USER MOD reduce.3.24.130724 H: found=0, std=0, add=752, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 751 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 NoAdj-H: A 62 HIS HE2 : A 62 HIS NE2 : A 92 ZNZN :(H bumps) USER MOD Set 1.1: A 48 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 51 THR OG1 : rot -160:sc= 0.34 USER MOD Single : A 1 GLY N :NH3+ -140:sc= 0.0188 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 155:sc= -0.0453 (180deg=-0.399) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.194 USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.0981 USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ -156:sc= 1.3 (180deg=1.16) USER MOD Single : A 16 SER OG : rot 88:sc= 1.26 USER MOD Single : A 18 TYR OH : rot 180:sc= 0.097 USER MOD Single : A 24 ASN : amide:sc= -0.041 K(o=-0.041,f=-0.62) USER MOD Single : A 26 HIS : no HD1:sc= 0 X(o=0,f=-0.032) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= 0.757 K(o=0.76,f=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.462 K(o=-0.46,f=-7.7!) USER MOD Single : A 60 SER OG : rot 180:sc= -0.298 USER MOD Single : A 68 LYS NZ :NH3+ 163:sc= 0.422 (180deg=0.272) USER MOD Single : A 69 LYS NZ :NH3+ 148:sc= 1.24 (180deg=-0.513) USER MOD Single : A 79 THR OG1 : rot 46:sc= 1.15 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= 0.0552 K(o=0.055,f=-3.9!) USER MOD Single : A 85 LYS NZ :NH3+ 176:sc= 1.21 (180deg=1.02) USER MOD Single : A 91 LYS NZ :NH3+ -128:sc= 1.31 (180deg=-0.396) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.142 -10.456 4.395 1.00 0.00 N ATOM 2 CA GLY A 1 19.574 -10.616 3.036 1.00 0.00 C ATOM 3 C GLY A 1 18.159 -10.094 2.955 1.00 0.00 C ATOM 4 O GLY A 1 17.815 -9.118 3.623 1.00 0.00 O ATOM 0 H1 GLY A 1 21.137 -10.161 4.323 1.00 0.00 H new ATOM 0 H2 GLY A 1 19.603 -9.733 4.914 1.00 0.00 H new ATOM 0 H3 GLY A 1 20.085 -11.361 4.904 1.00 0.00 H new ATOM 0 HA2 GLY A 1 20.199 -10.087 2.316 1.00 0.00 H new ATOM 0 HA3 GLY A 1 19.589 -11.670 2.757 1.00 0.00 H new ATOM 10 N SER A 2 17.336 -10.739 2.142 1.00 0.00 N ATOM 11 CA SER A 2 15.947 -10.339 1.992 1.00 0.00 C ATOM 12 C SER A 2 15.095 -10.924 3.112 1.00 0.00 C ATOM 13 O SER A 2 15.053 -12.142 3.299 1.00 0.00 O ATOM 14 CB SER A 2 15.415 -10.793 0.635 1.00 0.00 C ATOM 15 OG SER A 2 16.441 -10.780 -0.346 1.00 0.00 O ATOM 0 H SER A 2 17.607 -11.543 1.576 1.00 0.00 H new ATOM 0 HA SER A 2 15.892 -9.252 2.050 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.002 -11.798 0.721 1.00 0.00 H new ATOM 0 HB3 SER A 2 14.601 -10.139 0.323 1.00 0.00 H new ATOM 0 HG SER A 2 16.075 -11.076 -1.206 1.00 0.00 H new ATOM 21 N MET A 3 14.435 -10.052 3.860 1.00 0.00 N ATOM 22 CA MET A 3 13.559 -10.474 4.944 1.00 0.00 C ATOM 23 C MET A 3 12.262 -11.053 4.378 1.00 0.00 C ATOM 24 O MET A 3 11.932 -10.810 3.217 1.00 0.00 O ATOM 25 CB MET A 3 13.245 -9.280 5.852 1.00 0.00 C ATOM 26 CG MET A 3 14.091 -9.229 7.114 1.00 0.00 C ATOM 27 SD MET A 3 15.155 -7.772 7.182 1.00 0.00 S ATOM 28 CE MET A 3 13.931 -6.462 7.224 1.00 0.00 C ATOM 0 H MET A 3 14.490 -9.041 3.735 1.00 0.00 H new ATOM 0 HA MET A 3 14.063 -11.245 5.527 1.00 0.00 H new ATOM 0 HB2 MET A 3 13.393 -8.359 5.289 1.00 0.00 H new ATOM 0 HB3 MET A 3 12.192 -9.316 6.133 1.00 0.00 H new ATOM 0 HG2 MET A 3 13.437 -9.237 7.986 1.00 0.00 H new ATOM 0 HG3 MET A 3 14.707 -10.126 7.170 1.00 0.00 H new ATOM 0 HE1 MET A 3 14.359 -5.579 7.698 1.00 0.00 H new ATOM 0 HE2 MET A 3 13.626 -6.216 6.207 1.00 0.00 H new ATOM 0 HE3 MET A 3 13.062 -6.794 7.793 1.00 0.00 H new ATOM 38 N PRO A 4 11.508 -11.833 5.180 1.00 0.00 N ATOM 39 CA PRO A 4 10.202 -12.377 4.769 1.00 0.00 C ATOM 40 C PRO A 4 9.121 -11.293 4.688 1.00 0.00 C ATOM 41 O PRO A 4 7.996 -11.469 5.161 1.00 0.00 O ATOM 42 CB PRO A 4 9.871 -13.383 5.875 1.00 0.00 C ATOM 43 CG PRO A 4 10.613 -12.893 7.068 1.00 0.00 C ATOM 44 CD PRO A 4 11.877 -12.269 6.541 1.00 0.00 C ATOM 0 HA PRO A 4 10.239 -12.818 3.773 1.00 0.00 H new ATOM 0 HB2 PRO A 4 8.798 -13.423 6.065 1.00 0.00 H new ATOM 0 HB3 PRO A 4 10.184 -14.390 5.600 1.00 0.00 H new ATOM 0 HG2 PRO A 4 10.021 -12.166 7.624 1.00 0.00 H new ATOM 0 HG3 PRO A 4 10.837 -13.712 7.752 1.00 0.00 H new ATOM 0 HD2 PRO A 4 12.197 -11.429 7.158 1.00 0.00 H new ATOM 0 HD3 PRO A 4 12.700 -12.984 6.524 1.00 0.00 H new ATOM 52 N THR A 5 9.491 -10.167 4.104 1.00 0.00 N ATOM 53 CA THR A 5 8.599 -9.038 3.916 1.00 0.00 C ATOM 54 C THR A 5 9.066 -8.241 2.705 1.00 0.00 C ATOM 55 O THR A 5 10.235 -7.877 2.616 1.00 0.00 O ATOM 56 CB THR A 5 8.574 -8.119 5.155 1.00 0.00 C ATOM 57 OG1 THR A 5 8.809 -8.887 6.344 1.00 0.00 O ATOM 58 CG2 THR A 5 7.238 -7.412 5.268 1.00 0.00 C ATOM 0 H THR A 5 10.432 -10.010 3.743 1.00 0.00 H new ATOM 0 HA THR A 5 7.589 -9.418 3.763 1.00 0.00 H new ATOM 0 HB THR A 5 9.361 -7.373 5.043 1.00 0.00 H new ATOM 0 HG1 THR A 5 8.793 -8.295 7.125 1.00 0.00 H new ATOM 0 HG21 THR A 5 7.240 -6.769 6.148 1.00 0.00 H new ATOM 0 HG22 THR A 5 7.070 -6.807 4.377 1.00 0.00 H new ATOM 0 HG23 THR A 5 6.442 -8.151 5.361 1.00 0.00 H new ATOM 66 N THR A 6 8.171 -8.008 1.760 1.00 0.00 N ATOM 67 CA THR A 6 8.540 -7.340 0.521 1.00 0.00 C ATOM 68 C THR A 6 7.379 -6.512 -0.022 1.00 0.00 C ATOM 69 O THR A 6 6.228 -6.956 0.002 1.00 0.00 O ATOM 70 CB THR A 6 8.975 -8.378 -0.538 1.00 0.00 C ATOM 71 OG1 THR A 6 9.942 -9.276 0.030 1.00 0.00 O ATOM 72 CG2 THR A 6 9.569 -7.707 -1.769 1.00 0.00 C ATOM 0 H THR A 6 7.187 -8.270 1.825 1.00 0.00 H new ATOM 0 HA THR A 6 9.373 -6.671 0.737 1.00 0.00 H new ATOM 0 HB THR A 6 8.088 -8.931 -0.847 1.00 0.00 H new ATOM 0 HG1 THR A 6 10.214 -9.933 -0.644 1.00 0.00 H new ATOM 0 HG21 THR A 6 9.863 -8.468 -2.492 1.00 0.00 H new ATOM 0 HG22 THR A 6 8.826 -7.048 -2.218 1.00 0.00 H new ATOM 0 HG23 THR A 6 10.443 -7.124 -1.479 1.00 0.00 H new ATOM 80 N CYS A 7 7.687 -5.296 -0.471 1.00 0.00 N ATOM 81 CA CYS A 7 6.706 -4.445 -1.127 1.00 0.00 C ATOM 82 C CYS A 7 6.160 -5.139 -2.368 1.00 0.00 C ATOM 83 O CYS A 7 6.915 -5.717 -3.159 1.00 0.00 O ATOM 84 CB CYS A 7 7.335 -3.101 -1.511 1.00 0.00 C ATOM 85 SG CYS A 7 6.145 -1.812 -2.018 1.00 0.00 S ATOM 0 H CYS A 7 8.615 -4.880 -0.390 1.00 0.00 H new ATOM 0 HA CYS A 7 5.886 -4.260 -0.433 1.00 0.00 H new ATOM 0 HB2 CYS A 7 7.911 -2.730 -0.663 1.00 0.00 H new ATOM 0 HB3 CYS A 7 8.039 -3.266 -2.326 1.00 0.00 H new ATOM 90 N GLY A 8 4.854 -5.071 -2.533 1.00 0.00 N ATOM 91 CA GLY A 8 4.215 -5.705 -3.665 1.00 0.00 C ATOM 92 C GLY A 8 4.169 -4.789 -4.863 1.00 0.00 C ATOM 93 O GLY A 8 3.603 -5.132 -5.899 1.00 0.00 O ATOM 0 H GLY A 8 4.218 -4.585 -1.900 1.00 0.00 H new ATOM 0 HA2 GLY A 8 4.754 -6.616 -3.924 1.00 0.00 H new ATOM 0 HA3 GLY A 8 3.202 -6.000 -3.393 1.00 0.00 H new ATOM 97 N PHE A 9 4.764 -3.616 -4.715 1.00 0.00 N ATOM 98 CA PHE A 9 4.810 -2.641 -5.780 1.00 0.00 C ATOM 99 C PHE A 9 5.703 -3.128 -6.916 1.00 0.00 C ATOM 100 O PHE A 9 6.767 -3.708 -6.673 1.00 0.00 O ATOM 101 CB PHE A 9 5.333 -1.317 -5.235 1.00 0.00 C ATOM 102 CG PHE A 9 4.353 -0.188 -5.361 1.00 0.00 C ATOM 103 CD1 PHE A 9 3.259 -0.108 -4.514 1.00 0.00 C ATOM 104 CD2 PHE A 9 4.524 0.792 -6.325 1.00 0.00 C ATOM 105 CE1 PHE A 9 2.354 0.928 -4.626 1.00 0.00 C ATOM 106 CE2 PHE A 9 3.622 1.832 -6.441 1.00 0.00 C ATOM 107 CZ PHE A 9 2.536 1.901 -5.591 1.00 0.00 C ATOM 0 H PHE A 9 5.225 -3.319 -3.855 1.00 0.00 H new ATOM 0 HA PHE A 9 3.803 -2.500 -6.173 1.00 0.00 H new ATOM 0 HB2 PHE A 9 5.595 -1.444 -4.185 1.00 0.00 H new ATOM 0 HB3 PHE A 9 6.249 -1.053 -5.763 1.00 0.00 H new ATOM 0 HD1 PHE A 9 3.113 -0.865 -3.758 1.00 0.00 H new ATOM 0 HD2 PHE A 9 5.371 0.743 -6.993 1.00 0.00 H new ATOM 0 HE1 PHE A 9 1.505 0.978 -3.961 1.00 0.00 H new ATOM 0 HE2 PHE A 9 3.766 2.591 -7.196 1.00 0.00 H new ATOM 0 HZ PHE A 9 1.830 2.714 -5.680 1.00 0.00 H new ATOM 117 N PRO A 10 5.281 -2.899 -8.171 1.00 0.00 N ATOM 118 CA PRO A 10 6.060 -3.279 -9.352 1.00 0.00 C ATOM 119 C PRO A 10 7.434 -2.634 -9.344 1.00 0.00 C ATOM 120 O PRO A 10 8.430 -3.236 -9.753 1.00 0.00 O ATOM 121 CB PRO A 10 5.228 -2.755 -10.529 1.00 0.00 C ATOM 122 CG PRO A 10 4.284 -1.767 -9.931 1.00 0.00 C ATOM 123 CD PRO A 10 4.011 -2.253 -8.539 1.00 0.00 C ATOM 0 HA PRO A 10 6.237 -4.354 -9.398 1.00 0.00 H new ATOM 0 HB2 PRO A 10 5.862 -2.288 -11.282 1.00 0.00 H new ATOM 0 HB3 PRO A 10 4.690 -3.565 -11.023 1.00 0.00 H new ATOM 0 HG2 PRO A 10 4.720 -0.768 -9.918 1.00 0.00 H new ATOM 0 HG3 PRO A 10 3.363 -1.705 -10.511 1.00 0.00 H new ATOM 0 HD2 PRO A 10 3.763 -1.433 -7.865 1.00 0.00 H new ATOM 0 HD3 PRO A 10 3.176 -2.954 -8.510 1.00 0.00 H new ATOM 131 N ASN A 11 7.464 -1.415 -8.852 1.00 0.00 N ATOM 132 CA ASN A 11 8.693 -0.653 -8.723 1.00 0.00 C ATOM 133 C ASN A 11 8.565 0.332 -7.573 1.00 0.00 C ATOM 134 O ASN A 11 8.174 1.486 -7.771 1.00 0.00 O ATOM 135 CB ASN A 11 9.014 0.093 -10.022 1.00 0.00 C ATOM 136 CG ASN A 11 10.491 0.406 -10.157 1.00 0.00 C ATOM 137 OD1 ASN A 11 10.965 1.451 -9.704 1.00 0.00 O ATOM 138 ND2 ASN A 11 11.227 -0.486 -10.794 1.00 0.00 N ATOM 0 H ASN A 11 6.634 -0.919 -8.528 1.00 0.00 H new ATOM 0 HA ASN A 11 9.510 -1.345 -8.519 1.00 0.00 H new ATOM 0 HB2 ASN A 11 8.693 -0.509 -10.872 1.00 0.00 H new ATOM 0 HB3 ASN A 11 8.444 1.021 -10.055 1.00 0.00 H new ATOM 0 HD21 ASN A 11 12.225 -0.323 -10.926 1.00 0.00 H new ATOM 0 HD22 ASN A 11 10.797 -1.338 -11.154 1.00 0.00 H new ATOM 145 N CYS A 12 8.854 -0.140 -6.369 1.00 0.00 N ATOM 146 CA CYS A 12 8.782 0.700 -5.186 1.00 0.00 C ATOM 147 C CYS A 12 9.887 1.744 -5.227 1.00 0.00 C ATOM 148 O CYS A 12 11.071 1.412 -5.277 1.00 0.00 O ATOM 149 CB CYS A 12 8.895 -0.144 -3.911 1.00 0.00 C ATOM 150 SG CYS A 12 8.861 0.821 -2.360 1.00 0.00 S ATOM 0 H CYS A 12 9.141 -1.102 -6.187 1.00 0.00 H new ATOM 0 HA CYS A 12 7.815 1.203 -5.175 1.00 0.00 H new ATOM 0 HB2 CYS A 12 8.078 -0.865 -3.894 1.00 0.00 H new ATOM 0 HB3 CYS A 12 9.823 -0.715 -3.949 1.00 0.00 H new ATOM 155 N LYS A 13 9.490 3.001 -5.212 1.00 0.00 N ATOM 156 CA LYS A 13 10.437 4.099 -5.282 1.00 0.00 C ATOM 157 C LYS A 13 10.934 4.474 -3.895 1.00 0.00 C ATOM 158 O LYS A 13 11.599 5.491 -3.720 1.00 0.00 O ATOM 159 CB LYS A 13 9.806 5.313 -5.962 1.00 0.00 C ATOM 160 CG LYS A 13 8.492 5.750 -5.340 1.00 0.00 C ATOM 161 CD LYS A 13 8.486 7.238 -5.041 1.00 0.00 C ATOM 162 CE LYS A 13 8.761 8.057 -6.292 1.00 0.00 C ATOM 163 NZ LYS A 13 9.296 9.402 -5.961 1.00 0.00 N ATOM 0 H LYS A 13 8.514 3.289 -5.152 1.00 0.00 H new ATOM 0 HA LYS A 13 11.289 3.770 -5.877 1.00 0.00 H new ATOM 0 HB2 LYS A 13 10.509 6.145 -5.925 1.00 0.00 H new ATOM 0 HB3 LYS A 13 9.640 5.083 -7.014 1.00 0.00 H new ATOM 0 HG2 LYS A 13 7.671 5.510 -6.016 1.00 0.00 H new ATOM 0 HG3 LYS A 13 8.321 5.192 -4.419 1.00 0.00 H new ATOM 0 HD2 LYS A 13 7.520 7.523 -4.623 1.00 0.00 H new ATOM 0 HD3 LYS A 13 9.239 7.462 -4.285 1.00 0.00 H new ATOM 0 HE2 LYS A 13 9.474 7.527 -6.924 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.841 8.163 -6.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 9.096 10.057 -6.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 8.844 9.751 -5.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 10.324 9.341 -5.816 1.00 0.00 H new ATOM 177 N PHE A 14 10.583 3.665 -2.906 1.00 0.00 N ATOM 178 CA PHE A 14 11.031 3.893 -1.543 1.00 0.00 C ATOM 179 C PHE A 14 12.057 2.840 -1.143 1.00 0.00 C ATOM 180 O PHE A 14 13.206 3.166 -0.844 1.00 0.00 O ATOM 181 CB PHE A 14 9.845 3.878 -0.579 1.00 0.00 C ATOM 182 CG PHE A 14 8.937 5.066 -0.737 1.00 0.00 C ATOM 183 CD1 PHE A 14 9.334 6.320 -0.301 1.00 0.00 C ATOM 184 CD2 PHE A 14 7.691 4.928 -1.325 1.00 0.00 C ATOM 185 CE1 PHE A 14 8.505 7.416 -0.454 1.00 0.00 C ATOM 186 CE2 PHE A 14 6.857 6.018 -1.479 1.00 0.00 C ATOM 187 CZ PHE A 14 7.265 7.264 -1.042 1.00 0.00 C ATOM 0 H PHE A 14 9.989 2.844 -3.024 1.00 0.00 H new ATOM 0 HA PHE A 14 11.501 4.875 -1.492 1.00 0.00 H new ATOM 0 HB2 PHE A 14 9.269 2.966 -0.736 1.00 0.00 H new ATOM 0 HB3 PHE A 14 10.218 3.848 0.445 1.00 0.00 H new ATOM 0 HD1 PHE A 14 10.301 6.443 0.163 1.00 0.00 H new ATOM 0 HD2 PHE A 14 7.367 3.956 -1.667 1.00 0.00 H new ATOM 0 HE1 PHE A 14 8.827 8.389 -0.114 1.00 0.00 H new ATOM 0 HE2 PHE A 14 5.888 5.897 -1.940 1.00 0.00 H new ATOM 0 HZ PHE A 14 6.615 8.118 -1.160 1.00 0.00 H new ATOM 197 N ARG A 15 11.644 1.577 -1.182 1.00 0.00 N ATOM 198 CA ARG A 15 12.506 0.464 -0.812 1.00 0.00 C ATOM 199 C ARG A 15 13.798 0.478 -1.625 1.00 0.00 C ATOM 200 O ARG A 15 14.900 0.381 -1.076 1.00 0.00 O ATOM 201 CB ARG A 15 11.759 -0.852 -1.046 1.00 0.00 C ATOM 202 CG ARG A 15 12.552 -2.084 -0.659 1.00 0.00 C ATOM 203 CD ARG A 15 12.724 -3.055 -1.826 1.00 0.00 C ATOM 204 NE ARG A 15 11.783 -2.808 -2.921 1.00 0.00 N ATOM 205 CZ ARG A 15 10.607 -3.427 -3.054 1.00 0.00 C ATOM 206 NH1 ARG A 15 10.222 -4.345 -2.178 1.00 0.00 N ATOM 207 NH2 ARG A 15 9.818 -3.137 -4.075 1.00 0.00 N ATOM 0 H ARG A 15 10.706 1.299 -1.470 1.00 0.00 H new ATOM 0 HA ARG A 15 12.768 0.560 0.242 1.00 0.00 H new ATOM 0 HB2 ARG A 15 10.829 -0.837 -0.478 1.00 0.00 H new ATOM 0 HB3 ARG A 15 11.488 -0.922 -2.099 1.00 0.00 H new ATOM 0 HG2 ARG A 15 13.533 -1.781 -0.294 1.00 0.00 H new ATOM 0 HG3 ARG A 15 12.049 -2.593 0.163 1.00 0.00 H new ATOM 0 HD2 ARG A 15 13.743 -2.980 -2.206 1.00 0.00 H new ATOM 0 HD3 ARG A 15 12.593 -4.075 -1.465 1.00 0.00 H new ATOM 0 HE ARG A 15 12.042 -2.119 -3.627 1.00 0.00 H new ATOM 0 HH11 ARG A 15 10.826 -4.585 -1.392 1.00 0.00 H new ATOM 0 HH12 ARG A 15 9.322 -4.811 -2.290 1.00 0.00 H new ATOM 0 HH21 ARG A 15 10.107 -2.440 -4.761 1.00 0.00 H new ATOM 0 HH22 ARG A 15 8.920 -3.610 -4.176 1.00 0.00 H new ATOM 221 N SER A 16 13.653 0.618 -2.932 1.00 0.00 N ATOM 222 CA SER A 16 14.786 0.580 -3.843 1.00 0.00 C ATOM 223 C SER A 16 15.596 1.877 -3.792 1.00 0.00 C ATOM 224 O SER A 16 16.774 1.896 -4.151 1.00 0.00 O ATOM 225 CB SER A 16 14.281 0.313 -5.259 1.00 0.00 C ATOM 226 OG SER A 16 13.029 -0.357 -5.215 1.00 0.00 O ATOM 0 H SER A 16 12.753 0.760 -3.390 1.00 0.00 H new ATOM 0 HA SER A 16 15.454 -0.224 -3.535 1.00 0.00 H new ATOM 0 HB2 SER A 16 14.179 1.254 -5.800 1.00 0.00 H new ATOM 0 HB3 SER A 16 15.006 -0.291 -5.804 1.00 0.00 H new ATOM 0 HG SER A 16 12.306 0.303 -5.172 1.00 0.00 H new ATOM 232 N ARG A 17 14.975 2.953 -3.322 1.00 0.00 N ATOM 233 CA ARG A 17 15.653 4.244 -3.249 1.00 0.00 C ATOM 234 C ARG A 17 16.466 4.361 -1.965 1.00 0.00 C ATOM 235 O ARG A 17 17.430 5.121 -1.901 1.00 0.00 O ATOM 236 CB ARG A 17 14.649 5.401 -3.357 1.00 0.00 C ATOM 237 CG ARG A 17 14.236 6.006 -2.022 1.00 0.00 C ATOM 238 CD ARG A 17 13.624 7.386 -2.193 1.00 0.00 C ATOM 239 NE ARG A 17 14.030 8.298 -1.128 1.00 0.00 N ATOM 240 CZ ARG A 17 13.182 8.997 -0.375 1.00 0.00 C ATOM 241 NH1 ARG A 17 11.873 8.937 -0.596 1.00 0.00 N ATOM 242 NH2 ARG A 17 13.641 9.770 0.596 1.00 0.00 N ATOM 0 H ARG A 17 14.011 2.959 -2.988 1.00 0.00 H new ATOM 0 HA ARG A 17 16.338 4.307 -4.095 1.00 0.00 H new ATOM 0 HB2 ARG A 17 15.083 6.185 -3.978 1.00 0.00 H new ATOM 0 HB3 ARG A 17 13.757 5.044 -3.871 1.00 0.00 H new ATOM 0 HG2 ARG A 17 13.518 5.348 -1.531 1.00 0.00 H new ATOM 0 HG3 ARG A 17 15.106 6.073 -1.368 1.00 0.00 H new ATOM 0 HD2 ARG A 17 13.922 7.798 -3.157 1.00 0.00 H new ATOM 0 HD3 ARG A 17 12.537 7.302 -2.204 1.00 0.00 H new ATOM 0 HE ARG A 17 15.028 8.407 -0.949 1.00 0.00 H new ATOM 0 HH11 ARG A 17 11.509 8.352 -1.348 1.00 0.00 H new ATOM 0 HH12 ARG A 17 11.232 9.476 -0.014 1.00 0.00 H new ATOM 0 HH21 ARG A 17 14.645 9.831 0.768 1.00 0.00 H new ATOM 0 HH22 ARG A 17 12.991 10.305 1.172 1.00 0.00 H new ATOM 256 N TYR A 18 16.085 3.597 -0.949 1.00 0.00 N ATOM 257 CA TYR A 18 16.785 3.641 0.322 1.00 0.00 C ATOM 258 C TYR A 18 18.069 2.831 0.235 1.00 0.00 C ATOM 259 O TYR A 18 19.030 3.098 0.954 1.00 0.00 O ATOM 260 CB TYR A 18 15.890 3.121 1.452 1.00 0.00 C ATOM 261 CG TYR A 18 15.121 4.221 2.154 1.00 0.00 C ATOM 262 CD1 TYR A 18 14.518 5.230 1.421 1.00 0.00 C ATOM 263 CD2 TYR A 18 15.013 4.262 3.541 1.00 0.00 C ATOM 264 CE1 TYR A 18 13.826 6.250 2.039 1.00 0.00 C ATOM 265 CE2 TYR A 18 14.322 5.286 4.170 1.00 0.00 C ATOM 266 CZ TYR A 18 13.732 6.279 3.410 1.00 0.00 C ATOM 267 OH TYR A 18 13.045 7.308 4.022 1.00 0.00 O ATOM 0 H TYR A 18 15.301 2.945 -0.982 1.00 0.00 H new ATOM 0 HA TYR A 18 17.040 4.677 0.546 1.00 0.00 H new ATOM 0 HB2 TYR A 18 15.185 2.396 1.045 1.00 0.00 H new ATOM 0 HB3 TYR A 18 16.505 2.593 2.181 1.00 0.00 H new ATOM 0 HD1 TYR A 18 14.591 5.217 0.344 1.00 0.00 H new ATOM 0 HD2 TYR A 18 15.473 3.486 4.135 1.00 0.00 H new ATOM 0 HE1 TYR A 18 13.359 7.024 1.448 1.00 0.00 H new ATOM 0 HE2 TYR A 18 14.245 5.308 5.247 1.00 0.00 H new ATOM 0 HH TYR A 18 13.069 7.184 4.994 1.00 0.00 H new ATOM 277 N ARG A 19 18.068 1.843 -0.663 1.00 0.00 N ATOM 278 CA ARG A 19 19.254 1.037 -0.955 1.00 0.00 C ATOM 279 C ARG A 19 19.751 0.283 0.276 1.00 0.00 C ATOM 280 O ARG A 19 20.910 -0.123 0.338 1.00 0.00 O ATOM 281 CB ARG A 19 20.371 1.917 -1.517 1.00 0.00 C ATOM 282 CG ARG A 19 20.566 1.755 -3.012 1.00 0.00 C ATOM 283 CD ARG A 19 19.839 2.840 -3.786 1.00 0.00 C ATOM 284 NE ARG A 19 20.446 3.078 -5.094 1.00 0.00 N ATOM 285 CZ ARG A 19 19.811 2.903 -6.251 1.00 0.00 C ATOM 286 NH1 ARG A 19 18.533 2.529 -6.260 1.00 0.00 N ATOM 287 NH2 ARG A 19 20.448 3.112 -7.397 1.00 0.00 N ATOM 0 H ARG A 19 17.246 1.580 -1.207 1.00 0.00 H new ATOM 0 HA ARG A 19 18.967 0.297 -1.702 1.00 0.00 H new ATOM 0 HB2 ARG A 19 20.147 2.961 -1.298 1.00 0.00 H new ATOM 0 HB3 ARG A 19 21.304 1.677 -1.008 1.00 0.00 H new ATOM 0 HG2 ARG A 19 21.630 1.789 -3.247 1.00 0.00 H new ATOM 0 HG3 ARG A 19 20.201 0.776 -3.324 1.00 0.00 H new ATOM 0 HD2 ARG A 19 18.795 2.555 -3.917 1.00 0.00 H new ATOM 0 HD3 ARG A 19 19.847 3.765 -3.209 1.00 0.00 H new ATOM 0 HE ARG A 19 21.414 3.397 -5.122 1.00 0.00 H new ATOM 0 HH11 ARG A 19 18.040 2.376 -5.380 1.00 0.00 H new ATOM 0 HH12 ARG A 19 18.047 2.395 -7.147 1.00 0.00 H new ATOM 0 HH21 ARG A 19 21.424 3.407 -7.391 1.00 0.00 H new ATOM 0 HH22 ARG A 19 19.961 2.978 -8.283 1.00 0.00 H new ATOM 301 N GLY A 20 18.868 0.096 1.245 1.00 0.00 N ATOM 302 CA GLY A 20 19.226 -0.626 2.443 1.00 0.00 C ATOM 303 C GLY A 20 18.591 -1.994 2.479 1.00 0.00 C ATOM 304 O GLY A 20 18.840 -2.826 1.607 1.00 0.00 O ATOM 0 H GLY A 20 17.906 0.434 1.221 1.00 0.00 H new ATOM 0 HA2 GLY A 20 20.310 -0.726 2.498 1.00 0.00 H new ATOM 0 HA3 GLY A 20 18.914 -0.056 3.318 1.00 0.00 H new ATOM 308 N LEU A 21 17.735 -2.212 3.459 1.00 0.00 N ATOM 309 CA LEU A 21 17.098 -3.505 3.642 1.00 0.00 C ATOM 310 C LEU A 21 15.585 -3.345 3.668 1.00 0.00 C ATOM 311 O LEU A 21 14.990 -3.189 4.735 1.00 0.00 O ATOM 312 CB LEU A 21 17.584 -4.164 4.939 1.00 0.00 C ATOM 313 CG LEU A 21 18.088 -3.196 6.010 1.00 0.00 C ATOM 314 CD1 LEU A 21 17.313 -3.377 7.304 1.00 0.00 C ATOM 315 CD2 LEU A 21 19.577 -3.389 6.247 1.00 0.00 C ATOM 0 H LEU A 21 17.463 -1.507 4.145 1.00 0.00 H new ATOM 0 HA LEU A 21 17.370 -4.148 2.805 1.00 0.00 H new ATOM 0 HB2 LEU A 21 16.767 -4.751 5.358 1.00 0.00 H new ATOM 0 HB3 LEU A 21 18.386 -4.861 4.696 1.00 0.00 H new ATOM 0 HG LEU A 21 17.926 -2.178 5.654 1.00 0.00 H new ATOM 0 HD11 LEU A 21 17.687 -2.679 8.053 1.00 0.00 H new ATOM 0 HD12 LEU A 21 16.255 -3.184 7.125 1.00 0.00 H new ATOM 0 HD13 LEU A 21 17.440 -4.398 7.664 1.00 0.00 H new ATOM 0 HD21 LEU A 21 19.917 -2.691 7.012 1.00 0.00 H new ATOM 0 HD22 LEU A 21 19.763 -4.410 6.579 1.00 0.00 H new ATOM 0 HD23 LEU A 21 20.120 -3.204 5.320 1.00 0.00 H new ATOM 327 N GLU A 22 14.978 -3.348 2.481 1.00 0.00 N ATOM 328 CA GLU A 22 13.527 -3.256 2.347 1.00 0.00 C ATOM 329 C GLU A 22 13.005 -1.957 2.949 1.00 0.00 C ATOM 330 O GLU A 22 11.961 -1.939 3.600 1.00 0.00 O ATOM 331 CB GLU A 22 12.857 -4.466 3.005 1.00 0.00 C ATOM 332 CG GLU A 22 11.736 -5.068 2.177 1.00 0.00 C ATOM 333 CD GLU A 22 12.165 -5.434 0.768 1.00 0.00 C ATOM 334 OE1 GLU A 22 13.373 -5.627 0.532 1.00 0.00 O ATOM 335 OE2 GLU A 22 11.293 -5.523 -0.118 1.00 0.00 O ATOM 0 H GLU A 22 15.475 -3.414 1.593 1.00 0.00 H new ATOM 0 HA GLU A 22 13.279 -3.255 1.286 1.00 0.00 H new ATOM 0 HB2 GLU A 22 13.611 -5.231 3.191 1.00 0.00 H new ATOM 0 HB3 GLU A 22 12.460 -4.167 3.975 1.00 0.00 H new ATOM 0 HG2 GLU A 22 11.361 -5.960 2.679 1.00 0.00 H new ATOM 0 HG3 GLU A 22 10.910 -4.359 2.126 1.00 0.00 H new ATOM 342 N ASP A 23 13.768 -0.881 2.734 1.00 0.00 N ATOM 343 CA ASP A 23 13.437 0.466 3.226 1.00 0.00 C ATOM 344 C ASP A 23 13.595 0.573 4.744 1.00 0.00 C ATOM 345 O ASP A 23 14.122 1.572 5.237 1.00 0.00 O ATOM 346 CB ASP A 23 12.019 0.883 2.810 1.00 0.00 C ATOM 347 CG ASP A 23 11.712 2.328 3.163 1.00 0.00 C ATOM 348 OD1 ASP A 23 11.465 2.613 4.351 1.00 0.00 O ATOM 349 OD2 ASP A 23 11.708 3.185 2.255 1.00 0.00 O ATOM 0 H ASP A 23 14.642 -0.918 2.209 1.00 0.00 H new ATOM 0 HA ASP A 23 14.148 1.151 2.764 1.00 0.00 H new ATOM 0 HB2 ASP A 23 11.903 0.742 1.735 1.00 0.00 H new ATOM 0 HB3 ASP A 23 11.294 0.231 3.297 1.00 0.00 H new ATOM 354 N ASN A 24 13.154 -0.471 5.461 1.00 0.00 N ATOM 355 CA ASN A 24 13.179 -0.526 6.932 1.00 0.00 C ATOM 356 C ASN A 24 11.961 0.191 7.509 1.00 0.00 C ATOM 357 O ASN A 24 11.980 0.669 8.644 1.00 0.00 O ATOM 358 CB ASN A 24 14.473 0.071 7.510 1.00 0.00 C ATOM 359 CG ASN A 24 14.999 -0.686 8.715 1.00 0.00 C ATOM 360 OD1 ASN A 24 14.262 -1.395 9.403 1.00 0.00 O ATOM 361 ND2 ASN A 24 16.286 -0.534 8.982 1.00 0.00 N ATOM 0 H ASN A 24 12.765 -1.311 5.032 1.00 0.00 H new ATOM 0 HA ASN A 24 13.148 -1.577 7.220 1.00 0.00 H new ATOM 0 HB2 ASN A 24 15.238 0.081 6.734 1.00 0.00 H new ATOM 0 HB3 ASN A 24 14.292 1.108 7.792 1.00 0.00 H new ATOM 0 HD21 ASN A 24 16.701 -1.013 9.781 1.00 0.00 H new ATOM 0 HD22 ASN A 24 16.863 0.062 8.388 1.00 0.00 H new ATOM 368 N ARG A 25 10.900 0.254 6.716 1.00 0.00 N ATOM 369 CA ARG A 25 9.657 0.887 7.139 1.00 0.00 C ATOM 370 C ARG A 25 8.653 -0.157 7.623 1.00 0.00 C ATOM 371 O ARG A 25 8.993 -1.328 7.799 1.00 0.00 O ATOM 372 CB ARG A 25 9.051 1.696 5.987 1.00 0.00 C ATOM 373 CG ARG A 25 8.431 3.010 6.428 1.00 0.00 C ATOM 374 CD ARG A 25 8.124 3.914 5.250 1.00 0.00 C ATOM 375 NE ARG A 25 9.294 4.154 4.419 1.00 0.00 N ATOM 376 CZ ARG A 25 9.786 5.356 4.152 1.00 0.00 C ATOM 377 NH1 ARG A 25 9.221 6.447 4.667 1.00 0.00 N ATOM 378 NH2 ARG A 25 10.844 5.462 3.368 1.00 0.00 N ATOM 0 H ARG A 25 10.875 -0.128 5.771 1.00 0.00 H new ATOM 0 HA ARG A 25 9.885 1.560 7.966 1.00 0.00 H new ATOM 0 HB2 ARG A 25 9.827 1.899 5.249 1.00 0.00 H new ATOM 0 HB3 ARG A 25 8.290 1.093 5.491 1.00 0.00 H new ATOM 0 HG2 ARG A 25 7.513 2.811 6.981 1.00 0.00 H new ATOM 0 HG3 ARG A 25 9.110 3.521 7.110 1.00 0.00 H new ATOM 0 HD2 ARG A 25 7.337 3.464 4.645 1.00 0.00 H new ATOM 0 HD3 ARG A 25 7.739 4.866 5.616 1.00 0.00 H new ATOM 0 HE ARG A 25 9.766 3.345 4.016 1.00 0.00 H new ATOM 0 HH11 ARG A 25 8.404 6.361 5.272 1.00 0.00 H new ATOM 0 HH12 ARG A 25 9.606 7.368 4.457 1.00 0.00 H new ATOM 0 HH21 ARG A 25 11.274 4.624 2.975 1.00 0.00 H new ATOM 0 HH22 ARG A 25 11.231 6.381 3.156 1.00 0.00 H new ATOM 392 N HIS A 26 7.422 0.280 7.853 1.00 0.00 N ATOM 393 CA HIS A 26 6.347 -0.619 8.232 1.00 0.00 C ATOM 394 C HIS A 26 5.668 -1.152 6.982 1.00 0.00 C ATOM 395 O HIS A 26 5.309 -0.388 6.086 1.00 0.00 O ATOM 396 CB HIS A 26 5.326 0.102 9.116 1.00 0.00 C ATOM 397 CG HIS A 26 4.678 -0.778 10.146 1.00 0.00 C ATOM 398 ND1 HIS A 26 4.698 -0.452 11.483 1.00 0.00 N ATOM 399 CD2 HIS A 26 4.005 -1.944 9.987 1.00 0.00 C ATOM 400 CE1 HIS A 26 4.036 -1.419 12.102 1.00 0.00 C ATOM 401 NE2 HIS A 26 3.599 -2.342 11.236 1.00 0.00 N ATOM 0 H HIS A 26 7.145 1.259 7.782 1.00 0.00 H new ATOM 0 HA HIS A 26 6.766 -1.449 8.801 1.00 0.00 H new ATOM 0 HB2 HIS A 26 5.820 0.932 9.621 1.00 0.00 H new ATOM 0 HB3 HIS A 26 4.551 0.532 8.481 1.00 0.00 H new ATOM 0 HD2 HIS A 26 3.823 -2.461 9.056 1.00 0.00 H new ATOM 0 HE1 HIS A 26 3.870 -1.458 13.169 1.00 0.00 H new ATOM 0 HE2 HIS A 26 3.066 -3.182 11.462 1.00 0.00 H new ATOM 409 N PHE A 27 5.502 -2.457 6.918 1.00 0.00 N ATOM 410 CA PHE A 27 4.861 -3.075 5.774 1.00 0.00 C ATOM 411 C PHE A 27 3.436 -3.468 6.115 1.00 0.00 C ATOM 412 O PHE A 27 3.204 -4.417 6.865 1.00 0.00 O ATOM 413 CB PHE A 27 5.655 -4.292 5.315 1.00 0.00 C ATOM 414 CG PHE A 27 6.800 -3.939 4.413 1.00 0.00 C ATOM 415 CD1 PHE A 27 6.586 -3.701 3.064 1.00 0.00 C ATOM 416 CD2 PHE A 27 8.089 -3.844 4.912 1.00 0.00 C ATOM 417 CE1 PHE A 27 7.637 -3.373 2.232 1.00 0.00 C ATOM 418 CE2 PHE A 27 9.142 -3.516 4.083 1.00 0.00 C ATOM 419 CZ PHE A 27 8.915 -3.282 2.741 1.00 0.00 C ATOM 0 H PHE A 27 5.801 -3.110 7.643 1.00 0.00 H new ATOM 0 HA PHE A 27 4.834 -2.352 4.958 1.00 0.00 H new ATOM 0 HB2 PHE A 27 6.037 -4.820 6.189 1.00 0.00 H new ATOM 0 HB3 PHE A 27 4.988 -4.979 4.794 1.00 0.00 H new ATOM 0 HD1 PHE A 27 5.587 -3.773 2.660 1.00 0.00 H new ATOM 0 HD2 PHE A 27 8.271 -4.029 5.960 1.00 0.00 H new ATOM 0 HE1 PHE A 27 7.459 -3.188 1.183 1.00 0.00 H new ATOM 0 HE2 PHE A 27 10.142 -3.442 4.483 1.00 0.00 H new ATOM 0 HZ PHE A 27 9.739 -3.028 2.090 1.00 0.00 H new ATOM 429 N TYR A 28 2.486 -2.744 5.552 1.00 0.00 N ATOM 430 CA TYR A 28 1.084 -2.964 5.856 1.00 0.00 C ATOM 431 C TYR A 28 0.550 -4.167 5.103 1.00 0.00 C ATOM 432 O TYR A 28 1.099 -4.569 4.073 1.00 0.00 O ATOM 433 CB TYR A 28 0.247 -1.741 5.481 1.00 0.00 C ATOM 434 CG TYR A 28 0.488 -0.529 6.351 1.00 0.00 C ATOM 435 CD1 TYR A 28 1.085 -0.647 7.598 1.00 0.00 C ATOM 436 CD2 TYR A 28 0.118 0.737 5.919 1.00 0.00 C ATOM 437 CE1 TYR A 28 1.310 0.461 8.388 1.00 0.00 C ATOM 438 CE2 TYR A 28 0.337 1.850 6.702 1.00 0.00 C ATOM 439 CZ TYR A 28 0.933 1.709 7.936 1.00 0.00 C ATOM 440 OH TYR A 28 1.163 2.818 8.712 1.00 0.00 O ATOM 0 H TYR A 28 2.661 -1.997 4.880 1.00 0.00 H new ATOM 0 HA TYR A 28 1.009 -3.142 6.929 1.00 0.00 H new ATOM 0 HB2 TYR A 28 0.456 -1.477 4.445 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -0.808 -2.008 5.535 1.00 0.00 H new ATOM 0 HD1 TYR A 28 1.378 -1.623 7.956 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -0.350 0.852 4.952 1.00 0.00 H new ATOM 0 HE1 TYR A 28 1.779 0.352 9.355 1.00 0.00 H new ATOM 0 HE2 TYR A 28 0.043 2.828 6.350 1.00 0.00 H new ATOM 0 HH TYR A 28 0.838 3.617 8.246 1.00 0.00 H new ATOM 450 N ARG A 29 -0.521 -4.736 5.623 1.00 0.00 N ATOM 451 CA ARG A 29 -1.209 -5.818 4.958 1.00 0.00 C ATOM 452 C ARG A 29 -2.377 -5.260 4.158 1.00 0.00 C ATOM 453 O ARG A 29 -2.943 -4.224 4.516 1.00 0.00 O ATOM 454 CB ARG A 29 -1.701 -6.842 5.979 1.00 0.00 C ATOM 455 CG ARG A 29 -1.114 -8.227 5.774 1.00 0.00 C ATOM 456 CD ARG A 29 -1.641 -8.861 4.500 1.00 0.00 C ATOM 457 NE ARG A 29 -2.891 -9.585 4.728 1.00 0.00 N ATOM 458 CZ ARG A 29 -3.091 -10.868 4.419 1.00 0.00 C ATOM 459 NH1 ARG A 29 -2.138 -11.581 3.827 1.00 0.00 N ATOM 460 NH2 ARG A 29 -4.257 -11.433 4.702 1.00 0.00 N ATOM 0 H ARG A 29 -0.934 -4.461 6.514 1.00 0.00 H new ATOM 0 HA ARG A 29 -0.519 -6.319 4.279 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -1.451 -6.494 6.981 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.788 -6.904 5.925 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -0.027 -8.161 5.728 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -1.360 -8.859 6.627 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -1.801 -8.087 3.749 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -0.893 -9.545 4.099 1.00 0.00 H new ATOM 0 HE ARG A 29 -3.664 -9.074 5.153 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -1.242 -11.148 3.604 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -2.303 -12.561 3.596 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -4.992 -10.888 5.152 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -4.419 -12.413 4.469 1.00 0.00 H new ATOM 474 N ILE A 30 -2.719 -5.935 3.070 1.00 0.00 N ATOM 475 CA ILE A 30 -3.812 -5.498 2.214 1.00 0.00 C ATOM 476 C ILE A 30 -5.149 -5.650 2.927 1.00 0.00 C ATOM 477 O ILE A 30 -5.508 -6.744 3.369 1.00 0.00 O ATOM 478 CB ILE A 30 -3.857 -6.287 0.886 1.00 0.00 C ATOM 479 CG1 ILE A 30 -2.444 -6.640 0.423 1.00 0.00 C ATOM 480 CG2 ILE A 30 -4.583 -5.487 -0.187 1.00 0.00 C ATOM 481 CD1 ILE A 30 -2.202 -8.127 0.321 1.00 0.00 C ATOM 0 H ILE A 30 -2.255 -6.788 2.759 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.632 -4.447 1.987 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.406 -7.213 1.057 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.263 -6.182 -0.549 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.723 -6.209 1.118 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.605 -6.059 -1.115 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.603 -5.284 0.138 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.061 -4.545 -0.354 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.180 -8.307 -0.013 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.352 -8.588 1.297 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.899 -8.561 -0.396 1.00 0.00 H new ATOM 493 N PRO A 31 -5.884 -4.538 3.071 1.00 0.00 N ATOM 494 CA PRO A 31 -7.207 -4.530 3.694 1.00 0.00 C ATOM 495 C PRO A 31 -8.193 -5.435 2.969 1.00 0.00 C ATOM 496 O PRO A 31 -8.116 -5.616 1.755 1.00 0.00 O ATOM 497 CB PRO A 31 -7.654 -3.065 3.580 1.00 0.00 C ATOM 498 CG PRO A 31 -6.397 -2.292 3.409 1.00 0.00 C ATOM 499 CD PRO A 31 -5.470 -3.192 2.649 1.00 0.00 C ATOM 0 HA PRO A 31 -7.171 -4.901 4.718 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -8.324 -2.922 2.732 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -8.195 -2.747 4.471 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -6.578 -1.365 2.864 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -5.972 -2.016 4.374 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -5.573 -3.059 1.572 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -4.427 -2.996 2.896 1.00 0.00 H new ATOM 507 N LYS A 32 -9.112 -6.008 3.723 1.00 0.00 N ATOM 508 CA LYS A 32 -10.173 -6.820 3.156 1.00 0.00 C ATOM 509 C LYS A 32 -11.512 -6.215 3.535 1.00 0.00 C ATOM 510 O LYS A 32 -12.569 -6.817 3.345 1.00 0.00 O ATOM 511 CB LYS A 32 -10.073 -8.265 3.656 1.00 0.00 C ATOM 512 CG LYS A 32 -10.215 -9.304 2.554 1.00 0.00 C ATOM 513 CD LYS A 32 -11.290 -10.327 2.886 1.00 0.00 C ATOM 514 CE LYS A 32 -12.627 -9.943 2.273 1.00 0.00 C ATOM 515 NZ LYS A 32 -13.770 -10.528 3.018 1.00 0.00 N ATOM 0 H LYS A 32 -9.145 -5.925 4.739 1.00 0.00 H new ATOM 0 HA LYS A 32 -10.076 -6.837 2.070 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -9.112 -8.403 4.152 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -10.846 -8.435 4.406 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -10.461 -8.808 1.615 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.262 -9.812 2.406 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -10.987 -11.308 2.519 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -11.394 -10.410 3.968 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -12.721 -8.857 2.260 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -12.660 -10.279 1.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -14.662 -10.241 2.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -13.696 -11.565 3.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -13.754 -10.188 4.001 1.00 0.00 H new ATOM 529 N ARG A 33 -11.437 -5.010 4.068 1.00 0.00 N ATOM 530 CA ARG A 33 -12.602 -4.277 4.527 1.00 0.00 C ATOM 531 C ARG A 33 -12.267 -2.791 4.607 1.00 0.00 C ATOM 532 O ARG A 33 -11.337 -2.399 5.311 1.00 0.00 O ATOM 533 CB ARG A 33 -13.047 -4.800 5.898 1.00 0.00 C ATOM 534 CG ARG A 33 -14.259 -4.088 6.473 1.00 0.00 C ATOM 535 CD ARG A 33 -13.862 -3.090 7.550 1.00 0.00 C ATOM 536 NE ARG A 33 -13.427 -3.749 8.781 1.00 0.00 N ATOM 537 CZ ARG A 33 -13.784 -3.350 10.002 1.00 0.00 C ATOM 538 NH1 ARG A 33 -14.563 -2.285 10.156 1.00 0.00 N ATOM 539 NH2 ARG A 33 -13.349 -4.007 11.070 1.00 0.00 N ATOM 0 H ARG A 33 -10.558 -4.508 4.196 1.00 0.00 H new ATOM 0 HA ARG A 33 -13.421 -4.420 3.822 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -13.271 -5.863 5.813 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -12.217 -4.703 6.598 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -14.791 -3.570 5.675 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -14.948 -4.821 6.892 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -13.058 -2.455 7.176 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -14.708 -2.438 7.768 1.00 0.00 H new ATOM 0 HE ARG A 33 -12.815 -4.561 8.701 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -14.890 -1.770 9.339 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -14.834 -1.983 11.092 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -12.741 -4.818 10.957 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -13.623 -3.701 12.004 1.00 0.00 H new ATOM 553 N PRO A 34 -13.006 -1.945 3.874 1.00 0.00 N ATOM 554 CA PRO A 34 -14.083 -2.392 2.986 1.00 0.00 C ATOM 555 C PRO A 34 -13.560 -3.057 1.712 1.00 0.00 C ATOM 556 O PRO A 34 -12.405 -2.862 1.321 1.00 0.00 O ATOM 557 CB PRO A 34 -14.829 -1.100 2.656 1.00 0.00 C ATOM 558 CG PRO A 34 -13.817 -0.016 2.809 1.00 0.00 C ATOM 559 CD PRO A 34 -12.857 -0.478 3.873 1.00 0.00 C ATOM 0 HA PRO A 34 -14.708 -3.152 3.456 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -15.230 -1.124 1.643 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -15.673 -0.949 3.329 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -13.297 0.165 1.869 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -14.293 0.922 3.096 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -11.834 -0.181 3.644 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -13.103 -0.051 4.845 1.00 0.00 H new ATOM 567 N LEU A 35 -14.419 -3.844 1.073 1.00 0.00 N ATOM 568 CA LEU A 35 -14.056 -4.574 -0.141 1.00 0.00 C ATOM 569 C LEU A 35 -13.616 -3.623 -1.245 1.00 0.00 C ATOM 570 O LEU A 35 -12.634 -3.881 -1.943 1.00 0.00 O ATOM 571 CB LEU A 35 -15.241 -5.411 -0.633 1.00 0.00 C ATOM 572 CG LEU A 35 -14.981 -6.915 -0.759 1.00 0.00 C ATOM 573 CD1 LEU A 35 -13.881 -7.189 -1.774 1.00 0.00 C ATOM 574 CD2 LEU A 35 -14.622 -7.509 0.594 1.00 0.00 C ATOM 0 H LEU A 35 -15.381 -3.995 1.378 1.00 0.00 H new ATOM 0 HA LEU A 35 -13.222 -5.231 0.105 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -16.077 -5.261 0.050 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -15.552 -5.031 -1.606 1.00 0.00 H new ATOM 0 HG LEU A 35 -15.895 -7.392 -1.112 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -13.713 -8.263 -1.847 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -14.180 -6.801 -2.748 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -12.961 -6.699 -1.455 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -14.441 -8.578 0.485 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -13.723 -7.026 0.977 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -15.445 -7.350 1.291 1.00 0.00 H new ATOM 586 N ILE A 36 -14.334 -2.516 -1.389 1.00 0.00 N ATOM 587 CA ILE A 36 -14.037 -1.551 -2.436 1.00 0.00 C ATOM 588 C ILE A 36 -12.683 -0.877 -2.196 1.00 0.00 C ATOM 589 O ILE A 36 -12.033 -0.416 -3.134 1.00 0.00 O ATOM 590 CB ILE A 36 -15.166 -0.498 -2.571 1.00 0.00 C ATOM 591 CG1 ILE A 36 -15.475 -0.255 -4.049 1.00 0.00 C ATOM 592 CG2 ILE A 36 -14.810 0.810 -1.872 1.00 0.00 C ATOM 593 CD1 ILE A 36 -15.696 -1.530 -4.838 1.00 0.00 C ATOM 0 H ILE A 36 -15.124 -2.266 -0.794 1.00 0.00 H new ATOM 0 HA ILE A 36 -13.979 -2.096 -3.378 1.00 0.00 H new ATOM 0 HB ILE A 36 -16.055 -0.892 -2.079 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -16.364 0.371 -4.128 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -14.652 0.302 -4.497 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -15.628 1.520 -1.991 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -14.644 0.622 -0.811 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -13.903 1.224 -2.314 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -15.910 -1.282 -5.878 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -14.799 -2.148 -4.790 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -16.538 -2.078 -4.415 1.00 0.00 H new ATOM 605 N LEU A 37 -12.255 -0.847 -0.938 1.00 0.00 N ATOM 606 CA LEU A 37 -10.947 -0.311 -0.594 1.00 0.00 C ATOM 607 C LEU A 37 -9.867 -1.256 -1.093 1.00 0.00 C ATOM 608 O LEU A 37 -8.892 -0.832 -1.707 1.00 0.00 O ATOM 609 CB LEU A 37 -10.826 -0.114 0.919 1.00 0.00 C ATOM 610 CG LEU A 37 -9.404 0.105 1.439 1.00 0.00 C ATOM 611 CD1 LEU A 37 -8.955 1.539 1.203 1.00 0.00 C ATOM 612 CD2 LEU A 37 -9.325 -0.242 2.914 1.00 0.00 C ATOM 0 H LEU A 37 -12.795 -1.187 -0.143 1.00 0.00 H new ATOM 0 HA LEU A 37 -10.824 0.661 -1.072 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -11.436 0.742 1.207 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -11.247 -0.987 1.417 1.00 0.00 H new ATOM 0 HG LEU A 37 -8.732 -0.554 0.889 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -7.941 1.670 1.581 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -8.975 1.755 0.135 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -9.627 2.221 1.724 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.308 -0.082 3.271 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -10.011 0.393 3.474 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -9.599 -1.287 3.057 1.00 0.00 H new ATOM 624 N ARG A 38 -10.071 -2.546 -0.849 1.00 0.00 N ATOM 625 CA ARG A 38 -9.135 -3.567 -1.297 1.00 0.00 C ATOM 626 C ARG A 38 -9.041 -3.571 -2.818 1.00 0.00 C ATOM 627 O ARG A 38 -7.957 -3.702 -3.378 1.00 0.00 O ATOM 628 CB ARG A 38 -9.560 -4.946 -0.782 1.00 0.00 C ATOM 629 CG ARG A 38 -8.775 -6.093 -1.400 1.00 0.00 C ATOM 630 CD ARG A 38 -9.368 -7.440 -1.034 1.00 0.00 C ATOM 631 NE ARG A 38 -10.079 -8.047 -2.157 1.00 0.00 N ATOM 632 CZ ARG A 38 -10.408 -9.336 -2.223 1.00 0.00 C ATOM 633 NH1 ARG A 38 -10.077 -10.168 -1.245 1.00 0.00 N ATOM 634 NH2 ARG A 38 -11.064 -9.795 -3.275 1.00 0.00 N ATOM 0 H ARG A 38 -10.879 -2.909 -0.342 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.150 -3.336 -0.891 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -9.438 -4.974 0.301 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -10.621 -5.090 -0.987 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -8.763 -5.983 -2.484 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -7.739 -6.048 -1.064 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -8.573 -8.109 -0.704 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -10.052 -7.319 -0.194 1.00 0.00 H new ATOM 0 HE ARG A 38 -10.340 -7.446 -2.939 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -9.566 -9.823 -0.433 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -10.334 -11.153 -1.305 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -11.317 -9.162 -4.034 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -11.317 -10.782 -3.328 1.00 0.00 H new ATOM 648 N GLN A 39 -10.181 -3.408 -3.477 1.00 0.00 N ATOM 649 CA GLN A 39 -10.224 -3.360 -4.932 1.00 0.00 C ATOM 650 C GLN A 39 -9.442 -2.161 -5.463 1.00 0.00 C ATOM 651 O GLN A 39 -8.805 -2.235 -6.513 1.00 0.00 O ATOM 652 CB GLN A 39 -11.671 -3.287 -5.415 1.00 0.00 C ATOM 653 CG GLN A 39 -11.992 -4.277 -6.520 1.00 0.00 C ATOM 654 CD GLN A 39 -13.324 -4.966 -6.311 1.00 0.00 C ATOM 655 OE1 GLN A 39 -14.376 -4.430 -6.658 1.00 0.00 O ATOM 656 NE2 GLN A 39 -13.290 -6.156 -5.735 1.00 0.00 N ATOM 0 H GLN A 39 -11.090 -3.307 -3.025 1.00 0.00 H new ATOM 0 HA GLN A 39 -9.762 -4.271 -5.313 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -12.337 -3.468 -4.571 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -11.876 -2.278 -5.772 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -12.002 -3.757 -7.478 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -11.203 -5.027 -6.572 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -12.396 -6.565 -5.462 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -14.157 -6.664 -5.563 1.00 0.00 H new ATOM 665 N ARG A 40 -9.491 -1.055 -4.731 1.00 0.00 N ATOM 666 CA ARG A 40 -8.772 0.149 -5.118 1.00 0.00 C ATOM 667 C ARG A 40 -7.284 0.010 -4.810 1.00 0.00 C ATOM 668 O ARG A 40 -6.441 0.596 -5.490 1.00 0.00 O ATOM 669 CB ARG A 40 -9.345 1.367 -4.390 1.00 0.00 C ATOM 670 CG ARG A 40 -10.555 1.974 -5.075 1.00 0.00 C ATOM 671 CD ARG A 40 -10.203 3.284 -5.761 1.00 0.00 C ATOM 672 NE ARG A 40 -11.344 3.856 -6.470 1.00 0.00 N ATOM 673 CZ ARG A 40 -12.027 4.921 -6.049 1.00 0.00 C ATOM 674 NH1 ARG A 40 -11.675 5.543 -4.933 1.00 0.00 N ATOM 675 NH2 ARG A 40 -13.054 5.365 -6.756 1.00 0.00 N ATOM 0 H ARG A 40 -10.023 -0.968 -3.865 1.00 0.00 H new ATOM 0 HA ARG A 40 -8.893 0.289 -6.192 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -9.620 1.077 -3.376 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -8.568 2.127 -4.304 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -10.950 1.272 -5.809 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -11.343 2.146 -4.341 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -9.844 3.997 -5.018 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -9.387 3.117 -6.464 1.00 0.00 H new ATOM 0 HE ARG A 40 -11.637 3.414 -7.341 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -10.878 5.207 -4.392 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -12.201 6.357 -4.615 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -13.321 4.893 -7.620 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -13.579 6.179 -6.437 1.00 0.00 H new ATOM 689 N TRP A 41 -6.971 -0.781 -3.789 1.00 0.00 N ATOM 690 CA TRP A 41 -5.593 -0.998 -3.364 1.00 0.00 C ATOM 691 C TRP A 41 -4.780 -1.664 -4.473 1.00 0.00 C ATOM 692 O TRP A 41 -3.586 -1.406 -4.626 1.00 0.00 O ATOM 693 CB TRP A 41 -5.569 -1.860 -2.102 1.00 0.00 C ATOM 694 CG TRP A 41 -5.383 -1.062 -0.854 1.00 0.00 C ATOM 695 CD1 TRP A 41 -6.191 -0.069 -0.391 1.00 0.00 C ATOM 696 CD2 TRP A 41 -4.311 -1.182 0.081 1.00 0.00 C ATOM 697 NE1 TRP A 41 -5.686 0.442 0.778 1.00 0.00 N ATOM 698 CE2 TRP A 41 -4.532 -0.227 1.091 1.00 0.00 C ATOM 699 CE3 TRP A 41 -3.186 -2.004 0.164 1.00 0.00 C ATOM 700 CZ2 TRP A 41 -3.668 -0.072 2.166 1.00 0.00 C ATOM 701 CZ3 TRP A 41 -2.326 -1.848 1.232 1.00 0.00 C ATOM 702 CH2 TRP A 41 -2.573 -0.889 2.220 1.00 0.00 C ATOM 0 H TRP A 41 -7.662 -1.287 -3.235 1.00 0.00 H new ATOM 0 HA TRP A 41 -5.141 -0.030 -3.146 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -6.502 -2.420 -2.033 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -4.764 -2.591 -2.183 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -7.097 0.267 -0.873 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -6.102 1.196 1.324 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -2.992 -2.749 -0.594 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -3.854 0.667 2.932 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -1.450 -2.475 1.306 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -1.883 -0.792 3.045 1.00 0.00 H new ATOM 713 N LEU A 42 -5.448 -2.501 -5.254 1.00 0.00 N ATOM 714 CA LEU A 42 -4.802 -3.222 -6.346 1.00 0.00 C ATOM 715 C LEU A 42 -4.387 -2.280 -7.479 1.00 0.00 C ATOM 716 O LEU A 42 -3.538 -2.626 -8.305 1.00 0.00 O ATOM 717 CB LEU A 42 -5.737 -4.311 -6.878 1.00 0.00 C ATOM 718 CG LEU A 42 -6.582 -5.017 -5.815 1.00 0.00 C ATOM 719 CD1 LEU A 42 -7.723 -5.788 -6.463 1.00 0.00 C ATOM 720 CD2 LEU A 42 -5.722 -5.948 -4.971 1.00 0.00 C ATOM 0 H LEU A 42 -6.443 -2.700 -5.152 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.896 -3.683 -5.953 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.406 -3.866 -7.615 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.139 -5.058 -7.400 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.007 -4.257 -5.160 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.312 -6.283 -5.691 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -8.359 -5.099 -7.019 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.316 -6.535 -7.144 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -6.344 -6.439 -4.222 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.264 -6.701 -5.612 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.942 -5.372 -4.474 1.00 0.00 H new ATOM 732 N THR A 43 -4.981 -1.089 -7.508 1.00 0.00 N ATOM 733 CA THR A 43 -4.674 -0.087 -8.526 1.00 0.00 C ATOM 734 C THR A 43 -3.204 0.336 -8.454 1.00 0.00 C ATOM 735 O THR A 43 -2.519 0.427 -9.478 1.00 0.00 O ATOM 736 CB THR A 43 -5.585 1.156 -8.356 1.00 0.00 C ATOM 737 OG1 THR A 43 -6.918 0.850 -8.792 1.00 0.00 O ATOM 738 CG2 THR A 43 -5.059 2.365 -9.124 1.00 0.00 C ATOM 0 H THR A 43 -5.684 -0.793 -6.831 1.00 0.00 H new ATOM 0 HA THR A 43 -4.860 -0.535 -9.502 1.00 0.00 H new ATOM 0 HB THR A 43 -5.589 1.413 -7.297 1.00 0.00 H new ATOM 0 HG1 THR A 43 -7.488 1.639 -8.680 1.00 0.00 H new ATOM 0 HG21 THR A 43 -5.730 3.211 -8.975 1.00 0.00 H new ATOM 0 HG22 THR A 43 -4.064 2.622 -8.760 1.00 0.00 H new ATOM 0 HG23 THR A 43 -5.007 2.127 -10.186 1.00 0.00 H new ATOM 746 N ALA A 44 -2.717 0.549 -7.239 1.00 0.00 N ATOM 747 CA ALA A 44 -1.363 1.052 -7.027 1.00 0.00 C ATOM 748 C ALA A 44 -0.309 0.023 -7.410 1.00 0.00 C ATOM 749 O ALA A 44 0.794 0.374 -7.822 1.00 0.00 O ATOM 750 CB ALA A 44 -1.177 1.454 -5.575 1.00 0.00 C ATOM 0 H ALA A 44 -3.241 0.381 -6.380 1.00 0.00 H new ATOM 0 HA ALA A 44 -1.234 1.922 -7.671 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.164 1.828 -5.428 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.893 2.235 -5.319 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.341 0.588 -4.934 1.00 0.00 H new ATOM 756 N ILE A 45 -0.659 -1.246 -7.291 1.00 0.00 N ATOM 757 CA ILE A 45 0.302 -2.322 -7.500 1.00 0.00 C ATOM 758 C ILE A 45 0.096 -2.979 -8.854 1.00 0.00 C ATOM 759 O ILE A 45 0.774 -3.951 -9.193 1.00 0.00 O ATOM 760 CB ILE A 45 0.226 -3.390 -6.385 1.00 0.00 C ATOM 761 CG1 ILE A 45 -1.230 -3.629 -5.955 1.00 0.00 C ATOM 762 CG2 ILE A 45 1.079 -2.968 -5.200 1.00 0.00 C ATOM 763 CD1 ILE A 45 -1.392 -4.122 -4.530 1.00 0.00 C ATOM 0 H ILE A 45 -1.600 -1.559 -7.051 1.00 0.00 H new ATOM 0 HA ILE A 45 1.293 -1.870 -7.469 1.00 0.00 H new ATOM 0 HB ILE A 45 0.616 -4.330 -6.776 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.787 -2.699 -6.070 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -1.681 -4.356 -6.631 1.00 0.00 H new ATOM 0 HG21 ILE A 45 1.019 -3.727 -4.420 1.00 0.00 H new ATOM 0 HG22 ILE A 45 2.115 -2.857 -5.519 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.715 -2.017 -4.810 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -2.451 -4.264 -4.312 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.867 -5.070 -4.411 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -0.975 -3.387 -3.841 1.00 0.00 H new ATOM 775 N GLY A 46 -0.847 -2.436 -9.618 1.00 0.00 N ATOM 776 CA GLY A 46 -1.128 -2.941 -10.946 1.00 0.00 C ATOM 777 C GLY A 46 -1.447 -4.422 -10.951 1.00 0.00 C ATOM 778 O GLY A 46 -1.013 -5.157 -11.836 1.00 0.00 O ATOM 0 H GLY A 46 -1.427 -1.646 -9.335 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -1.968 -2.391 -11.370 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -0.269 -2.756 -11.590 1.00 0.00 H new ATOM 782 N ARG A 47 -2.202 -4.865 -9.960 1.00 0.00 N ATOM 783 CA ARG A 47 -2.515 -6.278 -9.831 1.00 0.00 C ATOM 784 C ARG A 47 -4.009 -6.497 -9.693 1.00 0.00 C ATOM 785 O ARG A 47 -4.791 -5.547 -9.671 1.00 0.00 O ATOM 786 CB ARG A 47 -1.808 -6.864 -8.612 1.00 0.00 C ATOM 787 CG ARG A 47 -0.644 -7.770 -8.955 1.00 0.00 C ATOM 788 CD ARG A 47 0.517 -7.542 -8.006 1.00 0.00 C ATOM 789 NE ARG A 47 1.512 -6.640 -8.578 1.00 0.00 N ATOM 790 CZ ARG A 47 2.814 -6.907 -8.626 1.00 0.00 C ATOM 791 NH1 ARG A 47 3.285 -8.041 -8.128 1.00 0.00 N ATOM 792 NH2 ARG A 47 3.645 -6.044 -9.185 1.00 0.00 N ATOM 0 H ARG A 47 -2.608 -4.271 -9.237 1.00 0.00 H new ATOM 0 HA ARG A 47 -2.169 -6.779 -10.735 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.448 -6.048 -7.986 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -2.531 -7.425 -8.020 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.961 -8.812 -8.904 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.323 -7.584 -9.980 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.145 -7.127 -7.069 1.00 0.00 H new ATOM 0 HD3 ARG A 47 0.985 -8.497 -7.768 1.00 0.00 H new ATOM 0 HE ARG A 47 1.190 -5.752 -8.964 1.00 0.00 H new ATOM 0 HH11 ARG A 47 2.648 -8.716 -7.705 1.00 0.00 H new ATOM 0 HH12 ARG A 47 4.285 -8.239 -8.168 1.00 0.00 H new ATOM 0 HH21 ARG A 47 3.287 -5.174 -9.579 1.00 0.00 H new ATOM 0 HH22 ARG A 47 4.644 -6.248 -9.222 1.00 0.00 H new ATOM 806 N THR A 48 -4.395 -7.759 -9.604 1.00 0.00 N ATOM 807 CA THR A 48 -5.764 -8.122 -9.320 1.00 0.00 C ATOM 808 C THR A 48 -5.860 -8.642 -7.887 1.00 0.00 C ATOM 809 O THR A 48 -4.859 -8.684 -7.171 1.00 0.00 O ATOM 810 CB THR A 48 -6.275 -9.186 -10.312 1.00 0.00 C ATOM 811 OG1 THR A 48 -5.458 -9.175 -11.493 1.00 0.00 O ATOM 812 CG2 THR A 48 -7.724 -8.925 -10.699 1.00 0.00 C ATOM 0 H THR A 48 -3.768 -8.554 -9.727 1.00 0.00 H new ATOM 0 HA THR A 48 -6.392 -7.238 -9.431 1.00 0.00 H new ATOM 0 HB THR A 48 -6.217 -10.160 -9.826 1.00 0.00 H new ATOM 0 HG1 THR A 48 -5.783 -9.853 -12.122 1.00 0.00 H new ATOM 0 HG21 THR A 48 -8.057 -9.691 -11.399 1.00 0.00 H new ATOM 0 HG22 THR A 48 -8.349 -8.952 -9.807 1.00 0.00 H new ATOM 0 HG23 THR A 48 -7.804 -7.945 -11.168 1.00 0.00 H new ATOM 820 N GLU A 49 -7.048 -9.053 -7.478 1.00 0.00 N ATOM 821 CA GLU A 49 -7.287 -9.445 -6.092 1.00 0.00 C ATOM 822 C GLU A 49 -6.591 -10.760 -5.760 1.00 0.00 C ATOM 823 O GLU A 49 -6.027 -10.913 -4.682 1.00 0.00 O ATOM 824 CB GLU A 49 -8.790 -9.552 -5.812 1.00 0.00 C ATOM 825 CG GLU A 49 -9.665 -8.866 -6.853 1.00 0.00 C ATOM 826 CD GLU A 49 -11.028 -8.486 -6.311 1.00 0.00 C ATOM 827 OE1 GLU A 49 -11.103 -7.919 -5.200 1.00 0.00 O ATOM 828 OE2 GLU A 49 -12.038 -8.757 -6.992 1.00 0.00 O ATOM 0 H GLU A 49 -7.866 -9.125 -8.084 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.866 -8.670 -5.451 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -9.065 -10.605 -5.759 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -8.999 -9.118 -4.834 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -9.159 -7.970 -7.214 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -9.791 -9.528 -7.710 1.00 0.00 H new ATOM 835 N GLU A 50 -6.594 -11.690 -6.705 1.00 0.00 N ATOM 836 CA GLU A 50 -6.010 -13.008 -6.478 1.00 0.00 C ATOM 837 C GLU A 50 -4.487 -12.938 -6.584 1.00 0.00 C ATOM 838 O GLU A 50 -3.767 -13.730 -5.971 1.00 0.00 O ATOM 839 CB GLU A 50 -6.587 -14.007 -7.489 1.00 0.00 C ATOM 840 CG GLU A 50 -5.805 -15.301 -7.622 1.00 0.00 C ATOM 841 CD GLU A 50 -4.987 -15.358 -8.896 1.00 0.00 C ATOM 842 OE1 GLU A 50 -5.554 -15.122 -9.985 1.00 0.00 O ATOM 843 OE2 GLU A 50 -3.773 -15.636 -8.815 1.00 0.00 O ATOM 0 H GLU A 50 -6.993 -11.558 -7.635 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.260 -13.347 -5.473 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -7.610 -14.245 -7.199 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -6.636 -13.526 -8.466 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.142 -15.411 -6.764 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -6.497 -16.143 -7.600 1.00 0.00 H new ATOM 850 N THR A 51 -4.009 -11.957 -7.332 1.00 0.00 N ATOM 851 CA THR A 51 -2.585 -11.773 -7.551 1.00 0.00 C ATOM 852 C THR A 51 -1.955 -10.972 -6.412 1.00 0.00 C ATOM 853 O THR A 51 -0.766 -10.650 -6.442 1.00 0.00 O ATOM 854 CB THR A 51 -2.342 -11.039 -8.883 1.00 0.00 C ATOM 855 OG1 THR A 51 -3.601 -10.668 -9.470 1.00 0.00 O ATOM 856 CG2 THR A 51 -1.572 -11.912 -9.855 1.00 0.00 C ATOM 0 H THR A 51 -4.596 -11.268 -7.803 1.00 0.00 H new ATOM 0 HA THR A 51 -2.122 -12.759 -7.586 1.00 0.00 H new ATOM 0 HB THR A 51 -1.751 -10.147 -8.676 1.00 0.00 H new ATOM 0 HG1 THR A 51 -3.478 -10.499 -10.427 1.00 0.00 H new ATOM 0 HG21 THR A 51 -1.415 -11.368 -10.787 1.00 0.00 H new ATOM 0 HG22 THR A 51 -0.607 -12.176 -9.422 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.140 -12.820 -10.056 1.00 0.00 H new ATOM 864 N VAL A 52 -2.765 -10.655 -5.409 1.00 0.00 N ATOM 865 CA VAL A 52 -2.326 -9.799 -4.321 1.00 0.00 C ATOM 866 C VAL A 52 -2.499 -10.468 -2.962 1.00 0.00 C ATOM 867 O VAL A 52 -1.735 -10.211 -2.029 1.00 0.00 O ATOM 868 CB VAL A 52 -3.077 -8.442 -4.378 1.00 0.00 C ATOM 869 CG1 VAL A 52 -3.408 -7.895 -2.997 1.00 0.00 C ATOM 870 CG2 VAL A 52 -2.265 -7.430 -5.168 1.00 0.00 C ATOM 0 H VAL A 52 -3.729 -10.979 -5.329 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.259 -9.616 -4.446 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.027 -8.621 -4.881 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -3.933 -6.945 -3.098 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -4.043 -8.605 -2.467 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.486 -7.743 -2.436 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.800 -6.481 -5.202 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.298 -7.284 -4.687 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.113 -7.798 -6.183 1.00 0.00 H new ATOM 880 N VAL A 53 -3.469 -11.359 -2.863 1.00 0.00 N ATOM 881 CA VAL A 53 -3.796 -11.972 -1.581 1.00 0.00 C ATOM 882 C VAL A 53 -2.822 -13.100 -1.219 1.00 0.00 C ATOM 883 O VAL A 53 -3.196 -14.273 -1.140 1.00 0.00 O ATOM 884 CB VAL A 53 -5.252 -12.496 -1.546 1.00 0.00 C ATOM 885 CG1 VAL A 53 -6.232 -11.339 -1.435 1.00 0.00 C ATOM 886 CG2 VAL A 53 -5.564 -13.340 -2.772 1.00 0.00 C ATOM 0 H VAL A 53 -4.042 -11.675 -3.646 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.698 -11.185 -0.834 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.358 -13.130 -0.666 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -7.251 -11.726 -1.412 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -6.035 -10.782 -0.519 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -6.114 -10.679 -2.294 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -6.594 -13.693 -2.718 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -5.434 -12.738 -3.671 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -4.889 -14.195 -2.807 1.00 0.00 H new ATOM 896 N SER A 54 -1.569 -12.730 -0.999 1.00 0.00 N ATOM 897 CA SER A 54 -0.547 -13.677 -0.580 1.00 0.00 C ATOM 898 C SER A 54 0.346 -13.054 0.500 1.00 0.00 C ATOM 899 O SER A 54 -0.118 -12.759 1.602 1.00 0.00 O ATOM 900 CB SER A 54 0.284 -14.132 -1.788 1.00 0.00 C ATOM 901 OG SER A 54 -0.263 -13.646 -3.005 1.00 0.00 O ATOM 0 H SER A 54 -1.234 -11.772 -1.105 1.00 0.00 H new ATOM 0 HA SER A 54 -1.033 -14.554 -0.153 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.309 -13.778 -1.681 1.00 0.00 H new ATOM 0 HB3 SER A 54 0.324 -15.221 -1.815 1.00 0.00 H new ATOM 0 HG SER A 54 0.288 -13.950 -3.756 1.00 0.00 H new ATOM 907 N GLN A 55 1.618 -12.837 0.173 1.00 0.00 N ATOM 908 CA GLN A 55 2.575 -12.261 1.119 1.00 0.00 C ATOM 909 C GLN A 55 2.837 -10.795 0.785 1.00 0.00 C ATOM 910 O GLN A 55 3.773 -10.185 1.301 1.00 0.00 O ATOM 911 CB GLN A 55 3.901 -13.044 1.119 1.00 0.00 C ATOM 912 CG GLN A 55 3.976 -14.166 0.093 1.00 0.00 C ATOM 913 CD GLN A 55 4.371 -13.674 -1.284 1.00 0.00 C ATOM 914 OE1 GLN A 55 3.518 -13.291 -2.088 1.00 0.00 O ATOM 915 NE2 GLN A 55 5.664 -13.684 -1.569 1.00 0.00 N ATOM 0 H GLN A 55 2.012 -13.052 -0.743 1.00 0.00 H new ATOM 0 HA GLN A 55 2.139 -12.328 2.116 1.00 0.00 H new ATOM 0 HB2 GLN A 55 4.719 -12.347 0.936 1.00 0.00 H new ATOM 0 HB3 GLN A 55 4.058 -13.466 2.112 1.00 0.00 H new ATOM 0 HG2 GLN A 55 4.697 -14.912 0.428 1.00 0.00 H new ATOM 0 HG3 GLN A 55 3.008 -14.663 0.033 1.00 0.00 H new ATOM 0 HE21 GLN A 55 6.337 -14.009 -0.875 1.00 0.00 H new ATOM 0 HE22 GLN A 55 5.987 -13.367 -2.483 1.00 0.00 H new ATOM 924 N LEU A 56 2.004 -10.249 -0.091 1.00 0.00 N ATOM 925 CA LEU A 56 2.146 -8.873 -0.551 1.00 0.00 C ATOM 926 C LEU A 56 1.992 -7.882 0.601 1.00 0.00 C ATOM 927 O LEU A 56 1.075 -7.997 1.417 1.00 0.00 O ATOM 928 CB LEU A 56 1.104 -8.580 -1.632 1.00 0.00 C ATOM 929 CG LEU A 56 1.513 -7.527 -2.658 1.00 0.00 C ATOM 930 CD1 LEU A 56 1.357 -8.073 -4.066 1.00 0.00 C ATOM 931 CD2 LEU A 56 0.686 -6.264 -2.482 1.00 0.00 C ATOM 0 H LEU A 56 1.213 -10.745 -0.502 1.00 0.00 H new ATOM 0 HA LEU A 56 3.148 -8.755 -0.965 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.878 -9.508 -2.157 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.183 -8.255 -1.148 1.00 0.00 H new ATOM 0 HG LEU A 56 2.562 -7.276 -2.498 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.652 -7.311 -4.787 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.990 -8.952 -4.188 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.316 -8.349 -4.236 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.991 -5.524 -3.222 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.370 -6.499 -2.617 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.843 -5.863 -1.481 1.00 0.00 H new ATOM 943 N ARG A 57 2.900 -6.915 0.664 1.00 0.00 N ATOM 944 CA ARG A 57 2.861 -5.883 1.692 1.00 0.00 C ATOM 945 C ARG A 57 3.110 -4.519 1.062 1.00 0.00 C ATOM 946 O ARG A 57 3.660 -4.433 -0.034 1.00 0.00 O ATOM 947 CB ARG A 57 3.913 -6.153 2.773 1.00 0.00 C ATOM 948 CG ARG A 57 3.849 -7.556 3.355 1.00 0.00 C ATOM 949 CD ARG A 57 3.197 -7.566 4.727 1.00 0.00 C ATOM 950 NE ARG A 57 3.833 -8.532 5.616 1.00 0.00 N ATOM 951 CZ ARG A 57 4.219 -8.268 6.861 1.00 0.00 C ATOM 952 NH1 ARG A 57 4.015 -7.068 7.399 1.00 0.00 N ATOM 953 NH2 ARG A 57 4.816 -9.209 7.571 1.00 0.00 N ATOM 0 H ARG A 57 3.677 -6.825 0.010 1.00 0.00 H new ATOM 0 HA ARG A 57 1.875 -5.896 2.157 1.00 0.00 H new ATOM 0 HB2 ARG A 57 4.905 -5.990 2.351 1.00 0.00 H new ATOM 0 HB3 ARG A 57 3.787 -5.430 3.578 1.00 0.00 H new ATOM 0 HG2 ARG A 57 3.289 -8.204 2.681 1.00 0.00 H new ATOM 0 HG3 ARG A 57 4.856 -7.966 3.428 1.00 0.00 H new ATOM 0 HD2 ARG A 57 3.258 -6.571 5.167 1.00 0.00 H new ATOM 0 HD3 ARG A 57 2.138 -7.805 4.626 1.00 0.00 H new ATOM 0 HE ARG A 57 3.992 -9.474 5.258 1.00 0.00 H new ATOM 0 HH11 ARG A 57 3.557 -6.336 6.855 1.00 0.00 H new ATOM 0 HH12 ARG A 57 4.316 -6.880 8.355 1.00 0.00 H new ATOM 0 HH21 ARG A 57 4.978 -10.130 7.163 1.00 0.00 H new ATOM 0 HH22 ARG A 57 5.115 -9.014 8.527 1.00 0.00 H new ATOM 967 N ILE A 58 2.700 -3.463 1.750 1.00 0.00 N ATOM 968 CA ILE A 58 2.847 -2.107 1.231 1.00 0.00 C ATOM 969 C ILE A 58 3.489 -1.197 2.274 1.00 0.00 C ATOM 970 O ILE A 58 3.063 -1.171 3.429 1.00 0.00 O ATOM 971 CB ILE A 58 1.478 -1.517 0.811 1.00 0.00 C ATOM 972 CG1 ILE A 58 0.825 -2.379 -0.277 1.00 0.00 C ATOM 973 CG2 ILE A 58 1.630 -0.080 0.327 1.00 0.00 C ATOM 974 CD1 ILE A 58 1.626 -2.456 -1.562 1.00 0.00 C ATOM 0 H ILE A 58 2.262 -3.517 2.670 1.00 0.00 H new ATOM 0 HA ILE A 58 3.491 -2.162 0.354 1.00 0.00 H new ATOM 0 HB ILE A 58 0.831 -1.517 1.688 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.680 -3.387 0.110 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.164 -1.978 -0.500 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.655 0.312 0.038 1.00 0.00 H new ATOM 0 HG22 ILE A 58 2.044 0.532 1.128 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.300 -0.054 -0.532 1.00 0.00 H new ATOM 0 HD11 ILE A 58 1.100 -3.083 -2.282 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.749 -1.455 -1.975 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.606 -2.886 -1.355 1.00 0.00 H new ATOM 986 N CYS A 59 4.526 -0.472 1.861 1.00 0.00 N ATOM 987 CA CYS A 59 5.203 0.484 2.730 1.00 0.00 C ATOM 988 C CYS A 59 4.250 1.579 3.217 1.00 0.00 C ATOM 989 O CYS A 59 3.361 2.018 2.484 1.00 0.00 O ATOM 990 CB CYS A 59 6.381 1.128 1.992 1.00 0.00 C ATOM 991 SG CYS A 59 7.407 -0.044 1.044 1.00 0.00 S ATOM 0 H CYS A 59 4.918 -0.531 0.921 1.00 0.00 H new ATOM 0 HA CYS A 59 5.566 -0.065 3.599 1.00 0.00 H new ATOM 0 HB2 CYS A 59 5.996 1.888 1.312 1.00 0.00 H new ATOM 0 HB3 CYS A 59 7.013 1.640 2.718 1.00 0.00 H new ATOM 996 N SER A 60 4.465 2.032 4.447 1.00 0.00 N ATOM 997 CA SER A 60 3.665 3.099 5.035 1.00 0.00 C ATOM 998 C SER A 60 3.902 4.429 4.317 1.00 0.00 C ATOM 999 O SER A 60 3.136 5.380 4.475 1.00 0.00 O ATOM 1000 CB SER A 60 4.016 3.236 6.516 1.00 0.00 C ATOM 1001 OG SER A 60 5.192 2.506 6.826 1.00 0.00 O ATOM 0 H SER A 60 5.195 1.672 5.062 1.00 0.00 H new ATOM 0 HA SER A 60 2.611 2.843 4.926 1.00 0.00 H new ATOM 0 HB2 SER A 60 4.160 4.288 6.764 1.00 0.00 H new ATOM 0 HB3 SER A 60 3.188 2.875 7.125 1.00 0.00 H new ATOM 0 HG SER A 60 5.399 2.609 7.778 1.00 0.00 H new ATOM 1007 N ALA A 61 4.961 4.478 3.512 1.00 0.00 N ATOM 1008 CA ALA A 61 5.338 5.697 2.808 1.00 0.00 C ATOM 1009 C ALA A 61 4.481 5.906 1.570 1.00 0.00 C ATOM 1010 O ALA A 61 4.552 6.947 0.924 1.00 0.00 O ATOM 1011 CB ALA A 61 6.807 5.647 2.422 1.00 0.00 C ATOM 0 H ALA A 61 5.574 3.683 3.332 1.00 0.00 H new ATOM 0 HA ALA A 61 5.172 6.538 3.481 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.077 6.563 1.897 1.00 0.00 H new ATOM 0 HB2 ALA A 61 7.416 5.551 3.321 1.00 0.00 H new ATOM 0 HB3 ALA A 61 6.983 4.790 1.771 1.00 0.00 H new ATOM 1017 N HIS A 62 3.664 4.917 1.247 1.00 0.00 N ATOM 1018 CA HIS A 62 2.806 4.994 0.072 1.00 0.00 C ATOM 1019 C HIS A 62 1.483 5.673 0.420 1.00 0.00 C ATOM 1020 O HIS A 62 0.501 5.553 -0.312 1.00 0.00 O ATOM 1021 CB HIS A 62 2.545 3.593 -0.498 1.00 0.00 C ATOM 1022 CG HIS A 62 3.765 2.928 -1.067 1.00 0.00 C ATOM 1023 ND1 HIS A 62 4.360 3.295 -2.263 1.00 0.00 N ATOM 1024 CD2 HIS A 62 4.508 1.898 -0.577 1.00 0.00 C ATOM 1025 CE1 HIS A 62 5.421 2.487 -2.459 1.00 0.00 C ATOM 1026 NE2 HIS A 62 5.542 1.636 -1.464 1.00 0.00 N ATOM 0 H HIS A 62 3.575 4.052 1.780 1.00 0.00 H new ATOM 0 HA HIS A 62 3.317 5.589 -0.685 1.00 0.00 H new ATOM 0 HB2 HIS A 62 2.134 2.962 0.290 1.00 0.00 H new ATOM 0 HB3 HIS A 62 1.786 3.665 -1.277 1.00 0.00 H new ATOM 0 HD1 HIS A 62 4.051 4.043 -2.884 1.00 0.00 H new ATOM 0 HD2 HIS A 62 4.323 1.372 0.348 1.00 0.00 H new ATOM 0 HE1 HIS A 62 6.080 2.532 -3.314 1.00 0.00 H new ATOM 1034 N PHE A 63 1.465 6.388 1.540 1.00 0.00 N ATOM 1035 CA PHE A 63 0.250 7.027 2.025 1.00 0.00 C ATOM 1036 C PHE A 63 0.506 8.483 2.396 1.00 0.00 C ATOM 1037 O PHE A 63 1.635 8.867 2.714 1.00 0.00 O ATOM 1038 CB PHE A 63 -0.290 6.287 3.252 1.00 0.00 C ATOM 1039 CG PHE A 63 -0.662 4.859 2.991 1.00 0.00 C ATOM 1040 CD1 PHE A 63 0.281 3.853 3.120 1.00 0.00 C ATOM 1041 CD2 PHE A 63 -1.951 4.524 2.616 1.00 0.00 C ATOM 1042 CE1 PHE A 63 -0.056 2.538 2.880 1.00 0.00 C ATOM 1043 CE2 PHE A 63 -2.294 3.209 2.374 1.00 0.00 C ATOM 1044 CZ PHE A 63 -1.344 2.216 2.506 1.00 0.00 C ATOM 0 H PHE A 63 2.283 6.539 2.130 1.00 0.00 H new ATOM 0 HA PHE A 63 -0.485 6.990 1.221 1.00 0.00 H new ATOM 0 HB2 PHE A 63 0.462 6.317 4.041 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -1.166 6.817 3.626 1.00 0.00 H new ATOM 0 HD1 PHE A 63 1.291 4.101 3.412 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -2.696 5.299 2.512 1.00 0.00 H new ATOM 0 HE1 PHE A 63 0.687 1.761 2.985 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -3.303 2.958 2.082 1.00 0.00 H new ATOM 0 HZ PHE A 63 -1.609 1.186 2.316 1.00 0.00 H new ATOM 1054 N GLU A 64 -0.548 9.285 2.345 1.00 0.00 N ATOM 1055 CA GLU A 64 -0.492 10.675 2.778 1.00 0.00 C ATOM 1056 C GLU A 64 -0.532 10.755 4.305 1.00 0.00 C ATOM 1057 O GLU A 64 -1.598 10.667 4.918 1.00 0.00 O ATOM 1058 CB GLU A 64 -1.657 11.469 2.178 1.00 0.00 C ATOM 1059 CG GLU A 64 -2.977 10.712 2.179 1.00 0.00 C ATOM 1060 CD GLU A 64 -4.171 11.612 2.414 1.00 0.00 C ATOM 1061 OE1 GLU A 64 -4.011 12.671 3.061 1.00 0.00 O ATOM 1062 OE2 GLU A 64 -5.277 11.271 1.952 1.00 0.00 O ATOM 0 H GLU A 64 -1.464 8.992 2.004 1.00 0.00 H new ATOM 0 HA GLU A 64 0.444 11.110 2.427 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -1.780 12.396 2.738 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -1.407 11.745 1.154 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -3.097 10.199 1.225 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.949 9.944 2.952 1.00 0.00 H new ATOM 1069 N GLY A 65 0.630 10.910 4.913 1.00 0.00 N ATOM 1070 CA GLY A 65 0.712 10.968 6.357 1.00 0.00 C ATOM 1071 C GLY A 65 1.415 9.756 6.930 1.00 0.00 C ATOM 1072 O GLY A 65 2.399 9.887 7.655 1.00 0.00 O ATOM 0 H GLY A 65 1.524 10.997 4.431 1.00 0.00 H new ATOM 0 HA2 GLY A 65 1.244 11.871 6.655 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -0.292 11.037 6.775 1.00 0.00 H new ATOM 1076 N GLY A 66 0.910 8.576 6.601 1.00 0.00 N ATOM 1077 CA GLY A 66 1.532 7.349 7.061 1.00 0.00 C ATOM 1078 C GLY A 66 0.620 6.539 7.958 1.00 0.00 C ATOM 1079 O GLY A 66 1.027 6.095 9.033 1.00 0.00 O ATOM 0 H GLY A 66 0.080 8.445 6.023 1.00 0.00 H new ATOM 0 HA2 GLY A 66 1.819 6.746 6.200 1.00 0.00 H new ATOM 0 HA3 GLY A 66 2.448 7.590 7.601 1.00 0.00 H new ATOM 1083 N GLU A 67 -0.619 6.361 7.524 1.00 0.00 N ATOM 1084 CA GLU A 67 -1.586 5.568 8.264 1.00 0.00 C ATOM 1085 C GLU A 67 -2.612 4.951 7.317 1.00 0.00 C ATOM 1086 O GLU A 67 -3.118 5.614 6.411 1.00 0.00 O ATOM 1087 CB GLU A 67 -2.291 6.433 9.317 1.00 0.00 C ATOM 1088 CG GLU A 67 -3.445 5.733 10.017 1.00 0.00 C ATOM 1089 CD GLU A 67 -2.988 4.586 10.897 1.00 0.00 C ATOM 1090 OE1 GLU A 67 -2.633 3.515 10.360 1.00 0.00 O ATOM 1091 OE2 GLU A 67 -2.988 4.748 12.134 1.00 0.00 O ATOM 0 H GLU A 67 -0.979 6.759 6.657 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.054 4.763 8.770 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -1.561 6.745 10.064 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -2.665 7.338 8.838 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.989 6.457 10.624 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.143 5.356 9.269 1.00 0.00 H new ATOM 1098 N LYS A 68 -2.887 3.673 7.522 1.00 0.00 N ATOM 1099 CA LYS A 68 -3.911 2.965 6.769 1.00 0.00 C ATOM 1100 C LYS A 68 -5.174 2.854 7.622 1.00 0.00 C ATOM 1101 O LYS A 68 -5.325 1.915 8.415 1.00 0.00 O ATOM 1102 CB LYS A 68 -3.392 1.583 6.366 1.00 0.00 C ATOM 1103 CG LYS A 68 -4.416 0.712 5.652 1.00 0.00 C ATOM 1104 CD LYS A 68 -4.128 -0.767 5.871 1.00 0.00 C ATOM 1105 CE LYS A 68 -3.775 -1.062 7.324 1.00 0.00 C ATOM 1106 NZ LYS A 68 -4.979 -1.103 8.197 1.00 0.00 N ATOM 0 H LYS A 68 -2.408 3.097 8.214 1.00 0.00 H new ATOM 0 HA LYS A 68 -4.154 3.513 5.859 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -2.525 1.709 5.718 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.049 1.062 7.260 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -5.416 0.948 6.016 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -4.405 0.933 4.585 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -4.999 -1.354 5.581 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -3.306 -1.077 5.226 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -3.253 -2.017 7.383 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -3.088 -0.300 7.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -4.743 -1.579 9.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -5.298 -0.133 8.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -5.739 -1.626 7.716 1.00 0.00 H new ATOM 1120 N LYS A 69 -6.072 3.818 7.467 1.00 0.00 N ATOM 1121 CA LYS A 69 -7.233 3.930 8.338 1.00 0.00 C ATOM 1122 C LYS A 69 -8.420 3.129 7.813 1.00 0.00 C ATOM 1123 O LYS A 69 -8.852 2.169 8.452 1.00 0.00 O ATOM 1124 CB LYS A 69 -7.629 5.399 8.506 1.00 0.00 C ATOM 1125 CG LYS A 69 -8.584 5.650 9.664 1.00 0.00 C ATOM 1126 CD LYS A 69 -9.446 6.878 9.423 1.00 0.00 C ATOM 1127 CE LYS A 69 -10.688 6.542 8.614 1.00 0.00 C ATOM 1128 NZ LYS A 69 -11.863 6.271 9.483 1.00 0.00 N ATOM 0 H LYS A 69 -6.018 4.535 6.744 1.00 0.00 H new ATOM 0 HA LYS A 69 -6.955 3.514 9.306 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -6.728 5.994 8.655 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -8.092 5.748 7.583 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -9.223 4.778 9.805 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.015 5.780 10.584 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -9.740 7.310 10.380 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -8.863 7.635 8.898 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -10.917 7.369 7.942 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.490 5.670 7.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -12.731 6.574 8.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -11.917 5.252 9.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -11.764 6.796 10.375 1.00 0.00 H new ATOM 1142 N GLU A 70 -8.943 3.520 6.653 1.00 0.00 N ATOM 1143 CA GLU A 70 -10.162 2.901 6.132 1.00 0.00 C ATOM 1144 C GLU A 70 -10.381 3.197 4.651 1.00 0.00 C ATOM 1145 O GLU A 70 -10.845 2.337 3.906 1.00 0.00 O ATOM 1146 CB GLU A 70 -11.380 3.376 6.928 1.00 0.00 C ATOM 1147 CG GLU A 70 -12.192 2.245 7.541 1.00 0.00 C ATOM 1148 CD GLU A 70 -12.824 2.627 8.864 1.00 0.00 C ATOM 1149 OE1 GLU A 70 -12.519 3.723 9.383 1.00 0.00 O ATOM 1150 OE2 GLU A 70 -13.630 1.832 9.397 1.00 0.00 O ATOM 0 H GLU A 70 -8.549 4.252 6.062 1.00 0.00 H new ATOM 0 HA GLU A 70 -10.039 1.824 6.242 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -11.045 4.043 7.723 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -12.026 3.960 6.272 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -12.974 1.945 6.843 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -11.547 1.379 7.688 1.00 0.00 H new ATOM 1157 N GLY A 71 -10.079 4.417 4.228 1.00 0.00 N ATOM 1158 CA GLY A 71 -10.302 4.784 2.842 1.00 0.00 C ATOM 1159 C GLY A 71 -9.016 5.088 2.107 1.00 0.00 C ATOM 1160 O GLY A 71 -9.027 5.421 0.925 1.00 0.00 O ATOM 0 H GLY A 71 -9.687 5.154 4.813 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -10.823 3.972 2.334 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -10.954 5.656 2.801 1.00 0.00 H new ATOM 1164 N ASP A 72 -7.907 4.959 2.803 1.00 0.00 N ATOM 1165 CA ASP A 72 -6.609 5.320 2.258 1.00 0.00 C ATOM 1166 C ASP A 72 -6.078 4.224 1.347 1.00 0.00 C ATOM 1167 O ASP A 72 -5.874 3.085 1.769 1.00 0.00 O ATOM 1168 CB ASP A 72 -5.602 5.583 3.391 1.00 0.00 C ATOM 1169 CG ASP A 72 -6.266 6.015 4.688 1.00 0.00 C ATOM 1170 OD1 ASP A 72 -7.025 5.207 5.283 1.00 0.00 O ATOM 1171 OD2 ASP A 72 -6.053 7.164 5.117 1.00 0.00 O ATOM 0 H ASP A 72 -7.876 4.603 3.758 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.735 6.231 1.673 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -5.021 4.678 3.571 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -4.900 6.355 3.074 1.00 0.00 H new ATOM 1176 N ILE A 73 -5.879 4.583 0.091 1.00 0.00 N ATOM 1177 CA ILE A 73 -5.275 3.694 -0.889 1.00 0.00 C ATOM 1178 C ILE A 73 -3.810 4.074 -1.071 1.00 0.00 C ATOM 1179 O ILE A 73 -3.470 5.257 -1.023 1.00 0.00 O ATOM 1180 CB ILE A 73 -6.010 3.792 -2.247 1.00 0.00 C ATOM 1181 CG1 ILE A 73 -7.517 3.703 -2.035 1.00 0.00 C ATOM 1182 CG2 ILE A 73 -5.552 2.707 -3.208 1.00 0.00 C ATOM 1183 CD1 ILE A 73 -8.296 4.700 -2.860 1.00 0.00 C ATOM 0 H ILE A 73 -6.131 5.499 -0.280 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.354 2.668 -0.530 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.765 4.757 -2.691 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -7.853 2.696 -2.282 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -7.739 3.863 -0.980 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -6.089 2.806 -4.151 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.482 2.808 -3.387 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -5.757 1.728 -2.775 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -9.361 4.583 -2.662 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.987 5.711 -2.596 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -8.103 4.526 -3.919 1.00 0.00 H new ATOM 1195 N PRO A 74 -2.915 3.095 -1.260 1.00 0.00 N ATOM 1196 CA PRO A 74 -1.505 3.378 -1.472 1.00 0.00 C ATOM 1197 C PRO A 74 -1.272 4.029 -2.830 1.00 0.00 C ATOM 1198 O PRO A 74 -1.993 3.758 -3.793 1.00 0.00 O ATOM 1199 CB PRO A 74 -0.845 2.000 -1.418 1.00 0.00 C ATOM 1200 CG PRO A 74 -1.920 1.050 -1.804 1.00 0.00 C ATOM 1201 CD PRO A 74 -3.202 1.653 -1.304 1.00 0.00 C ATOM 0 HA PRO A 74 -1.104 4.073 -0.734 1.00 0.00 H new ATOM 0 HB2 PRO A 74 0.001 1.939 -2.102 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -0.464 1.782 -0.420 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -1.949 0.911 -2.885 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -1.751 0.068 -1.361 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -4.036 1.431 -1.970 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -3.469 1.268 -0.320 1.00 0.00 H new ATOM 1209 N VAL A 75 -0.298 4.910 -2.899 1.00 0.00 N ATOM 1210 CA VAL A 75 0.088 5.518 -4.160 1.00 0.00 C ATOM 1211 C VAL A 75 1.597 5.413 -4.333 1.00 0.00 C ATOM 1212 O VAL A 75 2.322 5.199 -3.356 1.00 0.00 O ATOM 1213 CB VAL A 75 -0.352 7.000 -4.249 1.00 0.00 C ATOM 1214 CG1 VAL A 75 -1.868 7.101 -4.408 1.00 0.00 C ATOM 1215 CG2 VAL A 75 0.119 7.777 -3.030 1.00 0.00 C ATOM 0 H VAL A 75 0.245 5.224 -2.095 1.00 0.00 H new ATOM 0 HA VAL A 75 -0.419 4.979 -4.961 1.00 0.00 H new ATOM 0 HB VAL A 75 0.113 7.443 -5.130 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -2.158 8.150 -4.469 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -2.173 6.587 -5.319 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -2.355 6.639 -3.550 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -0.201 8.815 -3.114 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -0.310 7.337 -2.130 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.207 7.737 -2.971 1.00 0.00 H new ATOM 1225 N PRO A 76 2.090 5.526 -5.573 1.00 0.00 N ATOM 1226 CA PRO A 76 3.528 5.463 -5.860 1.00 0.00 C ATOM 1227 C PRO A 76 4.302 6.505 -5.066 1.00 0.00 C ATOM 1228 O PRO A 76 5.344 6.214 -4.485 1.00 0.00 O ATOM 1229 CB PRO A 76 3.610 5.762 -7.359 1.00 0.00 C ATOM 1230 CG PRO A 76 2.265 5.408 -7.893 1.00 0.00 C ATOM 1231 CD PRO A 76 1.290 5.713 -6.792 1.00 0.00 C ATOM 0 HA PRO A 76 3.963 4.501 -5.587 1.00 0.00 H new ATOM 0 HB2 PRO A 76 3.844 6.811 -7.541 1.00 0.00 H new ATOM 0 HB3 PRO A 76 4.393 5.173 -7.837 1.00 0.00 H new ATOM 0 HG2 PRO A 76 2.036 5.986 -8.788 1.00 0.00 H new ATOM 0 HG3 PRO A 76 2.221 4.356 -8.173 1.00 0.00 H new ATOM 0 HD2 PRO A 76 0.903 6.729 -6.867 1.00 0.00 H new ATOM 0 HD3 PRO A 76 0.432 5.042 -6.817 1.00 0.00 H new ATOM 1239 N ASP A 77 3.761 7.710 -5.037 1.00 0.00 N ATOM 1240 CA ASP A 77 4.360 8.818 -4.312 1.00 0.00 C ATOM 1241 C ASP A 77 3.280 9.831 -3.977 1.00 0.00 C ATOM 1242 O ASP A 77 2.689 10.424 -4.872 1.00 0.00 O ATOM 1243 CB ASP A 77 5.460 9.468 -5.155 1.00 0.00 C ATOM 1244 CG ASP A 77 6.262 10.488 -4.379 1.00 0.00 C ATOM 1245 OD1 ASP A 77 5.684 11.512 -3.978 1.00 0.00 O ATOM 1246 OD2 ASP A 77 7.479 10.279 -4.186 1.00 0.00 O ATOM 0 H ASP A 77 2.893 7.949 -5.516 1.00 0.00 H new ATOM 0 HA ASP A 77 4.811 8.451 -3.390 1.00 0.00 H new ATOM 0 HB2 ASP A 77 6.130 8.694 -5.531 1.00 0.00 H new ATOM 0 HB3 ASP A 77 5.010 9.949 -6.023 1.00 0.00 H new ATOM 1251 N PRO A 78 2.995 10.035 -2.684 1.00 0.00 N ATOM 1252 CA PRO A 78 1.908 10.916 -2.243 1.00 0.00 C ATOM 1253 C PRO A 78 2.155 12.390 -2.564 1.00 0.00 C ATOM 1254 O PRO A 78 1.255 13.221 -2.423 1.00 0.00 O ATOM 1255 CB PRO A 78 1.851 10.699 -0.729 1.00 0.00 C ATOM 1256 CG PRO A 78 3.201 10.191 -0.359 1.00 0.00 C ATOM 1257 CD PRO A 78 3.701 9.417 -1.547 1.00 0.00 C ATOM 0 HA PRO A 78 0.977 10.677 -2.758 1.00 0.00 H new ATOM 0 HB2 PRO A 78 1.622 11.628 -0.206 1.00 0.00 H new ATOM 0 HB3 PRO A 78 1.074 9.983 -0.462 1.00 0.00 H new ATOM 0 HG2 PRO A 78 3.874 11.014 -0.120 1.00 0.00 H new ATOM 0 HG3 PRO A 78 3.148 9.555 0.525 1.00 0.00 H new ATOM 0 HD2 PRO A 78 4.783 9.500 -1.653 1.00 0.00 H new ATOM 0 HD3 PRO A 78 3.470 8.355 -1.460 1.00 0.00 H new ATOM 1265 N THR A 79 3.366 12.713 -2.994 1.00 0.00 N ATOM 1266 CA THR A 79 3.697 14.083 -3.351 1.00 0.00 C ATOM 1267 C THR A 79 3.815 14.245 -4.868 1.00 0.00 C ATOM 1268 O THR A 79 3.454 15.284 -5.423 1.00 0.00 O ATOM 1269 CB THR A 79 5.004 14.544 -2.672 1.00 0.00 C ATOM 1270 OG1 THR A 79 5.836 13.420 -2.342 1.00 0.00 O ATOM 1271 CG2 THR A 79 4.694 15.314 -1.405 1.00 0.00 C ATOM 0 H THR A 79 4.132 12.048 -3.104 1.00 0.00 H new ATOM 0 HA THR A 79 2.882 14.712 -2.993 1.00 0.00 H new ATOM 0 HB THR A 79 5.534 15.187 -3.375 1.00 0.00 H new ATOM 0 HG1 THR A 79 5.874 12.806 -3.105 1.00 0.00 H new ATOM 0 HG21 THR A 79 5.625 15.633 -0.936 1.00 0.00 H new ATOM 0 HG22 THR A 79 4.092 16.189 -1.649 1.00 0.00 H new ATOM 0 HG23 THR A 79 4.142 14.674 -0.716 1.00 0.00 H new ATOM 1279 N VAL A 80 4.316 13.211 -5.532 1.00 0.00 N ATOM 1280 CA VAL A 80 4.494 13.239 -6.978 1.00 0.00 C ATOM 1281 C VAL A 80 3.215 12.808 -7.693 1.00 0.00 C ATOM 1282 O VAL A 80 2.734 13.493 -8.599 1.00 0.00 O ATOM 1283 CB VAL A 80 5.675 12.333 -7.408 1.00 0.00 C ATOM 1284 CG1 VAL A 80 5.583 11.950 -8.880 1.00 0.00 C ATOM 1285 CG2 VAL A 80 6.997 13.025 -7.120 1.00 0.00 C ATOM 0 H VAL A 80 4.607 12.339 -5.090 1.00 0.00 H new ATOM 0 HA VAL A 80 4.723 14.266 -7.264 1.00 0.00 H new ATOM 0 HB VAL A 80 5.620 11.413 -6.826 1.00 0.00 H new ATOM 0 HG11 VAL A 80 6.428 11.315 -9.144 1.00 0.00 H new ATOM 0 HG12 VAL A 80 4.653 11.410 -9.058 1.00 0.00 H new ATOM 0 HG13 VAL A 80 5.601 12.852 -9.492 1.00 0.00 H new ATOM 0 HG21 VAL A 80 7.820 12.379 -7.426 1.00 0.00 H new ATOM 0 HG22 VAL A 80 7.046 13.962 -7.675 1.00 0.00 H new ATOM 0 HG23 VAL A 80 7.075 13.231 -6.052 1.00 0.00 H new ATOM 1295 N ASP A 81 2.655 11.689 -7.262 1.00 0.00 N ATOM 1296 CA ASP A 81 1.452 11.149 -7.882 1.00 0.00 C ATOM 1297 C ASP A 81 0.214 11.702 -7.192 1.00 0.00 C ATOM 1298 O ASP A 81 0.302 12.273 -6.106 1.00 0.00 O ATOM 1299 CB ASP A 81 1.451 9.616 -7.812 1.00 0.00 C ATOM 1300 CG ASP A 81 0.391 9.000 -8.703 1.00 0.00 C ATOM 1301 OD1 ASP A 81 0.108 9.570 -9.777 1.00 0.00 O ATOM 1302 OD2 ASP A 81 -0.167 7.949 -8.335 1.00 0.00 O ATOM 0 H ASP A 81 3.014 11.135 -6.484 1.00 0.00 H new ATOM 0 HA ASP A 81 1.439 11.449 -8.930 1.00 0.00 H new ATOM 0 HB2 ASP A 81 2.432 9.241 -8.105 1.00 0.00 H new ATOM 0 HB3 ASP A 81 1.284 9.302 -6.782 1.00 0.00 H new ATOM 1307 N LYS A 82 -0.933 11.551 -7.830 1.00 0.00 N ATOM 1308 CA LYS A 82 -2.188 11.967 -7.234 1.00 0.00 C ATOM 1309 C LYS A 82 -2.647 10.931 -6.216 1.00 0.00 C ATOM 1310 O LYS A 82 -3.323 9.963 -6.568 1.00 0.00 O ATOM 1311 CB LYS A 82 -3.259 12.159 -8.310 1.00 0.00 C ATOM 1312 CG LYS A 82 -4.327 13.174 -7.933 1.00 0.00 C ATOM 1313 CD LYS A 82 -5.713 12.551 -7.930 1.00 0.00 C ATOM 1314 CE LYS A 82 -6.761 13.524 -7.412 1.00 0.00 C ATOM 1315 NZ LYS A 82 -7.809 13.811 -8.428 1.00 0.00 N ATOM 0 H LYS A 82 -1.020 11.143 -8.761 1.00 0.00 H new ATOM 0 HA LYS A 82 -2.034 12.921 -6.729 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -2.779 12.476 -9.236 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -3.736 11.200 -8.511 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -4.109 13.583 -6.947 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -4.303 14.007 -8.636 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -5.974 12.238 -8.941 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -5.709 11.655 -7.309 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -7.227 13.111 -6.517 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -6.277 14.455 -7.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -8.502 14.478 -8.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -7.369 14.229 -9.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -8.290 12.927 -8.690 1.00 0.00 H new ATOM 1329 N GLN A 83 -2.222 11.119 -4.969 1.00 0.00 N ATOM 1330 CA GLN A 83 -2.638 10.263 -3.862 1.00 0.00 C ATOM 1331 C GLN A 83 -4.153 10.077 -3.866 1.00 0.00 C ATOM 1332 O GLN A 83 -4.909 11.044 -3.743 1.00 0.00 O ATOM 1333 CB GLN A 83 -2.176 10.865 -2.527 1.00 0.00 C ATOM 1334 CG GLN A 83 -2.948 10.359 -1.316 1.00 0.00 C ATOM 1335 CD GLN A 83 -2.536 8.961 -0.901 1.00 0.00 C ATOM 1336 OE1 GLN A 83 -1.449 8.754 -0.370 1.00 0.00 O ATOM 1337 NE2 GLN A 83 -3.405 7.992 -1.135 1.00 0.00 N ATOM 0 H GLN A 83 -1.582 11.866 -4.699 1.00 0.00 H new ATOM 0 HA GLN A 83 -2.173 9.285 -3.986 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -1.118 10.644 -2.388 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -2.271 11.950 -2.578 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -2.793 11.042 -0.481 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -4.014 10.367 -1.541 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -4.299 8.204 -1.579 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -3.182 7.032 -0.872 1.00 0.00 H new ATOM 1346 N ILE A 84 -4.593 8.836 -4.022 1.00 0.00 N ATOM 1347 CA ILE A 84 -6.007 8.549 -4.079 1.00 0.00 C ATOM 1348 C ILE A 84 -6.510 7.938 -2.772 1.00 0.00 C ATOM 1349 O ILE A 84 -5.949 6.964 -2.274 1.00 0.00 O ATOM 1350 CB ILE A 84 -6.370 7.620 -5.260 1.00 0.00 C ATOM 1351 CG1 ILE A 84 -5.301 6.544 -5.492 1.00 0.00 C ATOM 1352 CG2 ILE A 84 -6.577 8.438 -6.527 1.00 0.00 C ATOM 1353 CD1 ILE A 84 -5.880 5.178 -5.793 1.00 0.00 C ATOM 0 H ILE A 84 -3.988 8.019 -4.110 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.503 9.507 -4.235 1.00 0.00 H new ATOM 0 HB ILE A 84 -7.299 7.110 -5.004 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -4.661 6.850 -6.320 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -4.667 6.475 -4.608 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -6.832 7.773 -7.352 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -7.387 9.151 -6.372 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -5.660 8.977 -6.766 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -5.070 4.465 -5.946 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -6.497 4.852 -4.956 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -6.491 5.232 -6.694 1.00 0.00 H new ATOM 1365 N LYS A 85 -7.552 8.537 -2.213 1.00 0.00 N ATOM 1366 CA LYS A 85 -8.205 8.016 -1.016 1.00 0.00 C ATOM 1367 C LYS A 85 -9.721 8.014 -1.220 1.00 0.00 C ATOM 1368 O LYS A 85 -10.268 8.902 -1.878 1.00 0.00 O ATOM 1369 CB LYS A 85 -7.827 8.848 0.218 1.00 0.00 C ATOM 1370 CG LYS A 85 -8.270 10.301 0.157 1.00 0.00 C ATOM 1371 CD LYS A 85 -8.837 10.761 1.492 1.00 0.00 C ATOM 1372 CE LYS A 85 -8.698 12.263 1.674 1.00 0.00 C ATOM 1373 NZ LYS A 85 -7.436 12.627 2.371 1.00 0.00 N ATOM 0 H LYS A 85 -7.969 9.395 -2.574 1.00 0.00 H new ATOM 0 HA LYS A 85 -7.866 6.994 -0.845 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -8.265 8.384 1.102 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -6.745 8.816 0.345 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -7.424 10.931 -0.118 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -9.023 10.422 -0.622 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -9.889 10.482 1.556 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -8.321 10.247 2.303 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -8.727 12.750 0.699 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -9.548 12.639 2.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -7.349 13.662 2.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -7.449 12.240 3.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -6.626 12.233 1.851 1.00 0.00 H new ATOM 1387 N ILE A 86 -10.395 7.010 -0.680 1.00 0.00 N ATOM 1388 CA ILE A 86 -11.843 6.912 -0.799 1.00 0.00 C ATOM 1389 C ILE A 86 -12.515 7.701 0.311 1.00 0.00 C ATOM 1390 O ILE A 86 -12.110 7.615 1.471 1.00 0.00 O ATOM 1391 CB ILE A 86 -12.343 5.450 -0.730 1.00 0.00 C ATOM 1392 CG1 ILE A 86 -11.432 4.520 -1.530 1.00 0.00 C ATOM 1393 CG2 ILE A 86 -13.774 5.359 -1.240 1.00 0.00 C ATOM 1394 CD1 ILE A 86 -11.181 3.190 -0.855 1.00 0.00 C ATOM 0 H ILE A 86 -9.962 6.250 -0.154 1.00 0.00 H new ATOM 0 HA ILE A 86 -12.103 7.320 -1.776 1.00 0.00 H new ATOM 0 HB ILE A 86 -12.319 5.131 0.312 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -11.877 4.343 -2.509 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -10.477 5.018 -1.699 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -14.114 4.325 -1.186 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -14.420 5.986 -0.625 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -13.814 5.701 -2.274 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -10.527 2.582 -1.480 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -10.707 3.357 0.112 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -12.128 2.671 -0.710 1.00 0.00 H new ATOM 1406 N GLU A 87 -13.526 8.477 -0.049 1.00 0.00 N ATOM 1407 CA GLU A 87 -14.303 9.209 0.936 1.00 0.00 C ATOM 1408 C GLU A 87 -15.222 8.250 1.671 1.00 0.00 C ATOM 1409 O GLU A 87 -16.273 7.860 1.155 1.00 0.00 O ATOM 1410 CB GLU A 87 -15.122 10.313 0.273 1.00 0.00 C ATOM 1411 CG GLU A 87 -14.278 11.372 -0.409 1.00 0.00 C ATOM 1412 CD GLU A 87 -15.097 12.276 -1.301 1.00 0.00 C ATOM 1413 OE1 GLU A 87 -15.478 11.840 -2.405 1.00 0.00 O ATOM 1414 OE2 GLU A 87 -15.358 13.431 -0.900 1.00 0.00 O ATOM 0 H GLU A 87 -13.826 8.615 -1.014 1.00 0.00 H new ATOM 0 HA GLU A 87 -13.618 9.674 1.645 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -15.791 9.865 -0.462 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -15.749 10.790 1.026 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -13.773 11.973 0.347 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -13.502 10.888 -1.002 1.00 0.00 H new ATOM 1421 N LEU A 88 -14.820 7.866 2.867 1.00 0.00 N ATOM 1422 CA LEU A 88 -15.561 6.886 3.642 1.00 0.00 C ATOM 1423 C LEU A 88 -16.597 7.570 4.519 1.00 0.00 C ATOM 1424 O LEU A 88 -16.275 8.499 5.260 1.00 0.00 O ATOM 1425 CB LEU A 88 -14.604 6.059 4.507 1.00 0.00 C ATOM 1426 CG LEU A 88 -15.270 5.178 5.572 1.00 0.00 C ATOM 1427 CD1 LEU A 88 -15.135 3.707 5.209 1.00 0.00 C ATOM 1428 CD2 LEU A 88 -14.661 5.449 6.942 1.00 0.00 C ATOM 0 H LEU A 88 -13.980 8.219 3.326 1.00 0.00 H new ATOM 0 HA LEU A 88 -16.077 6.220 2.950 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -14.010 5.421 3.853 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -13.912 6.739 5.004 1.00 0.00 H new ATOM 0 HG LEU A 88 -16.331 5.425 5.611 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -15.613 3.098 5.976 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -15.616 3.524 4.248 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -14.079 3.444 5.143 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -15.144 4.816 7.687 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -13.594 5.228 6.916 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -14.809 6.496 7.205 1.00 0.00 H new ATOM 1440 N PRO A 89 -17.862 7.145 4.418 1.00 0.00 N ATOM 1441 CA PRO A 89 -18.912 7.598 5.326 1.00 0.00 C ATOM 1442 C PRO A 89 -18.596 7.185 6.758 1.00 0.00 C ATOM 1443 O PRO A 89 -18.346 6.006 7.018 1.00 0.00 O ATOM 1444 CB PRO A 89 -20.173 6.887 4.819 1.00 0.00 C ATOM 1445 CG PRO A 89 -19.850 6.465 3.426 1.00 0.00 C ATOM 1446 CD PRO A 89 -18.373 6.204 3.409 1.00 0.00 C ATOM 0 HA PRO A 89 -19.020 8.683 5.339 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -20.419 6.028 5.444 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -21.036 7.553 4.839 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -20.408 5.571 3.149 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -20.118 7.242 2.710 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -18.142 5.170 3.667 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -17.941 6.391 2.426 1.00 0.00 H new ATOM 1454 N PRO A 90 -18.573 8.155 7.691 1.00 0.00 N ATOM 1455 CA PRO A 90 -18.230 7.910 9.096 1.00 0.00 C ATOM 1456 C PRO A 90 -18.959 6.700 9.672 1.00 0.00 C ATOM 1457 O PRO A 90 -18.328 5.728 10.084 1.00 0.00 O ATOM 1458 CB PRO A 90 -18.665 9.197 9.817 1.00 0.00 C ATOM 1459 CG PRO A 90 -19.374 10.027 8.792 1.00 0.00 C ATOM 1460 CD PRO A 90 -18.878 9.568 7.454 1.00 0.00 C ATOM 0 HA PRO A 90 -17.170 7.685 9.215 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -19.322 8.970 10.657 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -17.803 9.728 10.220 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -20.454 9.900 8.870 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -19.166 11.087 8.940 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -19.632 9.695 6.677 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -17.996 10.125 7.136 1.00 0.00 H new ATOM 1468 N LYS A 91 -20.282 6.762 9.683 1.00 0.00 N ATOM 1469 CA LYS A 91 -21.107 5.661 10.151 1.00 0.00 C ATOM 1470 C LYS A 91 -22.567 5.971 9.872 1.00 0.00 C ATOM 1471 O LYS A 91 -23.399 5.045 9.929 1.00 0.00 O ATOM 1472 CB LYS A 91 -20.904 5.408 11.650 1.00 0.00 C ATOM 1473 CG LYS A 91 -20.641 3.948 11.987 1.00 0.00 C ATOM 1474 CD LYS A 91 -19.180 3.706 12.329 1.00 0.00 C ATOM 1475 CE LYS A 91 -18.593 2.574 11.501 1.00 0.00 C ATOM 1476 NZ LYS A 91 -18.161 3.037 10.154 1.00 0.00 N ATOM 1477 OXT LYS A 91 -22.869 7.151 9.586 1.00 0.00 O ATOM 0 H LYS A 91 -20.812 7.575 9.369 1.00 0.00 H new ATOM 0 HA LYS A 91 -20.811 4.758 9.617 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -20.067 6.011 12.002 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -21.789 5.744 12.191 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -21.266 3.650 12.829 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -20.926 3.322 11.141 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -18.609 4.618 12.156 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -19.088 3.468 13.389 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -17.741 2.143 12.027 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -19.334 1.782 11.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -18.582 2.426 9.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -18.475 4.018 10.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -17.124 2.992 10.087 1.00 0.00 H new TER 1491 LYS A 91 HETATM 1492 ZN ZN A 92 6.944 0.198 -1.205 1.00 0.00 ZN