.554 1.00 0.00 H new ATOM 0 HB THR A 28 8.411 -7.824 1.390 1.00 0.00 H new ATOM 0 HG1 THR A 28 9.079 -6.615 3.125 1.00 0.00 H new ATOM 0 HG21 THR A 28 7.978 -9.818 2.755 1.00 0.00 H new ATOM 0 HG22 THR A 28 8.838 -10.221 1.250 1.00 0.00 H new ATOM 0 HG23 THR A 28 9.723 -10.167 2.794 1.00 0.00 H new ATOM 428 N LYS A 29 10.596 -6.898 -0.903 1.00 0.00 N ATOM 429 CA LYS A 29 10.510 -5.745 -1.784 1.00 0.00 C ATOM 430 C LYS A 29 9.081 -5.226 -1.822 1.00 0.00 C ATOM 431 O LYS A 29 8.128 -6.006 -1.820 1.00 0.00 O ATOM 432 CB LYS A 29 10.974 -6.111 -3.192 1.00 0.00 C ATOM 433 CG LYS A 29 12.411 -6.600 -3.250 1.00 0.00 C ATOM 434 CD LYS A 29 12.800 -6.999 -4.661 1.00 0.00 C ATOM 435 CE LYS A 29 14.234 -7.491 -4.728 1.00 0.00 C ATOM 436 NZ LYS A 29 14.621 -7.875 -6.110 1.00 0.00 N ATOM 0 H LYS A 29 10.763 -7.785 -1.378 1.00 0.00 H new ATOM 0 HA LYS A 29 11.163 -4.962 -1.398 1.00 0.00 H new ATOM 0 HB2 LYS A 29 10.319 -6.885 -3.592 1.00 0.00 H new ATOM 0 HB3 LYS A 29 10.869 -5.240 -3.838 1.00 0.00 H new ATOM 0 HG2 LYS A 29 13.079 -5.816 -2.894 1.00 0.00 H new ATOM 0 HG3 LYS A 29 12.535 -7.452 -2.581 1.00 0.00 H new ATOM 0 HD2 LYS A 29 12.129 -7.781 -5.016 1.00 0.00 H new ATOM 0 HD3 LYS A 29 12.676 -6.146 -5.328 1.00 0.00 H new ATOM 0 HE2 LYS A 29 14.903 -6.710 -4.367 1.00 0.00 H new ATOM 0 HE3 LYS A 29 14.356 -8.348 -4.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 15.607 -8.206 -6.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 13.998 -8.637 -6.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 14.529 -7.051 -6.738 1.00 0.00 H new ATOM 450 N LEU A 30 8.940 -3.912 -1.847 1.00 0.00 N ATOM 451 CA LEU A 30 7.628 -3.284 -1.840 1.00 0.00 C ATOM 452 C LEU A 30 6.965 -3.420 -3.209 1.00 0.00 C ATOM 453 O LEU A 30 7.497 -2.948 -4.215 1.00 0.00 O ATOM 454 CB LEU A 30 7.734 -1.804 -1.448 1.00 0.00 C ATOM 455 CG LEU A 30 8.190 -1.516 -0.006 1.00 0.00 C ATOM 456 CD1 LEU A 30 7.404 -2.353 0.990 1.00 0.00 C ATOM 457 CD2 LEU A 30 9.686 -1.747 0.159 1.00 0.00 C ATOM 0 H LEU A 30 9.721 -3.256 -1.872 1.00 0.00 H new ATOM 0 HA LEU A 30 7.012 -3.793 -1.099 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.430 -1.317 -2.131 1.00 0.00 H new ATOM 0 HB3 LEU A 30 6.760 -1.338 -1.599 1.00 0.00 H new ATOM 0 HG LEU A 30 7.990 -0.464 0.199 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.745 -2.131 2.001 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.343 -2.118 0.905 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.559 -3.411 0.779 1.00 0.00 H new ATOM 0 HD21 LEU A 30 9.976 -1.535 1.188 1.00 0.00 H new ATOM 0 HD22 LEU A 30 9.922 -2.784 -0.078 1.00 0.00 H new ATOM 0 HD23 LEU A 30 10.233 -1.087 -0.515 1.00 0.00 H new ATOM 469 N PRO A 31 5.813 -4.100 -3.268 1.00 0.00 N ATOM 470 CA PRO A 31 5.075 -4.301 -4.509 1.00 0.00 C ATOM 471 C PRO A 31 4.064 -3.188 -4.782 1.00 0.00 C ATOM 472 O PRO A 31 3.894 -2.270 -3.974 1.00 0.00 O ATOM 473 CB PRO A 31 4.356 -5.619 -4.244 1.00 0.00 C ATOM 474 CG PRO A 31 4.078 -5.612 -2.774 1.00 0.00 C ATOM 475 CD PRO A 31 5.142 -4.751 -2.128 1.00 0.00 C ATOM 0 HA PRO A 31 5.724 -4.303 -5.385 1.00 0.00 H new ATOM 0 HB2 PRO A 31 3.434 -5.690 -4.821 1.00 0.00 H new ATOM 0 HB3 PRO A 31 4.975 -6.471 -4.526 1.00 0.00 H new ATOM 0 HG2 PRO A 31 3.084 -5.214 -2.571 1.00 0.00 H new ATOM 0 HG3 PRO A 31 4.104 -6.625 -2.371 1.00 0.00 H new ATOM 0 HD2 PRO A 31 4.705 -4.018 -1.450 1.00 0.00 H new ATOM 0 HD3 PRO A 31 5.840 -5.350 -1.543 1.00 0.00 H new ATOM 483 N SER A 32 3.401 -3.273 -5.925 1.00 0.00 N ATOM 484 CA SER A 32 2.357 -2.328 -6.274 1.00 0.00 C ATOM 485 C SER A 32 1.038 -2.740 -5.628 1.00 0.00 C ATOM 486 O SER A 32 0.665 -3.915 -5.648 1.00 0.00 O ATOM 487 CB SER A 32 2.204 -2.255 -7.792 1.00 0.00 C ATOM 488 OG SER A 32 3.445 -1.970 -8.413 1.00 0.00 O ATOM 0 H SER A 32 3.570 -3.992 -6.629 1.00 0.00 H new ATOM 0 HA SER A 32 2.634 -1.342 -5.902 1.00 0.00 H new ATOM 0 HB2 SER A 32 1.814 -3.201 -8.168 1.00 0.00 H new ATOM 0 HB3 SER A 32 1.478 -1.485 -8.052 1.00 0.00 H new ATOM 0 HG SER A 32 3.323 -1.930 -9.385 1.00 0.00 H new ATOM 494 N VAL A 33 0.343 -1.775 -5.055 1.00 0.00 N ATOM 495 CA VAL A 33 -0.924 -2.028 -4.387 1.00 0.00 C ATOM 496 C VAL A 33 -2.071 -1.554 -5.273 1.00 0.00 C ATOM 497 O VAL A 33 -1.891 -0.660 -6.096 1.00 0.00 O ATOM 498 CB VAL A 33 -0.982 -1.307 -3.018 1.00 0.00 C ATOM 499 CG1 VAL A 33 -1.033 0.202 -3.201 1.00 0.00 C ATOM 500 CG2 VAL A 33 -2.158 -1.794 -2.182 1.00 0.00 C ATOM 0 H VAL A 33 0.637 -0.798 -5.038 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.016 -3.100 -4.211 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.069 -1.553 -2.476 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.073 0.686 -2.225 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.142 0.534 -3.734 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.920 0.469 -3.775 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.169 -1.267 -1.228 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -3.089 -1.599 -2.715 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.059 -2.865 -2.004 1.00 0.00 H new ATOM 510 N ARG A 34 -3.239 -2.154 -5.129 1.00 0.00 N ATOM 511 CA ARG A 34 -4.389 -1.738 -5.913 1.00 0.00 C ATOM 512 C ARG A 34 -5.584 -1.474 -5.019 1.00 0.00 C ATOM 513 O ARG A 34 -5.881 -2.253 -4.111 1.00 0.00 O ATOM 514 CB ARG A 34 -4.749 -2.788 -6.965 1.00 0.00 C ATOM 515 CG ARG A 34 -3.667 -2.999 -8.007 1.00 0.00 C ATOM 516 CD ARG A 34 -4.117 -3.970 -9.083 1.00 0.00 C ATOM 517 NE ARG A 34 -4.448 -5.287 -8.538 1.00 0.00 N ATOM 518 CZ ARG A 34 -4.798 -6.332 -9.285 1.00 0.00 C ATOM 519 NH1 ARG A 34 -4.849 -6.218 -10.607 1.00 0.00 N ATOM 520 NH2 ARG A 34 -5.089 -7.495 -8.714 1.00 0.00 N ATOM 0 H ARG A 34 -3.416 -2.923 -4.483 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.120 -0.814 -6.424 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -4.951 -3.736 -6.466 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -5.670 -2.488 -7.465 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -3.407 -2.043 -8.463 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -2.765 -3.379 -7.526 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.988 -3.562 -9.596 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -3.328 -4.075 -9.828 1.00 0.00 H new ATOM 0 HE ARG A 34 -4.408 -5.412 -7.526 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -4.620 -5.329 -11.051 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -5.117 -7.019 -11.178 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -5.045 -7.590 -7.699 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -5.357 -8.293 -9.290 1.00 0.00 H new ATOM 534 N VAL A 35 -6.251 -0.363 -5.265 1.00 0.00 N ATOM 535 CA VAL A 35 -7.467 -0.030 -4.551 1.00 0.00 C ATOM 536 C VAL A 35 -8.606 0.212 -5.530 1.00 0.00 C ATOM 537 O VAL A 35 -8.465 0.968 -6.491 1.00 0.00 O ATOM 538 CB VAL A 35 -7.287 1.203 -3.631 1.00 0.00 C ATOM 539 CG1 VAL A 35 -6.377 0.862 -2.461 1.00 0.00 C ATOM 540 CG2 VAL A 35 -6.727 2.392 -4.399 1.00 0.00 C ATOM 0 H VAL A 35 -5.968 0.328 -5.959 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.710 -0.881 -3.915 1.00 0.00 H new ATOM 0 HB VAL A 35 -8.270 1.480 -3.250 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.260 1.738 -1.824 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.816 0.049 -1.883 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.401 0.554 -2.837 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -6.613 3.240 -3.724 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.756 2.129 -4.819 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.410 2.659 -5.205 1.00 0.00 H new ATOM 550 N LYS A 36 -9.729 -0.447 -5.299 1.00 0.00 N ATOM 551 CA LYS A 36 -10.881 -0.290 -6.160 1.00 0.00 C ATOM 552 C LYS A 36 -11.668 0.908 -5.667 1.00 0.00 C ATOM 553 O LYS A 36 -11.968 1.002 -4.479 1.00 0.00 O ATOM 554 CB LYS A 36 -11.726 -1.570 -6.147 1.00 0.00 C ATOM 555 CG LYS A 36 -12.700 -1.690 -7.309 1.00 0.00 C ATOM 556 CD LYS A 36 -14.042 -1.043 -7.009 1.00 0.00 C ATOM 557 CE LYS A 36 -14.986 -1.184 -8.190 1.00 0.00 C ATOM 558 NZ LYS A 36 -16.366 -0.749 -7.864 1.00 0.00 N ATOM 0 H LYS A 36 -9.864 -1.094 -4.522 1.00 0.00 H new ATOM 0 HA LYS A 36 -10.577 -0.120 -7.193 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -11.059 -2.432 -6.157 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -12.286 -1.612 -5.213 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -12.265 -1.225 -8.194 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -12.852 -2.743 -7.545 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -14.485 -1.506 -6.127 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -13.898 0.012 -6.777 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -14.609 -0.594 -9.025 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -15.003 -2.224 -8.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -16.836 -0.410 -8.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -16.899 -1.551 -7.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -16.332 0.020 -7.164 1.00 0.00 H new ATOM 572 N THR A 37 -11.959 1.838 -6.558 1.00 0.00 N ATOM 573 CA THR A 37 -12.550 3.101 -6.152 1.00 0.00 C ATOM 574 C THR A 37 -13.802 3.432 -6.956 1.00 0.00 C ATOM 575 O THR A 37 -14.095 2.786 -7.963 1.00 0.00 O ATOM 576 CB THR A 37 -11.525 4.246 -6.286 1.00 0.00 C ATOM 577 OG1 THR A 37 -10.942 4.250 -7.596 1.00 0.00 O ATOM 578 CG2 THR A 37 -10.425 4.117 -5.242 1.00 0.00 C ATOM 0 H THR A 37 -11.797 1.745 -7.561 1.00 0.00 H new ATOM 0 HA THR A 37 -12.842 2.996 -5.107 1.00 0.00 H new ATOM 0 HB THR A 37 -12.055 5.185 -6.126 1.00 0.00 H new ATOM 0 HG1 THR A 37 -11.239 3.457 -8.089 1.00 0.00 H new ATOM 0 HG21 THR A 37 -9.715 4.936 -5.358 1.00 0.00 H new ATOM 0 HG22 THR A 37 -10.863 4.155 -4.245 1.00 0.00 H new ATOM 0 HG23 THR A 37 -9.907 3.167 -5.374 1.00 0.00 H new ATOM 586 N GLU A 38 -14.539 4.436 -6.491 1.00 0.00 N ATOM 587 CA GLU A 38 -15.755 4.885 -7.156 1.00 0.00 C ATOM 588 C GLU A 38 -15.574 6.299 -7.695 1.00 0.00 C ATOM 589 O GLU A 38 -15.176 7.204 -6.954 1.00 0.00 O ATOM 590 CB GLU A 38 -16.940 4.877 -6.185 1.00 0.00 C ATOM 591 CG GLU A 38 -17.225 3.524 -5.560 1.00 0.00 C ATOM 592 CD GLU A 38 -17.550 2.461 -6.585 1.00 0.00 C ATOM 593 OE1 GLU A 38 -18.642 2.521 -7.188 1.00 0.00 O ATOM 594 OE2 GLU A 38 -16.731 1.548 -6.776 1.00 0.00 O ATOM 0 H GLU A 38 -14.310 4.959 -5.646 1.00 0.00 H new ATOM 0 HA GLU A 38 -15.956 4.199 -7.979 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -16.749 5.598 -5.390 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -17.831 5.215 -6.714 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -16.359 3.208 -4.978 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -18.059 3.619 -4.865 1.00 0.00 H new ATOM 601 N GLY A 39 -15.860 6.483 -8.977 1.00 0.00 N ATOM 602 CA GLY A 39 -15.808 7.806 -9.563 1.00 0.00 C ATOM 603 C GLY A 39 -14.849 7.887 -10.730 1.00 0.00 C ATOM 604 O GLY A 39 -14.469 6.869 -11.306 1.00 0.00 O ATOM 0 H GLY A 39 -16.127 5.739 -9.621 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -16.806 8.091 -9.897 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -15.509 8.526 -8.801 1.00 0.00 H new ATOM 608 N TYR A 40 -14.462 9.103 -11.079 1.00 0.00 N ATOM 609 CA TYR A 40 -13.531 9.336 -12.171 1.00 0.00 C ATOM 610 C TYR A 40 -12.388 10.225 -11.708 1.00 0.00 C ATOM 611 O TYR A 40 -12.613 11.294 -11.138 1.00 0.00 O ATOM 612 CB TYR A 40 -14.242 9.985 -13.362 1.00 0.00 C ATOM 613 CG TYR A 40 -15.068 9.021 -14.181 1.00 0.00 C ATOM 614 CD1 TYR A 40 -16.370 8.698 -13.819 1.00 0.00 C ATOM 615 CD2 TYR A 40 -14.542 8.435 -15.323 1.00 0.00 C ATOM 616 CE1 TYR A 40 -17.121 7.816 -14.571 1.00 0.00 C ATOM 617 CE2 TYR A 40 -15.285 7.554 -16.080 1.00 0.00 C ATOM 618 CZ TYR A 40 -16.574 7.247 -15.702 1.00 0.00 C ATOM 619 OH TYR A 40 -17.315 6.368 -16.456 1.00 0.00 O ATOM 0 H TYR A 40 -14.783 9.953 -10.616 1.00 0.00 H new ATOM 0 HA TYR A 40 -13.130 8.373 -12.487 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -14.889 10.782 -12.996 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -13.497 10.450 -14.008 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -16.802 9.144 -12.935 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -13.533 8.673 -15.625 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -18.131 7.573 -14.275 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -14.858 7.106 -16.966 1.00 0.00 H new ATOM 0 HH TYR A 40 -16.781 6.060 -17.218 1.00 0.00 H new ATOM 629 N ASN A 41 -11.164 9.781 -11.954 1.00 0.00 N ATOM 630 CA ASN A 41 -9.984 10.538 -11.558 1.00 0.00 C ATOM 631 C ASN A 41 -9.094 10.849 -12.763 1.00 0.00 C ATOM 632 O ASN A 41 -8.080 10.198 -12.990 1.00 0.00 O ATOM 633 CB ASN A 41 -9.193 9.791 -10.469 1.00 0.00 C ATOM 634 CG ASN A 41 -8.965 8.318 -10.777 1.00 0.00 C ATOM 635 OD1 ASN A 41 -7.979 7.943 -11.405 1.00 0.00 O ATOM 636 ND2 ASN A 41 -9.878 7.469 -10.324 1.00 0.00 N ATOM 0 H ASN A 41 -10.961 8.900 -12.426 1.00 0.00 H new ATOM 0 HA ASN A 41 -10.322 11.487 -11.141 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -8.227 10.278 -10.336 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -9.727 9.876 -9.522 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -9.773 6.469 -10.494 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -10.685 7.816 -9.806 1.00 0.00 H new ATOM 643 N PRO A 42 -9.487 11.843 -13.573 1.00 0.00 N ATOM 644 CA PRO A 42 -8.714 12.261 -14.740 1.00 0.00 C ATOM 645 C PRO A 42 -7.510 13.111 -14.347 1.00 0.00 C ATOM 646 O PRO A 42 -6.394 12.876 -14.811 1.00 0.00 O ATOM 647 CB PRO A 42 -9.709 13.092 -15.566 1.00 0.00 C ATOM 648 CG PRO A 42 -11.028 12.962 -14.872 1.00 0.00 C ATOM 649 CD PRO A 42 -10.715 12.627 -13.444 1.00 0.00 C ATOM 0 HA PRO A 42 -8.308 11.409 -15.285 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -9.397 14.135 -15.619 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -9.769 12.724 -16.590 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -11.597 13.889 -14.939 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -11.635 12.182 -15.331 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -10.565 13.521 -12.839 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -11.516 12.055 -12.975 1.00 0.00 H new ATOM 657 N SER A 43 -7.747 14.086 -13.479 1.00 0.00 N ATOM 658 CA SER A 43 -6.698 14.980 -13.017 1.00 0.00 C ATOM 659 C SER A 43 -6.699 15.050 -11.492 1.00 0.00 C ATOM 660 O SER A 43 -7.263 15.972 -10.899 1.00 0.00 O ATOM 661 CB SER A 43 -6.892 16.380 -13.606 1.00 0.00 C ATOM 662 OG SER A 43 -7.022 16.330 -15.020 1.00 0.00 O ATOM 0 H SER A 43 -8.666 14.277 -13.079 1.00 0.00 H new ATOM 0 HA SER A 43 -5.737 14.589 -13.352 1.00 0.00 H new ATOM 0 HB2 SER A 43 -7.780 16.840 -13.173 1.00 0.00 H new ATOM 0 HB3 SER A 43 -6.044 17.011 -13.338 1.00 0.00 H new ATOM 0 HG SER A 43 -7.146 17.237 -15.369 1.00 0.00 H new ATOM 668 N ILE A 44 -6.106 14.047 -10.864 1.00 0.00 N ATOM 669 CA ILE A 44 -6.007 13.992 -9.408 1.00 0.00 C ATOM 670 C ILE A 44 -4.584 13.592 -9.016 1.00 0.00 C ATOM 671 O ILE A 44 -3.861 13.010 -9.826 1.00 0.00 O ATOM 672 CB ILE A 44 -7.048 13.000 -8.805 1.00 0.00 C ATOM 673 CG1 ILE A 44 -8.473 13.477 -9.113 1.00 0.00 C ATOM 674 CG2 ILE A 44 -6.867 12.839 -7.298 1.00 0.00 C ATOM 675 CD1 ILE A 44 -9.559 12.630 -8.485 1.00 0.00 C ATOM 0 H ILE A 44 -5.682 13.252 -11.342 1.00 0.00 H new ATOM 0 HA ILE A 44 -6.231 14.979 -9.002 1.00 0.00 H new ATOM 0 HB ILE A 44 -6.883 12.027 -9.267 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -8.583 14.505 -8.767 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -8.615 13.488 -10.194 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -7.611 12.140 -6.915 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -5.868 12.456 -7.090 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -6.993 13.806 -6.811 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -10.536 13.034 -8.751 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -9.479 11.606 -8.850 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -9.446 12.639 -7.401 1.00 0.00 H new ATOM 687 N ASN A 45 -4.176 13.927 -7.794 1.00 0.00 N ATOM 688 CA ASN A 45 -2.832 13.620 -7.307 1.00 0.00 C ATOM 689 C ASN A 45 -2.677 12.129 -6.988 1.00 0.00 C ATOM 690 O ASN A 45 -2.275 11.745 -5.888 1.00 0.00 O ATOM 691 CB ASN A 45 -2.490 14.476 -6.074 1.00 0.00 C ATOM 692 CG ASN A 45 -3.439 14.274 -4.897 1.00 0.00 C ATOM 693 OD1 ASN A 45 -4.633 14.030 -5.072 1.00 0.00 O ATOM 694 ND2 ASN A 45 -2.909 14.377 -3.687 1.00 0.00 N ATOM 0 H ASN A 45 -4.762 14.415 -7.117 1.00 0.00 H new ATOM 0 HA ASN A 45 -2.129 13.864 -8.104 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -1.475 14.243 -5.753 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -2.501 15.528 -6.360 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -3.495 14.253 -2.861 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -1.915 14.580 -3.581 1.00 0.00 H new ATOM 701 N VAL A 46 -2.962 11.293 -7.980 1.00 0.00 N ATOM 702 CA VAL A 46 -2.876 9.846 -7.831 1.00 0.00 C ATOM 703 C VAL A 46 -1.426 9.408 -7.620 1.00 0.00 C ATOM 704 O VAL A 46 -1.156 8.384 -6.998 1.00 0.00 O ATOM 705 CB VAL A 46 -3.462 9.126 -9.068 1.00 0.00 C ATOM 706 CG1 VAL A 46 -3.480 7.619 -8.869 1.00 0.00 C ATOM 707 CG2 VAL A 46 -4.863 9.637 -9.369 1.00 0.00 C ATOM 0 H VAL A 46 -3.258 11.598 -8.907 1.00 0.00 H new ATOM 0 HA VAL A 46 -3.461 9.569 -6.954 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.818 9.347 -9.920 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -3.897 7.140 -9.755 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.463 7.261 -8.708 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.093 7.374 -8.001 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.259 9.119 -10.242 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.510 9.451 -8.512 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.825 10.708 -9.569 1.00 0.00 H new ATOM 717 N ASN A 47 -0.492 10.206 -8.120 1.00 0.00 N ATOM 718 CA ASN A 47 0.927 9.905 -7.963 1.00 0.00 C ATOM 719 C ASN A 47 1.476 10.527 -6.688 1.00 0.00 C ATOM 720 O ASN A 47 2.676 10.467 -6.415 1.00 0.00 O ATOM 721 CB ASN A 47 1.723 10.375 -9.181 1.00 0.00 C ATOM 722 CG ASN A 47 1.646 9.386 -10.329 1.00 0.00 C ATOM 723 OD1 ASN A 47 1.538 8.179 -10.111 1.00 0.00 O ATOM 724 ND2 ASN A 47 1.687 9.886 -11.553 1.00 0.00 N ATOM 0 H ASN A 47 -0.689 11.064 -8.636 1.00 0.00 H new ATOM 0 HA ASN A 47 1.034 8.823 -7.886 1.00 0.00 H new ATOM 0 HB2 ASN A 47 1.344 11.342 -9.510 1.00 0.00 H new ATOM 0 HB3 ASN A 47 2.765 10.521 -8.898 1.00 0.00 H new ATOM 0 HD21 ASN A 47 1.628 9.265 -12.360 1.00 0.00 H new ATOM 0 HD22 ASN A 47 1.777 10.893 -11.690 1.00 0.00 H new ATOM 731 N GLU A 48 0.589 11.123 -5.907 1.00 0.00 N ATOM 732 CA GLU A 48 0.957 11.659 -4.609 1.00 0.00 C ATOM 733 C GLU A 48 0.386 10.762 -3.515 1.00 0.00 C ATOM 734 O GLU A 48 0.894 10.711 -2.394 1.00 0.00 O ATOM 735 CB GLU A 48 0.433 13.088 -4.454 1.00 0.00 C ATOM 736 CG GLU A 48 1.085 13.853 -3.317 1.00 0.00 C ATOM 737 CD GLU A 48 2.587 13.933 -3.475 1.00 0.00 C ATOM 738 OE1 GLU A 48 3.057 14.661 -4.371 1.00 0.00 O ATOM 739 OE2 GLU A 48 3.305 13.249 -2.722 1.00 0.00 O ATOM 0 H GLU A 48 -0.393 11.247 -6.152 1.00 0.00 H new ATOM 0 HA GLU A 48 2.043 11.685 -4.524 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.596 13.629 -5.386 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.644 13.056 -4.289 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.671 14.860 -3.274 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.845 13.369 -2.370 1.00 0.00 H new ATOM 746 N LEU A 49 -0.674 10.049 -3.867 1.00 0.00 N ATOM 747 CA LEU A 49 -1.313 9.108 -2.961 1.00 0.00 C ATOM 748 C LEU A 49 -0.647 7.745 -3.085 1.00 0.00 C ATOM 749 O LEU A 49 -0.423 7.257 -4.192 1.00 0.00 O ATOM 750 CB LEU A 49 -2.803 8.993 -3.287 1.00 0.00 C ATOM 751 CG LEU A 49 -3.573 10.315 -3.284 1.00 0.00 C ATOM 752 CD1 LEU A 49 -4.997 10.094 -3.759 1.00 0.00 C ATOM 753 CD2 LEU A 49 -3.566 10.942 -1.899 1.00 0.00 C ATOM 0 H LEU A 49 -1.114 10.107 -4.786 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.205 9.469 -1.938 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.909 8.531 -4.268 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.266 8.319 -2.566 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.078 11.002 -3.970 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.534 11.042 -3.752 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.984 9.691 -4.772 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.497 9.389 -3.095 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.119 11.881 -1.922 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.035 10.261 -1.189 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.538 11.134 -1.592 1.00 0.00 H new ATOM 765 N PHE A 50 -0.323 7.138 -1.957 1.00 0.00 N ATOM 766 CA PHE A 50 0.344 5.841 -1.954 1.00 0.00 C ATOM 767 C PHE A 50 -0.151 4.983 -0.805 1.00 0.00 C ATOM 768 O PHE A 50 -0.981 5.415 -0.004 1.00 0.00 O ATOM 769 CB PHE A 50 1.863 6.000 -1.830 1.00 0.00 C ATOM 770 CG PHE A 50 2.525 6.591 -3.040 1.00 0.00 C ATOM 771 CD1 PHE A 50 2.677 5.842 -4.194 1.00 0.00 C ATOM 772 CD2 PHE A 50 3.003 7.889 -3.017 1.00 0.00 C ATOM 773 CE1 PHE A 50 3.293 6.378 -5.306 1.00 0.00 C ATOM 774 CE2 PHE A 50 3.620 8.431 -4.127 1.00 0.00 C ATOM 775 CZ PHE A 50 3.765 7.674 -5.272 1.00 0.00 C ATOM 0 H PHE A 50 -0.509 7.520 -1.030 1.00 0.00 H new ATOM 0 HA PHE A 50 0.109 5.357 -2.902 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.081 6.630 -0.968 1.00 0.00 H new ATOM 0 HB3 PHE A 50 2.303 5.023 -1.631 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.309 4.827 -4.224 1.00 0.00 H new ATOM 0 HD2 PHE A 50 2.893 8.484 -2.122 1.00 0.00 H new ATOM 0 HE1 PHE A 50 3.406 5.784 -6.201 1.00 0.00 H new ATOM 0 HE2 PHE A 50 3.989 9.446 -4.099 1.00 0.00 H new ATOM 0 HZ PHE A 50 4.248 8.096 -6.141 1.00 0.00 H new ATOM 785 N ALA A 51 0.366 3.768 -0.740 1.00 0.00 N ATOM 786 CA ALA A 51 0.119 2.892 0.387 1.00 0.00 C ATOM 787 C ALA A 51 1.372 2.825 1.244 1.00 0.00 C ATOM 788 O ALA A 51 2.433 2.428 0.771 1.00 0.00 O ATOM 789 CB ALA A 51 -0.285 1.505 -0.088 1.00 0.00 C ATOM 0 H ALA A 51 0.964 3.366 -1.462 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.704 3.289 0.981 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.466 0.863 0.774 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.194 1.575 -0.685 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.515 1.081 -0.695 1.00 0.00 H new ATOM 795 N TYR A 52 1.254 3.229 2.490 1.00 0.00 N ATOM 796 CA TYR A 52 2.405 3.327 3.368 1.00 0.00 C ATOM 797 C TYR A 52 2.295 2.343 4.519 1.00 0.00 C ATOM 798 O TYR A 52 1.196 2.005 4.965 1.00 0.00 O ATOM 799 CB TYR A 52 2.544 4.757 3.901 1.00 0.00 C ATOM 800 CG TYR A 52 1.290 5.297 4.553 1.00 0.00 C ATOM 801 CD1 TYR A 52 0.264 5.842 3.788 1.00 0.00 C ATOM 802 CD2 TYR A 52 1.131 5.268 5.933 1.00 0.00 C ATOM 803 CE1 TYR A 52 -0.880 6.337 4.379 1.00 0.00 C ATOM 804 CE2 TYR A 52 -0.011 5.761 6.530 1.00 0.00 C ATOM 805 CZ TYR A 52 -1.012 6.297 5.749 1.00 0.00 C ATOM 806 OH TYR A 52 -2.153 6.786 6.341 1.00 0.00 O ATOM 0 H TYR A 52 0.369 3.497 2.922 1.00 0.00 H new ATOM 0 HA TYR A 52 3.296 3.077 2.792 1.00 0.00 H new ATOM 0 HB2 TYR A 52 3.359 4.786 4.625 1.00 0.00 H new ATOM 0 HB3 TYR A 52 2.825 5.414 3.078 1.00 0.00 H new ATOM 0 HD1 TYR A 52 0.365 5.878 2.713 1.00 0.00 H new ATOM 0 HD2 TYR A 52 1.915 4.852 6.549 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -1.668 6.754 3.770 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -0.120 5.727 7.604 1.00 0.00 H new ATOM 0 HH TYR A 52 -2.087 6.682 7.313 1.00 0.00 H new ATOM 816 N VAL A 53 3.442 1.875 4.981 1.00 0.00 N ATOM 817 CA VAL A 53 3.496 1.014 6.147 1.00 0.00 C ATOM 818 C VAL A 53 4.189 1.738 7.297 1.00 0.00 C ATOM 819 O VAL A 53 5.232 2.379 7.114 1.00 0.00 O ATOM 820 CB VAL A 53 4.223 -0.320 5.853 1.00 0.00 C ATOM 821 CG1 VAL A 53 3.407 -1.178 4.898 1.00 0.00 C ATOM 822 CG2 VAL A 53 5.617 -0.075 5.288 1.00 0.00 C ATOM 0 H VAL A 53 4.350 2.078 4.564 1.00 0.00 H new ATOM 0 HA VAL A 53 2.469 0.775 6.425 1.00 0.00 H new ATOM 0 HB VAL A 53 4.330 -0.855 6.796 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.936 -2.111 4.705 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.437 -1.397 5.344 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.263 -0.642 3.960 1.00 0.00 H new ATOM 0 HG21 VAL A 53 6.103 -1.031 5.091 1.00 0.00 H new ATOM 0 HG22 VAL A 53 5.539 0.490 4.359 1.00 0.00 H new ATOM 0 HG23 VAL A 53 6.207 0.491 6.009 1.00 0.00 H new ATOM 832 N ASP A 54 3.583 1.663 8.474 1.00 0.00 N ATOM 833 CA ASP A 54 4.146 2.285 9.662 1.00 0.00 C ATOM 834 C ASP A 54 4.751 1.226 10.558 1.00 0.00 C ATOM 835 O ASP A 54 4.037 0.465 11.214 1.00 0.00 O ATOM 836 CB ASP A 54 3.082 3.072 10.430 1.00 0.00 C ATOM 837 CG ASP A 54 2.503 4.217 9.625 1.00 0.00 C ATOM 838 OD1 ASP A 54 3.168 5.268 9.507 1.00 0.00 O ATOM 839 OD2 ASP A 54 1.376 4.078 9.117 1.00 0.00 O ATOM 0 H ASP A 54 2.700 1.177 8.631 1.00 0.00 H new ATOM 0 HA ASP A 54 4.922 2.982 9.347 1.00 0.00 H new ATOM 0 HB2 ASP A 54 2.278 2.397 10.723 1.00 0.00 H new ATOM 0 HB3 ASP A 54 3.519 3.464 11.348 1.00 0.00 H new ATOM 844 N LEU A 55 6.069 1.167 10.569 1.00 0.00 N ATOM 845 CA LEU A 55 6.776 0.172 11.347 1.00 0.00 C ATOM 846 C LEU A 55 7.114 0.729 12.723 1.00 0.00 C ATOM 847 O LEU A 55 8.160 1.346 12.923 1.00 0.00 O ATOM 848 CB LEU A 55 8.044 -0.274 10.610 1.00 0.00 C ATOM 849 CG LEU A 55 7.823 -0.745 9.167 1.00 0.00 C ATOM 850 CD1 LEU A 55 9.143 -1.116 8.510 1.00 0.00 C ATOM 851 CD2 LEU A 55 6.857 -1.921 9.126 1.00 0.00 C ATOM 0 H LEU A 55 6.673 1.800 10.045 1.00 0.00 H new ATOM 0 HA LEU A 55 6.135 -0.700 11.478 1.00 0.00 H new ATOM 0 HB2 LEU A 55 8.752 0.555 10.601 1.00 0.00 H new ATOM 0 HB3 LEU A 55 8.508 -1.083 11.174 1.00 0.00 H new ATOM 0 HG LEU A 55 7.384 0.080 8.607 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.960 -1.447 7.488 1.00 0.00 H new ATOM 0 HD12 LEU A 55 9.800 -0.247 8.498 1.00 0.00 H new ATOM 0 HD13 LEU A 55 9.616 -1.921 9.073 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.715 -2.239 8.093 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.265 -2.748 9.707 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.898 -1.619 9.548 1.00 0.00 H new ATOM 863 N SER A 56 6.204 0.529 13.665 1.00 0.00 N ATOM 864 CA SER A 56 6.377 1.019 15.026 1.00 0.00 C ATOM 865 C SER A 56 7.386 0.172 15.804 1.00 0.00 C ATOM 866 O SER A 56 7.636 0.406 16.988 1.00 0.00 O ATOM 867 CB SER A 56 5.023 1.031 15.731 1.00 0.00 C ATOM 868 OG SER A 56 4.334 -0.191 15.522 1.00 0.00 O ATOM 0 H SER A 56 5.330 0.026 13.510 1.00 0.00 H new ATOM 0 HA SER A 56 6.775 2.033 14.985 1.00 0.00 H new ATOM 0 HB2 SER A 56 5.166 1.195 16.799 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.422 1.861 15.359 1.00 0.00 H new ATOM 0 HG SER A 56 3.470 -0.162 15.984 1.00 0.00 H new ATOM 874 N GLY A 57 7.957 -0.815 15.135 1.00 0.00 N ATOM 875 CA GLY A 57 8.968 -1.641 15.748 1.00 0.00 C ATOM 876 C GLY A 57 9.775 -2.392 14.718 1.00 0.00 C ATOM 877 O GLY A 57 9.215 -2.976 13.792 1.00 0.00 O ATOM 0 H GLY A 57 7.735 -1.059 14.170 1.00 0.00 H new ATOM 0 HA2 GLY A 57 9.632 -1.019 16.348 1.00 0.00 H new ATOM 0 HA3 GLY A 57 8.496 -2.350 16.428 1.00 0.00 H new ATOM 881 N SER A 58 11.089 -2.361 14.857 1.00 0.00 N ATOM 882 CA SER A 58 11.960 -3.101 13.961 1.00 0.00 C ATOM 883 C SER A 58 12.014 -4.563 14.386 1.00 0.00 C ATOM 884 O SER A 58 12.974 -5.005 15.020 1.00 0.00 O ATOM 885 CB SER A 58 13.358 -2.485 13.953 1.00 0.00 C ATOM 886 OG SER A 58 13.292 -1.097 13.668 1.00 0.00 O ATOM 0 H SER A 58 11.576 -1.832 15.581 1.00 0.00 H new ATOM 0 HA SER A 58 11.561 -3.048 12.948 1.00 0.00 H new ATOM 0 HB2 SER A 58 13.835 -2.640 14.921 1.00 0.00 H new ATOM 0 HB3 SER A 58 13.977 -2.985 13.208 1.00 0.00 H new ATOM 0 HG SER A 58 14.196 -0.720 13.669 1.00 0.00 H new ATOM 892 N GLU A 59 10.958 -5.297 14.066 1.00 0.00 N ATOM 893 CA GLU A 59 10.833 -6.685 14.481 1.00 0.00 C ATOM 894 C GLU A 59 11.410 -7.614 13.420 1.00 0.00 C ATOM 895 O GLU A 59 10.828 -7.780 12.348 1.00 0.00 O ATOM 896 CB GLU A 59 9.364 -7.021 14.735 1.00 0.00 C ATOM 897 CG GLU A 59 8.663 -6.014 15.631 1.00 0.00 C ATOM 898 CD GLU A 59 7.222 -6.380 15.912 1.00 0.00 C ATOM 899 OE1 GLU A 59 6.369 -6.206 15.015 1.00 0.00 O ATOM 900 OE2 GLU A 59 6.935 -6.834 17.038 1.00 0.00 O ATOM 0 H GLU A 59 10.171 -4.951 13.517 1.00 0.00 H new ATOM 0 HA GLU A 59 11.395 -6.826 15.404 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.840 -7.074 13.780 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.298 -8.009 15.190 1.00 0.00 H new ATOM 0 HG2 GLU A 59 9.204 -5.936 16.574 1.00 0.00 H new ATOM 0 HG3 GLU A 59 8.698 -5.031 15.161 1.00 0.00 H new ATOM 907 N PRO A 60 12.562 -8.236 13.709 1.00 0.00 N ATOM 908 CA PRO A 60 13.258 -9.098 12.753 1.00 0.00 C ATOM 909 C PRO A 60 12.497 -10.391 12.483 1.00 0.00 C ATOM 910 O PRO A 60 12.065 -11.078 13.409 1.00 0.00 O ATOM 911 CB PRO A 60 14.603 -9.399 13.431 1.00 0.00 C ATOM 912 CG PRO A 60 14.687 -8.471 14.598 1.00 0.00 C ATOM 913 CD PRO A 60 13.271 -8.167 14.991 1.00 0.00 C ATOM 0 HA PRO A 60 13.363 -8.616 11.781 1.00 0.00 H new ATOM 0 HB2 PRO A 60 14.654 -10.439 13.754 1.00 0.00 H new ATOM 0 HB3 PRO A 60 15.433 -9.238 12.743 1.00 0.00 H new ATOM 0 HG2 PRO A 60 15.230 -8.931 15.423 1.00 0.00 H new ATOM 0 HG3 PRO A 60 15.222 -7.559 14.333 1.00 0.00 H new ATOM 0 HD2 PRO A 60 12.885 -8.892 15.708 1.00 0.00 H new ATOM 0 HD3 PRO A 60 13.180 -7.183 15.452 1.00 0.00 H new ATOM 921 N GLY A 61 12.339 -10.710 11.212 1.00 0.00 N ATOM 922 CA GLY A 61 11.590 -11.882 10.823 1.00 0.00 C ATOM 923 C GLY A 61 10.351 -11.513 10.041 1.00 0.00 C ATOM 924 O GLY A 61 10.026 -10.329 9.909 1.00 0.00 O ATOM 0 H GLY A 61 12.721 -10.172 10.434 1.00 0.00 H new ATOM 0 HA2 GLY A 61 12.221 -12.535 10.220 1.00 0.00 H new ATOM 0 HA3 GLY A 61 11.306 -12.445 11.712 1.00 0.00 H new ATOM 928 N GLU A 62 9.654 -12.516 9.532 1.00 0.00 N ATOM 929 CA GLU A 62 8.452 -12.292 8.744 1.00 0.00 C ATOM 930 C GLU A 62 7.287 -11.942 9.659 1.00 0.00 C ATOM 931 O GLU A 62 6.764 -12.801 10.367 1.00 0.00 O ATOM 932 CB GLU A 62 8.122 -13.536 7.915 1.00 0.00 C ATOM 933 CG GLU A 62 9.298 -14.031 7.090 1.00 0.00 C ATOM 934 CD GLU A 62 8.947 -15.212 6.209 1.00 0.00 C ATOM 935 OE1 GLU A 62 8.911 -16.351 6.717 1.00 0.00 O ATOM 936 OE2 GLU A 62 8.733 -15.009 4.997 1.00 0.00 O ATOM 0 H GLU A 62 9.901 -13.498 9.651 1.00 0.00 H new ATOM 0 HA GLU A 62 8.627 -11.459 8.064 1.00 0.00 H new ATOM 0 HB2 GLU A 62 7.792 -14.333 8.582 1.00 0.00 H new ATOM 0 HB3 GLU A 62 7.288 -13.312 7.250 1.00 0.00 H new ATOM 0 HG2 GLU A 62 9.666 -13.216 6.466 1.00 0.00 H new ATOM 0 HG3 GLU A 62 10.111 -14.313 7.759 1.00 0.00 H new ATOM 943 N HIS A 63 6.898 -10.677 9.659 1.00 0.00 N ATOM 944 CA HIS A 63 5.835 -10.206 10.534 1.00 0.00 C ATOM 945 C HIS A 63 4.661 -9.658 9.732 1.00 0.00 C ATOM 946 O HIS A 63 4.815 -9.234 8.585 1.00 0.00 O ATOM 947 CB HIS A 63 6.358 -9.141 11.501 1.00 0.00 C ATOM 948 CG HIS A 63 7.234 -9.693 12.584 1.00 0.00 C ATOM 949 ND1 HIS A 63 8.602 -9.796 12.470 1.00 0.00 N ATOM 950 CD2 HIS A 63 6.924 -10.183 13.807 1.00 0.00 C ATOM 951 CE1 HIS A 63 9.093 -10.327 13.574 1.00 0.00 C ATOM 952 NE2 HIS A 63 8.098 -10.574 14.402 1.00 0.00 N ATOM 0 H HIS A 63 7.303 -9.956 9.062 1.00 0.00 H new ATOM 0 HA HIS A 63 5.483 -11.060 11.113 1.00 0.00 H new ATOM 0 HB2 HIS A 63 6.918 -8.394 10.938 1.00 0.00 H new ATOM 0 HB3 HIS A 63 5.511 -8.628 11.956 1.00 0.00 H new ATOM 0 HD1 HIS A 63 9.150 -9.507 11.660 1.00 0.00 H new ATOM 0 HD2 HIS A 63 5.935 -10.253 14.236 1.00 0.00 H new ATOM 0 HE1 HIS A 63 10.137 -10.526 13.767 1.00 0.00 H new ATOM 961 N ASP A 64 3.496 -9.671 10.358 1.00 0.00 N ATOM 962 CA ASP A 64 2.251 -9.260 9.719 1.00 0.00 C ATOM 963 C ASP A 64 2.016 -7.767 9.936 1.00 0.00 C ATOM 964 O ASP A 64 1.864 -7.322 11.074 1.00 0.00 O ATOM 965 CB ASP A 64 1.104 -10.079 10.321 1.00 0.00 C ATOM 966 CG ASP A 64 -0.200 -9.947 9.568 1.00 0.00 C ATOM 967 OD1 ASP A 64 -0.417 -10.728 8.613 1.00 0.00 O ATOM 968 OD2 ASP A 64 -1.030 -9.099 9.953 1.00 0.00 O ATOM 0 H ASP A 64 3.384 -9.968 11.327 1.00 0.00 H new ATOM 0 HA ASP A 64 2.305 -9.438 8.645 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.394 -11.129 10.346 1.00 0.00 H new ATOM 0 HB3 ASP A 64 0.950 -9.767 11.354 1.00 0.00 H new ATOM 973 N TYR A 65 2.010 -6.991 8.857 1.00 0.00 N ATOM 974 CA TYR A 65 1.861 -5.540 8.968 1.00 0.00 C ATOM 975 C TYR A 65 0.729 -5.019 8.086 1.00 0.00 C ATOM 976 O TYR A 65 0.354 -5.648 7.097 1.00 0.00 O ATOM 977 CB TYR A 65 3.172 -4.830 8.620 1.00 0.00 C ATOM 978 CG TYR A 65 4.262 -5.029 9.651 1.00 0.00 C ATOM 979 CD1 TYR A 65 4.156 -4.462 10.916 1.00 0.00 C ATOM 980 CD2 TYR A 65 5.392 -5.785 9.365 1.00 0.00 C ATOM 981 CE1 TYR A 65 5.146 -4.640 11.865 1.00 0.00 C ATOM 982 CE2 TYR A 65 6.385 -5.968 10.309 1.00 0.00 C ATOM 983 CZ TYR A 65 6.258 -5.394 11.557 1.00 0.00 C ATOM 984 OH TYR A 65 7.246 -5.576 12.498 1.00 0.00 O ATOM 0 H TYR A 65 2.106 -7.337 7.902 1.00 0.00 H new ATOM 0 HA TYR A 65 1.606 -5.320 10.005 1.00 0.00 H new ATOM 0 HB2 TYR A 65 3.526 -5.192 7.655 1.00 0.00 H new ATOM 0 HB3 TYR A 65 2.979 -3.763 8.509 1.00 0.00 H new ATOM 0 HD1 TYR A 65 3.285 -3.872 11.162 1.00 0.00 H new ATOM 0 HD2 TYR A 65 5.496 -6.237 8.390 1.00 0.00 H new ATOM 0 HE1 TYR A 65 5.048 -4.191 12.842 1.00 0.00 H new ATOM 0 HE2 TYR A 65 7.257 -6.558 10.070 1.00 0.00 H new ATOM 0 HH TYR A 65 6.840 -5.669 13.385 1.00 0.00 H new ATOM 994 N GLU A 66 0.210 -3.850 8.443 1.00 0.00 N ATOM 995 CA GLU A 66 -0.967 -3.287 7.790 1.00 0.00 C ATOM 996 C GLU A 66 -0.588 -2.426 6.590 1.00 0.00 C ATOM 997 O GLU A 66 0.430 -1.735 6.608 1.00 0.00 O ATOM 998 CB GLU A 66 -1.752 -2.430 8.781 1.00 0.00 C ATOM 999 CG GLU A 66 -2.219 -3.180 10.018 1.00 0.00 C ATOM 1000 CD GLU A 66 -2.942 -2.276 10.994 1.00 0.00 C ATOM 1001 OE1 GLU A 66 -4.113 -1.934 10.739 1.00 0.00 O ATOM 1002 OE2 GLU A 66 -2.334 -1.879 12.011 1.00 0.00 O ATOM 0 H GLU A 66 0.590 -3.268 9.189 1.00 0.00 H new ATOM 0 HA GLU A 66 -1.577 -4.121 7.441 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -1.129 -1.591 9.092 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -2.621 -2.011 8.274 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -2.881 -3.993 9.720 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.360 -3.633 10.513 1.00 0.00 H new ATOM 1009 N VAL A 67 -1.419 -2.468 5.558 1.00 0.00 N ATOM 1010 CA VAL A 67 -1.264 -1.592 4.407 1.00 0.00 C ATOM 1011 C VAL A 67 -2.218 -0.408 4.531 1.00 0.00 C ATOM 1012 O VAL A 67 -3.439 -0.582 4.508 1.00 0.00 O ATOM 1013 CB VAL A 67 -1.549 -2.333 3.084 1.00 0.00 C ATOM 1014 CG1 VAL A 67 -1.360 -1.409 1.891 1.00 0.00 C ATOM 1015 CG2 VAL A 67 -0.663 -3.561 2.957 1.00 0.00 C ATOM 0 H VAL A 67 -2.213 -3.105 5.495 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.230 -1.247 4.390 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.589 -2.659 3.096 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.567 -1.956 0.971 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.044 -0.564 1.973 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -0.333 -1.044 1.873 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.879 -4.070 2.018 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.384 -3.258 2.973 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.857 -4.238 3.789 1.00 0.00 H new ATOM 1025 N LYS A 68 -1.668 0.785 4.687 1.00 0.00 N ATOM 1026 CA LYS A 68 -2.481 1.982 4.838 1.00 0.00 C ATOM 1027 C LYS A 68 -2.404 2.832 3.581 1.00 0.00 C ATOM 1028 O LYS A 68 -1.321 3.184 3.130 1.00 0.00 O ATOM 1029 CB LYS A 68 -2.012 2.788 6.048 1.00 0.00 C ATOM 1030 CG LYS A 68 -2.072 2.015 7.351 1.00 0.00 C ATOM 1031 CD LYS A 68 -1.521 2.835 8.502 1.00 0.00 C ATOM 1032 CE LYS A 68 -1.571 2.066 9.811 1.00 0.00 C ATOM 1033 NZ LYS A 68 -2.962 1.695 10.186 1.00 0.00 N ATOM 0 H LYS A 68 -0.662 0.951 4.712 1.00 0.00 H new ATOM 0 HA LYS A 68 -3.517 1.683 4.995 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -0.988 3.120 5.879 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -2.626 3.684 6.138 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -3.104 1.734 7.563 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -1.503 1.090 7.255 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -0.491 3.120 8.286 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -2.094 3.757 8.599 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -0.966 1.164 9.725 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -1.131 2.671 10.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -2.981 1.373 11.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -3.583 2.523 10.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -3.296 0.930 9.566 1.00 0.00 H new ATOM 1047 N VAL A 69 -3.550 3.152 3.011 1.00 0.00 N ATOM 1048 CA VAL A 69 -3.594 3.942 1.793 1.00 0.00 C ATOM 1049 C VAL A 69 -3.968 5.386 2.105 1.00 0.00 C ATOM 1050 O VAL A 69 -4.856 5.640 2.926 1.00 0.00 O ATOM 1051 CB VAL A 69 -4.606 3.356 0.783 1.00 0.00 C ATOM 1052 CG1 VAL A 69 -4.607 4.150 -0.516 1.00 0.00 C ATOM 1053 CG2 VAL A 69 -4.303 1.891 0.512 1.00 0.00 C ATOM 0 H VAL A 69 -4.464 2.877 3.371 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.600 3.914 1.348 1.00 0.00 H new ATOM 0 HB VAL A 69 -5.600 3.429 1.223 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -5.328 3.715 -1.208 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -4.880 5.185 -0.310 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.613 4.119 -0.962 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.026 1.496 -0.201 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.298 1.797 0.100 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -4.367 1.328 1.443 1.00 0.00 H new ATOM 1063 N GLU A 70 -3.262 6.320 1.478 1.00 0.00 N ATOM 1064 CA GLU A 70 -3.577 7.740 1.588 1.00 0.00 C ATOM 1065 C GLU A 70 -5.031 7.988 1.201 1.00 0.00 C ATOM 1066 O GLU A 70 -5.450 7.627 0.100 1.00 0.00 O ATOM 1067 CB GLU A 70 -2.657 8.556 0.676 1.00 0.00 C ATOM 1068 CG GLU A 70 -1.208 8.610 1.133 1.00 0.00 C ATOM 1069 CD GLU A 70 -0.983 9.618 2.241 1.00 0.00 C ATOM 1070 OE1 GLU A 70 -0.889 10.826 1.935 1.00 0.00 O ATOM 1071 OE2 GLU A 70 -0.893 9.215 3.417 1.00 0.00 O ATOM 0 H GLU A 70 -2.460 6.116 0.882 1.00 0.00 H new ATOM 0 HA GLU A 70 -3.424 8.051 2.622 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.693 8.134 -0.328 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -3.042 9.573 0.608 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.903 7.622 1.478 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.572 8.861 0.284 1.00 0.00 H new ATOM 1078 N PRO A 71 -5.825 8.576 2.111 1.00 0.00 N ATOM 1079 CA PRO A 71 -7.230 8.895 1.847 1.00 0.00 C ATOM 1080 C PRO A 71 -7.399 9.713 0.574 1.00 0.00 C ATOM 1081 O PRO A 71 -6.908 10.843 0.474 1.00 0.00 O ATOM 1082 CB PRO A 71 -7.650 9.708 3.076 1.00 0.00 C ATOM 1083 CG PRO A 71 -6.721 9.273 4.153 1.00 0.00 C ATOM 1084 CD PRO A 71 -5.415 8.961 3.474 1.00 0.00 C ATOM 0 HA PRO A 71 -7.834 8.001 1.693 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -7.566 10.779 2.890 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -8.688 9.511 3.345 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -6.595 10.057 4.900 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -7.109 8.397 4.673 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -4.750 9.824 3.465 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -4.883 8.154 3.977 1.00 0.00 H new ATOM 1092 N ILE A 72 -8.087 9.134 -0.398 1.00 0.00 N ATOM 1093 CA ILE A 72 -8.257 9.756 -1.699 1.00 0.00 C ATOM 1094 C ILE A 72 -9.378 10.784 -1.669 1.00 0.00 C ATOM 1095 O ILE A 72 -10.514 10.461 -1.319 1.00 0.00 O ATOM 1096 CB ILE A 72 -8.562 8.697 -2.786 1.00 0.00 C ATOM 1097 CG1 ILE A 72 -7.497 7.601 -2.765 1.00 0.00 C ATOM 1098 CG2 ILE A 72 -8.630 9.350 -4.160 1.00 0.00 C ATOM 1099 CD1 ILE A 72 -7.782 6.453 -3.711 1.00 0.00 C ATOM 0 H ILE A 72 -8.540 8.225 -0.307 1.00 0.00 H new ATOM 0 HA ILE A 72 -7.320 10.257 -1.944 1.00 0.00 H new ATOM 0 HB ILE A 72 -9.531 8.245 -2.573 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -6.533 8.040 -3.021 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -7.410 7.211 -1.751 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -8.845 8.592 -4.913 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -9.419 10.102 -4.167 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -7.675 9.824 -4.385 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -6.982 5.716 -3.640 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -8.730 5.987 -3.443 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -7.839 6.829 -4.733 1.00 0.00 H new ATOM 1111 N PRO A 73 -9.072 12.041 -2.004 1.00 0.00 N ATOM 1112 CA PRO A 73 -10.077 13.099 -2.081 1.00 0.00 C ATOM 1113 C PRO A 73 -10.979 12.935 -3.303 1.00 0.00 C ATOM 1114 O PRO A 73 -10.520 12.497 -4.362 1.00 0.00 O ATOM 1115 CB PRO A 73 -9.244 14.376 -2.194 1.00 0.00 C ATOM 1116 CG PRO A 73 -7.955 13.940 -2.805 1.00 0.00 C ATOM 1117 CD PRO A 73 -7.716 12.535 -2.325 1.00 0.00 C ATOM 0 HA PRO A 73 -10.748 13.095 -1.222 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -9.744 15.120 -2.814 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -9.084 14.831 -1.217 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -8.009 13.976 -3.893 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -7.140 14.598 -2.504 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -7.238 11.925 -3.092 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -7.065 12.515 -1.451 1.00 0.00 H new ATOM 1125 N ASN A 74 -12.265 13.259 -3.130 1.00 0.00 N ATOM 1126 CA ASN A 74 -13.261 13.227 -4.214 1.00 0.00 C ATOM 1127 C ASN A 74 -13.679 11.797 -4.563 1.00 0.00 C ATOM 1128 O ASN A 74 -14.866 11.515 -4.739 1.00 0.00 O ATOM 1129 CB ASN A 74 -12.741 13.950 -5.468 1.00 0.00 C ATOM 1130 CG ASN A 74 -13.742 13.946 -6.612 1.00 0.00 C ATOM 1131 OD1 ASN A 74 -14.575 14.844 -6.726 1.00 0.00 O ATOM 1132 ND2 ASN A 74 -13.653 12.949 -7.478 1.00 0.00 N ATOM 0 H ASN A 74 -12.649 13.552 -2.232 1.00 0.00 H new ATOM 0 HA ASN A 74 -14.143 13.754 -3.849 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -12.495 14.980 -5.211 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -11.818 13.475 -5.798 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -14.289 12.907 -8.274 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -12.948 12.223 -7.349 1.00 0.00 H new ATOM 1139 N ILE A 75 -12.706 10.908 -4.664 1.00 0.00 N ATOM 1140 CA ILE A 75 -12.951 9.528 -5.053 1.00 0.00 C ATOM 1141 C ILE A 75 -13.186 8.647 -3.827 1.00 0.00 C ATOM 1142 O ILE A 75 -12.485 8.770 -2.823 1.00 0.00 O ATOM 1143 CB ILE A 75 -11.759 8.976 -5.867 1.00 0.00 C ATOM 1144 CG1 ILE A 75 -11.534 9.811 -7.129 1.00 0.00 C ATOM 1145 CG2 ILE A 75 -11.979 7.520 -6.232 1.00 0.00 C ATOM 1146 CD1 ILE A 75 -12.706 9.791 -8.088 1.00 0.00 C ATOM 0 H ILE A 75 -11.726 11.121 -4.479 1.00 0.00 H new ATOM 0 HA ILE A 75 -13.848 9.511 -5.673 1.00 0.00 H new ATOM 0 HB ILE A 75 -10.868 9.042 -5.243 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -11.329 10.842 -6.840 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -10.647 9.442 -7.645 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -11.126 7.156 -6.804 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -12.085 6.929 -5.322 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -12.884 7.428 -6.832 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -12.474 10.404 -8.959 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -12.898 8.766 -8.407 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -13.591 10.188 -7.590 1.00 0.00 H new ATOM 1158 N LYS A 76 -14.178 7.767 -3.907 1.00 0.00 N ATOM 1159 CA LYS A 76 -14.472 6.845 -2.816 1.00 0.00 C ATOM 1160 C LYS A 76 -13.594 5.606 -2.927 1.00 0.00 C ATOM 1161 O LYS A 76 -13.444 5.050 -4.013 1.00 0.00 O ATOM 1162 CB LYS A 76 -15.944 6.425 -2.847 1.00 0.00 C ATOM 1163 CG LYS A 76 -16.313 5.435 -1.752 1.00 0.00 C ATOM 1164 CD LYS A 76 -17.628 4.731 -2.047 1.00 0.00 C ATOM 1165 CE LYS A 76 -17.967 3.722 -0.962 1.00 0.00 C ATOM 1166 NZ LYS A 76 -19.163 2.908 -1.309 1.00 0.00 N ATOM 0 H LYS A 76 -14.792 7.673 -4.716 1.00 0.00 H new ATOM 0 HA LYS A 76 -14.267 7.355 -1.875 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -16.569 7.312 -2.750 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -16.167 5.982 -3.818 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -15.520 4.695 -1.649 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -16.387 5.958 -0.799 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -18.428 5.467 -2.125 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -17.565 4.225 -3.011 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -17.114 3.062 -0.802 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -18.146 4.246 -0.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -19.358 2.233 -0.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -19.984 3.534 -1.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -18.984 2.387 -2.191 1.00 0.00 H new ATOM 1180 N ILE A 77 -13.022 5.171 -1.814 1.00 0.00 N ATOM 1181 CA ILE A 77 -12.219 3.958 -1.801 1.00 0.00 C ATOM 1182 C ILE A 77 -13.071 2.772 -1.350 1.00 0.00 C ATOM 1183 O ILE A 77 -13.833 2.869 -0.386 1.00 0.00 O ATOM 1184 CB ILE A 77 -10.967 4.101 -0.898 1.00 0.00 C ATOM 1185 CG1 ILE A 77 -10.071 2.862 -1.017 1.00 0.00 C ATOM 1186 CG2 ILE A 77 -11.361 4.335 0.555 1.00 0.00 C ATOM 1187 CD1 ILE A 77 -8.785 2.963 -0.226 1.00 0.00 C ATOM 0 H ILE A 77 -13.099 5.639 -0.911 1.00 0.00 H new ATOM 0 HA ILE A 77 -11.866 3.782 -2.817 1.00 0.00 H new ATOM 0 HB ILE A 77 -10.406 4.970 -1.240 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -10.628 1.988 -0.679 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -9.829 2.699 -2.067 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -10.463 4.431 1.165 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -11.950 5.249 0.630 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -11.953 3.492 0.912 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -8.204 2.051 -0.359 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -8.207 3.817 -0.579 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -9.017 3.095 0.831 1.00 0.00 H new ATOM 1199 N VAL A 78 -12.969 1.668 -2.072 1.00 0.00 N ATOM 1200 CA VAL A 78 -13.782 0.492 -1.797 1.00 0.00 C ATOM 1201 C VAL A 78 -12.938 -0.651 -1.252 1.00 0.00 C ATOM 1202 O VAL A 78 -13.176 -1.156 -0.155 1.00 0.00 O ATOM 1203 CB VAL A 78 -14.491 -0.004 -3.075 1.00 0.00 C ATOM 1204 CG1 VAL A 78 -15.422 -1.166 -2.770 1.00 0.00 C ATOM 1205 CG2 VAL A 78 -15.236 1.130 -3.751 1.00 0.00 C ATOM 0 H VAL A 78 -12.328 1.561 -2.858 1.00 0.00 H new ATOM 0 HA VAL A 78 -14.520 0.791 -1.053 1.00 0.00 H new ATOM 0 HB VAL A 78 -13.728 -0.365 -3.765 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -15.907 -1.494 -3.689 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -14.848 -1.991 -2.348 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -16.179 -0.847 -2.054 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -15.728 0.758 -4.649 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -15.984 1.532 -3.068 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -14.532 1.917 -4.023 1.00 0.00 H new ATOM 1215 N GLU A 79 -11.945 -1.047 -2.030 1.00 0.00 N ATOM 1216 CA GLU A 79 -11.185 -2.251 -1.744 1.00 0.00 C ATOM 1217 C GLU A 79 -9.695 -1.965 -1.686 1.00 0.00 C ATOM 1218 O GLU A 79 -9.128 -1.415 -2.626 1.00 0.00 O ATOM 1219 CB GLU A 79 -11.466 -3.298 -2.825 1.00 0.00 C ATOM 1220 CG GLU A 79 -10.594 -4.540 -2.726 1.00 0.00 C ATOM 1221 CD GLU A 79 -10.865 -5.531 -3.839 1.00 0.00 C ATOM 1222 OE1 GLU A 79 -10.422 -5.292 -4.980 1.00 0.00 O ATOM 1223 OE2 GLU A 79 -11.526 -6.557 -3.576 1.00 0.00 O ATOM 0 H GLU A 79 -11.646 -0.549 -2.868 1.00 0.00 H new ATOM 0 HA GLU A 79 -11.494 -2.627 -0.769 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -12.513 -3.596 -2.764 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -11.321 -2.842 -3.804 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -9.545 -4.246 -2.753 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -10.764 -5.024 -1.764 1.00 0.00 H new ATOM 1230 N ILE A 80 -9.074 -2.326 -0.578 1.00 0.00 N ATOM 1231 CA ILE A 80 -7.629 -2.268 -0.464 1.00 0.00 C ATOM 1232 C ILE A 80 -7.058 -3.662 -0.695 1.00 0.00 C ATOM 1233 O ILE A 80 -7.303 -4.577 0.087 1.00 0.00 O ATOM 1234 CB ILE A 80 -7.187 -1.751 0.924 1.00 0.00 C ATOM 1235 CG1 ILE A 80 -7.830 -0.393 1.219 1.00 0.00 C ATOM 1236 CG2 ILE A 80 -5.669 -1.648 0.992 1.00 0.00 C ATOM 1237 CD1 ILE A 80 -7.513 0.145 2.599 1.00 0.00 C ATOM 0 H ILE A 80 -9.550 -2.664 0.258 1.00 0.00 H new ATOM 0 HA ILE A 80 -7.252 -1.572 -1.214 1.00 0.00 H new ATOM 0 HB ILE A 80 -7.520 -2.461 1.681 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -7.495 0.327 0.472 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -8.911 -0.482 1.113 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -5.373 -1.283 1.975 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -5.230 -2.631 0.823 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -5.317 -0.956 0.227 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -8.003 1.109 2.735 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -7.873 -0.554 3.354 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -6.435 0.268 2.703 1.00 0.00 H new ATOM 1249 N SER A 81 -6.326 -3.837 -1.777 1.00 0.00 N ATOM 1250 CA SER A 81 -5.763 -5.138 -2.093 1.00 0.00 C ATOM 1251 C SER A 81 -4.258 -5.040 -2.335 1.00 0.00 C ATOM 1252 O SER A 81 -3.821 -4.454 -3.332 1.00 0.00 O ATOM 1253 CB SER A 81 -6.475 -5.743 -3.308 1.00 0.00 C ATOM 1254 OG SER A 81 -6.513 -4.832 -4.396 1.00 0.00 O ATOM 0 H SER A 81 -6.107 -3.102 -2.449 1.00 0.00 H new ATOM 0 HA SER A 81 -5.918 -5.796 -1.238 1.00 0.00 H new ATOM 0 HB2 SER A 81 -5.963 -6.655 -3.614 1.00 0.00 H new ATOM 0 HB3 SER A 81 -7.491 -6.025 -3.032 1.00 0.00 H new ATOM 0 HG SER A 81 -5.951 -4.055 -4.192 1.00 0.00 H new ATOM 1260 N PRO A 82 -3.438 -5.592 -1.423 1.00 0.00 N ATOM 1261 CA PRO A 82 -3.906 -6.247 -0.195 1.00 0.00 C ATOM 1262 C PRO A 82 -4.062 -5.269 0.975 1.00 0.00 C ATOM 1263 O PRO A 82 -3.518 -4.167 0.947 1.00 0.00 O ATOM 1264 CB PRO A 82 -2.781 -7.234 0.087 1.00 0.00 C ATOM 1265 CG PRO A 82 -1.546 -6.558 -0.411 1.00 0.00 C ATOM 1266 CD PRO A 82 -1.970 -5.633 -1.528 1.00 0.00 C ATOM 0 HA PRO A 82 -4.892 -6.697 -0.311 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -2.708 -7.457 1.151 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -2.948 -8.181 -0.426 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -1.062 -5.999 0.390 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -0.823 -7.291 -0.770 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -1.534 -4.641 -1.411 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -1.650 -6.009 -2.500 1.00 0.00 H new ATOM 1274 N ARG A 83 -4.801 -5.680 2.003 1.00 0.00 N ATOM 1275 CA ARG A 83 -4.985 -4.849 3.193 1.00 0.00 C ATOM 1276 C ARG A 83 -3.863 -5.098 4.191 1.00 0.00 C ATOM 1277 O ARG A 83 -3.549 -4.239 5.021 1.00 0.00 O ATOM 1278 CB ARG A 83 -6.329 -5.146 3.863 1.00 0.00 C ATOM 1279 CG ARG A 83 -7.538 -4.744 3.040 1.00 0.00 C ATOM 1280 CD ARG A 83 -8.822 -5.252 3.670 1.00 0.00 C ATOM 1281 NE ARG A 83 -8.792 -6.704 3.837 1.00 0.00 N ATOM 1282 CZ ARG A 83 -9.396 -7.362 4.826 1.00 0.00 C ATOM 1283 NH1 ARG A 83 -10.164 -6.717 5.696 1.00 0.00 N ATOM 1284 NH2 ARG A 83 -9.251 -8.675 4.929 1.00 0.00 N ATOM 0 H ARG A 83 -5.281 -6.579 2.037 1.00 0.00 H new ATOM 0 HA ARG A 83 -4.968 -3.806 2.877 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -6.388 -6.213 4.076 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -6.367 -4.627 4.821 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -7.577 -3.658 2.952 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -7.443 -5.142 2.030 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -8.968 -4.775 4.639 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -9.671 -4.973 3.046 1.00 0.00 H new ATOM 0 HE ARG A 83 -8.273 -7.251 3.150 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -10.296 -5.709 5.611 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -10.622 -7.229 6.450 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -8.678 -9.179 4.252 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -9.712 -9.181 5.685 1.00 0.00 H new ATOM 1298 N VAL A 84 -3.275 -6.285 4.114 1.00 0.00 N ATOM 1299 CA VAL A 84 -2.221 -6.687 5.032 1.00 0.00 C ATOM 1300 C VAL A 84 -1.084 -7.370 4.275 1.00 0.00 C ATOM 1301 O VAL A 84 -1.322 -8.214 3.409 1.00 0.00 O ATOM 1302 CB VAL A 84 -2.757 -7.653 6.111 1.00 0.00 C ATOM 1303 CG1 VAL A 84 -1.647 -8.063 7.060 1.00 0.00 C ATOM 1304 CG2 VAL A 84 -3.907 -7.026 6.883 1.00 0.00 C ATOM 0 H VAL A 84 -3.514 -6.991 3.418 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.850 -5.784 5.517 1.00 0.00 H new ATOM 0 HB VAL A 84 -3.131 -8.544 5.607 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.045 -8.744 7.813 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.856 -8.563 6.501 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.241 -7.178 7.549 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -4.265 -7.728 7.636 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.563 -6.114 7.371 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -4.718 -6.786 6.196 1.00 0.00 H new ATOM 1314 N VAL A 85 0.149 -7.009 4.606 1.00 0.00 N ATOM 1315 CA VAL A 85 1.316 -7.601 3.967 1.00 0.00 C ATOM 1316 C VAL A 85 2.234 -8.242 4.997 1.00 0.00 C ATOM 1317 O VAL A 85 2.280 -7.824 6.156 1.00 0.00 O ATOM 1318 CB VAL A 85 2.125 -6.570 3.147 1.00 0.00 C ATOM 1319 CG1 VAL A 85 1.374 -6.176 1.886 1.00 0.00 C ATOM 1320 CG2 VAL A 85 2.452 -5.341 3.985 1.00 0.00 C ATOM 0 H VAL A 85 0.366 -6.308 5.314 1.00 0.00 H new ATOM 0 HA VAL A 85 0.937 -8.361 3.284 1.00 0.00 H new ATOM 0 HB VAL A 85 3.065 -7.037 2.853 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.962 -5.450 1.324 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.206 -7.060 1.271 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.415 -5.735 2.157 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.021 -4.632 3.384 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.527 -4.872 4.320 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.042 -5.638 4.852 1.00 0.00 H new ATOM 1330 N THR A 86 2.954 -9.264 4.572 1.00 0.00 N ATOM 1331 CA THR A 86 3.901 -9.937 5.437 1.00 0.00 C ATOM 1332 C THR A 86 5.313 -9.463 5.115 1.00 0.00 C ATOM 1333 O THR A 86 5.867 -9.796 4.067 1.00 0.00 O ATOM 1334 CB THR A 86 3.800 -11.465 5.276 1.00 0.00 C ATOM 1335 OG1 THR A 86 2.426 -11.870 5.405 1.00 0.00 O ATOM 1336 CG2 THR A 86 4.644 -12.184 6.321 1.00 0.00 C ATOM 0 H THR A 86 2.899 -9.646 3.628 1.00 0.00 H new ATOM 0 HA THR A 86 3.666 -9.691 6.473 1.00 0.00 H new ATOM 0 HB THR A 86 4.177 -11.733 4.289 1.00 0.00 H new ATOM 0 HG1 THR A 86 2.360 -12.842 5.301 1.00 0.00 H new ATOM 0 HG21 THR A 86 4.553 -13.261 6.183 1.00 0.00 H new ATOM 0 HG22 THR A 86 5.688 -11.890 6.210 1.00 0.00 H new ATOM 0 HG23 THR A 86 4.295 -11.915 7.318 1.00 0.00 H new ATOM 1344 N LEU A 87 5.878 -8.661 6.006 1.00 0.00 N ATOM 1345 CA LEU A 87 7.172 -8.044 5.760 1.00 0.00 C ATOM 1346 C LEU A 87 8.280 -8.775 6.505 1.00 0.00 C ATOM 1347 O LEU A 87 8.121 -9.150 7.667 1.00 0.00 O ATOM 1348 CB LEU A 87 7.149 -6.570 6.175 1.00 0.00 C ATOM 1349 CG LEU A 87 6.140 -5.696 5.427 1.00 0.00 C ATOM 1350 CD1 LEU A 87 6.184 -4.267 5.947 1.00 0.00 C ATOM 1351 CD2 LEU A 87 6.413 -5.725 3.932 1.00 0.00 C ATOM 0 H LEU A 87 5.460 -8.423 6.905 1.00 0.00 H new ATOM 0 HA LEU A 87 7.375 -8.111 4.691 1.00 0.00 H new ATOM 0 HB2 LEU A 87 6.933 -6.513 7.242 1.00 0.00 H new ATOM 0 HB3 LEU A 87 8.145 -6.153 6.029 1.00 0.00 H new ATOM 0 HG LEU A 87 5.142 -6.097 5.603 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.460 -3.660 5.404 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.940 -4.259 7.009 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.183 -3.857 5.801 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.685 -5.098 3.417 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.418 -5.349 3.738 1.00 0.00 H new ATOM 0 HD23 LEU A 87 6.332 -6.749 3.567 1.00 0.00 H new ATOM 1363 N GLN A 88 9.398 -8.972 5.825 1.00 0.00 N ATOM 1364 CA GLN A 88 10.561 -9.614 6.420 1.00 0.00 C ATOM 1365 C GLN A 88 11.568 -8.554 6.843 1.00 0.00 C ATOM 1366 O GLN A 88 12.189 -7.911 5.996 1.00 0.00 O ATOM 1367 CB GLN A 88 11.212 -10.566 5.415 1.00 0.00 C ATOM 1368 CG GLN A 88 10.256 -11.597 4.841 1.00 0.00 C ATOM 1369 CD GLN A 88 10.857 -12.364 3.680 1.00 0.00 C ATOM 1370 OE1 GLN A 88 11.706 -11.849 2.953 1.00 0.00 O ATOM 1371 NE2 GLN A 88 10.409 -13.592 3.483 1.00 0.00 N ATOM 0 H GLN A 88 9.526 -8.694 4.852 1.00 0.00 H new ATOM 0 HA GLN A 88 10.242 -10.184 7.292 1.00 0.00 H new ATOM 0 HB2 GLN A 88 11.636 -9.983 4.598 1.00 0.00 H new ATOM 0 HB3 GLN A 88 12.040 -11.082 5.901 1.00 0.00 H new ATOM 0 HG2 GLN A 88 9.969 -12.298 5.625 1.00 0.00 H new ATOM 0 HG3 GLN A 88 9.345 -11.098 4.510 1.00 0.00 H new ATOM 0 HE21 GLN A 88 9.704 -13.984 4.108 1.00 0.00 H new ATOM 0 HE22 GLN A 88 10.768 -14.147 2.706 1.00 0.00 H new ATOM 1380 N LEU A 89 11.718 -8.354 8.142 1.00 0.00 N ATOM 1381 CA LEU A 89 12.623 -7.331 8.645 1.00 0.00 C ATOM 1382 C LEU A 89 13.903 -7.936 9.196 1.00 0.00 C ATOM 1383 O LEU A 89 13.890 -9.003 9.801 1.00 0.00 O ATOM 1384 CB LEU A 89 11.951 -6.496 9.733 1.00 0.00 C ATOM 1385 CG LEU A 89 10.778 -5.639 9.269 1.00 0.00 C ATOM 1386 CD1 LEU A 89 10.237 -4.818 10.425 1.00 0.00 C ATOM 1387 CD2 LEU A 89 11.205 -4.734 8.128 1.00 0.00 C ATOM 0 H LEU A 89 11.229 -8.882 8.864 1.00 0.00 H new ATOM 0 HA LEU A 89 12.877 -6.690 7.801 1.00 0.00 H new ATOM 0 HB2 LEU A 89 11.601 -7.167 10.518 1.00 0.00 H new ATOM 0 HB3 LEU A 89 12.700 -5.844 10.182 1.00 0.00 H new ATOM 0 HG LEU A 89 9.986 -6.296 8.910 1.00 0.00 H new ATOM 0 HD11 LEU A 89 9.400 -4.211 10.080 1.00 0.00 H new ATOM 0 HD12 LEU A 89 9.899 -5.485 11.218 1.00 0.00 H new ATOM 0 HD13 LEU A 89 11.023 -4.168 10.809 1.00 0.00 H new ATOM 0 HD21 LEU A 89 10.357 -4.128 7.807 1.00 0.00 H new ATOM 0 HD22 LEU A 89 12.011 -4.081 8.463 1.00 0.00 H new ATOM 0 HD23 LEU A 89 11.554 -5.341 7.293 1.00 0.00 H new ATOM 1399 N GLU A 90 15.003 -7.246 8.970 1.00 0.00 N ATOM 1400 CA GLU A 90 16.282 -7.606 9.557 1.00 0.00 C ATOM 1401 C GLU A 90 16.949 -6.332 10.066 1.00 0.00 C ATOM 1402 O GLU A 90 16.411 -5.241 9.887 1.00 0.00 O ATOM 1403 CB GLU A 90 17.165 -8.308 8.516 1.00 0.00 C ATOM 1404 CG GLU A 90 18.322 -9.091 9.119 1.00 0.00 C ATOM 1405 CD GLU A 90 19.235 -9.690 8.071 1.00 0.00 C ATOM 1406 OE1 GLU A 90 18.767 -10.521 7.267 1.00 0.00 O ATOM 1407 OE2 GLU A 90 20.434 -9.343 8.056 1.00 0.00 O ATOM 0 H GLU A 90 15.037 -6.419 8.374 1.00 0.00 H new ATOM 0 HA GLU A 90 16.136 -8.299 10.386 1.00 0.00 H new ATOM 0 HB2 GLU A 90 16.547 -8.986 7.928 1.00 0.00 H new ATOM 0 HB3 GLU A 90 17.563 -7.562 7.828 1.00 0.00 H new ATOM 0 HG2 GLU A 90 18.902 -8.433 9.766 1.00 0.00 H new ATOM 0 HG3 GLU A 90 17.926 -9.888 9.748 1.00 0.00 H new ATOM 1414 N HIS A 91 18.097 -6.458 10.710 1.00 0.00 N ATOM 1415 CA HIS A 91 18.842 -5.286 11.153 1.00 0.00 C ATOM 1416 C HIS A 91 19.967 -4.990 10.176 1.00 0.00 C ATOM 1417 O HIS A 91 20.850 -5.820 9.971 1.00 0.00 O ATOM 1418 CB HIS A 91 19.414 -5.473 12.562 1.00 0.00 C ATOM 1419 CG HIS A 91 18.389 -5.395 13.653 1.00 0.00 C ATOM 1420 ND1 HIS A 91 17.941 -4.204 14.183 1.00 0.00 N ATOM 1421 CD2 HIS A 91 17.730 -6.368 14.323 1.00 0.00 C ATOM 1422 CE1 HIS A 91 17.057 -4.451 15.129 1.00 0.00 C ATOM 1423 NE2 HIS A 91 16.908 -5.756 15.239 1.00 0.00 N ATOM 0 H HIS A 91 18.533 -7.352 10.938 1.00 0.00 H new ATOM 0 HA HIS A 91 18.149 -4.445 11.185 1.00 0.00 H new ATOM 0 HB2 HIS A 91 19.913 -6.441 12.615 1.00 0.00 H new ATOM 0 HB3 HIS A 91 20.175 -4.713 12.738 1.00 0.00 H new ATOM 0 HD2 HIS A 91 17.831 -7.432 14.167 1.00 0.00 H new ATOM 0 HE1 HIS A 91 16.540 -3.707 15.717 1.00 0.00 H new ATOM 0 HE2 HIS A 91 16.287 -6.232 15.894 1.00 0.00 H new ATOM 1432 N HIS A 92 19.921 -3.814 9.569 1.00 0.00 N ATOM 1433 CA HIS A 92 20.944 -3.414 8.616 1.00 0.00 C ATOM 1434 C HIS A 92 22.233 -3.094 9.354 1.00 0.00 C ATOM 1435 O HIS A 92 22.286 -2.154 10.146 1.00 0.00 O ATOM 1436 CB HIS A 92 20.486 -2.200 7.796 1.00 0.00 C ATOM 1437 CG HIS A 92 21.480 -1.761 6.759 1.00 0.00 C ATOM 1438 ND1 HIS A 92 21.511 -2.272 5.481 1.00 0.00 N ATOM 1439 CD2 HIS A 92 22.488 -0.858 6.822 1.00 0.00 C ATOM 1440 CE1 HIS A 92 22.493 -1.706 4.806 1.00 0.00 C ATOM 1441 NE2 HIS A 92 23.105 -0.844 5.596 1.00 0.00 N ATOM 0 H HIS A 92 19.188 -3.121 9.719 1.00 0.00 H new ATOM 0 HA HIS A 92 21.118 -4.240 7.926 1.00 0.00 H new ATOM 0 HB2 HIS A 92 19.543 -2.440 7.304 1.00 0.00 H new ATOM 0 HB3 HIS A 92 20.290 -1.369 8.473 1.00 0.00 H new ATOM 0 HD1 HIS A 92 20.874 -2.978 5.113 1.00 0.00 H new ATOM 0 HD2 HIS A 92 22.757 -0.259 7.680 1.00 0.00 H new ATOM 0 HE1 HIS A 92 22.753 -1.913 3.778 1.00 0.00 H new