USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 652 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 53 THR OG1 : rot 71:sc= 1.29 USER MOD Set 1.2: A 109 ASN : amide:sc= 1.03 K(o=2.3,f=-1.5) USER MOD Set 2.1: A 102 ASN : amide:sc= 2.2 K(o=5.2,f=-4.8!) USER MOD Set 2.2: A 104 SER OG : rot 133:sc= 1.29 USER MOD Set 2.3: A 108 SER OG : rot -50:sc= 1.75 USER MOD Set 3.1: A 28 LYS NZ :NH3+ 147:sc= 1.43 (180deg=0.206) USER MOD Set 3.2: A 105 SER OG : rot 180:sc= 1.02 USER MOD Set 4.1: A 76 LYS NZ :NH3+ -145:sc= 1.27 (180deg=0) USER MOD Set 4.2: A 78 ASN : amide:sc= 0.2 K(o=1.5,f=-3.9) USER MOD Set 5.1: A 52 SER OG : rot -127:sc= -0.0234 USER MOD Set 5.2: A 59 MET CE :methyl -143:sc= -0.0803 (180deg=-0.897) USER MOD Single : A 20 THR OG1 : rot 44:sc= 0.04 USER MOD Single : A 21 TYR OH : rot -159:sc= 0.28 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.00516 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.0501 X(o=-0.05,f=-0.05) USER MOD Single : A 32 CYS SG : rot -115:sc= 0.27 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HE2:sc= 1.21 K(o=1.2,f=-5.5!) USER MOD Single : A 54 ASN : amide:sc= -0.409 K(o=-0.41,f=-0.94) USER MOD Single : A 56 ASN : amide:sc= -2.56 K(o=-2.6,f=-5.6!) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 ASN :FLIP amide:sc= -0.268 F(o=-0.91,f=-0.27) USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0.0023) USER MOD Single : A 82 LYS NZ :NH3+ -139:sc= 1.29 (180deg=0.962) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 TYR OH : rot 180:sc= -0.215 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 81:sc= 0.127 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -166:sc= 2.25 (180deg=2.17) USER MOD Single : A 101 LYS NZ :NH3+ -163:sc= 1.23 (180deg=0.888) USER MOD Single : A 103 ASN : amide:sc= 0.778 K(o=0.78,f=0) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0.1 USER MOD Single : A 110 TYR OH : rot 36:sc= 0.0445 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 115 THR OG1 : rot 180:sc= -0.0641 USER MOD ----------------------------------------------------------------- ATOM 91 N ALA A 19 -4.934 -3.797 -1.978 1.00 0.00 N ATOM 92 CA ALA A 19 -3.521 -3.616 -2.250 1.00 0.00 C ATOM 93 C ALA A 19 -2.699 -4.729 -1.611 1.00 0.00 C ATOM 94 O ALA A 19 -2.223 -4.593 -0.489 1.00 0.00 O ATOM 95 CB ALA A 19 -3.072 -2.254 -1.744 1.00 0.00 C ATOM 0 HA ALA A 19 -3.361 -3.662 -3.327 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.010 -2.121 -1.950 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.640 -1.473 -2.249 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.244 -2.190 -0.670 1.00 0.00 H new ATOM 101 N THR A 20 -2.537 -5.831 -2.323 1.00 0.00 N ATOM 102 CA THR A 20 -1.818 -6.970 -1.780 1.00 0.00 C ATOM 103 C THR A 20 -0.763 -7.472 -2.757 1.00 0.00 C ATOM 104 O THR A 20 -1.078 -7.804 -3.899 1.00 0.00 O ATOM 105 CB THR A 20 -2.779 -8.125 -1.437 1.00 0.00 C ATOM 106 OG1 THR A 20 -3.719 -8.331 -2.502 1.00 0.00 O ATOM 107 CG2 THR A 20 -3.532 -7.842 -0.149 1.00 0.00 C ATOM 0 H THR A 20 -2.891 -5.961 -3.271 1.00 0.00 H new ATOM 0 HA THR A 20 -1.328 -6.631 -0.867 1.00 0.00 H new ATOM 0 HB THR A 20 -2.180 -9.026 -1.305 1.00 0.00 H new ATOM 0 HG1 THR A 20 -3.252 -8.293 -3.363 1.00 0.00 H new ATOM 0 HG21 THR A 20 -4.203 -8.672 0.070 1.00 0.00 H new ATOM 0 HG22 THR A 20 -2.822 -7.724 0.669 1.00 0.00 H new ATOM 0 HG23 THR A 20 -4.112 -6.926 -0.261 1.00 0.00 H new ATOM 115 N TYR A 21 0.495 -7.497 -2.321 1.00 0.00 N ATOM 116 CA TYR A 21 1.561 -8.074 -3.134 1.00 0.00 C ATOM 117 C TYR A 21 2.777 -8.469 -2.303 1.00 0.00 C ATOM 118 O TYR A 21 3.156 -7.789 -1.347 1.00 0.00 O ATOM 119 CB TYR A 21 1.959 -7.154 -4.304 1.00 0.00 C ATOM 120 CG TYR A 21 2.464 -5.759 -3.965 1.00 0.00 C ATOM 121 CD1 TYR A 21 2.313 -5.186 -2.704 1.00 0.00 C ATOM 122 CD2 TYR A 21 3.092 -5.004 -4.949 1.00 0.00 C ATOM 123 CE1 TYR A 21 2.772 -3.908 -2.444 1.00 0.00 C ATOM 124 CE2 TYR A 21 3.552 -3.730 -4.697 1.00 0.00 C ATOM 125 CZ TYR A 21 3.391 -3.186 -3.444 1.00 0.00 C ATOM 126 OH TYR A 21 3.843 -1.912 -3.192 1.00 0.00 O ATOM 0 H TYR A 21 0.798 -7.129 -1.419 1.00 0.00 H new ATOM 0 HA TYR A 21 1.154 -8.990 -3.562 1.00 0.00 H new ATOM 0 HB2 TYR A 21 2.733 -7.660 -4.881 1.00 0.00 H new ATOM 0 HB3 TYR A 21 1.093 -7.048 -4.957 1.00 0.00 H new ATOM 0 HD1 TYR A 21 1.830 -5.748 -1.918 1.00 0.00 H new ATOM 0 HD2 TYR A 21 3.222 -5.426 -5.934 1.00 0.00 H new ATOM 0 HE1 TYR A 21 2.647 -3.476 -1.462 1.00 0.00 H new ATOM 0 HE2 TYR A 21 4.036 -3.162 -5.478 1.00 0.00 H new ATOM 0 HH TYR A 21 3.935 -1.424 -4.037 1.00 0.00 H new ATOM 136 N THR A 22 3.363 -9.595 -2.673 1.00 0.00 N ATOM 137 CA THR A 22 4.569 -10.090 -2.037 1.00 0.00 C ATOM 138 C THR A 22 5.724 -10.065 -3.030 1.00 0.00 C ATOM 139 O THR A 22 6.023 -11.072 -3.672 1.00 0.00 O ATOM 140 CB THR A 22 4.364 -11.530 -1.534 1.00 0.00 C ATOM 141 OG1 THR A 22 3.145 -12.063 -2.072 1.00 0.00 O ATOM 142 CG2 THR A 22 4.314 -11.576 -0.016 1.00 0.00 C ATOM 0 H THR A 22 3.015 -10.191 -3.424 1.00 0.00 H new ATOM 0 HA THR A 22 4.799 -9.447 -1.187 1.00 0.00 H new ATOM 0 HB THR A 22 5.209 -12.132 -1.869 1.00 0.00 H new ATOM 0 HG1 THR A 22 3.019 -12.980 -1.751 1.00 0.00 H new ATOM 0 HG21 THR A 22 4.168 -12.605 0.312 1.00 0.00 H new ATOM 0 HG22 THR A 22 5.251 -11.195 0.391 1.00 0.00 H new ATOM 0 HG23 THR A 22 3.487 -10.961 0.340 1.00 0.00 H new ATOM 150 N GLY A 23 6.361 -8.914 -3.172 1.00 0.00 N ATOM 151 CA GLY A 23 7.391 -8.767 -4.180 1.00 0.00 C ATOM 152 C GLY A 23 8.683 -8.206 -3.632 1.00 0.00 C ATOM 153 O GLY A 23 8.908 -8.215 -2.421 1.00 0.00 O ATOM 0 H GLY A 23 6.185 -8.081 -2.610 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.588 -9.738 -4.634 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.025 -8.113 -4.972 1.00 0.00 H new ATOM 157 N THR A 24 9.527 -7.710 -4.524 1.00 0.00 N ATOM 158 CA THR A 24 10.818 -7.164 -4.145 1.00 0.00 C ATOM 159 C THR A 24 11.019 -5.779 -4.743 1.00 0.00 C ATOM 160 O THR A 24 10.673 -5.538 -5.900 1.00 0.00 O ATOM 161 CB THR A 24 11.964 -8.079 -4.614 1.00 0.00 C ATOM 162 OG1 THR A 24 11.566 -8.797 -5.789 1.00 0.00 O ATOM 163 CG2 THR A 24 12.363 -9.063 -3.527 1.00 0.00 C ATOM 0 H THR A 24 9.336 -7.675 -5.525 1.00 0.00 H new ATOM 0 HA THR A 24 10.832 -7.096 -3.057 1.00 0.00 H new ATOM 0 HB THR A 24 12.825 -7.451 -4.841 1.00 0.00 H new ATOM 0 HG1 THR A 24 12.300 -9.376 -6.083 1.00 0.00 H new ATOM 0 HG21 THR A 24 13.174 -9.695 -3.888 1.00 0.00 H new ATOM 0 HG22 THR A 24 12.695 -8.516 -2.645 1.00 0.00 H new ATOM 0 HG23 THR A 24 11.507 -9.685 -3.267 1.00 0.00 H new ATOM 171 N ILE A 25 11.566 -4.872 -3.951 1.00 0.00 N ATOM 172 CA ILE A 25 11.859 -3.528 -4.416 1.00 0.00 C ATOM 173 C ILE A 25 13.326 -3.427 -4.823 1.00 0.00 C ATOM 174 O ILE A 25 14.191 -4.063 -4.215 1.00 0.00 O ATOM 175 CB ILE A 25 11.523 -2.469 -3.335 1.00 0.00 C ATOM 176 CG1 ILE A 25 12.043 -1.090 -3.744 1.00 0.00 C ATOM 177 CG2 ILE A 25 12.096 -2.871 -1.985 1.00 0.00 C ATOM 178 CD1 ILE A 25 11.139 0.045 -3.335 1.00 0.00 C ATOM 0 H ILE A 25 11.817 -5.044 -2.978 1.00 0.00 H new ATOM 0 HA ILE A 25 11.232 -3.324 -5.284 1.00 0.00 H new ATOM 0 HB ILE A 25 10.438 -2.416 -3.246 1.00 0.00 H new ATOM 0 HG12 ILE A 25 13.027 -0.937 -3.301 1.00 0.00 H new ATOM 0 HG13 ILE A 25 12.173 -1.067 -4.826 1.00 0.00 H new ATOM 0 HG21 ILE A 25 11.847 -2.112 -1.243 1.00 0.00 H new ATOM 0 HG22 ILE A 25 11.673 -3.828 -1.681 1.00 0.00 H new ATOM 0 HG23 ILE A 25 13.180 -2.961 -2.062 1.00 0.00 H new ATOM 0 HD11 ILE A 25 11.573 0.991 -3.659 1.00 0.00 H new ATOM 0 HD12 ILE A 25 10.161 -0.083 -3.799 1.00 0.00 H new ATOM 0 HD13 ILE A 25 11.028 0.049 -2.251 1.00 0.00 H new ATOM 190 N GLN A 26 13.596 -2.643 -5.863 1.00 0.00 N ATOM 191 CA GLN A 26 14.951 -2.472 -6.375 1.00 0.00 C ATOM 192 C GLN A 26 15.842 -1.780 -5.346 1.00 0.00 C ATOM 193 O GLN A 26 15.360 -1.275 -4.335 1.00 0.00 O ATOM 194 CB GLN A 26 14.922 -1.662 -7.673 1.00 0.00 C ATOM 195 CG GLN A 26 15.055 -2.513 -8.929 1.00 0.00 C ATOM 196 CD GLN A 26 14.126 -3.712 -8.936 1.00 0.00 C ATOM 197 OE1 GLN A 26 14.568 -4.856 -8.831 1.00 0.00 O ATOM 198 NE2 GLN A 26 12.833 -3.462 -9.072 1.00 0.00 N ATOM 0 H GLN A 26 12.888 -2.113 -6.371 1.00 0.00 H new ATOM 0 HA GLN A 26 15.367 -3.459 -6.577 1.00 0.00 H new ATOM 0 HB2 GLN A 26 13.988 -1.103 -7.721 1.00 0.00 H new ATOM 0 HB3 GLN A 26 15.730 -0.931 -7.653 1.00 0.00 H new ATOM 0 HG2 GLN A 26 14.848 -1.895 -9.803 1.00 0.00 H new ATOM 0 HG3 GLN A 26 16.085 -2.858 -9.019 1.00 0.00 H new ATOM 0 HE21 GLN A 26 12.506 -2.500 -9.156 1.00 0.00 H new ATOM 0 HE22 GLN A 26 12.164 -4.232 -9.093 1.00 0.00 H new ATOM 207 N GLY A 27 17.139 -1.754 -5.613 1.00 0.00 N ATOM 208 CA GLY A 27 18.075 -1.162 -4.682 1.00 0.00 C ATOM 209 C GLY A 27 17.966 0.346 -4.633 1.00 0.00 C ATOM 210 O GLY A 27 18.138 1.017 -5.656 1.00 0.00 O ATOM 0 H GLY A 27 17.560 -2.134 -6.461 1.00 0.00 H new ATOM 0 HA2 GLY A 27 17.899 -1.569 -3.686 1.00 0.00 H new ATOM 0 HA3 GLY A 27 19.090 -1.441 -4.965 1.00 0.00 H new ATOM 214 N LYS A 28 17.675 0.869 -3.443 1.00 0.00 N ATOM 215 CA LYS A 28 17.569 2.309 -3.216 1.00 0.00 C ATOM 216 C LYS A 28 16.553 2.950 -4.158 1.00 0.00 C ATOM 217 O LYS A 28 16.912 3.720 -5.051 1.00 0.00 O ATOM 218 CB LYS A 28 18.938 2.975 -3.376 1.00 0.00 C ATOM 219 CG LYS A 28 19.553 3.416 -2.061 1.00 0.00 C ATOM 220 CD LYS A 28 20.642 2.460 -1.604 1.00 0.00 C ATOM 221 CE LYS A 28 21.478 3.067 -0.489 1.00 0.00 C ATOM 222 NZ LYS A 28 22.221 2.030 0.277 1.00 0.00 N ATOM 0 H LYS A 28 17.506 0.306 -2.609 1.00 0.00 H new ATOM 0 HA LYS A 28 17.218 2.461 -2.195 1.00 0.00 H new ATOM 0 HB2 LYS A 28 19.616 2.279 -3.870 1.00 0.00 H new ATOM 0 HB3 LYS A 28 18.838 3.841 -4.030 1.00 0.00 H new ATOM 0 HG2 LYS A 28 19.970 4.417 -2.171 1.00 0.00 H new ATOM 0 HG3 LYS A 28 18.777 3.476 -1.298 1.00 0.00 H new ATOM 0 HD2 LYS A 28 20.191 1.530 -1.258 1.00 0.00 H new ATOM 0 HD3 LYS A 28 21.285 2.208 -2.447 1.00 0.00 H new ATOM 0 HE2 LYS A 28 22.185 3.781 -0.913 1.00 0.00 H new ATOM 0 HE3 LYS A 28 20.830 3.624 0.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 23.129 2.421 0.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 21.658 1.737 1.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 22.396 1.206 -0.333 1.00 0.00 H new ATOM 236 N GLY A 29 15.286 2.625 -3.962 1.00 0.00 N ATOM 237 CA GLY A 29 14.249 3.182 -4.800 1.00 0.00 C ATOM 238 C GLY A 29 12.921 3.278 -4.084 1.00 0.00 C ATOM 239 O GLY A 29 12.842 3.061 -2.874 1.00 0.00 O ATOM 0 H GLY A 29 14.958 1.986 -3.238 1.00 0.00 H new ATOM 0 HA2 GLY A 29 14.550 4.174 -5.136 1.00 0.00 H new ATOM 0 HA3 GLY A 29 14.135 2.565 -5.691 1.00 0.00 H new ATOM 243 N GLU A 30 11.882 3.612 -4.830 1.00 0.00 N ATOM 244 CA GLU A 30 10.539 3.706 -4.284 1.00 0.00 C ATOM 245 C GLU A 30 9.537 3.205 -5.310 1.00 0.00 C ATOM 246 O GLU A 30 9.645 3.520 -6.493 1.00 0.00 O ATOM 247 CB GLU A 30 10.198 5.146 -3.876 1.00 0.00 C ATOM 248 CG GLU A 30 11.186 6.191 -4.375 1.00 0.00 C ATOM 249 CD GLU A 30 10.895 7.566 -3.817 1.00 0.00 C ATOM 250 OE1 GLU A 30 9.888 8.176 -4.226 1.00 0.00 O ATOM 251 OE2 GLU A 30 11.665 8.044 -2.960 1.00 0.00 O ATOM 0 H GLU A 30 11.945 3.825 -5.826 1.00 0.00 H new ATOM 0 HA GLU A 30 10.490 3.086 -3.389 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.206 5.392 -4.253 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.148 5.201 -2.789 1.00 0.00 H new ATOM 0 HG2 GLU A 30 12.197 5.894 -4.096 1.00 0.00 H new ATOM 0 HG3 GLU A 30 11.153 6.228 -5.464 1.00 0.00 H new ATOM 258 N VAL A 31 8.585 2.403 -4.861 1.00 0.00 N ATOM 259 CA VAL A 31 7.566 1.864 -5.747 1.00 0.00 C ATOM 260 C VAL A 31 6.174 2.142 -5.202 1.00 0.00 C ATOM 261 O VAL A 31 6.002 2.417 -4.012 1.00 0.00 O ATOM 262 CB VAL A 31 7.727 0.342 -5.958 1.00 0.00 C ATOM 263 CG1 VAL A 31 8.981 0.036 -6.764 1.00 0.00 C ATOM 264 CG2 VAL A 31 7.746 -0.392 -4.622 1.00 0.00 C ATOM 0 H VAL A 31 8.497 2.111 -3.888 1.00 0.00 H new ATOM 0 HA VAL A 31 7.694 2.363 -6.708 1.00 0.00 H new ATOM 0 HB VAL A 31 6.867 -0.013 -6.526 1.00 0.00 H new ATOM 0 HG11 VAL A 31 9.073 -1.042 -6.899 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.914 0.520 -7.738 1.00 0.00 H new ATOM 0 HG13 VAL A 31 9.856 0.410 -6.232 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.860 -1.462 -4.796 1.00 0.00 H new ATOM 0 HG22 VAL A 31 8.580 -0.031 -4.020 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.811 -0.208 -4.093 1.00 0.00 H new ATOM 274 N CYS A 32 5.191 2.080 -6.083 1.00 0.00 N ATOM 275 CA CYS A 32 3.798 2.240 -5.701 1.00 0.00 C ATOM 276 C CYS A 32 3.161 0.871 -5.477 1.00 0.00 C ATOM 277 O CYS A 32 3.815 -0.161 -5.648 1.00 0.00 O ATOM 278 CB CYS A 32 3.040 2.997 -6.796 1.00 0.00 C ATOM 279 SG CYS A 32 4.108 3.682 -8.103 1.00 0.00 S ATOM 0 H CYS A 32 5.334 1.918 -7.080 1.00 0.00 H new ATOM 0 HA CYS A 32 3.746 2.812 -4.774 1.00 0.00 H new ATOM 0 HB2 CYS A 32 2.313 2.324 -7.251 1.00 0.00 H new ATOM 0 HB3 CYS A 32 2.478 3.811 -6.338 1.00 0.00 H new ATOM 0 HG CYS A 32 4.052 4.980 -8.073 1.00 0.00 H new ATOM 284 N ILE A 33 1.900 0.854 -5.076 1.00 0.00 N ATOM 285 CA ILE A 33 1.179 -0.400 -4.959 1.00 0.00 C ATOM 286 C ILE A 33 0.673 -0.823 -6.332 1.00 0.00 C ATOM 287 O ILE A 33 0.051 -0.030 -7.040 1.00 0.00 O ATOM 288 CB ILE A 33 0.017 -0.312 -3.929 1.00 0.00 C ATOM 289 CG1 ILE A 33 0.098 -1.492 -2.961 1.00 0.00 C ATOM 290 CG2 ILE A 33 -1.355 -0.271 -4.599 1.00 0.00 C ATOM 291 CD1 ILE A 33 -0.187 -2.833 -3.605 1.00 0.00 C ATOM 0 H ILE A 33 1.361 1.684 -4.829 1.00 0.00 H new ATOM 0 HA ILE A 33 1.866 -1.158 -4.582 1.00 0.00 H new ATOM 0 HB ILE A 33 0.132 0.624 -3.383 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.093 -1.517 -2.516 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.610 -1.332 -2.148 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.131 -0.210 -3.836 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.416 0.601 -5.250 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.498 -1.175 -5.190 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.110 -3.620 -2.855 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.193 -2.828 -4.025 1.00 0.00 H new ATOM 0 HD13 ILE A 33 0.537 -3.017 -4.399 1.00 0.00 H new ATOM 476 N LEU A 46 -9.278 2.186 6.569 1.00 0.00 N ATOM 477 CA LEU A 46 -7.956 1.919 6.075 1.00 0.00 C ATOM 478 C LEU A 46 -7.396 0.680 6.771 1.00 0.00 C ATOM 479 O LEU A 46 -7.433 0.597 7.999 1.00 0.00 O ATOM 480 CB LEU A 46 -7.057 3.119 6.367 1.00 0.00 C ATOM 481 CG LEU A 46 -7.578 4.495 5.941 1.00 0.00 C ATOM 482 CD1 LEU A 46 -6.831 5.580 6.692 1.00 0.00 C ATOM 483 CD2 LEU A 46 -7.405 4.700 4.447 1.00 0.00 C ATOM 0 HA LEU A 46 -7.994 1.745 5.000 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.865 3.146 7.440 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -6.098 2.952 5.876 1.00 0.00 H new ATOM 0 HG LEU A 46 -8.641 4.549 6.178 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -7.204 6.557 6.386 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.984 5.452 7.764 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -5.767 5.512 6.467 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -7.782 5.684 4.169 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -6.348 4.631 4.190 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -7.960 3.933 3.908 1.00 0.00 H new ATOM 495 N TYR A 47 -6.910 -0.293 6.008 1.00 0.00 N ATOM 496 CA TYR A 47 -6.216 -1.423 6.609 1.00 0.00 C ATOM 497 C TYR A 47 -5.144 -1.994 5.691 1.00 0.00 C ATOM 498 O TYR A 47 -5.441 -2.474 4.600 1.00 0.00 O ATOM 499 CB TYR A 47 -7.177 -2.536 7.015 1.00 0.00 C ATOM 500 CG TYR A 47 -6.478 -3.615 7.811 1.00 0.00 C ATOM 501 CD1 TYR A 47 -5.625 -3.282 8.858 1.00 0.00 C ATOM 502 CD2 TYR A 47 -6.651 -4.956 7.508 1.00 0.00 C ATOM 503 CE1 TYR A 47 -4.967 -4.256 9.579 1.00 0.00 C ATOM 504 CE2 TYR A 47 -5.996 -5.940 8.225 1.00 0.00 C ATOM 505 CZ TYR A 47 -5.155 -5.584 9.262 1.00 0.00 C ATOM 506 OH TYR A 47 -4.502 -6.555 9.987 1.00 0.00 O ATOM 0 H TYR A 47 -6.982 -0.322 4.991 1.00 0.00 H new ATOM 0 HA TYR A 47 -5.735 -1.030 7.505 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -7.991 -2.117 7.607 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -7.625 -2.974 6.123 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -5.475 -2.243 9.111 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -7.308 -5.237 6.698 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -4.307 -3.979 10.388 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -6.141 -6.981 7.976 1.00 0.00 H new ATOM 0 HH TYR A 47 -4.742 -7.439 9.639 1.00 0.00 H new ATOM 516 N ALA A 48 -3.898 -1.931 6.146 1.00 0.00 N ATOM 517 CA ALA A 48 -2.790 -2.563 5.456 1.00 0.00 C ATOM 518 C ALA A 48 -1.660 -2.840 6.433 1.00 0.00 C ATOM 519 O ALA A 48 -1.532 -2.159 7.450 1.00 0.00 O ATOM 520 CB ALA A 48 -2.292 -1.699 4.313 1.00 0.00 C ATOM 0 H ALA A 48 -3.632 -1.441 7.001 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.143 -3.506 5.038 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.461 -2.199 3.814 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.100 -1.539 3.599 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.956 -0.738 4.703 1.00 0.00 H new ATOM 526 N VAL A 49 -0.865 -3.852 6.140 1.00 0.00 N ATOM 527 CA VAL A 49 0.341 -4.124 6.907 1.00 0.00 C ATOM 528 C VAL A 49 1.493 -4.420 5.958 1.00 0.00 C ATOM 529 O VAL A 49 1.328 -5.163 4.991 1.00 0.00 O ATOM 530 CB VAL A 49 0.177 -5.322 7.872 1.00 0.00 C ATOM 531 CG1 VAL A 49 1.430 -5.494 8.721 1.00 0.00 C ATOM 532 CG2 VAL A 49 -1.045 -5.151 8.760 1.00 0.00 C ATOM 0 H VAL A 49 -1.032 -4.503 5.373 1.00 0.00 H new ATOM 0 HA VAL A 49 0.543 -3.236 7.506 1.00 0.00 H new ATOM 0 HB VAL A 49 0.032 -6.220 7.271 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.299 -6.341 9.395 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.287 -5.675 8.072 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.601 -4.589 9.304 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -1.133 -6.009 9.427 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.941 -4.241 9.351 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -1.939 -5.080 8.140 1.00 0.00 H new ATOM 542 N LEU A 50 2.646 -3.831 6.223 1.00 0.00 N ATOM 543 CA LEU A 50 3.830 -4.097 5.427 1.00 0.00 C ATOM 544 C LEU A 50 4.818 -4.920 6.237 1.00 0.00 C ATOM 545 O LEU A 50 5.295 -4.469 7.275 1.00 0.00 O ATOM 546 CB LEU A 50 4.490 -2.790 4.977 1.00 0.00 C ATOM 547 CG LEU A 50 5.895 -2.945 4.386 1.00 0.00 C ATOM 548 CD1 LEU A 50 5.867 -2.752 2.877 1.00 0.00 C ATOM 549 CD2 LEU A 50 6.860 -1.964 5.041 1.00 0.00 C ATOM 0 H LEU A 50 2.787 -3.166 6.983 1.00 0.00 H new ATOM 0 HA LEU A 50 3.531 -4.655 4.539 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.850 -2.314 4.234 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.544 -2.115 5.831 1.00 0.00 H new ATOM 0 HG LEU A 50 6.246 -3.957 4.590 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.874 -2.866 2.477 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.211 -3.497 2.427 1.00 0.00 H new ATOM 0 HD13 LEU A 50 5.495 -1.754 2.645 1.00 0.00 H new ATOM 0 HD21 LEU A 50 7.853 -2.088 4.609 1.00 0.00 H new ATOM 0 HD22 LEU A 50 6.514 -0.945 4.870 1.00 0.00 H new ATOM 0 HD23 LEU A 50 6.903 -2.157 6.113 1.00 0.00 H new ATOM 561 N HIS A 51 5.091 -6.132 5.780 1.00 0.00 N ATOM 562 CA HIS A 51 6.098 -6.977 6.409 1.00 0.00 C ATOM 563 C HIS A 51 7.405 -6.867 5.646 1.00 0.00 C ATOM 564 O HIS A 51 7.404 -6.624 4.438 1.00 0.00 O ATOM 565 CB HIS A 51 5.657 -8.442 6.439 1.00 0.00 C ATOM 566 CG HIS A 51 4.387 -8.688 7.188 1.00 0.00 C ATOM 567 ND1 HIS A 51 4.292 -8.635 8.558 1.00 0.00 N ATOM 568 CD2 HIS A 51 3.152 -9.002 6.739 1.00 0.00 C ATOM 569 CE1 HIS A 51 3.055 -8.906 8.921 1.00 0.00 C ATOM 570 NE2 HIS A 51 2.339 -9.133 7.835 1.00 0.00 N ATOM 0 H HIS A 51 4.629 -6.555 4.975 1.00 0.00 H new ATOM 0 HA HIS A 51 6.230 -6.635 7.435 1.00 0.00 H new ATOM 0 HB2 HIS A 51 5.534 -8.793 5.414 1.00 0.00 H new ATOM 0 HB3 HIS A 51 6.451 -9.039 6.888 1.00 0.00 H new ATOM 0 HD1 HIS A 51 5.059 -8.419 9.194 1.00 0.00 H new ATOM 0 HD2 HIS A 51 2.859 -9.127 5.707 1.00 0.00 H new ATOM 0 HE1 HIS A 51 2.688 -8.937 9.936 1.00 0.00 H new ATOM 579 N SER A 52 8.509 -7.043 6.343 1.00 0.00 N ATOM 580 CA SER A 52 9.819 -6.972 5.716 1.00 0.00 C ATOM 581 C SER A 52 10.629 -8.229 6.019 1.00 0.00 C ATOM 582 O SER A 52 10.793 -8.607 7.179 1.00 0.00 O ATOM 583 CB SER A 52 10.559 -5.724 6.201 1.00 0.00 C ATOM 584 OG SER A 52 9.754 -4.566 6.039 1.00 0.00 O ATOM 0 H SER A 52 8.528 -7.236 7.344 1.00 0.00 H new ATOM 0 HA SER A 52 9.689 -6.907 4.636 1.00 0.00 H new ATOM 0 HB2 SER A 52 10.829 -5.841 7.251 1.00 0.00 H new ATOM 0 HB3 SER A 52 11.488 -5.607 5.644 1.00 0.00 H new ATOM 0 HG SER A 52 10.254 -3.887 5.539 1.00 0.00 H new ATOM 590 N THR A 53 11.109 -8.886 4.969 1.00 0.00 N ATOM 591 CA THR A 53 11.920 -10.083 5.124 1.00 0.00 C ATOM 592 C THR A 53 13.072 -10.096 4.122 1.00 0.00 C ATOM 593 O THR A 53 12.920 -10.543 2.983 1.00 0.00 O ATOM 594 CB THR A 53 11.070 -11.353 4.950 1.00 0.00 C ATOM 595 OG1 THR A 53 9.731 -10.999 4.572 1.00 0.00 O ATOM 596 CG2 THR A 53 11.042 -12.159 6.239 1.00 0.00 C ATOM 0 H THR A 53 10.949 -8.608 4.001 1.00 0.00 H new ATOM 0 HA THR A 53 12.330 -10.070 6.134 1.00 0.00 H new ATOM 0 HB THR A 53 11.518 -11.963 4.165 1.00 0.00 H new ATOM 0 HG1 THR A 53 9.728 -10.668 3.650 1.00 0.00 H new ATOM 0 HG21 THR A 53 10.436 -13.053 6.096 1.00 0.00 H new ATOM 0 HG22 THR A 53 12.058 -12.448 6.509 1.00 0.00 H new ATOM 0 HG23 THR A 53 10.613 -11.554 7.037 1.00 0.00 H new ATOM 604 N ASN A 54 14.219 -9.580 4.545 1.00 0.00 N ATOM 605 CA ASN A 54 15.401 -9.519 3.692 1.00 0.00 C ATOM 606 C ASN A 54 16.632 -9.163 4.524 1.00 0.00 C ATOM 607 O ASN A 54 16.658 -9.417 5.727 1.00 0.00 O ATOM 608 CB ASN A 54 15.203 -8.509 2.548 1.00 0.00 C ATOM 609 CG ASN A 54 14.992 -7.086 3.032 1.00 0.00 C ATOM 610 OD1 ASN A 54 15.932 -6.301 3.108 1.00 0.00 O ATOM 611 ND2 ASN A 54 13.752 -6.739 3.342 1.00 0.00 N ATOM 0 H ASN A 54 14.357 -9.195 5.480 1.00 0.00 H new ATOM 0 HA ASN A 54 15.555 -10.501 3.245 1.00 0.00 H new ATOM 0 HB2 ASN A 54 16.074 -8.537 1.893 1.00 0.00 H new ATOM 0 HB3 ASN A 54 14.344 -8.813 1.949 1.00 0.00 H new ATOM 0 HD21 ASN A 54 13.552 -5.790 3.657 1.00 0.00 H new ATOM 0 HD22 ASN A 54 12.997 -7.421 3.266 1.00 0.00 H new ATOM 618 N VAL A 55 17.638 -8.572 3.884 1.00 0.00 N ATOM 619 CA VAL A 55 18.891 -8.225 4.548 1.00 0.00 C ATOM 620 C VAL A 55 18.652 -7.178 5.630 1.00 0.00 C ATOM 621 O VAL A 55 18.586 -7.501 6.817 1.00 0.00 O ATOM 622 CB VAL A 55 19.932 -7.691 3.538 1.00 0.00 C ATOM 623 CG1 VAL A 55 21.296 -7.537 4.192 1.00 0.00 C ATOM 624 CG2 VAL A 55 20.023 -8.604 2.326 1.00 0.00 C ATOM 0 H VAL A 55 17.608 -8.321 2.896 1.00 0.00 H new ATOM 0 HA VAL A 55 19.282 -9.134 5.004 1.00 0.00 H new ATOM 0 HB VAL A 55 19.602 -6.707 3.205 1.00 0.00 H new ATOM 0 HG11 VAL A 55 22.010 -7.160 3.460 1.00 0.00 H new ATOM 0 HG12 VAL A 55 21.224 -6.836 5.023 1.00 0.00 H new ATOM 0 HG13 VAL A 55 21.633 -8.505 4.562 1.00 0.00 H new ATOM 0 HG21 VAL A 55 20.761 -8.210 1.628 1.00 0.00 H new ATOM 0 HG22 VAL A 55 20.322 -9.603 2.644 1.00 0.00 H new ATOM 0 HG23 VAL A 55 19.051 -8.655 1.835 1.00 0.00 H new ATOM 634 N ASN A 56 18.515 -5.929 5.219 1.00 0.00 N ATOM 635 CA ASN A 56 18.221 -4.856 6.151 1.00 0.00 C ATOM 636 C ASN A 56 16.794 -4.376 5.959 1.00 0.00 C ATOM 637 O ASN A 56 16.416 -3.902 4.886 1.00 0.00 O ATOM 638 CB ASN A 56 19.204 -3.689 6.000 1.00 0.00 C ATOM 639 CG ASN A 56 19.272 -3.129 4.593 1.00 0.00 C ATOM 640 OD1 ASN A 56 19.645 -3.824 3.649 1.00 0.00 O ATOM 641 ND2 ASN A 56 18.926 -1.858 4.448 1.00 0.00 N ATOM 0 H ASN A 56 18.603 -5.634 4.247 1.00 0.00 H new ATOM 0 HA ASN A 56 18.333 -5.250 7.161 1.00 0.00 H new ATOM 0 HB2 ASN A 56 18.916 -2.892 6.685 1.00 0.00 H new ATOM 0 HB3 ASN A 56 20.198 -4.022 6.298 1.00 0.00 H new ATOM 0 HD21 ASN A 56 18.964 -1.421 3.527 1.00 0.00 H new ATOM 0 HD22 ASN A 56 18.622 -1.317 5.257 1.00 0.00 H new ATOM 648 N ALA A 57 15.997 -4.519 7.002 1.00 0.00 N ATOM 649 CA ALA A 57 14.611 -4.089 6.970 1.00 0.00 C ATOM 650 C ALA A 57 14.516 -2.571 7.092 1.00 0.00 C ATOM 651 O ALA A 57 14.003 -2.037 8.075 1.00 0.00 O ATOM 652 CB ALA A 57 13.821 -4.773 8.076 1.00 0.00 C ATOM 0 H ALA A 57 16.288 -4.933 7.888 1.00 0.00 H new ATOM 0 HA ALA A 57 14.179 -4.377 6.012 1.00 0.00 H new ATOM 0 HB1 ALA A 57 12.783 -4.441 8.040 1.00 0.00 H new ATOM 0 HB2 ALA A 57 13.862 -5.853 7.937 1.00 0.00 H new ATOM 0 HB3 ALA A 57 14.251 -4.515 9.044 1.00 0.00 H new ATOM 658 N ASP A 58 15.040 -1.880 6.092 1.00 0.00 N ATOM 659 CA ASP A 58 14.990 -0.427 6.050 1.00 0.00 C ATOM 660 C ASP A 58 14.013 0.025 4.981 1.00 0.00 C ATOM 661 O ASP A 58 14.413 0.485 3.909 1.00 0.00 O ATOM 662 CB ASP A 58 16.375 0.159 5.768 1.00 0.00 C ATOM 663 CG ASP A 58 16.548 1.548 6.354 1.00 0.00 C ATOM 664 OD1 ASP A 58 15.632 2.388 6.199 1.00 0.00 O ATOM 665 OD2 ASP A 58 17.607 1.805 6.968 1.00 0.00 O ATOM 0 H ASP A 58 15.508 -2.306 5.292 1.00 0.00 H new ATOM 0 HA ASP A 58 14.656 -0.067 7.023 1.00 0.00 H new ATOM 0 HB2 ASP A 58 17.137 -0.503 6.180 1.00 0.00 H new ATOM 0 HB3 ASP A 58 16.536 0.200 4.691 1.00 0.00 H new ATOM 670 N MET A 59 12.732 -0.125 5.271 1.00 0.00 N ATOM 671 CA MET A 59 11.692 0.250 4.334 1.00 0.00 C ATOM 672 C MET A 59 10.802 1.321 4.942 1.00 0.00 C ATOM 673 O MET A 59 10.273 1.155 6.040 1.00 0.00 O ATOM 674 CB MET A 59 10.855 -0.970 3.946 1.00 0.00 C ATOM 675 CG MET A 59 10.809 -1.224 2.449 1.00 0.00 C ATOM 676 SD MET A 59 10.112 -2.835 2.036 1.00 0.00 S ATOM 677 CE MET A 59 11.410 -3.925 2.611 1.00 0.00 C ATOM 0 H MET A 59 12.388 -0.506 6.153 1.00 0.00 H new ATOM 0 HA MET A 59 12.163 0.648 3.435 1.00 0.00 H new ATOM 0 HB2 MET A 59 11.260 -1.851 4.443 1.00 0.00 H new ATOM 0 HB3 MET A 59 9.838 -0.835 4.315 1.00 0.00 H new ATOM 0 HG2 MET A 59 10.217 -0.444 1.970 1.00 0.00 H new ATOM 0 HG3 MET A 59 11.818 -1.154 2.042 1.00 0.00 H new ATOM 0 HE1 MET A 59 11.504 -4.770 1.929 1.00 0.00 H new ATOM 0 HE2 MET A 59 12.353 -3.380 2.646 1.00 0.00 H new ATOM 0 HE3 MET A 59 11.164 -4.289 3.608 1.00 0.00 H new ATOM 687 N THR A 60 10.661 2.422 4.236 1.00 0.00 N ATOM 688 CA THR A 60 9.804 3.501 4.671 1.00 0.00 C ATOM 689 C THR A 60 8.443 3.387 4.000 1.00 0.00 C ATOM 690 O THR A 60 8.307 3.649 2.804 1.00 0.00 O ATOM 691 CB THR A 60 10.431 4.865 4.336 1.00 0.00 C ATOM 692 OG1 THR A 60 11.839 4.707 4.098 1.00 0.00 O ATOM 693 CG2 THR A 60 10.214 5.853 5.470 1.00 0.00 C ATOM 0 H THR A 60 11.135 2.593 3.349 1.00 0.00 H new ATOM 0 HA THR A 60 9.684 3.428 5.752 1.00 0.00 H new ATOM 0 HB THR A 60 9.949 5.254 3.439 1.00 0.00 H new ATOM 0 HG1 THR A 60 12.234 5.578 3.883 1.00 0.00 H new ATOM 0 HG21 THR A 60 10.666 6.810 5.210 1.00 0.00 H new ATOM 0 HG22 THR A 60 9.145 5.989 5.634 1.00 0.00 H new ATOM 0 HG23 THR A 60 10.675 5.469 6.380 1.00 0.00 H new ATOM 701 N LEU A 61 7.445 2.971 4.765 1.00 0.00 N ATOM 702 CA LEU A 61 6.097 2.837 4.239 1.00 0.00 C ATOM 703 C LEU A 61 5.353 4.143 4.425 1.00 0.00 C ATOM 704 O LEU A 61 5.166 4.593 5.550 1.00 0.00 O ATOM 705 CB LEU A 61 5.347 1.712 4.955 1.00 0.00 C ATOM 706 CG LEU A 61 4.536 0.770 4.058 1.00 0.00 C ATOM 707 CD1 LEU A 61 3.166 0.504 4.663 1.00 0.00 C ATOM 708 CD2 LEU A 61 4.391 1.328 2.648 1.00 0.00 C ATOM 0 H LEU A 61 7.543 2.721 5.749 1.00 0.00 H new ATOM 0 HA LEU A 61 6.157 2.593 3.178 1.00 0.00 H new ATOM 0 HB2 LEU A 61 6.070 1.117 5.513 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.671 2.159 5.684 1.00 0.00 H new ATOM 0 HG LEU A 61 5.081 -0.171 3.991 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.605 -0.167 4.012 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.285 0.043 5.644 1.00 0.00 H new ATOM 0 HD13 LEU A 61 2.625 1.445 4.767 1.00 0.00 H new ATOM 0 HD21 LEU A 61 3.811 0.634 2.040 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.880 2.290 2.688 1.00 0.00 H new ATOM 0 HD23 LEU A 61 5.378 1.460 2.206 1.00 0.00 H new ATOM 720 N ILE A 62 4.950 4.770 3.337 1.00 0.00 N ATOM 721 CA ILE A 62 4.236 6.025 3.446 1.00 0.00 C ATOM 722 C ILE A 62 2.837 5.940 2.831 1.00 0.00 C ATOM 723 O ILE A 62 2.641 5.415 1.730 1.00 0.00 O ATOM 724 CB ILE A 62 5.043 7.214 2.851 1.00 0.00 C ATOM 725 CG1 ILE A 62 4.404 7.749 1.569 1.00 0.00 C ATOM 726 CG2 ILE A 62 6.492 6.814 2.597 1.00 0.00 C ATOM 727 CD1 ILE A 62 5.205 8.842 0.911 1.00 0.00 C ATOM 0 H ILE A 62 5.101 4.438 2.384 1.00 0.00 H new ATOM 0 HA ILE A 62 4.115 6.221 4.511 1.00 0.00 H new ATOM 0 HB ILE A 62 5.027 8.016 3.589 1.00 0.00 H new ATOM 0 HG12 ILE A 62 4.278 6.927 0.864 1.00 0.00 H new ATOM 0 HG13 ILE A 62 3.408 8.127 1.799 1.00 0.00 H new ATOM 0 HG21 ILE A 62 7.036 7.662 2.181 1.00 0.00 H new ATOM 0 HG22 ILE A 62 6.956 6.511 3.536 1.00 0.00 H new ATOM 0 HG23 ILE A 62 6.522 5.983 1.892 1.00 0.00 H new ATOM 0 HD11 ILE A 62 4.694 9.175 0.008 1.00 0.00 H new ATOM 0 HD12 ILE A 62 5.309 9.681 1.599 1.00 0.00 H new ATOM 0 HD13 ILE A 62 6.193 8.462 0.650 1.00 0.00 H new ATOM 739 N LEU A 63 1.874 6.428 3.595 1.00 0.00 N ATOM 740 CA LEU A 63 0.494 6.551 3.157 1.00 0.00 C ATOM 741 C LEU A 63 0.308 7.920 2.526 1.00 0.00 C ATOM 742 O LEU A 63 0.247 8.930 3.228 1.00 0.00 O ATOM 743 CB LEU A 63 -0.438 6.394 4.363 1.00 0.00 C ATOM 744 CG LEU A 63 -1.782 5.694 4.119 1.00 0.00 C ATOM 745 CD1 LEU A 63 -2.888 6.367 4.919 1.00 0.00 C ATOM 746 CD2 LEU A 63 -2.145 5.655 2.640 1.00 0.00 C ATOM 0 H LEU A 63 2.031 6.754 4.549 1.00 0.00 H new ATOM 0 HA LEU A 63 0.257 5.777 2.427 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.097 5.840 5.135 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.641 7.386 4.765 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.676 4.663 4.457 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.833 5.857 4.733 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.651 6.316 5.982 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.973 7.411 4.616 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.103 5.151 2.514 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.217 6.673 2.256 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.375 5.114 2.091 1.00 0.00 H new ATOM 758 N LEU A 64 0.251 7.961 1.210 1.00 0.00 N ATOM 759 CA LEU A 64 0.196 9.226 0.502 1.00 0.00 C ATOM 760 C LEU A 64 -0.911 9.224 -0.541 1.00 0.00 C ATOM 761 O LEU A 64 -1.234 8.185 -1.101 1.00 0.00 O ATOM 762 CB LEU A 64 1.555 9.505 -0.147 1.00 0.00 C ATOM 763 CG LEU A 64 1.527 9.882 -1.627 1.00 0.00 C ATOM 764 CD1 LEU A 64 1.628 11.386 -1.801 1.00 0.00 C ATOM 765 CD2 LEU A 64 2.658 9.182 -2.357 1.00 0.00 C ATOM 0 H LEU A 64 0.242 7.136 0.610 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.030 10.019 1.215 1.00 0.00 H new ATOM 0 HB2 LEU A 64 2.039 10.312 0.404 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.180 8.619 -0.030 1.00 0.00 H new ATOM 0 HG LEU A 64 0.578 9.558 -2.054 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.606 11.632 -2.863 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.788 11.867 -1.300 1.00 0.00 H new ATOM 0 HD13 LEU A 64 2.562 11.741 -1.366 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.634 9.454 -3.412 1.00 0.00 H new ATOM 0 HD22 LEU A 64 3.612 9.485 -1.926 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.542 8.103 -2.258 1.00 0.00 H new ATOM 777 N ARG A 65 -1.492 10.391 -0.791 1.00 0.00 N ATOM 778 CA ARG A 65 -2.470 10.535 -1.852 1.00 0.00 C ATOM 779 C ARG A 65 -2.031 11.656 -2.793 1.00 0.00 C ATOM 780 O ARG A 65 -2.002 12.837 -2.442 1.00 0.00 O ATOM 781 CB ARG A 65 -3.888 10.746 -1.274 1.00 0.00 C ATOM 782 CG ARG A 65 -4.411 12.177 -1.279 1.00 0.00 C ATOM 783 CD ARG A 65 -4.517 12.740 0.130 1.00 0.00 C ATOM 784 NE ARG A 65 -5.434 13.878 0.195 1.00 0.00 N ATOM 785 CZ ARG A 65 -6.690 13.805 0.633 1.00 0.00 C ATOM 786 NH1 ARG A 65 -7.177 12.660 1.095 1.00 0.00 N ATOM 787 NH2 ARG A 65 -7.459 14.883 0.622 1.00 0.00 N ATOM 0 H ARG A 65 -1.301 11.248 -0.272 1.00 0.00 H new ATOM 0 HA ARG A 65 -2.523 9.616 -2.436 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -4.584 10.125 -1.838 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -3.897 10.382 -0.247 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -3.748 12.805 -1.873 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -5.390 12.205 -1.757 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -4.859 11.959 0.808 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -3.530 13.049 0.473 1.00 0.00 H new ATOM 0 HE ARG A 65 -5.089 14.786 -0.115 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -6.588 11.827 1.117 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -8.140 12.613 1.428 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -7.090 15.769 0.278 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -8.421 14.827 0.957 1.00 0.00 H new ATOM 801 N ASN A 66 -1.586 11.245 -3.962 1.00 0.00 N ATOM 802 CA ASN A 66 -1.122 12.162 -4.987 1.00 0.00 C ATOM 803 C ASN A 66 -1.693 11.728 -6.329 1.00 0.00 C ATOM 804 O ASN A 66 -1.837 10.532 -6.566 1.00 0.00 O ATOM 805 CB ASN A 66 0.412 12.169 -4.990 1.00 0.00 C ATOM 806 CG ASN A 66 1.013 12.798 -6.223 1.00 0.00 C ATOM 807 OD1 ASN A 66 1.274 11.978 -7.221 1.00 0.00 O flip ATOM 808 ND2 ASN A 66 1.261 14.002 -6.265 1.00 0.00 N flip ATOM 0 H ASN A 66 -1.535 10.262 -4.231 1.00 0.00 H new ATOM 0 HA ASN A 66 -1.462 13.179 -4.789 1.00 0.00 H new ATOM 0 HB2 ASN A 66 0.766 12.706 -4.110 1.00 0.00 H new ATOM 0 HB3 ASN A 66 0.771 11.144 -4.904 1.00 0.00 H new ATOM 0 HD21 ASN A 66 1.040 14.596 -5.466 1.00 0.00 H new ATOM 0 HD22 ASN A 66 1.687 14.406 -7.099 1.00 0.00 H new ATOM 815 N VAL A 67 -2.031 12.665 -7.205 1.00 0.00 N ATOM 816 CA VAL A 67 -2.612 12.288 -8.487 1.00 0.00 C ATOM 817 C VAL A 67 -2.645 13.460 -9.470 1.00 0.00 C ATOM 818 O VAL A 67 -2.754 14.618 -9.069 1.00 0.00 O ATOM 819 CB VAL A 67 -4.024 11.691 -8.282 1.00 0.00 C ATOM 820 CG1 VAL A 67 -5.028 12.763 -7.877 1.00 0.00 C ATOM 821 CG2 VAL A 67 -4.490 10.953 -9.530 1.00 0.00 C ATOM 0 H VAL A 67 -1.917 13.668 -7.058 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.972 11.525 -8.929 1.00 0.00 H new ATOM 0 HB VAL A 67 -3.962 10.971 -7.466 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -6.010 12.309 -7.741 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -4.710 13.225 -6.943 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -5.084 13.522 -8.657 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -5.485 10.543 -9.360 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -4.522 11.645 -10.371 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -3.797 10.142 -9.753 1.00 0.00 H new ATOM 831 N GLY A 68 -2.509 13.139 -10.754 1.00 0.00 N ATOM 832 CA GLY A 68 -2.489 14.152 -11.790 1.00 0.00 C ATOM 833 C GLY A 68 -1.090 14.679 -12.040 1.00 0.00 C ATOM 834 O GLY A 68 -0.811 15.851 -11.789 1.00 0.00 O ATOM 0 H GLY A 68 -2.411 12.183 -11.096 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -2.890 13.734 -12.714 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -3.142 14.977 -11.504 1.00 0.00 H new ATOM 838 N GLY A 69 -0.204 13.812 -12.526 1.00 0.00 N ATOM 839 CA GLY A 69 1.190 14.188 -12.695 1.00 0.00 C ATOM 840 C GLY A 69 2.081 12.993 -12.970 1.00 0.00 C ATOM 841 O GLY A 69 1.608 11.966 -13.457 1.00 0.00 O ATOM 0 H GLY A 69 -0.427 12.857 -12.806 1.00 0.00 H new ATOM 0 HA2 GLY A 69 1.275 14.898 -13.518 1.00 0.00 H new ATOM 0 HA3 GLY A 69 1.538 14.698 -11.797 1.00 0.00 H new ATOM 845 N ASN A 70 3.362 13.118 -12.646 1.00 0.00 N ATOM 846 CA ASN A 70 4.308 12.018 -12.794 1.00 0.00 C ATOM 847 C ASN A 70 5.303 12.016 -11.635 1.00 0.00 C ATOM 848 O ASN A 70 6.480 12.339 -11.801 1.00 0.00 O ATOM 849 CB ASN A 70 5.049 12.111 -14.131 1.00 0.00 C ATOM 850 CG ASN A 70 5.660 10.784 -14.548 1.00 0.00 C ATOM 851 OD1 ASN A 70 6.803 10.480 -14.215 1.00 0.00 O ATOM 852 ND2 ASN A 70 4.903 9.989 -15.288 1.00 0.00 N ATOM 0 H ASN A 70 3.772 13.976 -12.277 1.00 0.00 H new ATOM 0 HA ASN A 70 3.749 11.083 -12.779 1.00 0.00 H new ATOM 0 HB2 ASN A 70 4.358 12.448 -14.904 1.00 0.00 H new ATOM 0 HB3 ASN A 70 5.835 12.862 -14.056 1.00 0.00 H new ATOM 0 HD21 ASN A 70 5.264 9.088 -15.602 1.00 0.00 H new ATOM 0 HD22 ASN A 70 3.959 10.277 -15.544 1.00 0.00 H new ATOM 859 N GLY A 71 4.804 11.682 -10.455 1.00 0.00 N ATOM 860 CA GLY A 71 5.630 11.608 -9.268 1.00 0.00 C ATOM 861 C GLY A 71 4.785 11.287 -8.058 1.00 0.00 C ATOM 862 O GLY A 71 3.575 11.128 -8.193 1.00 0.00 O ATOM 0 H GLY A 71 3.822 11.457 -10.297 1.00 0.00 H new ATOM 0 HA2 GLY A 71 6.396 10.844 -9.397 1.00 0.00 H new ATOM 0 HA3 GLY A 71 6.147 12.556 -9.117 1.00 0.00 H new ATOM 866 N TRP A 72 5.405 11.168 -6.889 1.00 0.00 N ATOM 867 CA TRP A 72 4.672 10.909 -5.647 1.00 0.00 C ATOM 868 C TRP A 72 5.365 11.604 -4.470 1.00 0.00 C ATOM 869 O TRP A 72 6.588 11.545 -4.344 1.00 0.00 O ATOM 870 CB TRP A 72 4.579 9.401 -5.361 1.00 0.00 C ATOM 871 CG TRP A 72 3.846 8.593 -6.397 1.00 0.00 C ATOM 872 CD1 TRP A 72 4.412 7.895 -7.425 1.00 0.00 C ATOM 873 CD2 TRP A 72 2.428 8.368 -6.495 1.00 0.00 C ATOM 874 NE1 TRP A 72 3.442 7.261 -8.159 1.00 0.00 N ATOM 875 CE2 TRP A 72 2.219 7.529 -7.609 1.00 0.00 C ATOM 876 CE3 TRP A 72 1.312 8.788 -5.758 1.00 0.00 C ATOM 877 CZ2 TRP A 72 0.951 7.105 -7.998 1.00 0.00 C ATOM 878 CZ3 TRP A 72 0.055 8.362 -6.148 1.00 0.00 C ATOM 879 CH2 TRP A 72 -0.115 7.526 -7.255 1.00 0.00 C ATOM 0 H TRP A 72 6.415 11.246 -6.772 1.00 0.00 H new ATOM 0 HA TRP A 72 3.664 11.305 -5.767 1.00 0.00 H new ATOM 0 HB2 TRP A 72 5.589 9.004 -5.263 1.00 0.00 H new ATOM 0 HB3 TRP A 72 4.086 9.260 -4.399 1.00 0.00 H new ATOM 0 HD1 TRP A 72 5.471 7.849 -7.631 1.00 0.00 H new ATOM 0 HE1 TRP A 72 3.607 6.683 -8.983 1.00 0.00 H new ATOM 0 HE3 TRP A 72 1.432 9.433 -4.900 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 0.815 6.465 -8.858 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -0.811 8.681 -5.587 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -1.110 7.206 -7.529 1.00 0.00 H new ATOM 890 N GLY A 73 4.584 12.241 -3.600 1.00 0.00 N ATOM 891 CA GLY A 73 5.155 12.965 -2.471 1.00 0.00 C ATOM 892 C GLY A 73 5.122 12.156 -1.185 1.00 0.00 C ATOM 893 O GLY A 73 4.730 10.996 -1.200 1.00 0.00 O ATOM 0 H GLY A 73 3.566 12.270 -3.655 1.00 0.00 H new ATOM 0 HA2 GLY A 73 6.186 13.235 -2.700 1.00 0.00 H new ATOM 0 HA3 GLY A 73 4.607 13.896 -2.325 1.00 0.00 H new ATOM 897 N GLU A 74 5.563 12.750 -0.079 1.00 0.00 N ATOM 898 CA GLU A 74 5.518 12.081 1.225 1.00 0.00 C ATOM 899 C GLU A 74 4.353 12.597 2.072 1.00 0.00 C ATOM 900 O GLU A 74 4.086 13.801 2.093 1.00 0.00 O ATOM 901 CB GLU A 74 6.836 12.273 1.986 1.00 0.00 C ATOM 902 CG GLU A 74 8.033 12.552 1.091 1.00 0.00 C ATOM 903 CD GLU A 74 8.341 14.032 0.983 1.00 0.00 C ATOM 904 OE1 GLU A 74 7.599 14.745 0.274 1.00 0.00 O ATOM 905 OE2 GLU A 74 9.327 14.490 1.607 1.00 0.00 O ATOM 0 H GLU A 74 5.955 13.691 -0.056 1.00 0.00 H new ATOM 0 HA GLU A 74 5.369 11.017 1.039 1.00 0.00 H new ATOM 0 HB2 GLU A 74 6.721 13.098 2.689 1.00 0.00 H new ATOM 0 HB3 GLU A 74 7.037 11.378 2.575 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.906 12.030 1.483 1.00 0.00 H new ATOM 0 HG3 GLU A 74 7.841 12.150 0.096 1.00 0.00 H new ATOM 912 N ILE A 75 3.663 11.687 2.766 1.00 0.00 N ATOM 913 CA ILE A 75 2.593 12.074 3.687 1.00 0.00 C ATOM 914 C ILE A 75 2.747 11.360 5.040 1.00 0.00 C ATOM 915 O ILE A 75 3.447 11.860 5.922 1.00 0.00 O ATOM 916 CB ILE A 75 1.182 11.816 3.094 1.00 0.00 C ATOM 917 CG1 ILE A 75 1.002 12.612 1.792 1.00 0.00 C ATOM 918 CG2 ILE A 75 0.097 12.190 4.101 1.00 0.00 C ATOM 919 CD1 ILE A 75 -0.441 12.780 1.364 1.00 0.00 C ATOM 0 H ILE A 75 3.826 10.682 2.707 1.00 0.00 H new ATOM 0 HA ILE A 75 2.687 13.148 3.845 1.00 0.00 H new ATOM 0 HB ILE A 75 1.089 10.753 2.872 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.450 13.598 1.917 1.00 0.00 H new ATOM 0 HG13 ILE A 75 1.550 12.111 0.994 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.884 12.002 3.665 1.00 0.00 H new ATOM 0 HG22 ILE A 75 0.215 11.589 5.003 1.00 0.00 H new ATOM 0 HG23 ILE A 75 0.185 13.246 4.355 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -0.481 13.353 0.437 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.890 11.800 1.205 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -0.992 13.309 2.142 1.00 0.00 H new ATOM 931 N LYS A 76 2.119 10.191 5.212 1.00 0.00 N ATOM 932 CA LYS A 76 2.171 9.490 6.496 1.00 0.00 C ATOM 933 C LYS A 76 3.218 8.385 6.476 1.00 0.00 C ATOM 934 O LYS A 76 3.046 7.373 5.805 1.00 0.00 O ATOM 935 CB LYS A 76 0.804 8.898 6.848 1.00 0.00 C ATOM 936 CG LYS A 76 0.512 8.880 8.342 1.00 0.00 C ATOM 937 CD LYS A 76 0.849 7.537 8.968 1.00 0.00 C ATOM 938 CE LYS A 76 1.565 7.706 10.299 1.00 0.00 C ATOM 939 NZ LYS A 76 1.210 6.631 11.265 1.00 0.00 N ATOM 0 H LYS A 76 1.577 9.718 4.489 1.00 0.00 H new ATOM 0 HA LYS A 76 2.448 10.220 7.257 1.00 0.00 H new ATOM 0 HB2 LYS A 76 0.028 9.472 6.342 1.00 0.00 H new ATOM 0 HB3 LYS A 76 0.749 7.880 6.464 1.00 0.00 H new ATOM 0 HG2 LYS A 76 1.087 9.665 8.834 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -0.541 9.104 8.509 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -0.066 6.964 9.116 1.00 0.00 H new ATOM 0 HD3 LYS A 76 1.477 6.964 8.286 1.00 0.00 H new ATOM 0 HE2 LYS A 76 2.642 7.703 10.134 1.00 0.00 H new ATOM 0 HE3 LYS A 76 1.311 8.676 10.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 1.185 7.024 12.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 0.275 6.243 11.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 1.921 5.874 11.218 1.00 0.00 H new ATOM 953 N ARG A 77 4.288 8.582 7.226 1.00 0.00 N ATOM 954 CA ARG A 77 5.385 7.622 7.267 1.00 0.00 C ATOM 955 C ARG A 77 5.189 6.608 8.394 1.00 0.00 C ATOM 956 O ARG A 77 4.953 6.983 9.543 1.00 0.00 O ATOM 957 CB ARG A 77 6.713 8.365 7.451 1.00 0.00 C ATOM 958 CG ARG A 77 7.902 7.454 7.705 1.00 0.00 C ATOM 959 CD ARG A 77 8.605 7.808 9.007 1.00 0.00 C ATOM 960 NE ARG A 77 9.087 6.619 9.707 1.00 0.00 N ATOM 961 CZ ARG A 77 10.322 6.134 9.586 1.00 0.00 C ATOM 962 NH1 ARG A 77 11.237 6.788 8.881 1.00 0.00 N ATOM 963 NH2 ARG A 77 10.654 5.012 10.208 1.00 0.00 N ATOM 0 H ARG A 77 4.424 9.401 7.819 1.00 0.00 H new ATOM 0 HA ARG A 77 5.401 7.076 6.324 1.00 0.00 H new ATOM 0 HB2 ARG A 77 6.910 8.962 6.560 1.00 0.00 H new ATOM 0 HB3 ARG A 77 6.616 9.060 8.285 1.00 0.00 H new ATOM 0 HG2 ARG A 77 7.567 6.417 7.741 1.00 0.00 H new ATOM 0 HG3 ARG A 77 8.606 7.533 6.877 1.00 0.00 H new ATOM 0 HD2 ARG A 77 9.444 8.471 8.798 1.00 0.00 H new ATOM 0 HD3 ARG A 77 7.919 8.356 9.653 1.00 0.00 H new ATOM 0 HE ARG A 77 8.439 6.131 10.325 1.00 0.00 H new ATOM 0 HH11 ARG A 77 10.997 7.669 8.427 1.00 0.00 H new ATOM 0 HH12 ARG A 77 12.180 6.409 8.794 1.00 0.00 H new ATOM 0 HH21 ARG A 77 9.965 4.522 10.778 1.00 0.00 H new ATOM 0 HH22 ARG A 77 11.599 4.639 10.117 1.00 0.00 H new ATOM 977 N ASN A 78 5.271 5.327 8.054 1.00 0.00 N ATOM 978 CA ASN A 78 5.238 4.263 9.052 1.00 0.00 C ATOM 979 C ASN A 78 6.472 3.380 8.923 1.00 0.00 C ATOM 980 O ASN A 78 7.221 3.482 7.945 1.00 0.00 O ATOM 981 CB ASN A 78 3.977 3.412 8.909 1.00 0.00 C ATOM 982 CG ASN A 78 3.149 3.400 10.175 1.00 0.00 C ATOM 983 OD1 ASN A 78 2.811 4.450 10.724 1.00 0.00 O ATOM 984 ND2 ASN A 78 2.812 2.211 10.645 1.00 0.00 N ATOM 0 H ASN A 78 5.361 4.999 7.092 1.00 0.00 H new ATOM 0 HA ASN A 78 5.229 4.729 10.037 1.00 0.00 H new ATOM 0 HB2 ASN A 78 3.374 3.795 8.086 1.00 0.00 H new ATOM 0 HB3 ASN A 78 4.257 2.391 8.650 1.00 0.00 H new ATOM 0 HD21 ASN A 78 2.251 2.138 11.494 1.00 0.00 H new ATOM 0 HD22 ASN A 78 3.113 1.366 10.159 1.00 0.00 H new ATOM 991 N ASP A 79 6.674 2.512 9.906 1.00 0.00 N ATOM 992 CA ASP A 79 7.877 1.692 9.964 1.00 0.00 C ATOM 993 C ASP A 79 7.659 0.304 9.369 1.00 0.00 C ATOM 994 O ASP A 79 6.608 0.009 8.796 1.00 0.00 O ATOM 995 CB ASP A 79 8.359 1.569 11.410 1.00 0.00 C ATOM 996 CG ASP A 79 9.613 2.372 11.657 1.00 0.00 C ATOM 997 OD1 ASP A 79 10.714 1.880 11.336 1.00 0.00 O ATOM 998 OD2 ASP A 79 9.502 3.510 12.166 1.00 0.00 O ATOM 0 H ASP A 79 6.020 2.358 10.674 1.00 0.00 H new ATOM 0 HA ASP A 79 8.638 2.190 9.363 1.00 0.00 H new ATOM 0 HB2 ASP A 79 7.573 1.908 12.085 1.00 0.00 H new ATOM 0 HB3 ASP A 79 8.548 0.521 11.641 1.00 0.00 H new ATOM 1003 N ILE A 80 8.668 -0.543 9.535 1.00 0.00 N ATOM 1004 CA ILE A 80 8.677 -1.881 8.955 1.00 0.00 C ATOM 1005 C ILE A 80 7.927 -2.878 9.825 1.00 0.00 C ATOM 1006 O ILE A 80 7.915 -2.759 11.053 1.00 0.00 O ATOM 1007 CB ILE A 80 10.120 -2.384 8.757 1.00 0.00 C ATOM 1008 CG1 ILE A 80 10.976 -2.031 9.977 1.00 0.00 C ATOM 1009 CG2 ILE A 80 10.717 -1.787 7.494 1.00 0.00 C ATOM 1010 CD1 ILE A 80 11.795 -3.189 10.505 1.00 0.00 C ATOM 0 H ILE A 80 9.504 -0.321 10.076 1.00 0.00 H new ATOM 0 HA ILE A 80 8.176 -1.807 7.990 1.00 0.00 H new ATOM 0 HB ILE A 80 10.102 -3.469 8.650 1.00 0.00 H new ATOM 0 HG12 ILE A 80 11.647 -1.214 9.714 1.00 0.00 H new ATOM 0 HG13 ILE A 80 10.326 -1.666 10.772 1.00 0.00 H new ATOM 0 HG21 ILE A 80 11.737 -2.151 7.366 1.00 0.00 H new ATOM 0 HG22 ILE A 80 10.116 -2.081 6.633 1.00 0.00 H new ATOM 0 HG23 ILE A 80 10.727 -0.700 7.575 1.00 0.00 H new ATOM 0 HD11 ILE A 80 12.374 -2.861 11.368 1.00 0.00 H new ATOM 0 HD12 ILE A 80 11.130 -4.000 10.801 1.00 0.00 H new ATOM 0 HD13 ILE A 80 12.472 -3.541 9.726 1.00 0.00 H new ATOM 1022 N ASP A 81 7.322 -3.868 9.167 1.00 0.00 N ATOM 1023 CA ASP A 81 6.498 -4.877 9.829 1.00 0.00 C ATOM 1024 C ASP A 81 5.495 -4.206 10.743 1.00 0.00 C ATOM 1025 O ASP A 81 5.368 -4.539 11.918 1.00 0.00 O ATOM 1026 CB ASP A 81 7.357 -5.884 10.595 1.00 0.00 C ATOM 1027 CG ASP A 81 7.264 -7.270 9.995 1.00 0.00 C ATOM 1028 OD1 ASP A 81 6.237 -7.951 10.209 1.00 0.00 O ATOM 1029 OD2 ASP A 81 8.210 -7.686 9.289 1.00 0.00 O ATOM 0 H ASP A 81 7.391 -3.992 8.157 1.00 0.00 H new ATOM 0 HA ASP A 81 5.955 -5.434 9.065 1.00 0.00 H new ATOM 0 HB2 ASP A 81 8.396 -5.554 10.590 1.00 0.00 H new ATOM 0 HB3 ASP A 81 7.038 -5.916 11.637 1.00 0.00 H new ATOM 1034 N LYS A 82 4.792 -3.243 10.180 1.00 0.00 N ATOM 1035 CA LYS A 82 3.874 -2.418 10.940 1.00 0.00 C ATOM 1036 C LYS A 82 2.585 -2.209 10.166 1.00 0.00 C ATOM 1037 O LYS A 82 2.598 -2.147 8.934 1.00 0.00 O ATOM 1038 CB LYS A 82 4.518 -1.064 11.248 1.00 0.00 C ATOM 1039 CG LYS A 82 4.665 -0.783 12.732 1.00 0.00 C ATOM 1040 CD LYS A 82 6.054 -1.145 13.229 1.00 0.00 C ATOM 1041 CE LYS A 82 5.989 -1.978 14.496 1.00 0.00 C ATOM 1042 NZ LYS A 82 6.217 -3.425 14.234 1.00 0.00 N ATOM 0 H LYS A 82 4.840 -3.011 9.188 1.00 0.00 H new ATOM 0 HA LYS A 82 3.644 -2.927 11.876 1.00 0.00 H new ATOM 0 HB2 LYS A 82 5.502 -1.025 10.780 1.00 0.00 H new ATOM 0 HB3 LYS A 82 3.918 -0.275 10.795 1.00 0.00 H new ATOM 0 HG2 LYS A 82 4.471 0.272 12.925 1.00 0.00 H new ATOM 0 HG3 LYS A 82 3.919 -1.351 13.287 1.00 0.00 H new ATOM 0 HD2 LYS A 82 6.586 -1.698 12.455 1.00 0.00 H new ATOM 0 HD3 LYS A 82 6.623 -0.235 13.419 1.00 0.00 H new ATOM 0 HE2 LYS A 82 6.735 -1.617 15.204 1.00 0.00 H new ATOM 0 HE3 LYS A 82 5.014 -1.845 14.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 5.558 -3.990 14.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 6.058 -3.624 13.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 7.195 -3.674 14.486 1.00 0.00 H new ATOM 1056 N PRO A 83 1.457 -2.123 10.876 1.00 0.00 N ATOM 1057 CA PRO A 83 0.168 -1.837 10.265 1.00 0.00 C ATOM 1058 C PRO A 83 0.042 -0.369 9.871 1.00 0.00 C ATOM 1059 O PRO A 83 -0.152 0.503 10.719 1.00 0.00 O ATOM 1060 CB PRO A 83 -0.855 -2.190 11.362 1.00 0.00 C ATOM 1061 CG PRO A 83 -0.069 -2.828 12.464 1.00 0.00 C ATOM 1062 CD PRO A 83 1.335 -2.322 12.324 1.00 0.00 C ATOM 0 HA PRO A 83 0.021 -2.403 9.345 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -1.372 -1.298 11.716 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -1.617 -2.870 10.981 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -0.482 -2.566 13.438 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -0.101 -3.915 12.386 1.00 0.00 H new ATOM 0 HD2 PRO A 83 1.489 -1.395 12.876 1.00 0.00 H new ATOM 0 HD3 PRO A 83 2.065 -3.040 12.698 1.00 0.00 H new ATOM 1070 N LEU A 84 0.174 -0.105 8.586 1.00 0.00 N ATOM 1071 CA LEU A 84 -0.086 1.216 8.047 1.00 0.00 C ATOM 1072 C LEU A 84 -1.309 1.107 7.175 1.00 0.00 C ATOM 1073 O LEU A 84 -1.313 0.378 6.193 1.00 0.00 O ATOM 1074 CB LEU A 84 1.098 1.762 7.248 1.00 0.00 C ATOM 1075 CG LEU A 84 0.871 3.164 6.671 1.00 0.00 C ATOM 1076 CD1 LEU A 84 0.443 4.133 7.762 1.00 0.00 C ATOM 1077 CD2 LEU A 84 2.124 3.671 5.980 1.00 0.00 C ATOM 0 H LEU A 84 0.462 -0.794 7.891 1.00 0.00 H new ATOM 0 HA LEU A 84 -0.245 1.918 8.865 1.00 0.00 H new ATOM 0 HB2 LEU A 84 1.978 1.784 7.891 1.00 0.00 H new ATOM 0 HB3 LEU A 84 1.318 1.076 6.430 1.00 0.00 H new ATOM 0 HG LEU A 84 0.071 3.099 5.933 1.00 0.00 H new ATOM 0 HD11 LEU A 84 0.288 5.122 7.330 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.485 3.785 8.214 1.00 0.00 H new ATOM 0 HD13 LEU A 84 1.220 4.188 8.525 1.00 0.00 H new ATOM 0 HD21 LEU A 84 1.940 4.667 5.578 1.00 0.00 H new ATOM 0 HD22 LEU A 84 2.943 3.715 6.698 1.00 0.00 H new ATOM 0 HD23 LEU A 84 2.390 2.995 5.167 1.00 0.00 H new ATOM 1089 N LYS A 85 -2.342 1.815 7.544 1.00 0.00 N ATOM 1090 CA LYS A 85 -3.662 1.508 7.051 1.00 0.00 C ATOM 1091 C LYS A 85 -4.097 2.403 5.898 1.00 0.00 C ATOM 1092 O LYS A 85 -4.108 3.627 6.022 1.00 0.00 O ATOM 1093 CB LYS A 85 -4.642 1.622 8.213 1.00 0.00 C ATOM 1094 CG LYS A 85 -4.433 0.564 9.289 1.00 0.00 C ATOM 1095 CD LYS A 85 -4.637 1.131 10.686 1.00 0.00 C ATOM 1096 CE LYS A 85 -6.113 1.299 11.011 1.00 0.00 C ATOM 1097 NZ LYS A 85 -6.456 2.711 11.326 1.00 0.00 N ATOM 0 H LYS A 85 -2.298 2.608 8.184 1.00 0.00 H new ATOM 0 HA LYS A 85 -3.647 0.495 6.649 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -4.547 2.610 8.663 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -5.659 1.543 7.829 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -5.126 -0.261 9.127 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -3.426 0.155 9.206 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -4.175 0.469 11.419 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -4.134 2.095 10.765 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -6.711 0.960 10.165 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -6.372 0.665 11.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -7.471 2.782 11.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -5.904 3.027 12.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -6.233 3.313 10.508 1.00 0.00 H new ATOM 1111 N TYR A 86 -4.421 1.781 4.762 1.00 0.00 N ATOM 1112 CA TYR A 86 -5.207 2.436 3.718 1.00 0.00 C ATOM 1113 C TYR A 86 -6.180 1.454 3.081 1.00 0.00 C ATOM 1114 O TYR A 86 -5.798 0.343 2.725 1.00 0.00 O ATOM 1115 CB TYR A 86 -4.342 3.080 2.627 1.00 0.00 C ATOM 1116 CG TYR A 86 -5.067 3.258 1.302 1.00 0.00 C ATOM 1117 CD1 TYR A 86 -6.255 3.986 1.223 1.00 0.00 C ATOM 1118 CD2 TYR A 86 -4.576 2.681 0.136 1.00 0.00 C ATOM 1119 CE1 TYR A 86 -6.926 4.128 0.023 1.00 0.00 C ATOM 1120 CE2 TYR A 86 -5.241 2.825 -1.067 1.00 0.00 C ATOM 1121 CZ TYR A 86 -6.415 3.546 -1.118 1.00 0.00 C ATOM 1122 OH TYR A 86 -7.080 3.685 -2.313 1.00 0.00 O ATOM 0 H TYR A 86 -4.150 0.822 4.543 1.00 0.00 H new ATOM 0 HA TYR A 86 -5.757 3.237 4.212 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -3.996 4.053 2.976 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -3.456 2.465 2.467 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -6.657 4.446 2.114 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -3.660 2.111 0.171 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -7.846 4.692 -0.021 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -4.842 2.374 -1.964 1.00 0.00 H new ATOM 0 HH TYR A 86 -6.587 3.216 -3.018 1.00 0.00 H new ATOM 1132 N GLU A 87 -7.437 1.885 2.978 1.00 0.00 N ATOM 1133 CA GLU A 87 -8.463 1.212 2.193 1.00 0.00 C ATOM 1134 C GLU A 87 -9.778 1.975 2.327 1.00 0.00 C ATOM 1135 O GLU A 87 -9.958 2.730 3.284 1.00 0.00 O ATOM 1136 CB GLU A 87 -8.640 -0.249 2.615 1.00 0.00 C ATOM 1137 CG GLU A 87 -8.344 -1.234 1.493 1.00 0.00 C ATOM 1138 CD GLU A 87 -8.611 -0.646 0.121 1.00 0.00 C ATOM 1139 OE1 GLU A 87 -9.776 -0.278 -0.152 1.00 0.00 O ATOM 1140 OE2 GLU A 87 -7.658 -0.532 -0.676 1.00 0.00 O ATOM 0 H GLU A 87 -7.773 2.726 3.447 1.00 0.00 H new ATOM 0 HA GLU A 87 -8.148 1.203 1.150 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -7.982 -0.460 3.458 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.662 -0.399 2.962 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -7.302 -1.548 1.554 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -8.954 -2.127 1.627 1.00 0.00 H new ATOM 1147 N ASP A 88 -10.656 1.810 1.335 1.00 0.00 N ATOM 1148 CA ASP A 88 -11.991 2.443 1.299 1.00 0.00 C ATOM 1149 C ASP A 88 -11.938 3.966 1.089 1.00 0.00 C ATOM 1150 O ASP A 88 -12.809 4.537 0.432 1.00 0.00 O ATOM 1151 CB ASP A 88 -12.786 2.123 2.571 1.00 0.00 C ATOM 1152 CG ASP A 88 -14.142 2.803 2.589 1.00 0.00 C ATOM 1153 OD1 ASP A 88 -15.019 2.415 1.787 1.00 0.00 O ATOM 1154 OD2 ASP A 88 -14.335 3.727 3.405 1.00 0.00 O ATOM 0 H ASP A 88 -10.464 1.227 0.520 1.00 0.00 H new ATOM 0 HA ASP A 88 -12.497 2.017 0.433 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -12.922 1.044 2.650 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -12.213 2.437 3.443 1.00 0.00 H new ATOM 1159 N TYR A 89 -10.913 4.611 1.629 1.00 0.00 N ATOM 1160 CA TYR A 89 -10.820 6.074 1.654 1.00 0.00 C ATOM 1161 C TYR A 89 -10.682 6.701 0.264 1.00 0.00 C ATOM 1162 O TYR A 89 -10.789 7.923 0.127 1.00 0.00 O ATOM 1163 CB TYR A 89 -9.634 6.504 2.514 1.00 0.00 C ATOM 1164 CG TYR A 89 -9.995 6.856 3.940 1.00 0.00 C ATOM 1165 CD1 TYR A 89 -10.949 6.126 4.637 1.00 0.00 C ATOM 1166 CD2 TYR A 89 -9.370 7.909 4.593 1.00 0.00 C ATOM 1167 CE1 TYR A 89 -11.268 6.437 5.942 1.00 0.00 C ATOM 1168 CE2 TYR A 89 -9.684 8.223 5.901 1.00 0.00 C ATOM 1169 CZ TYR A 89 -10.635 7.485 6.568 1.00 0.00 C ATOM 1170 OH TYR A 89 -10.947 7.790 7.871 1.00 0.00 O ATOM 0 H TYR A 89 -10.120 4.140 2.064 1.00 0.00 H new ATOM 0 HA TYR A 89 -11.759 6.432 2.076 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -8.898 5.700 2.526 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -9.157 7.366 2.049 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -11.449 5.302 4.149 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -8.626 8.492 4.070 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -12.012 5.860 6.470 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -9.186 9.043 6.397 1.00 0.00 H new ATOM 0 HH TYR A 89 -10.411 8.556 8.165 1.00 0.00 H new ATOM 1180 N TYR A 90 -10.426 5.886 -0.757 1.00 0.00 N ATOM 1181 CA TYR A 90 -10.306 6.403 -2.121 1.00 0.00 C ATOM 1182 C TYR A 90 -11.593 7.110 -2.523 1.00 0.00 C ATOM 1183 O TYR A 90 -12.668 6.511 -2.532 1.00 0.00 O ATOM 1184 CB TYR A 90 -9.966 5.291 -3.129 1.00 0.00 C ATOM 1185 CG TYR A 90 -10.722 3.991 -2.927 1.00 0.00 C ATOM 1186 CD1 TYR A 90 -10.248 3.023 -2.053 1.00 0.00 C ATOM 1187 CD2 TYR A 90 -11.903 3.728 -3.615 1.00 0.00 C ATOM 1188 CE1 TYR A 90 -10.927 1.837 -1.865 1.00 0.00 C ATOM 1189 CE2 TYR A 90 -12.587 2.541 -3.431 1.00 0.00 C ATOM 1190 CZ TYR A 90 -12.094 1.600 -2.554 1.00 0.00 C ATOM 1191 OH TYR A 90 -12.769 0.418 -2.355 1.00 0.00 O ATOM 0 H TYR A 90 -10.299 4.878 -0.670 1.00 0.00 H new ATOM 0 HA TYR A 90 -9.482 7.116 -2.136 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -10.168 5.659 -4.135 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -8.897 5.085 -3.073 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -9.331 3.201 -1.510 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -12.291 4.463 -4.304 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -10.543 1.096 -1.179 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -13.503 2.352 -3.972 1.00 0.00 H new ATOM 0 HH TYR A 90 -13.574 0.403 -2.914 1.00 0.00 H new ATOM 1201 N THR A 91 -11.482 8.390 -2.829 1.00 0.00 N ATOM 1202 CA THR A 91 -12.644 9.204 -3.141 1.00 0.00 C ATOM 1203 C THR A 91 -12.666 9.585 -4.619 1.00 0.00 C ATOM 1204 O THR A 91 -11.963 8.981 -5.428 1.00 0.00 O ATOM 1205 CB THR A 91 -12.667 10.472 -2.271 1.00 0.00 C ATOM 1206 OG1 THR A 91 -11.542 10.464 -1.380 1.00 0.00 O ATOM 1207 CG2 THR A 91 -13.956 10.550 -1.463 1.00 0.00 C ATOM 0 H THR A 91 -10.594 8.891 -2.868 1.00 0.00 H new ATOM 0 HA THR A 91 -13.533 8.611 -2.924 1.00 0.00 H new ATOM 0 HB THR A 91 -12.614 11.342 -2.925 1.00 0.00 H new ATOM 0 HG1 THR A 91 -11.557 11.273 -0.827 1.00 0.00 H new ATOM 0 HG21 THR A 91 -13.950 11.455 -0.855 1.00 0.00 H new ATOM 0 HG22 THR A 91 -14.809 10.574 -2.141 1.00 0.00 H new ATOM 0 HG23 THR A 91 -14.032 9.678 -0.814 1.00 0.00 H new ATOM 1215 N SER A 92 -13.482 10.578 -4.961 1.00 0.00 N ATOM 1216 CA SER A 92 -13.647 11.019 -6.341 1.00 0.00 C ATOM 1217 C SER A 92 -12.326 11.486 -6.947 1.00 0.00 C ATOM 1218 O SER A 92 -11.821 12.557 -6.603 1.00 0.00 O ATOM 1219 CB SER A 92 -14.669 12.154 -6.377 1.00 0.00 C ATOM 1220 OG SER A 92 -15.211 12.380 -5.081 1.00 0.00 O ATOM 0 H SER A 92 -14.046 11.099 -4.290 1.00 0.00 H new ATOM 0 HA SER A 92 -13.997 10.175 -6.936 1.00 0.00 H new ATOM 0 HB2 SER A 92 -14.196 13.065 -6.743 1.00 0.00 H new ATOM 0 HB3 SER A 92 -15.470 11.908 -7.074 1.00 0.00 H new ATOM 0 HG SER A 92 -14.589 12.927 -4.557 1.00 0.00 H new ATOM 1226 N GLY A 93 -11.762 10.667 -7.832 1.00 0.00 N ATOM 1227 CA GLY A 93 -10.517 11.018 -8.490 1.00 0.00 C ATOM 1228 C GLY A 93 -9.373 11.140 -7.507 1.00 0.00 C ATOM 1229 O GLY A 93 -8.407 11.866 -7.745 1.00 0.00 O ATOM 0 H GLY A 93 -12.148 9.763 -8.105 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -10.275 10.261 -9.236 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -10.641 11.962 -9.021 1.00 0.00 H new ATOM 1233 N LEU A 94 -9.488 10.427 -6.396 1.00 0.00 N ATOM 1234 CA LEU A 94 -8.484 10.478 -5.353 1.00 0.00 C ATOM 1235 C LEU A 94 -7.913 9.095 -5.103 1.00 0.00 C ATOM 1236 O LEU A 94 -8.639 8.164 -4.753 1.00 0.00 O ATOM 1237 CB LEU A 94 -9.080 11.037 -4.060 1.00 0.00 C ATOM 1238 CG LEU A 94 -8.432 12.322 -3.536 1.00 0.00 C ATOM 1239 CD1 LEU A 94 -8.477 12.347 -2.018 1.00 0.00 C ATOM 1240 CD2 LEU A 94 -6.996 12.456 -4.031 1.00 0.00 C ATOM 0 H LEU A 94 -10.271 9.805 -6.197 1.00 0.00 H new ATOM 0 HA LEU A 94 -7.682 11.138 -5.683 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -10.141 11.226 -4.222 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -9.007 10.272 -3.287 1.00 0.00 H new ATOM 0 HG LEU A 94 -8.997 13.171 -3.920 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -8.014 13.265 -1.655 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -9.514 12.307 -1.684 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -7.936 11.487 -1.624 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -6.562 13.377 -3.643 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -6.411 11.605 -3.684 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.988 12.482 -5.121 1.00 0.00 H new ATOM 1252 N SER A 95 -6.615 8.966 -5.289 1.00 0.00 N ATOM 1253 CA SER A 95 -5.949 7.696 -5.108 1.00 0.00 C ATOM 1254 C SER A 95 -4.885 7.791 -4.024 1.00 0.00 C ATOM 1255 O SER A 95 -3.995 8.643 -4.085 1.00 0.00 O ATOM 1256 CB SER A 95 -5.318 7.250 -6.428 1.00 0.00 C ATOM 1257 OG SER A 95 -6.309 7.053 -7.426 1.00 0.00 O ATOM 0 H SER A 95 -5.999 9.730 -5.567 1.00 0.00 H new ATOM 0 HA SER A 95 -6.688 6.959 -4.795 1.00 0.00 H new ATOM 0 HB2 SER A 95 -4.602 8.000 -6.765 1.00 0.00 H new ATOM 0 HB3 SER A 95 -4.762 6.325 -6.275 1.00 0.00 H new ATOM 0 HG SER A 95 -5.881 6.770 -8.261 1.00 0.00 H new ATOM 1263 N TRP A 96 -5.000 6.932 -3.023 1.00 0.00 N ATOM 1264 CA TRP A 96 -3.958 6.782 -2.026 1.00 0.00 C ATOM 1265 C TRP A 96 -3.017 5.691 -2.497 1.00 0.00 C ATOM 1266 O TRP A 96 -3.446 4.723 -3.127 1.00 0.00 O ATOM 1267 CB TRP A 96 -4.533 6.403 -0.656 1.00 0.00 C ATOM 1268 CG TRP A 96 -5.287 7.499 0.040 1.00 0.00 C ATOM 1269 CD1 TRP A 96 -6.599 7.840 -0.141 1.00 0.00 C ATOM 1270 CD2 TRP A 96 -4.781 8.377 1.055 1.00 0.00 C ATOM 1271 NE1 TRP A 96 -6.935 8.876 0.698 1.00 0.00 N ATOM 1272 CE2 TRP A 96 -5.836 9.221 1.442 1.00 0.00 C ATOM 1273 CE3 TRP A 96 -3.537 8.530 1.677 1.00 0.00 C ATOM 1274 CZ2 TRP A 96 -5.686 10.203 2.419 1.00 0.00 C ATOM 1275 CZ3 TRP A 96 -3.388 9.506 2.645 1.00 0.00 C ATOM 1276 CH2 TRP A 96 -4.458 10.328 3.012 1.00 0.00 C ATOM 0 H TRP A 96 -5.809 6.327 -2.882 1.00 0.00 H new ATOM 0 HA TRP A 96 -3.437 7.733 -1.911 1.00 0.00 H new ATOM 0 HB2 TRP A 96 -5.197 5.548 -0.781 1.00 0.00 H new ATOM 0 HB3 TRP A 96 -3.715 6.079 -0.012 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -7.272 7.365 -0.840 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -7.853 9.317 0.757 1.00 0.00 H new ATOM 0 HE3 TRP A 96 -2.706 7.896 1.405 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 -6.509 10.843 2.699 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 -2.430 9.636 3.126 1.00 0.00 H new ATOM 0 HH2 TRP A 96 -4.313 11.076 3.778 1.00 0.00 H new ATOM 1287 N ILE A 97 -1.747 5.844 -2.211 1.00 0.00 N ATOM 1288 CA ILE A 97 -0.757 4.914 -2.693 1.00 0.00 C ATOM 1289 C ILE A 97 0.195 4.503 -1.582 1.00 0.00 C ATOM 1290 O ILE A 97 0.378 5.231 -0.603 1.00 0.00 O ATOM 1291 CB ILE A 97 0.031 5.528 -3.873 1.00 0.00 C ATOM 1292 CG1 ILE A 97 0.335 4.469 -4.924 1.00 0.00 C ATOM 1293 CG2 ILE A 97 1.321 6.183 -3.404 1.00 0.00 C ATOM 1294 CD1 ILE A 97 -0.898 3.793 -5.480 1.00 0.00 C ATOM 0 H ILE A 97 -1.374 6.606 -1.645 1.00 0.00 H new ATOM 0 HA ILE A 97 -1.276 4.022 -3.042 1.00 0.00 H new ATOM 0 HB ILE A 97 -0.597 6.300 -4.318 1.00 0.00 H new ATOM 0 HG12 ILE A 97 0.886 4.931 -5.743 1.00 0.00 H new ATOM 0 HG13 ILE A 97 0.987 3.713 -4.487 1.00 0.00 H new ATOM 0 HG21 ILE A 97 1.848 6.603 -4.261 1.00 0.00 H new ATOM 0 HG22 ILE A 97 1.089 6.978 -2.695 1.00 0.00 H new ATOM 0 HG23 ILE A 97 1.952 5.438 -2.920 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -0.603 3.052 -6.222 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -1.439 3.301 -4.672 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -1.542 4.538 -5.947 1.00 0.00 H new ATOM 1306 N TRP A 98 0.779 3.328 -1.732 1.00 0.00 N ATOM 1307 CA TRP A 98 1.801 2.876 -0.811 1.00 0.00 C ATOM 1308 C TRP A 98 3.168 3.166 -1.393 1.00 0.00 C ATOM 1309 O TRP A 98 3.675 2.404 -2.213 1.00 0.00 O ATOM 1310 CB TRP A 98 1.670 1.380 -0.538 1.00 0.00 C ATOM 1311 CG TRP A 98 0.471 1.012 0.275 1.00 0.00 C ATOM 1312 CD1 TRP A 98 -0.429 0.030 -0.014 1.00 0.00 C ATOM 1313 CD2 TRP A 98 0.029 1.609 1.504 1.00 0.00 C ATOM 1314 NE1 TRP A 98 -1.388 -0.033 0.960 1.00 0.00 N ATOM 1315 CE2 TRP A 98 -1.133 0.924 1.898 1.00 0.00 C ATOM 1316 CE3 TRP A 98 0.496 2.651 2.317 1.00 0.00 C ATOM 1317 CZ2 TRP A 98 -1.824 1.238 3.055 1.00 0.00 C ATOM 1318 CZ3 TRP A 98 -0.204 2.960 3.466 1.00 0.00 C ATOM 1319 CH2 TRP A 98 -1.348 2.256 3.822 1.00 0.00 C ATOM 0 H TRP A 98 0.562 2.672 -2.482 1.00 0.00 H new ATOM 0 HA TRP A 98 1.676 3.409 0.131 1.00 0.00 H new ATOM 0 HB2 TRP A 98 1.627 0.850 -1.490 1.00 0.00 H new ATOM 0 HB3 TRP A 98 2.566 1.036 -0.021 1.00 0.00 H new ATOM 0 HD1 TRP A 98 -0.391 -0.606 -0.886 1.00 0.00 H new ATOM 0 HE1 TRP A 98 -2.168 -0.690 0.981 1.00 0.00 H new ATOM 0 HE3 TRP A 98 1.386 3.201 2.050 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 -2.712 0.693 3.340 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 0.144 3.763 4.099 1.00 0.00 H new ATOM 0 HH2 TRP A 98 -1.871 2.523 4.728 1.00 0.00 H new ATOM 1330 N LYS A 99 3.746 4.284 -0.999 1.00 0.00 N ATOM 1331 CA LYS A 99 5.079 4.627 -1.451 1.00 0.00 C ATOM 1332 C LYS A 99 6.100 3.867 -0.623 1.00 0.00 C ATOM 1333 O LYS A 99 6.443 4.269 0.491 1.00 0.00 O ATOM 1334 CB LYS A 99 5.321 6.136 -1.360 1.00 0.00 C ATOM 1335 CG LYS A 99 6.610 6.595 -2.030 1.00 0.00 C ATOM 1336 CD LYS A 99 6.460 7.977 -2.648 1.00 0.00 C ATOM 1337 CE LYS A 99 7.417 8.979 -2.019 1.00 0.00 C ATOM 1338 NZ LYS A 99 8.198 9.720 -3.044 1.00 0.00 N ATOM 0 H LYS A 99 3.317 4.965 -0.372 1.00 0.00 H new ATOM 0 HA LYS A 99 5.181 4.343 -2.498 1.00 0.00 H new ATOM 0 HB2 LYS A 99 4.480 6.657 -1.817 1.00 0.00 H new ATOM 0 HB3 LYS A 99 5.345 6.428 -0.310 1.00 0.00 H new ATOM 0 HG2 LYS A 99 7.416 6.610 -1.297 1.00 0.00 H new ATOM 0 HG3 LYS A 99 6.894 5.880 -2.802 1.00 0.00 H new ATOM 0 HD2 LYS A 99 6.646 7.919 -3.720 1.00 0.00 H new ATOM 0 HD3 LYS A 99 5.434 8.324 -2.521 1.00 0.00 H new ATOM 0 HE2 LYS A 99 6.853 9.687 -1.411 1.00 0.00 H new ATOM 0 HE3 LYS A 99 8.101 8.457 -1.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 8.993 10.211 -2.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 8.565 9.052 -3.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 7.584 10.417 -3.512 1.00 0.00 H new ATOM 1352 N ILE A 100 6.543 2.744 -1.158 1.00 0.00 N ATOM 1353 CA ILE A 100 7.541 1.925 -0.498 1.00 0.00 C ATOM 1354 C ILE A 100 8.928 2.380 -0.910 1.00 0.00 C ATOM 1355 O ILE A 100 9.344 2.163 -2.044 1.00 0.00 O ATOM 1356 CB ILE A 100 7.364 0.429 -0.837 1.00 0.00 C ATOM 1357 CG1 ILE A 100 5.982 -0.058 -0.387 1.00 0.00 C ATOM 1358 CG2 ILE A 100 8.469 -0.403 -0.190 1.00 0.00 C ATOM 1359 CD1 ILE A 100 5.739 -1.526 -0.660 1.00 0.00 C ATOM 0 H ILE A 100 6.224 2.377 -2.055 1.00 0.00 H new ATOM 0 HA ILE A 100 7.414 2.043 0.578 1.00 0.00 H new ATOM 0 HB ILE A 100 7.437 0.306 -1.918 1.00 0.00 H new ATOM 0 HG12 ILE A 100 5.871 0.128 0.681 1.00 0.00 H new ATOM 0 HG13 ILE A 100 5.216 0.529 -0.894 1.00 0.00 H new ATOM 0 HG21 ILE A 100 8.327 -1.454 -0.440 1.00 0.00 H new ATOM 0 HG22 ILE A 100 9.439 -0.070 -0.559 1.00 0.00 H new ATOM 0 HG23 ILE A 100 8.431 -0.280 0.892 1.00 0.00 H new ATOM 0 HD11 ILE A 100 4.742 -1.800 -0.316 1.00 0.00 H new ATOM 0 HD12 ILE A 100 5.818 -1.715 -1.731 1.00 0.00 H new ATOM 0 HD13 ILE A 100 6.482 -2.122 -0.131 1.00 0.00 H new ATOM 1371 N LYS A 101 9.614 3.048 -0.002 1.00 0.00 N ATOM 1372 CA LYS A 101 10.985 3.461 -0.239 1.00 0.00 C ATOM 1373 C LYS A 101 11.924 2.614 0.603 1.00 0.00 C ATOM 1374 O LYS A 101 11.683 2.403 1.788 1.00 0.00 O ATOM 1375 CB LYS A 101 11.162 4.944 0.093 1.00 0.00 C ATOM 1376 CG LYS A 101 12.308 5.603 -0.658 1.00 0.00 C ATOM 1377 CD LYS A 101 13.190 6.424 0.269 1.00 0.00 C ATOM 1378 CE LYS A 101 13.043 7.915 0.005 1.00 0.00 C ATOM 1379 NZ LYS A 101 13.670 8.321 -1.282 1.00 0.00 N ATOM 0 H LYS A 101 9.243 3.317 0.909 1.00 0.00 H new ATOM 0 HA LYS A 101 11.223 3.318 -1.293 1.00 0.00 H new ATOM 0 HB2 LYS A 101 10.237 5.472 -0.137 1.00 0.00 H new ATOM 0 HB3 LYS A 101 11.332 5.050 1.164 1.00 0.00 H new ATOM 0 HG2 LYS A 101 12.909 4.838 -1.149 1.00 0.00 H new ATOM 0 HG3 LYS A 101 11.907 6.245 -1.442 1.00 0.00 H new ATOM 0 HD2 LYS A 101 12.929 6.210 1.305 1.00 0.00 H new ATOM 0 HD3 LYS A 101 14.231 6.131 0.136 1.00 0.00 H new ATOM 0 HE2 LYS A 101 11.985 8.177 -0.009 1.00 0.00 H new ATOM 0 HE3 LYS A 101 13.499 8.474 0.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 13.806 9.352 -1.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 14.592 7.850 -1.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 13.052 8.045 -2.072 1.00 0.00 H new ATOM 1393 N ASN A 102 12.980 2.114 -0.003 1.00 0.00 N ATOM 1394 CA ASN A 102 13.921 1.270 0.714 1.00 0.00 C ATOM 1395 C ASN A 102 15.313 1.885 0.701 1.00 0.00 C ATOM 1396 O ASN A 102 15.738 2.474 -0.289 1.00 0.00 O ATOM 1397 CB ASN A 102 13.940 -0.147 0.123 1.00 0.00 C ATOM 1398 CG ASN A 102 14.577 -0.225 -1.256 1.00 0.00 C ATOM 1399 OD1 ASN A 102 14.502 0.712 -2.050 1.00 0.00 O ATOM 1400 ND2 ASN A 102 15.199 -1.353 -1.558 1.00 0.00 N ATOM 0 H ASN A 102 13.210 2.274 -0.984 1.00 0.00 H new ATOM 0 HA ASN A 102 13.594 1.197 1.751 1.00 0.00 H new ATOM 0 HB2 ASN A 102 14.481 -0.807 0.801 1.00 0.00 H new ATOM 0 HB3 ASN A 102 12.918 -0.520 0.063 1.00 0.00 H new ATOM 0 HD21 ASN A 102 15.635 -1.466 -2.473 1.00 0.00 H new ATOM 0 HD22 ASN A 102 15.242 -2.110 -0.876 1.00 0.00 H new ATOM 1407 N ASN A 103 16.008 1.779 1.822 1.00 0.00 N ATOM 1408 CA ASN A 103 17.357 2.318 1.924 1.00 0.00 C ATOM 1409 C ASN A 103 18.377 1.229 1.630 1.00 0.00 C ATOM 1410 O ASN A 103 19.583 1.477 1.584 1.00 0.00 O ATOM 1411 CB ASN A 103 17.596 2.918 3.311 1.00 0.00 C ATOM 1412 CG ASN A 103 16.987 4.304 3.447 1.00 0.00 C ATOM 1413 OD1 ASN A 103 17.464 5.268 2.844 1.00 0.00 O ATOM 1414 ND2 ASN A 103 15.931 4.416 4.236 1.00 0.00 N ATOM 0 H ASN A 103 15.664 1.328 2.670 1.00 0.00 H new ATOM 0 HA ASN A 103 17.471 3.113 1.187 1.00 0.00 H new ATOM 0 HB2 ASN A 103 17.171 2.260 4.068 1.00 0.00 H new ATOM 0 HB3 ASN A 103 18.668 2.973 3.502 1.00 0.00 H new ATOM 0 HD21 ASN A 103 15.483 5.323 4.362 1.00 0.00 H new ATOM 0 HD22 ASN A 103 15.565 3.595 4.718 1.00 0.00 H new ATOM 1421 N SER A 104 17.876 0.019 1.431 1.00 0.00 N ATOM 1422 CA SER A 104 18.707 -1.114 1.083 1.00 0.00 C ATOM 1423 C SER A 104 19.173 -1.005 -0.365 1.00 0.00 C ATOM 1424 O SER A 104 18.430 -0.544 -1.230 1.00 0.00 O ATOM 1425 CB SER A 104 17.908 -2.401 1.284 1.00 0.00 C ATOM 1426 OG SER A 104 16.554 -2.107 1.605 1.00 0.00 O ATOM 0 H SER A 104 16.883 -0.201 1.507 1.00 0.00 H new ATOM 0 HA SER A 104 19.587 -1.127 1.726 1.00 0.00 H new ATOM 0 HB2 SER A 104 17.949 -3.006 0.378 1.00 0.00 H new ATOM 0 HB3 SER A 104 18.356 -2.992 2.083 1.00 0.00 H new ATOM 0 HG SER A 104 15.960 -2.662 1.057 1.00 0.00 H new ATOM 1432 N SER A 105 20.400 -1.428 -0.622 1.00 0.00 N ATOM 1433 CA SER A 105 20.952 -1.390 -1.967 1.00 0.00 C ATOM 1434 C SER A 105 20.626 -2.687 -2.700 1.00 0.00 C ATOM 1435 O SER A 105 20.835 -2.809 -3.908 1.00 0.00 O ATOM 1436 CB SER A 105 22.464 -1.174 -1.900 1.00 0.00 C ATOM 1437 OG SER A 105 22.828 -0.492 -0.707 1.00 0.00 O ATOM 0 H SER A 105 21.034 -1.802 0.084 1.00 0.00 H new ATOM 0 HA SER A 105 20.506 -0.561 -2.517 1.00 0.00 H new ATOM 0 HB2 SER A 105 22.975 -2.136 -1.944 1.00 0.00 H new ATOM 0 HB3 SER A 105 22.792 -0.599 -2.766 1.00 0.00 H new ATOM 0 HG SER A 105 23.800 -0.367 -0.685 1.00 0.00 H new ATOM 1443 N GLU A 106 20.112 -3.646 -1.952 1.00 0.00 N ATOM 1444 CA GLU A 106 19.739 -4.941 -2.492 1.00 0.00 C ATOM 1445 C GLU A 106 18.226 -5.027 -2.683 1.00 0.00 C ATOM 1446 O GLU A 106 17.468 -4.258 -2.082 1.00 0.00 O ATOM 1447 CB GLU A 106 20.215 -6.058 -1.554 1.00 0.00 C ATOM 1448 CG GLU A 106 19.999 -5.756 -0.074 1.00 0.00 C ATOM 1449 CD GLU A 106 21.158 -5.001 0.551 1.00 0.00 C ATOM 1450 OE1 GLU A 106 22.173 -5.638 0.898 1.00 0.00 O ATOM 1451 OE2 GLU A 106 21.056 -3.764 0.691 1.00 0.00 O ATOM 0 H GLU A 106 19.941 -3.549 -0.951 1.00 0.00 H new ATOM 0 HA GLU A 106 20.218 -5.063 -3.463 1.00 0.00 H new ATOM 0 HB2 GLU A 106 19.691 -6.980 -1.807 1.00 0.00 H new ATOM 0 HB3 GLU A 106 21.276 -6.237 -1.727 1.00 0.00 H new ATOM 0 HG2 GLU A 106 19.086 -5.172 0.043 1.00 0.00 H new ATOM 0 HG3 GLU A 106 19.849 -6.692 0.464 1.00 0.00 H new ATOM 1458 N THR A 107 17.792 -5.961 -3.520 1.00 0.00 N ATOM 1459 CA THR A 107 16.376 -6.177 -3.773 1.00 0.00 C ATOM 1460 C THR A 107 15.673 -6.668 -2.510 1.00 0.00 C ATOM 1461 O THR A 107 15.738 -7.849 -2.160 1.00 0.00 O ATOM 1462 CB THR A 107 16.165 -7.194 -4.912 1.00 0.00 C ATOM 1463 OG1 THR A 107 17.396 -7.397 -5.623 1.00 0.00 O ATOM 1464 CG2 THR A 107 15.095 -6.713 -5.879 1.00 0.00 C ATOM 0 H THR A 107 18.409 -6.586 -4.039 1.00 0.00 H new ATOM 0 HA THR A 107 15.945 -5.222 -4.074 1.00 0.00 H new ATOM 0 HB THR A 107 15.838 -8.135 -4.470 1.00 0.00 H new ATOM 0 HG1 THR A 107 17.254 -8.046 -6.344 1.00 0.00 H new ATOM 0 HG21 THR A 107 14.965 -7.448 -6.673 1.00 0.00 H new ATOM 0 HG22 THR A 107 14.153 -6.585 -5.345 1.00 0.00 H new ATOM 0 HG23 THR A 107 15.398 -5.760 -6.313 1.00 0.00 H new ATOM 1472 N SER A 108 15.011 -5.752 -1.824 1.00 0.00 N ATOM 1473 CA SER A 108 14.366 -6.058 -0.560 1.00 0.00 C ATOM 1474 C SER A 108 12.959 -6.600 -0.782 1.00 0.00 C ATOM 1475 O SER A 108 12.186 -6.047 -1.562 1.00 0.00 O ATOM 1476 CB SER A 108 14.323 -4.802 0.308 1.00 0.00 C ATOM 1477 OG SER A 108 15.291 -3.856 -0.126 1.00 0.00 O ATOM 0 H SER A 108 14.906 -4.783 -2.125 1.00 0.00 H new ATOM 0 HA SER A 108 14.943 -6.829 -0.050 1.00 0.00 H new ATOM 0 HB2 SER A 108 13.329 -4.358 0.264 1.00 0.00 H new ATOM 0 HB3 SER A 108 14.508 -5.067 1.349 1.00 0.00 H new ATOM 0 HG SER A 108 16.162 -4.297 -0.216 1.00 0.00 H new ATOM 1483 N ASN A 109 12.638 -7.691 -0.103 1.00 0.00 N ATOM 1484 CA ASN A 109 11.317 -8.300 -0.211 1.00 0.00 C ATOM 1485 C ASN A 109 10.338 -7.617 0.734 1.00 0.00 C ATOM 1486 O ASN A 109 10.681 -7.303 1.878 1.00 0.00 O ATOM 1487 CB ASN A 109 11.396 -9.808 0.088 1.00 0.00 C ATOM 1488 CG ASN A 109 10.140 -10.359 0.755 1.00 0.00 C ATOM 1489 OD1 ASN A 109 9.970 -10.260 1.973 1.00 0.00 O ATOM 1490 ND2 ASN A 109 9.256 -10.954 -0.033 1.00 0.00 N ATOM 0 H ASN A 109 13.274 -8.175 0.530 1.00 0.00 H new ATOM 0 HA ASN A 109 10.957 -8.170 -1.231 1.00 0.00 H new ATOM 0 HB2 ASN A 109 11.570 -10.347 -0.843 1.00 0.00 H new ATOM 0 HB3 ASN A 109 12.254 -9.999 0.732 1.00 0.00 H new ATOM 0 HD21 ASN A 109 8.403 -11.348 0.364 1.00 0.00 H new ATOM 0 HD22 ASN A 109 9.429 -11.018 -1.036 1.00 0.00 H new ATOM 1497 N TYR A 110 9.129 -7.380 0.244 1.00 0.00 N ATOM 1498 CA TYR A 110 8.073 -6.807 1.061 1.00 0.00 C ATOM 1499 C TYR A 110 6.815 -7.659 0.970 1.00 0.00 C ATOM 1500 O TYR A 110 6.503 -8.216 -0.083 1.00 0.00 O ATOM 1501 CB TYR A 110 7.761 -5.360 0.646 1.00 0.00 C ATOM 1502 CG TYR A 110 7.566 -5.145 -0.846 1.00 0.00 C ATOM 1503 CD1 TYR A 110 6.374 -5.494 -1.478 1.00 0.00 C ATOM 1504 CD2 TYR A 110 8.572 -4.576 -1.619 1.00 0.00 C ATOM 1505 CE1 TYR A 110 6.199 -5.287 -2.831 1.00 0.00 C ATOM 1506 CE2 TYR A 110 8.398 -4.363 -2.972 1.00 0.00 C ATOM 1507 CZ TYR A 110 7.213 -4.719 -3.574 1.00 0.00 C ATOM 1508 OH TYR A 110 7.038 -4.509 -4.924 1.00 0.00 O ATOM 0 H TYR A 110 8.856 -7.577 -0.719 1.00 0.00 H new ATOM 0 HA TYR A 110 8.423 -6.792 2.093 1.00 0.00 H new ATOM 0 HB2 TYR A 110 6.859 -5.036 1.165 1.00 0.00 H new ATOM 0 HB3 TYR A 110 8.573 -4.718 0.987 1.00 0.00 H new ATOM 0 HD1 TYR A 110 5.575 -5.933 -0.900 1.00 0.00 H new ATOM 0 HD2 TYR A 110 9.505 -4.296 -1.153 1.00 0.00 H new ATOM 0 HE1 TYR A 110 5.271 -5.569 -3.307 1.00 0.00 H new ATOM 0 HE2 TYR A 110 9.190 -3.918 -3.556 1.00 0.00 H new ATOM 0 HH TYR A 110 6.107 -4.256 -5.098 1.00 0.00 H new ATOM 1518 N SER A 111 6.119 -7.783 2.081 1.00 0.00 N ATOM 1519 CA SER A 111 4.846 -8.480 2.111 1.00 0.00 C ATOM 1520 C SER A 111 3.765 -7.536 2.612 1.00 0.00 C ATOM 1521 O SER A 111 3.625 -7.329 3.818 1.00 0.00 O ATOM 1522 CB SER A 111 4.940 -9.712 3.009 1.00 0.00 C ATOM 1523 OG SER A 111 6.293 -10.106 3.185 1.00 0.00 O ATOM 0 H SER A 111 6.415 -7.408 2.982 1.00 0.00 H new ATOM 0 HA SER A 111 4.591 -8.811 1.104 1.00 0.00 H new ATOM 0 HB2 SER A 111 4.490 -9.496 3.978 1.00 0.00 H new ATOM 0 HB3 SER A 111 4.372 -10.532 2.570 1.00 0.00 H new ATOM 0 HG SER A 111 6.331 -10.895 3.764 1.00 0.00 H new ATOM 1529 N LEU A 112 3.029 -6.935 1.689 1.00 0.00 N ATOM 1530 CA LEU A 112 2.022 -5.960 2.061 1.00 0.00 C ATOM 1531 C LEU A 112 0.623 -6.506 1.828 1.00 0.00 C ATOM 1532 O LEU A 112 0.323 -7.052 0.762 1.00 0.00 O ATOM 1533 CB LEU A 112 2.214 -4.661 1.283 1.00 0.00 C ATOM 1534 CG LEU A 112 1.141 -3.604 1.535 1.00 0.00 C ATOM 1535 CD1 LEU A 112 1.712 -2.444 2.333 1.00 0.00 C ATOM 1536 CD2 LEU A 112 0.562 -3.124 0.218 1.00 0.00 C ATOM 0 H LEU A 112 3.111 -7.105 0.687 1.00 0.00 H new ATOM 0 HA LEU A 112 2.138 -5.751 3.125 1.00 0.00 H new ATOM 0 HB2 LEU A 112 3.187 -4.240 1.538 1.00 0.00 H new ATOM 0 HB3 LEU A 112 2.236 -4.891 0.218 1.00 0.00 H new ATOM 0 HG LEU A 112 0.338 -4.051 2.121 1.00 0.00 H new ATOM 0 HD11 LEU A 112 0.933 -1.701 2.503 1.00 0.00 H new ATOM 0 HD12 LEU A 112 2.081 -2.809 3.292 1.00 0.00 H new ATOM 0 HD13 LEU A 112 2.532 -1.989 1.778 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -0.202 -2.371 0.410 1.00 0.00 H new ATOM 0 HD22 LEU A 112 1.355 -2.690 -0.391 1.00 0.00 H new ATOM 0 HD23 LEU A 112 0.117 -3.966 -0.312 1.00 0.00 H new ATOM 1548 N ASP A 113 -0.223 -6.351 2.834 1.00 0.00 N ATOM 1549 CA ASP A 113 -1.599 -6.818 2.762 1.00 0.00 C ATOM 1550 C ASP A 113 -2.563 -5.692 3.081 1.00 0.00 C ATOM 1551 O ASP A 113 -2.638 -5.234 4.220 1.00 0.00 O ATOM 1552 CB ASP A 113 -1.831 -7.972 3.735 1.00 0.00 C ATOM 1553 CG ASP A 113 -1.871 -9.321 3.049 1.00 0.00 C ATOM 1554 OD1 ASP A 113 -2.855 -9.608 2.345 1.00 0.00 O ATOM 1555 OD2 ASP A 113 -0.924 -10.117 3.225 1.00 0.00 O ATOM 0 H ASP A 113 0.021 -5.902 3.717 1.00 0.00 H new ATOM 0 HA ASP A 113 -1.778 -7.167 1.745 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -1.039 -7.974 4.484 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -2.770 -7.811 4.265 1.00 0.00 H new ATOM 1560 N ALA A 114 -3.285 -5.239 2.070 1.00 0.00 N ATOM 1561 CA ALA A 114 -4.303 -4.223 2.244 1.00 0.00 C ATOM 1562 C ALA A 114 -5.605 -4.717 1.648 1.00 0.00 C ATOM 1563 O ALA A 114 -5.685 -4.943 0.445 1.00 0.00 O ATOM 1564 CB ALA A 114 -3.878 -2.928 1.572 1.00 0.00 C ATOM 0 H ALA A 114 -3.181 -5.565 1.109 1.00 0.00 H new ATOM 0 HA ALA A 114 -4.440 -4.028 3.308 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -4.653 -2.174 1.711 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -2.946 -2.577 2.015 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -3.729 -3.103 0.506 1.00 0.00 H new ATOM 1570 N THR A 115 -6.613 -4.928 2.476 1.00 0.00 N ATOM 1571 CA THR A 115 -7.862 -5.483 1.984 1.00 0.00 C ATOM 1572 C THR A 115 -9.076 -4.978 2.752 1.00 0.00 C ATOM 1573 O THR A 115 -9.252 -5.276 3.935 1.00 0.00 O ATOM 1574 CB THR A 115 -7.847 -7.022 2.042 1.00 0.00 C ATOM 1575 OG1 THR A 115 -6.678 -7.533 1.390 1.00 0.00 O ATOM 1576 CG2 THR A 115 -9.091 -7.607 1.395 1.00 0.00 C ATOM 0 H THR A 115 -6.594 -4.728 3.476 1.00 0.00 H new ATOM 0 HA THR A 115 -7.947 -5.148 0.950 1.00 0.00 H new ATOM 0 HB THR A 115 -7.833 -7.316 3.091 1.00 0.00 H new ATOM 0 HG1 THR A 115 -6.680 -8.512 1.435 1.00 0.00 H new ATOM 0 HG21 THR A 115 -9.053 -8.695 1.451 1.00 0.00 H new ATOM 0 HG22 THR A 115 -9.977 -7.248 1.919 1.00 0.00 H new ATOM 0 HG23 THR A 115 -9.137 -7.299 0.351 1.00 0.00 H new