USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=29 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 102 ASN : amide:sc= 1 K(o=1.1,f=-5.1!) USER MOD Set 1.2: A 104 SER OG : rot 180:sc= 0.117 USER MOD Set 1.3: A 108 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 26 GLN : amide:sc= 0.703 K(o=1.9,f=-4.6!) USER MOD Set 2.2: A 107 THR OG1 : rot -80:sc= 1.16 USER MOD Set 3.1: A 76 LYS NZ :NH3+ -128:sc= 0.229! (180deg=-5.85!) USER MOD Set 3.2: A 78 ASN : amide:sc= -5.61! C(o=-8.9!,f=-21!) USER MOD Set 3.3: A 85 LYS NZ :NH3+ 153:sc= -3.54! (180deg=-5.51!) USER MOD Set 4.1: A 52 SER OG : rot 160:sc= -0.172 USER MOD Set 4.2: A 59 MET CE :methyl -154:sc= -0.9 (180deg=-2.36!) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 174:sc= 1.21 USER MOD Single : A 22 THR OG1 : rot 180:sc=-0.00991 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.0193 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 CYS SG : rot 165:sc= -1.33! USER MOD Single : A 47 TYR OH : rot 180:sc= -0.163 USER MOD Single : A 51 HIS : no HE2:sc= 0.368 K(o=0.37,f=-6.2!) USER MOD Single : A 53 THR OG1 : rot 73:sc= 0.112 USER MOD Single : A 54 ASN : amide:sc= 1.6 K(o=1.6,f=-5!) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -1.46 K(o=-1.5,f=-2.4!) USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 LYS NZ :NH3+ 161:sc= 1.24 (180deg=1.12) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 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 65:sc= 0.66 USER MOD Single : A 92 SER OG : rot 5:sc= 0.505 USER MOD Single : A 95 SER OG : rot 180:sc= 0.0057 USER MOD Single : A 99 LYS NZ :NH3+ 142:sc= 2.27 (180deg=-1.68!) USER MOD Single : A 101 LYS NZ :NH3+ -156:sc= 1.23 (180deg=1.09) USER MOD Single : A 103 ASN : amide:sc= 1.17 K(o=1.2,f=-0.12) USER MOD Single : A 105 SER OG : rot 180:sc= 0.0811 USER MOD Single : A 109 ASN : amide:sc=-0.00247 K(o=-0.0025,f=-3!) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot -175:sc= -1.68! USER MOD Single : A 115 THR OG1 : rot -151:sc= 0.941 USER MOD ----------------------------------------------------------------- ATOM 91 N ALA A 19 -5.272 -8.023 1.668 1.00 0.00 N ATOM 92 CA ALA A 19 -4.400 -9.130 1.312 1.00 0.00 C ATOM 93 C ALA A 19 -2.979 -8.875 1.791 1.00 0.00 C ATOM 94 O ALA A 19 -2.680 -7.844 2.388 1.00 0.00 O ATOM 95 CB ALA A 19 -4.392 -9.350 -0.190 1.00 0.00 C ATOM 0 HA ALA A 19 -4.787 -10.024 1.802 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.733 -10.183 -0.432 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.403 -9.576 -0.530 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.035 -8.448 -0.688 1.00 0.00 H new ATOM 101 N THR A 20 -2.122 -9.839 1.569 1.00 0.00 N ATOM 102 CA THR A 20 -0.704 -9.663 1.788 1.00 0.00 C ATOM 103 C THR A 20 0.068 -10.074 0.535 1.00 0.00 C ATOM 104 O THR A 20 -0.001 -11.226 0.105 1.00 0.00 O ATOM 105 CB THR A 20 -0.213 -10.478 2.997 1.00 0.00 C ATOM 106 OG1 THR A 20 -1.340 -10.925 3.768 1.00 0.00 O ATOM 107 CG2 THR A 20 0.711 -9.642 3.872 1.00 0.00 C ATOM 0 H THR A 20 -2.383 -10.766 1.233 1.00 0.00 H new ATOM 0 HA THR A 20 -0.525 -8.609 2.001 1.00 0.00 H new ATOM 0 HB THR A 20 0.345 -11.340 2.631 1.00 0.00 H new ATOM 0 HG1 THR A 20 -1.025 -11.445 4.536 1.00 0.00 H new ATOM 0 HG21 THR A 20 1.046 -10.238 4.721 1.00 0.00 H new ATOM 0 HG22 THR A 20 1.575 -9.324 3.289 1.00 0.00 H new ATOM 0 HG23 THR A 20 0.174 -8.765 4.234 1.00 0.00 H new ATOM 115 N TYR A 21 0.775 -9.124 -0.057 1.00 0.00 N ATOM 116 CA TYR A 21 1.499 -9.364 -1.299 1.00 0.00 C ATOM 117 C TYR A 21 2.929 -9.808 -1.021 1.00 0.00 C ATOM 118 O TYR A 21 3.403 -9.747 0.110 1.00 0.00 O ATOM 119 CB TYR A 21 1.533 -8.099 -2.157 1.00 0.00 C ATOM 120 CG TYR A 21 0.244 -7.789 -2.881 1.00 0.00 C ATOM 121 CD1 TYR A 21 -0.179 -8.563 -3.955 1.00 0.00 C ATOM 122 CD2 TYR A 21 -0.539 -6.708 -2.503 1.00 0.00 C ATOM 123 CE1 TYR A 21 -1.348 -8.270 -4.628 1.00 0.00 C ATOM 124 CE2 TYR A 21 -1.707 -6.408 -3.174 1.00 0.00 C ATOM 125 CZ TYR A 21 -2.107 -7.192 -4.234 1.00 0.00 C ATOM 126 OH TYR A 21 -3.267 -6.888 -4.907 1.00 0.00 O ATOM 0 H TYR A 21 0.864 -8.174 0.304 1.00 0.00 H new ATOM 0 HA TYR A 21 0.974 -10.155 -1.834 1.00 0.00 H new ATOM 0 HB2 TYR A 21 1.788 -7.252 -1.520 1.00 0.00 H new ATOM 0 HB3 TYR A 21 2.332 -8.197 -2.892 1.00 0.00 H new ATOM 0 HD1 TYR A 21 0.417 -9.408 -4.268 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -0.230 -6.092 -1.671 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.665 -8.883 -5.459 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -2.305 -5.562 -2.869 1.00 0.00 H new ATOM 0 HH TYR A 21 -3.729 -6.155 -4.449 1.00 0.00 H new ATOM 136 N THR A 22 3.598 -10.277 -2.057 1.00 0.00 N ATOM 137 CA THR A 22 5.014 -10.599 -1.988 1.00 0.00 C ATOM 138 C THR A 22 5.692 -10.230 -3.307 1.00 0.00 C ATOM 139 O THR A 22 5.177 -10.546 -4.380 1.00 0.00 O ATOM 140 CB THR A 22 5.227 -12.093 -1.677 1.00 0.00 C ATOM 141 OG1 THR A 22 4.340 -12.494 -0.622 1.00 0.00 O ATOM 142 CG2 THR A 22 6.665 -12.368 -1.264 1.00 0.00 C ATOM 0 H THR A 22 3.177 -10.446 -2.971 1.00 0.00 H new ATOM 0 HA THR A 22 5.461 -10.021 -1.179 1.00 0.00 H new ATOM 0 HB THR A 22 5.015 -12.665 -2.580 1.00 0.00 H new ATOM 0 HG1 THR A 22 4.474 -13.445 -0.425 1.00 0.00 H new ATOM 0 HG21 THR A 22 6.786 -13.430 -1.051 1.00 0.00 H new ATOM 0 HG22 THR A 22 7.337 -12.082 -2.073 1.00 0.00 H new ATOM 0 HG23 THR A 22 6.904 -11.789 -0.372 1.00 0.00 H new ATOM 150 N GLY A 23 6.822 -9.536 -3.228 1.00 0.00 N ATOM 151 CA GLY A 23 7.520 -9.110 -4.428 1.00 0.00 C ATOM 152 C GLY A 23 8.890 -8.542 -4.118 1.00 0.00 C ATOM 153 O GLY A 23 9.163 -8.175 -2.980 1.00 0.00 O ATOM 0 H GLY A 23 7.268 -9.260 -2.353 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.624 -9.957 -5.106 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.925 -8.358 -4.946 1.00 0.00 H new ATOM 157 N THR A 24 9.746 -8.452 -5.122 1.00 0.00 N ATOM 158 CA THR A 24 11.118 -8.007 -4.917 1.00 0.00 C ATOM 159 C THR A 24 11.307 -6.549 -5.334 1.00 0.00 C ATOM 160 O THR A 24 11.034 -6.178 -6.477 1.00 0.00 O ATOM 161 CB THR A 24 12.100 -8.892 -5.709 1.00 0.00 C ATOM 162 OG1 THR A 24 11.373 -9.841 -6.506 1.00 0.00 O ATOM 163 CG2 THR A 24 13.041 -9.628 -4.767 1.00 0.00 C ATOM 0 H THR A 24 9.517 -8.681 -6.089 1.00 0.00 H new ATOM 0 HA THR A 24 11.326 -8.092 -3.850 1.00 0.00 H new ATOM 0 HB THR A 24 12.692 -8.249 -6.361 1.00 0.00 H new ATOM 0 HG1 THR A 24 12.004 -10.398 -7.008 1.00 0.00 H new ATOM 0 HG21 THR A 24 13.726 -10.247 -5.347 1.00 0.00 H new ATOM 0 HG22 THR A 24 13.611 -8.905 -4.184 1.00 0.00 H new ATOM 0 HG23 THR A 24 12.461 -10.260 -4.094 1.00 0.00 H new ATOM 171 N ILE A 25 11.775 -5.729 -4.404 1.00 0.00 N ATOM 172 CA ILE A 25 12.066 -4.331 -4.688 1.00 0.00 C ATOM 173 C ILE A 25 13.571 -4.147 -4.860 1.00 0.00 C ATOM 174 O ILE A 25 14.364 -4.861 -4.238 1.00 0.00 O ATOM 175 CB ILE A 25 11.535 -3.396 -3.569 1.00 0.00 C ATOM 176 CG1 ILE A 25 11.539 -1.937 -4.033 1.00 0.00 C ATOM 177 CG2 ILE A 25 12.351 -3.548 -2.291 1.00 0.00 C ATOM 178 CD1 ILE A 25 11.011 -0.968 -2.995 1.00 0.00 C ATOM 0 H ILE A 25 11.962 -6.010 -3.441 1.00 0.00 H new ATOM 0 HA ILE A 25 11.555 -4.058 -5.612 1.00 0.00 H new ATOM 0 HB ILE A 25 10.508 -3.689 -3.353 1.00 0.00 H new ATOM 0 HG12 ILE A 25 12.557 -1.652 -4.299 1.00 0.00 H new ATOM 0 HG13 ILE A 25 10.937 -1.851 -4.938 1.00 0.00 H new ATOM 0 HG21 ILE A 25 11.956 -2.881 -1.525 1.00 0.00 H new ATOM 0 HG22 ILE A 25 12.290 -4.578 -1.941 1.00 0.00 H new ATOM 0 HG23 ILE A 25 13.392 -3.294 -2.491 1.00 0.00 H new ATOM 0 HD11 ILE A 25 11.044 0.046 -3.394 1.00 0.00 H new ATOM 0 HD12 ILE A 25 9.982 -1.227 -2.746 1.00 0.00 H new ATOM 0 HD13 ILE A 25 11.627 -1.025 -2.097 1.00 0.00 H new ATOM 190 N GLN A 26 13.966 -3.214 -5.713 1.00 0.00 N ATOM 191 CA GLN A 26 15.377 -2.964 -5.957 1.00 0.00 C ATOM 192 C GLN A 26 15.918 -1.964 -4.947 1.00 0.00 C ATOM 193 O GLN A 26 15.153 -1.328 -4.224 1.00 0.00 O ATOM 194 CB GLN A 26 15.589 -2.449 -7.381 1.00 0.00 C ATOM 195 CG GLN A 26 16.084 -3.516 -8.343 1.00 0.00 C ATOM 196 CD GLN A 26 17.493 -3.979 -8.022 1.00 0.00 C ATOM 197 OE1 GLN A 26 17.709 -4.772 -7.103 1.00 0.00 O ATOM 198 NE2 GLN A 26 18.463 -3.483 -8.771 1.00 0.00 N ATOM 0 H GLN A 26 13.331 -2.620 -6.246 1.00 0.00 H new ATOM 0 HA GLN A 26 15.920 -3.902 -5.844 1.00 0.00 H new ATOM 0 HB2 GLN A 26 14.650 -2.041 -7.755 1.00 0.00 H new ATOM 0 HB3 GLN A 26 16.307 -1.629 -7.359 1.00 0.00 H new ATOM 0 HG2 GLN A 26 15.408 -4.371 -8.312 1.00 0.00 H new ATOM 0 HG3 GLN A 26 16.056 -3.125 -9.360 1.00 0.00 H new ATOM 0 HE21 GLN A 26 18.244 -2.829 -9.522 1.00 0.00 H new ATOM 0 HE22 GLN A 26 19.431 -3.754 -8.597 1.00 0.00 H new ATOM 207 N GLY A 27 17.237 -1.843 -4.890 1.00 0.00 N ATOM 208 CA GLY A 27 17.852 -0.896 -3.989 1.00 0.00 C ATOM 209 C GLY A 27 17.552 0.532 -4.378 1.00 0.00 C ATOM 210 O GLY A 27 17.617 0.879 -5.559 1.00 0.00 O ATOM 0 H GLY A 27 17.891 -2.386 -5.454 1.00 0.00 H new ATOM 0 HA2 GLY A 27 17.497 -1.078 -2.975 1.00 0.00 H new ATOM 0 HA3 GLY A 27 18.931 -1.051 -3.982 1.00 0.00 H new ATOM 214 N LYS A 28 17.227 1.351 -3.382 1.00 0.00 N ATOM 215 CA LYS A 28 16.826 2.737 -3.609 1.00 0.00 C ATOM 216 C LYS A 28 15.587 2.778 -4.490 1.00 0.00 C ATOM 217 O LYS A 28 15.461 3.622 -5.379 1.00 0.00 O ATOM 218 CB LYS A 28 17.966 3.541 -4.247 1.00 0.00 C ATOM 219 CG LYS A 28 19.101 3.861 -3.288 1.00 0.00 C ATOM 220 CD LYS A 28 18.581 4.260 -1.914 1.00 0.00 C ATOM 221 CE LYS A 28 18.392 5.765 -1.807 1.00 0.00 C ATOM 222 NZ LYS A 28 19.431 6.396 -0.952 1.00 0.00 N ATOM 0 H LYS A 28 17.234 1.075 -2.400 1.00 0.00 H new ATOM 0 HA LYS A 28 16.593 3.193 -2.647 1.00 0.00 H new ATOM 0 HB2 LYS A 28 18.364 2.981 -5.093 1.00 0.00 H new ATOM 0 HB3 LYS A 28 17.563 4.473 -4.643 1.00 0.00 H new ATOM 0 HG2 LYS A 28 19.753 2.992 -3.192 1.00 0.00 H new ATOM 0 HG3 LYS A 28 19.706 4.670 -3.697 1.00 0.00 H new ATOM 0 HD2 LYS A 28 17.632 3.758 -1.723 1.00 0.00 H new ATOM 0 HD3 LYS A 28 19.279 3.924 -1.148 1.00 0.00 H new ATOM 0 HE2 LYS A 28 18.425 6.206 -2.803 1.00 0.00 H new ATOM 0 HE3 LYS A 28 17.405 5.978 -1.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 19.266 7.422 -0.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 19.384 5.994 0.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 20.371 6.215 -1.358 1.00 0.00 H new ATOM 236 N GLY A 29 14.681 1.850 -4.237 1.00 0.00 N ATOM 237 CA GLY A 29 13.484 1.741 -5.029 1.00 0.00 C ATOM 238 C GLY A 29 12.298 2.385 -4.358 1.00 0.00 C ATOM 239 O GLY A 29 12.121 2.282 -3.141 1.00 0.00 O ATOM 0 H GLY A 29 14.758 1.163 -3.487 1.00 0.00 H new ATOM 0 HA2 GLY A 29 13.649 2.209 -6.000 1.00 0.00 H new ATOM 0 HA3 GLY A 29 13.268 0.689 -5.215 1.00 0.00 H new ATOM 243 N GLU A 30 11.496 3.069 -5.147 1.00 0.00 N ATOM 244 CA GLU A 30 10.274 3.678 -4.659 1.00 0.00 C ATOM 245 C GLU A 30 9.121 3.253 -5.557 1.00 0.00 C ATOM 246 O GLU A 30 9.094 3.583 -6.742 1.00 0.00 O ATOM 247 CB GLU A 30 10.401 5.206 -4.630 1.00 0.00 C ATOM 248 CG GLU A 30 11.798 5.706 -4.286 1.00 0.00 C ATOM 249 CD GLU A 30 11.825 6.592 -3.056 1.00 0.00 C ATOM 250 OE1 GLU A 30 10.917 7.442 -2.907 1.00 0.00 O ATOM 251 OE2 GLU A 30 12.752 6.449 -2.233 1.00 0.00 O ATOM 0 H GLU A 30 11.671 3.219 -6.141 1.00 0.00 H new ATOM 0 HA GLU A 30 10.085 3.344 -3.639 1.00 0.00 H new ATOM 0 HB2 GLU A 30 10.114 5.603 -5.604 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.694 5.605 -3.903 1.00 0.00 H new ATOM 0 HG2 GLU A 30 12.454 4.851 -4.125 1.00 0.00 H new ATOM 0 HG3 GLU A 30 12.199 6.260 -5.135 1.00 0.00 H new ATOM 258 N VAL A 31 8.198 2.480 -5.012 1.00 0.00 N ATOM 259 CA VAL A 31 7.081 1.970 -5.796 1.00 0.00 C ATOM 260 C VAL A 31 5.764 2.503 -5.270 1.00 0.00 C ATOM 261 O VAL A 31 5.564 2.619 -4.061 1.00 0.00 O ATOM 262 CB VAL A 31 7.026 0.423 -5.798 1.00 0.00 C ATOM 263 CG1 VAL A 31 6.811 -0.105 -7.206 1.00 0.00 C ATOM 264 CG2 VAL A 31 8.287 -0.175 -5.193 1.00 0.00 C ATOM 0 H VAL A 31 8.197 2.191 -4.034 1.00 0.00 H new ATOM 0 HA VAL A 31 7.241 2.314 -6.818 1.00 0.00 H new ATOM 0 HB VAL A 31 6.180 0.120 -5.181 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.775 -1.194 -7.185 1.00 0.00 H new ATOM 0 HG12 VAL A 31 5.871 0.281 -7.600 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.632 0.219 -7.845 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.218 -1.263 -5.209 1.00 0.00 H new ATOM 0 HG22 VAL A 31 9.154 0.142 -5.772 1.00 0.00 H new ATOM 0 HG23 VAL A 31 8.394 0.167 -4.164 1.00 0.00 H new ATOM 274 N CYS A 32 4.869 2.822 -6.185 1.00 0.00 N ATOM 275 CA CYS A 32 3.572 3.353 -5.830 1.00 0.00 C ATOM 276 C CYS A 32 2.466 2.421 -6.310 1.00 0.00 C ATOM 277 O CYS A 32 2.410 2.056 -7.488 1.00 0.00 O ATOM 278 CB CYS A 32 3.396 4.749 -6.439 1.00 0.00 C ATOM 279 SG CYS A 32 1.725 5.090 -7.096 1.00 0.00 S ATOM 0 H CYS A 32 5.021 2.720 -7.188 1.00 0.00 H new ATOM 0 HA CYS A 32 3.508 3.430 -4.745 1.00 0.00 H new ATOM 0 HB2 CYS A 32 3.632 5.494 -5.679 1.00 0.00 H new ATOM 0 HB3 CYS A 32 4.120 4.873 -7.244 1.00 0.00 H new ATOM 0 HG CYS A 32 1.584 6.369 -7.281 1.00 0.00 H new ATOM 284 N ILE A 33 1.618 2.005 -5.387 1.00 0.00 N ATOM 285 CA ILE A 33 0.415 1.272 -5.731 1.00 0.00 C ATOM 286 C ILE A 33 -0.767 2.223 -5.697 1.00 0.00 C ATOM 287 O ILE A 33 -1.119 2.751 -4.639 1.00 0.00 O ATOM 288 CB ILE A 33 0.145 0.102 -4.763 1.00 0.00 C ATOM 289 CG1 ILE A 33 1.333 -0.871 -4.743 1.00 0.00 C ATOM 290 CG2 ILE A 33 -1.142 -0.623 -5.145 1.00 0.00 C ATOM 291 CD1 ILE A 33 1.584 -1.563 -6.066 1.00 0.00 C ATOM 0 H ILE A 33 1.742 2.164 -4.387 1.00 0.00 H new ATOM 0 HA ILE A 33 0.555 0.852 -6.727 1.00 0.00 H new ATOM 0 HB ILE A 33 0.023 0.508 -3.759 1.00 0.00 H new ATOM 0 HG12 ILE A 33 2.231 -0.326 -4.454 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.158 -1.626 -3.977 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.316 -1.445 -4.451 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.979 0.074 -5.100 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.051 -1.016 -6.158 1.00 0.00 H new ATOM 0 HD11 ILE A 33 2.438 -2.233 -5.970 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.702 -2.138 -6.349 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.792 -0.817 -6.833 1.00 0.00 H new ATOM 476 N LEU A 46 -8.420 1.777 3.213 1.00 0.00 N ATOM 477 CA LEU A 46 -7.318 2.613 3.617 1.00 0.00 C ATOM 478 C LEU A 46 -6.469 1.792 4.571 1.00 0.00 C ATOM 479 O LEU A 46 -5.840 2.299 5.494 1.00 0.00 O ATOM 480 CB LEU A 46 -7.835 3.895 4.280 1.00 0.00 C ATOM 481 CG LEU A 46 -6.780 4.814 4.910 1.00 0.00 C ATOM 482 CD1 LEU A 46 -5.550 4.959 4.029 1.00 0.00 C ATOM 483 CD2 LEU A 46 -7.377 6.168 5.180 1.00 0.00 C ATOM 0 HA LEU A 46 -6.722 2.926 2.760 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.384 4.468 3.533 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.549 3.614 5.054 1.00 0.00 H new ATOM 0 HG LEU A 46 -6.462 4.356 5.847 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.830 5.618 4.515 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -5.097 3.980 3.872 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -5.839 5.383 3.067 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -6.623 6.816 5.627 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -7.723 6.606 4.244 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -8.219 6.065 5.865 1.00 0.00 H new ATOM 495 N TYR A 47 -6.478 0.493 4.349 1.00 0.00 N ATOM 496 CA TYR A 47 -5.719 -0.395 5.184 1.00 0.00 C ATOM 497 C TYR A 47 -4.533 -0.984 4.426 1.00 0.00 C ATOM 498 O TYR A 47 -4.648 -1.360 3.268 1.00 0.00 O ATOM 499 CB TYR A 47 -6.580 -1.517 5.752 1.00 0.00 C ATOM 500 CG TYR A 47 -5.728 -2.520 6.465 1.00 0.00 C ATOM 501 CD1 TYR A 47 -5.038 -2.160 7.612 1.00 0.00 C ATOM 502 CD2 TYR A 47 -5.553 -3.791 5.959 1.00 0.00 C ATOM 503 CE1 TYR A 47 -4.204 -3.045 8.246 1.00 0.00 C ATOM 504 CE2 TYR A 47 -4.719 -4.689 6.581 1.00 0.00 C ATOM 505 CZ TYR A 47 -4.043 -4.315 7.728 1.00 0.00 C ATOM 506 OH TYR A 47 -3.217 -5.212 8.361 1.00 0.00 O ATOM 0 H TYR A 47 -7.001 0.038 3.601 1.00 0.00 H new ATOM 0 HA TYR A 47 -5.346 0.200 6.017 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -7.319 -1.105 6.439 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -7.130 -2.005 4.947 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -5.159 -1.165 8.014 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -6.078 -4.084 5.062 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -3.678 -2.751 9.142 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -4.592 -5.682 6.176 1.00 0.00 H new ATOM 0 HH TYR A 47 -3.216 -6.059 7.869 1.00 0.00 H new ATOM 516 N ALA A 48 -3.403 -1.058 5.110 1.00 0.00 N ATOM 517 CA ALA A 48 -2.157 -1.520 4.538 1.00 0.00 C ATOM 518 C ALA A 48 -1.248 -2.036 5.648 1.00 0.00 C ATOM 519 O ALA A 48 -1.222 -1.465 6.742 1.00 0.00 O ATOM 520 CB ALA A 48 -1.472 -0.388 3.785 1.00 0.00 C ATOM 0 H ALA A 48 -3.329 -0.794 6.092 1.00 0.00 H new ATOM 0 HA ALA A 48 -2.363 -2.328 3.836 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.536 -0.749 3.359 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.123 -0.037 2.984 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.266 0.433 4.471 1.00 0.00 H new ATOM 526 N VAL A 49 -0.506 -3.092 5.373 1.00 0.00 N ATOM 527 CA VAL A 49 0.458 -3.615 6.327 1.00 0.00 C ATOM 528 C VAL A 49 1.763 -3.955 5.609 1.00 0.00 C ATOM 529 O VAL A 49 1.767 -4.672 4.606 1.00 0.00 O ATOM 530 CB VAL A 49 -0.084 -4.852 7.086 1.00 0.00 C ATOM 531 CG1 VAL A 49 -0.432 -5.989 6.134 1.00 0.00 C ATOM 532 CG2 VAL A 49 0.908 -5.314 8.145 1.00 0.00 C ATOM 0 H VAL A 49 -0.552 -3.607 4.494 1.00 0.00 H new ATOM 0 HA VAL A 49 0.644 -2.841 7.072 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.005 -4.552 7.586 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.809 -6.838 6.704 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.197 -5.655 5.433 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.460 -6.288 5.583 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.506 -6.184 8.665 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.851 -5.580 7.668 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.077 -4.509 8.861 1.00 0.00 H new ATOM 542 N LEU A 50 2.870 -3.431 6.116 1.00 0.00 N ATOM 543 CA LEU A 50 4.151 -3.594 5.444 1.00 0.00 C ATOM 544 C LEU A 50 5.041 -4.570 6.197 1.00 0.00 C ATOM 545 O LEU A 50 5.073 -4.561 7.425 1.00 0.00 O ATOM 546 CB LEU A 50 4.865 -2.246 5.316 1.00 0.00 C ATOM 547 CG LEU A 50 5.505 -1.950 3.951 1.00 0.00 C ATOM 548 CD1 LEU A 50 6.978 -1.605 4.120 1.00 0.00 C ATOM 549 CD2 LEU A 50 5.340 -3.121 2.988 1.00 0.00 C ATOM 0 H LEU A 50 2.908 -2.894 6.982 1.00 0.00 H new ATOM 0 HA LEU A 50 3.955 -3.994 4.449 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.149 -1.455 5.538 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.642 -2.195 6.078 1.00 0.00 H new ATOM 0 HG LEU A 50 4.987 -1.092 3.521 1.00 0.00 H new ATOM 0 HD11 LEU A 50 7.417 -1.398 3.144 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.075 -0.725 4.756 1.00 0.00 H new ATOM 0 HD13 LEU A 50 7.498 -2.445 4.581 1.00 0.00 H new ATOM 0 HD21 LEU A 50 5.805 -2.875 2.033 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.818 -4.007 3.407 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.279 -3.319 2.835 1.00 0.00 H new ATOM 561 N HIS A 51 5.735 -5.427 5.452 1.00 0.00 N ATOM 562 CA HIS A 51 6.736 -6.331 6.018 1.00 0.00 C ATOM 563 C HIS A 51 7.915 -6.440 5.056 1.00 0.00 C ATOM 564 O HIS A 51 7.784 -6.135 3.869 1.00 0.00 O ATOM 565 CB HIS A 51 6.178 -7.743 6.267 1.00 0.00 C ATOM 566 CG HIS A 51 4.797 -7.808 6.845 1.00 0.00 C ATOM 567 ND1 HIS A 51 4.549 -7.929 8.193 1.00 0.00 N ATOM 568 CD2 HIS A 51 3.586 -7.825 6.241 1.00 0.00 C ATOM 569 CE1 HIS A 51 3.250 -8.022 8.392 1.00 0.00 C ATOM 570 NE2 HIS A 51 2.638 -7.964 7.224 1.00 0.00 N ATOM 0 H HIS A 51 5.621 -5.515 4.442 1.00 0.00 H new ATOM 0 HA HIS A 51 7.043 -5.915 6.977 1.00 0.00 H new ATOM 0 HB2 HIS A 51 6.181 -8.286 5.322 1.00 0.00 H new ATOM 0 HB3 HIS A 51 6.857 -8.268 6.939 1.00 0.00 H new ATOM 0 HD1 HIS A 51 5.260 -7.944 8.924 1.00 0.00 H new ATOM 0 HD2 HIS A 51 3.400 -7.744 5.180 1.00 0.00 H new ATOM 0 HE1 HIS A 51 2.766 -8.128 9.352 1.00 0.00 H new ATOM 579 N SER A 52 9.063 -6.867 5.561 1.00 0.00 N ATOM 580 CA SER A 52 10.244 -7.070 4.731 1.00 0.00 C ATOM 581 C SER A 52 11.098 -8.209 5.286 1.00 0.00 C ATOM 582 O SER A 52 11.948 -8.000 6.153 1.00 0.00 O ATOM 583 CB SER A 52 11.069 -5.782 4.651 1.00 0.00 C ATOM 584 OG SER A 52 10.246 -4.665 4.359 1.00 0.00 O ATOM 0 H SER A 52 9.203 -7.081 6.548 1.00 0.00 H new ATOM 0 HA SER A 52 9.916 -7.338 3.727 1.00 0.00 H new ATOM 0 HB2 SER A 52 11.587 -5.619 5.596 1.00 0.00 H new ATOM 0 HB3 SER A 52 11.835 -5.884 3.882 1.00 0.00 H new ATOM 0 HG SER A 52 10.707 -3.841 4.623 1.00 0.00 H new ATOM 590 N THR A 53 10.870 -9.414 4.775 1.00 0.00 N ATOM 591 CA THR A 53 11.571 -10.601 5.245 1.00 0.00 C ATOM 592 C THR A 53 12.991 -10.687 4.672 1.00 0.00 C ATOM 593 O THR A 53 13.313 -11.604 3.915 1.00 0.00 O ATOM 594 CB THR A 53 10.785 -11.868 4.858 1.00 0.00 C ATOM 595 OG1 THR A 53 9.699 -11.518 3.983 1.00 0.00 O ATOM 596 CG2 THR A 53 10.236 -12.563 6.094 1.00 0.00 C ATOM 0 H THR A 53 10.199 -9.594 4.028 1.00 0.00 H new ATOM 0 HA THR A 53 11.646 -10.528 6.330 1.00 0.00 H new ATOM 0 HB THR A 53 11.464 -12.550 4.347 1.00 0.00 H new ATOM 0 HG1 THR A 53 10.052 -11.290 3.098 1.00 0.00 H new ATOM 0 HG21 THR A 53 9.685 -13.455 5.795 1.00 0.00 H new ATOM 0 HG22 THR A 53 11.060 -12.848 6.748 1.00 0.00 H new ATOM 0 HG23 THR A 53 9.569 -11.885 6.626 1.00 0.00 H new ATOM 604 N ASN A 54 13.839 -9.733 5.042 1.00 0.00 N ATOM 605 CA ASN A 54 15.218 -9.682 4.549 1.00 0.00 C ATOM 606 C ASN A 54 16.147 -9.250 5.671 1.00 0.00 C ATOM 607 O ASN A 54 15.716 -9.116 6.814 1.00 0.00 O ATOM 608 CB ASN A 54 15.356 -8.702 3.368 1.00 0.00 C ATOM 609 CG ASN A 54 14.254 -8.845 2.342 1.00 0.00 C ATOM 610 OD1 ASN A 54 14.334 -9.668 1.431 1.00 0.00 O ATOM 611 ND2 ASN A 54 13.216 -8.036 2.480 1.00 0.00 N ATOM 0 H ASN A 54 13.597 -8.979 5.685 1.00 0.00 H new ATOM 0 HA ASN A 54 15.488 -10.679 4.202 1.00 0.00 H new ATOM 0 HB2 ASN A 54 15.357 -7.681 3.750 1.00 0.00 H new ATOM 0 HB3 ASN A 54 16.319 -8.862 2.882 1.00 0.00 H new ATOM 0 HD21 ASN A 54 12.443 -8.081 1.816 1.00 0.00 H new ATOM 0 HD22 ASN A 54 13.189 -7.368 3.250 1.00 0.00 H new ATOM 618 N VAL A 55 17.418 -9.035 5.344 1.00 0.00 N ATOM 619 CA VAL A 55 18.379 -8.518 6.313 1.00 0.00 C ATOM 620 C VAL A 55 17.975 -7.118 6.748 1.00 0.00 C ATOM 621 O VAL A 55 17.570 -6.893 7.890 1.00 0.00 O ATOM 622 CB VAL A 55 19.811 -8.443 5.737 1.00 0.00 C ATOM 623 CG1 VAL A 55 20.841 -8.658 6.834 1.00 0.00 C ATOM 624 CG2 VAL A 55 20.011 -9.449 4.612 1.00 0.00 C ATOM 0 H VAL A 55 17.806 -9.210 4.417 1.00 0.00 H new ATOM 0 HA VAL A 55 18.376 -9.209 7.156 1.00 0.00 H new ATOM 0 HB VAL A 55 19.949 -7.445 5.320 1.00 0.00 H new ATOM 0 HG11 VAL A 55 21.843 -8.602 6.408 1.00 0.00 H new ATOM 0 HG12 VAL A 55 20.727 -7.888 7.597 1.00 0.00 H new ATOM 0 HG13 VAL A 55 20.693 -9.639 7.285 1.00 0.00 H new ATOM 0 HG21 VAL A 55 21.029 -9.370 4.230 1.00 0.00 H new ATOM 0 HG22 VAL A 55 19.844 -10.457 4.991 1.00 0.00 H new ATOM 0 HG23 VAL A 55 19.304 -9.242 3.809 1.00 0.00 H new ATOM 634 N ASN A 56 18.069 -6.183 5.815 1.00 0.00 N ATOM 635 CA ASN A 56 17.724 -4.801 6.087 1.00 0.00 C ATOM 636 C ASN A 56 16.276 -4.541 5.722 1.00 0.00 C ATOM 637 O ASN A 56 15.941 -4.362 4.550 1.00 0.00 O ATOM 638 CB ASN A 56 18.639 -3.847 5.312 1.00 0.00 C ATOM 639 CG ASN A 56 19.790 -3.345 6.158 1.00 0.00 C ATOM 640 OD1 ASN A 56 20.636 -4.124 6.595 1.00 0.00 O ATOM 641 ND2 ASN A 56 19.835 -2.045 6.393 1.00 0.00 N ATOM 0 H ASN A 56 18.383 -6.360 4.861 1.00 0.00 H new ATOM 0 HA ASN A 56 17.861 -4.620 7.153 1.00 0.00 H new ATOM 0 HB2 ASN A 56 19.032 -4.357 4.433 1.00 0.00 H new ATOM 0 HB3 ASN A 56 18.056 -2.998 4.954 1.00 0.00 H new ATOM 0 HD21 ASN A 56 20.591 -1.654 6.955 1.00 0.00 H new ATOM 0 HD22 ASN A 56 19.114 -1.433 6.012 1.00 0.00 H new ATOM 648 N ALA A 57 15.414 -4.540 6.727 1.00 0.00 N ATOM 649 CA ALA A 57 14.007 -4.206 6.538 1.00 0.00 C ATOM 650 C ALA A 57 13.843 -2.694 6.430 1.00 0.00 C ATOM 651 O ALA A 57 12.976 -2.102 7.060 1.00 0.00 O ATOM 652 CB ALA A 57 13.176 -4.752 7.690 1.00 0.00 C ATOM 0 H ALA A 57 15.665 -4.768 7.689 1.00 0.00 H new ATOM 0 HA ALA A 57 13.654 -4.664 5.614 1.00 0.00 H new ATOM 0 HB1 ALA A 57 12.128 -4.495 7.536 1.00 0.00 H new ATOM 0 HB2 ALA A 57 13.282 -5.836 7.733 1.00 0.00 H new ATOM 0 HB3 ALA A 57 13.522 -4.316 8.627 1.00 0.00 H new ATOM 658 N ASP A 58 14.680 -2.082 5.606 1.00 0.00 N ATOM 659 CA ASP A 58 14.740 -0.633 5.497 1.00 0.00 C ATOM 660 C ASP A 58 13.698 -0.110 4.520 1.00 0.00 C ATOM 661 O ASP A 58 14.012 0.647 3.602 1.00 0.00 O ATOM 662 CB ASP A 58 16.135 -0.198 5.054 1.00 0.00 C ATOM 663 CG ASP A 58 16.707 0.885 5.939 1.00 0.00 C ATOM 664 OD1 ASP A 58 15.967 1.823 6.293 1.00 0.00 O ATOM 665 OD2 ASP A 58 17.901 0.799 6.289 1.00 0.00 O ATOM 0 H ASP A 58 15.334 -2.574 4.997 1.00 0.00 H new ATOM 0 HA ASP A 58 14.525 -0.212 6.479 1.00 0.00 H new ATOM 0 HB2 ASP A 58 16.802 -1.060 5.062 1.00 0.00 H new ATOM 0 HB3 ASP A 58 16.092 0.161 4.026 1.00 0.00 H new ATOM 670 N MET A 59 12.459 -0.519 4.718 1.00 0.00 N ATOM 671 CA MET A 59 11.369 -0.086 3.866 1.00 0.00 C ATOM 672 C MET A 59 10.410 0.789 4.653 1.00 0.00 C ATOM 673 O MET A 59 10.141 0.533 5.824 1.00 0.00 O ATOM 674 CB MET A 59 10.622 -1.288 3.287 1.00 0.00 C ATOM 675 CG MET A 59 10.183 -1.092 1.844 1.00 0.00 C ATOM 676 SD MET A 59 9.880 -2.652 0.991 1.00 0.00 S ATOM 677 CE MET A 59 11.423 -3.510 1.298 1.00 0.00 C ATOM 0 H MET A 59 12.182 -1.154 5.466 1.00 0.00 H new ATOM 0 HA MET A 59 11.787 0.491 3.041 1.00 0.00 H new ATOM 0 HB2 MET A 59 11.263 -2.167 3.347 1.00 0.00 H new ATOM 0 HB3 MET A 59 9.745 -1.491 3.901 1.00 0.00 H new ATOM 0 HG2 MET A 59 9.275 -0.489 1.823 1.00 0.00 H new ATOM 0 HG3 MET A 59 10.950 -0.532 1.308 1.00 0.00 H new ATOM 0 HE1 MET A 59 11.598 -4.239 0.507 1.00 0.00 H new ATOM 0 HE2 MET A 59 12.242 -2.791 1.316 1.00 0.00 H new ATOM 0 HE3 MET A 59 11.369 -4.023 2.258 1.00 0.00 H new ATOM 687 N THR A 60 9.909 1.826 4.013 1.00 0.00 N ATOM 688 CA THR A 60 8.982 2.732 4.657 1.00 0.00 C ATOM 689 C THR A 60 7.642 2.731 3.936 1.00 0.00 C ATOM 690 O THR A 60 7.569 3.047 2.745 1.00 0.00 O ATOM 691 CB THR A 60 9.547 4.163 4.700 1.00 0.00 C ATOM 692 OG1 THR A 60 10.965 4.132 4.479 1.00 0.00 O ATOM 693 CG2 THR A 60 9.248 4.818 6.039 1.00 0.00 C ATOM 0 H THR A 60 10.129 2.062 3.045 1.00 0.00 H new ATOM 0 HA THR A 60 8.836 2.384 5.680 1.00 0.00 H new ATOM 0 HB THR A 60 9.070 4.748 3.914 1.00 0.00 H new ATOM 0 HG1 THR A 60 11.320 5.045 4.505 1.00 0.00 H new ATOM 0 HG21 THR A 60 9.656 5.829 6.049 1.00 0.00 H new ATOM 0 HG22 THR A 60 8.169 4.860 6.191 1.00 0.00 H new ATOM 0 HG23 THR A 60 9.704 4.235 6.839 1.00 0.00 H new ATOM 701 N LEU A 61 6.596 2.355 4.659 1.00 0.00 N ATOM 702 CA LEU A 61 5.252 2.348 4.108 1.00 0.00 C ATOM 703 C LEU A 61 4.657 3.740 4.253 1.00 0.00 C ATOM 704 O LEU A 61 4.346 4.187 5.357 1.00 0.00 O ATOM 705 CB LEU A 61 4.394 1.295 4.822 1.00 0.00 C ATOM 706 CG LEU A 61 2.885 1.379 4.589 1.00 0.00 C ATOM 707 CD1 LEU A 61 2.566 1.423 3.107 1.00 0.00 C ATOM 708 CD2 LEU A 61 2.187 0.201 5.246 1.00 0.00 C ATOM 0 H LEU A 61 6.655 2.050 5.631 1.00 0.00 H new ATOM 0 HA LEU A 61 5.280 2.085 3.051 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.734 0.308 4.510 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.580 1.372 5.893 1.00 0.00 H new ATOM 0 HG LEU A 61 2.520 2.302 5.040 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.486 1.483 2.969 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.038 2.297 2.659 1.00 0.00 H new ATOM 0 HD13 LEU A 61 2.944 0.521 2.627 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.113 0.272 5.073 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.563 -0.729 4.819 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.384 0.213 6.318 1.00 0.00 H new ATOM 720 N ILE A 62 4.528 4.437 3.143 1.00 0.00 N ATOM 721 CA ILE A 62 4.121 5.826 3.180 1.00 0.00 C ATOM 722 C ILE A 62 2.837 6.059 2.386 1.00 0.00 C ATOM 723 O ILE A 62 2.743 5.731 1.205 1.00 0.00 O ATOM 724 CB ILE A 62 5.262 6.745 2.681 1.00 0.00 C ATOM 725 CG1 ILE A 62 4.794 8.191 2.559 1.00 0.00 C ATOM 726 CG2 ILE A 62 5.828 6.255 1.358 1.00 0.00 C ATOM 727 CD1 ILE A 62 5.916 9.182 2.745 1.00 0.00 C ATOM 0 H ILE A 62 4.698 4.066 2.208 1.00 0.00 H new ATOM 0 HA ILE A 62 3.908 6.081 4.218 1.00 0.00 H new ATOM 0 HB ILE A 62 6.058 6.707 3.425 1.00 0.00 H new ATOM 0 HG12 ILE A 62 4.341 8.341 1.579 1.00 0.00 H new ATOM 0 HG13 ILE A 62 4.019 8.382 3.301 1.00 0.00 H new ATOM 0 HG21 ILE A 62 6.627 6.922 1.035 1.00 0.00 H new ATOM 0 HG22 ILE A 62 6.224 5.247 1.483 1.00 0.00 H new ATOM 0 HG23 ILE A 62 5.039 6.244 0.606 1.00 0.00 H new ATOM 0 HD11 ILE A 62 5.526 10.195 2.648 1.00 0.00 H new ATOM 0 HD12 ILE A 62 6.353 9.055 3.735 1.00 0.00 H new ATOM 0 HD13 ILE A 62 6.680 9.013 1.986 1.00 0.00 H new ATOM 739 N LEU A 63 1.841 6.609 3.069 1.00 0.00 N ATOM 740 CA LEU A 63 0.562 6.931 2.451 1.00 0.00 C ATOM 741 C LEU A 63 0.649 8.316 1.867 1.00 0.00 C ATOM 742 O LEU A 63 0.592 9.309 2.592 1.00 0.00 O ATOM 743 CB LEU A 63 -0.585 6.868 3.464 1.00 0.00 C ATOM 744 CG LEU A 63 -0.709 5.559 4.242 1.00 0.00 C ATOM 745 CD1 LEU A 63 -2.161 5.302 4.632 1.00 0.00 C ATOM 746 CD2 LEU A 63 -0.151 4.410 3.417 1.00 0.00 C ATOM 0 H LEU A 63 1.896 6.843 4.060 1.00 0.00 H new ATOM 0 HA LEU A 63 0.353 6.197 1.672 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.461 7.683 4.177 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -1.522 7.046 2.936 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.128 5.637 5.161 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.229 4.365 5.185 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.520 6.120 5.257 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.773 5.237 3.733 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.243 3.480 3.979 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -0.709 4.327 2.484 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.900 4.598 3.196 1.00 0.00 H new ATOM 758 N LEU A 64 0.824 8.382 0.571 1.00 0.00 N ATOM 759 CA LEU A 64 1.115 9.657 -0.059 1.00 0.00 C ATOM 760 C LEU A 64 0.262 9.935 -1.282 1.00 0.00 C ATOM 761 O LEU A 64 0.086 9.078 -2.125 1.00 0.00 O ATOM 762 CB LEU A 64 2.594 9.708 -0.441 1.00 0.00 C ATOM 763 CG LEU A 64 2.880 10.108 -1.886 1.00 0.00 C ATOM 764 CD1 LEU A 64 3.220 11.586 -1.976 1.00 0.00 C ATOM 765 CD2 LEU A 64 3.998 9.255 -2.451 1.00 0.00 C ATOM 0 H LEU A 64 0.773 7.586 -0.064 1.00 0.00 H new ATOM 0 HA LEU A 64 0.875 10.432 0.669 1.00 0.00 H new ATOM 0 HB2 LEU A 64 3.099 10.412 0.220 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.034 8.727 -0.259 1.00 0.00 H new ATOM 0 HG LEU A 64 1.984 9.937 -2.482 1.00 0.00 H new ATOM 0 HD11 LEU A 64 3.420 11.851 -3.014 1.00 0.00 H new ATOM 0 HD12 LEU A 64 2.381 12.176 -1.607 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.103 11.794 -1.372 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.194 9.549 -3.482 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.900 9.397 -1.856 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.705 8.205 -2.422 1.00 0.00 H new ATOM 777 N ARG A 65 -0.230 11.156 -1.407 1.00 0.00 N ATOM 778 CA ARG A 65 -0.917 11.539 -2.623 1.00 0.00 C ATOM 779 C ARG A 65 -0.248 12.743 -3.263 1.00 0.00 C ATOM 780 O ARG A 65 -0.334 13.861 -2.753 1.00 0.00 O ATOM 781 CB ARG A 65 -2.384 11.852 -2.369 1.00 0.00 C ATOM 782 CG ARG A 65 -3.166 12.124 -3.648 1.00 0.00 C ATOM 783 CD ARG A 65 -3.929 10.892 -4.125 1.00 0.00 C ATOM 784 NE ARG A 65 -5.371 11.133 -4.171 1.00 0.00 N ATOM 785 CZ ARG A 65 -6.303 10.198 -3.953 1.00 0.00 C ATOM 786 NH1 ARG A 65 -5.952 8.929 -3.744 1.00 0.00 N ATOM 787 NH2 ARG A 65 -7.586 10.538 -3.949 1.00 0.00 N ATOM 0 H ARG A 65 -0.168 11.884 -0.696 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.860 10.688 -3.302 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -2.842 11.016 -1.841 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -2.456 12.720 -1.714 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -3.867 12.941 -3.477 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -2.480 12.451 -4.430 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -3.576 10.606 -5.116 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -3.721 10.055 -3.459 1.00 0.00 H new ATOM 0 HE ARG A 65 -5.688 12.079 -4.384 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -4.967 8.665 -3.750 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -6.669 8.222 -3.579 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -7.857 11.508 -4.112 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -8.301 9.829 -3.783 1.00 0.00 H new ATOM 801 N ASN A 66 0.439 12.499 -4.362 1.00 0.00 N ATOM 802 CA ASN A 66 0.965 13.560 -5.196 1.00 0.00 C ATOM 803 C ASN A 66 0.623 13.267 -6.644 1.00 0.00 C ATOM 804 O ASN A 66 1.307 12.482 -7.307 1.00 0.00 O ATOM 805 CB ASN A 66 2.481 13.701 -5.034 1.00 0.00 C ATOM 806 CG ASN A 66 3.076 14.720 -5.996 1.00 0.00 C ATOM 807 OD1 ASN A 66 3.320 15.869 -5.636 1.00 0.00 O ATOM 808 ND2 ASN A 66 3.312 14.304 -7.235 1.00 0.00 N ATOM 0 H ASN A 66 0.648 11.560 -4.701 1.00 0.00 H new ATOM 0 HA ASN A 66 0.511 14.502 -4.887 1.00 0.00 H new ATOM 0 HB2 ASN A 66 2.708 13.997 -4.010 1.00 0.00 H new ATOM 0 HB3 ASN A 66 2.953 12.732 -5.198 1.00 0.00 H new ATOM 0 HD21 ASN A 66 3.708 14.946 -7.922 1.00 0.00 H new ATOM 0 HD22 ASN A 66 3.097 13.343 -7.500 1.00 0.00 H new ATOM 815 N VAL A 67 -0.438 13.862 -7.129 1.00 0.00 N ATOM 816 CA VAL A 67 -0.803 13.706 -8.517 1.00 0.00 C ATOM 817 C VAL A 67 -1.030 15.078 -9.141 1.00 0.00 C ATOM 818 O VAL A 67 -1.910 15.833 -8.725 1.00 0.00 O ATOM 819 CB VAL A 67 -2.041 12.791 -8.683 1.00 0.00 C ATOM 820 CG1 VAL A 67 -3.184 13.234 -7.779 1.00 0.00 C ATOM 821 CG2 VAL A 67 -2.490 12.733 -10.138 1.00 0.00 C ATOM 0 H VAL A 67 -1.063 14.457 -6.586 1.00 0.00 H new ATOM 0 HA VAL A 67 0.017 13.214 -9.041 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.748 11.786 -8.380 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -4.037 12.571 -7.920 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.861 13.194 -6.739 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.472 14.255 -8.031 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -3.361 12.083 -10.224 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -2.750 13.735 -10.479 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.681 12.339 -10.753 1.00 0.00 H new ATOM 831 N GLY A 68 -0.214 15.403 -10.130 1.00 0.00 N ATOM 832 CA GLY A 68 -0.193 16.751 -10.656 1.00 0.00 C ATOM 833 C GLY A 68 0.811 17.612 -9.915 1.00 0.00 C ATOM 834 O GLY A 68 0.776 18.840 -9.989 1.00 0.00 O ATOM 0 H GLY A 68 0.435 14.757 -10.579 1.00 0.00 H new ATOM 0 HA2 GLY A 68 0.057 16.727 -11.717 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -1.186 17.192 -10.573 1.00 0.00 H new ATOM 838 N GLY A 69 1.708 16.952 -9.192 1.00 0.00 N ATOM 839 CA GLY A 69 2.731 17.652 -8.441 1.00 0.00 C ATOM 840 C GLY A 69 4.124 17.342 -8.950 1.00 0.00 C ATOM 841 O GLY A 69 4.303 17.054 -10.133 1.00 0.00 O ATOM 0 H GLY A 69 1.744 15.936 -9.113 1.00 0.00 H new ATOM 0 HA2 GLY A 69 2.554 18.726 -8.502 1.00 0.00 H new ATOM 0 HA3 GLY A 69 2.660 17.376 -7.389 1.00 0.00 H new ATOM 845 N ASN A 70 5.103 17.372 -8.054 1.00 0.00 N ATOM 846 CA ASN A 70 6.499 17.152 -8.432 1.00 0.00 C ATOM 847 C ASN A 70 6.803 15.662 -8.604 1.00 0.00 C ATOM 848 O ASN A 70 7.608 15.278 -9.453 1.00 0.00 O ATOM 849 CB ASN A 70 7.437 17.793 -7.390 1.00 0.00 C ATOM 850 CG ASN A 70 8.307 16.787 -6.646 1.00 0.00 C ATOM 851 OD1 ASN A 70 9.392 16.424 -7.102 1.00 0.00 O ATOM 852 ND2 ASN A 70 7.838 16.340 -5.490 1.00 0.00 N ATOM 0 H ASN A 70 4.959 17.546 -7.059 1.00 0.00 H new ATOM 0 HA ASN A 70 6.672 17.630 -9.396 1.00 0.00 H new ATOM 0 HB2 ASN A 70 8.081 18.516 -7.890 1.00 0.00 H new ATOM 0 HB3 ASN A 70 6.838 18.346 -6.667 1.00 0.00 H new ATOM 0 HD21 ASN A 70 8.381 15.671 -4.944 1.00 0.00 H new ATOM 0 HD22 ASN A 70 6.934 16.665 -5.146 1.00 0.00 H new ATOM 859 N GLY A 71 6.145 14.827 -7.811 1.00 0.00 N ATOM 860 CA GLY A 71 6.391 13.396 -7.857 1.00 0.00 C ATOM 861 C GLY A 71 6.000 12.737 -6.554 1.00 0.00 C ATOM 862 O GLY A 71 5.776 13.433 -5.564 1.00 0.00 O ATOM 0 H GLY A 71 5.441 15.116 -7.132 1.00 0.00 H new ATOM 0 HA2 GLY A 71 5.826 12.952 -8.677 1.00 0.00 H new ATOM 0 HA3 GLY A 71 7.446 13.211 -8.060 1.00 0.00 H new ATOM 866 N TRP A 72 5.903 11.409 -6.548 1.00 0.00 N ATOM 867 CA TRP A 72 5.496 10.673 -5.350 1.00 0.00 C ATOM 868 C TRP A 72 6.492 10.906 -4.210 1.00 0.00 C ATOM 869 O TRP A 72 7.536 10.255 -4.140 1.00 0.00 O ATOM 870 CB TRP A 72 5.377 9.170 -5.647 1.00 0.00 C ATOM 871 CG TRP A 72 4.244 8.806 -6.570 1.00 0.00 C ATOM 872 CD1 TRP A 72 4.347 8.159 -7.765 1.00 0.00 C ATOM 873 CD2 TRP A 72 2.843 9.037 -6.367 1.00 0.00 C ATOM 874 NE1 TRP A 72 3.107 8.006 -8.332 1.00 0.00 N ATOM 875 CE2 TRP A 72 2.167 8.526 -7.490 1.00 0.00 C ATOM 876 CE3 TRP A 72 2.092 9.631 -5.356 1.00 0.00 C ATOM 877 CZ2 TRP A 72 0.780 8.586 -7.620 1.00 0.00 C ATOM 878 CZ3 TRP A 72 0.723 9.686 -5.487 1.00 0.00 C ATOM 879 CH2 TRP A 72 0.076 9.171 -6.607 1.00 0.00 C ATOM 0 H TRP A 72 6.100 10.820 -7.357 1.00 0.00 H new ATOM 0 HA TRP A 72 4.518 11.044 -5.043 1.00 0.00 H new ATOM 0 HB2 TRP A 72 6.313 8.824 -6.086 1.00 0.00 H new ATOM 0 HB3 TRP A 72 5.249 8.635 -4.706 1.00 0.00 H new ATOM 0 HD1 TRP A 72 5.273 7.816 -8.203 1.00 0.00 H new ATOM 0 HE1 TRP A 72 2.918 7.574 -9.236 1.00 0.00 H new ATOM 0 HE3 TRP A 72 2.576 10.042 -4.483 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 0.281 8.185 -8.490 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 0.136 10.140 -4.702 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -1.000 9.235 -6.676 1.00 0.00 H new ATOM 890 N GLY A 73 6.160 11.836 -3.322 1.00 0.00 N ATOM 891 CA GLY A 73 7.065 12.205 -2.251 1.00 0.00 C ATOM 892 C GLY A 73 6.615 11.718 -0.885 1.00 0.00 C ATOM 893 O GLY A 73 6.135 10.595 -0.741 1.00 0.00 O ATOM 0 H GLY A 73 5.275 12.343 -3.326 1.00 0.00 H new ATOM 0 HA2 GLY A 73 8.054 11.799 -2.465 1.00 0.00 H new ATOM 0 HA3 GLY A 73 7.164 13.290 -2.227 1.00 0.00 H new ATOM 897 N GLU A 74 6.784 12.564 0.123 1.00 0.00 N ATOM 898 CA GLU A 74 6.495 12.191 1.500 1.00 0.00 C ATOM 899 C GLU A 74 5.174 12.776 2.011 1.00 0.00 C ATOM 900 O GLU A 74 4.902 13.968 1.855 1.00 0.00 O ATOM 901 CB GLU A 74 7.652 12.611 2.420 1.00 0.00 C ATOM 902 CG GLU A 74 7.833 14.120 2.549 1.00 0.00 C ATOM 903 CD GLU A 74 8.444 14.744 1.312 1.00 0.00 C ATOM 904 OE1 GLU A 74 9.669 14.614 1.123 1.00 0.00 O ATOM 905 OE2 GLU A 74 7.695 15.353 0.515 1.00 0.00 O ATOM 0 H GLU A 74 7.122 13.520 0.010 1.00 0.00 H new ATOM 0 HA GLU A 74 6.389 11.106 1.516 1.00 0.00 H new ATOM 0 HB2 GLU A 74 7.484 12.191 3.411 1.00 0.00 H new ATOM 0 HB3 GLU A 74 8.578 12.176 2.042 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.865 14.582 2.744 1.00 0.00 H new ATOM 0 HG3 GLU A 74 8.467 14.333 3.409 1.00 0.00 H new ATOM 912 N ILE A 75 4.354 11.918 2.612 1.00 0.00 N ATOM 913 CA ILE A 75 3.179 12.351 3.358 1.00 0.00 C ATOM 914 C ILE A 75 3.124 11.605 4.696 1.00 0.00 C ATOM 915 O ILE A 75 3.794 11.998 5.649 1.00 0.00 O ATOM 916 CB ILE A 75 1.857 12.130 2.572 1.00 0.00 C ATOM 917 CG1 ILE A 75 1.926 12.792 1.188 1.00 0.00 C ATOM 918 CG2 ILE A 75 0.661 12.666 3.359 1.00 0.00 C ATOM 919 CD1 ILE A 75 1.681 14.286 1.200 1.00 0.00 C ATOM 0 H ILE A 75 4.486 10.907 2.595 1.00 0.00 H new ATOM 0 HA ILE A 75 3.272 13.424 3.526 1.00 0.00 H new ATOM 0 HB ILE A 75 1.725 11.057 2.433 1.00 0.00 H new ATOM 0 HG12 ILE A 75 2.908 12.600 0.755 1.00 0.00 H new ATOM 0 HG13 ILE A 75 1.191 12.320 0.535 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.253 12.500 2.789 1.00 0.00 H new ATOM 0 HG22 ILE A 75 0.592 12.147 4.315 1.00 0.00 H new ATOM 0 HG23 ILE A 75 0.790 13.734 3.535 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.748 14.674 0.184 1.00 0.00 H new ATOM 0 HD12 ILE A 75 0.688 14.489 1.601 1.00 0.00 H new ATOM 0 HD13 ILE A 75 2.431 14.773 1.824 1.00 0.00 H new ATOM 931 N LYS A 76 2.360 10.515 4.754 1.00 0.00 N ATOM 932 CA LYS A 76 2.180 9.759 5.994 1.00 0.00 C ATOM 933 C LYS A 76 3.037 8.490 6.014 1.00 0.00 C ATOM 934 O LYS A 76 2.671 7.480 5.415 1.00 0.00 O ATOM 935 CB LYS A 76 0.701 9.396 6.170 1.00 0.00 C ATOM 936 CG LYS A 76 0.394 8.683 7.477 1.00 0.00 C ATOM 937 CD LYS A 76 -0.296 7.355 7.228 1.00 0.00 C ATOM 938 CE LYS A 76 0.355 6.227 8.011 1.00 0.00 C ATOM 939 NZ LYS A 76 1.674 5.840 7.443 1.00 0.00 N ATOM 0 H LYS A 76 1.854 10.134 3.954 1.00 0.00 H new ATOM 0 HA LYS A 76 2.504 10.390 6.821 1.00 0.00 H new ATOM 0 HB2 LYS A 76 0.104 10.307 6.115 1.00 0.00 H new ATOM 0 HB3 LYS A 76 0.391 8.761 5.340 1.00 0.00 H new ATOM 0 HG2 LYS A 76 1.319 8.517 8.030 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -0.240 9.315 8.099 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -1.347 7.433 7.508 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.266 7.123 6.163 1.00 0.00 H new ATOM 0 HE2 LYS A 76 0.484 6.534 9.049 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -0.306 5.360 8.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 1.695 4.812 7.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 1.821 6.334 6.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 2.429 6.103 8.108 1.00 0.00 H new ATOM 953 N ARG A 77 4.146 8.524 6.738 1.00 0.00 N ATOM 954 CA ARG A 77 5.060 7.383 6.809 1.00 0.00 C ATOM 955 C ARG A 77 4.640 6.421 7.920 1.00 0.00 C ATOM 956 O ARG A 77 3.898 6.801 8.824 1.00 0.00 O ATOM 957 CB ARG A 77 6.487 7.868 7.078 1.00 0.00 C ATOM 958 CG ARG A 77 7.318 8.081 5.825 1.00 0.00 C ATOM 959 CD ARG A 77 8.058 9.411 5.864 1.00 0.00 C ATOM 960 NE ARG A 77 8.936 9.527 7.030 1.00 0.00 N ATOM 961 CZ ARG A 77 10.268 9.593 6.962 1.00 0.00 C ATOM 962 NH1 ARG A 77 10.885 9.497 5.790 1.00 0.00 N ATOM 963 NH2 ARG A 77 10.984 9.747 8.070 1.00 0.00 N ATOM 0 H ARG A 77 4.440 9.331 7.288 1.00 0.00 H new ATOM 0 HA ARG A 77 5.023 6.860 5.853 1.00 0.00 H new ATOM 0 HB2 ARG A 77 6.442 8.804 7.634 1.00 0.00 H new ATOM 0 HB3 ARG A 77 6.991 7.142 7.716 1.00 0.00 H new ATOM 0 HG2 ARG A 77 8.036 7.267 5.721 1.00 0.00 H new ATOM 0 HG3 ARG A 77 6.671 8.049 4.948 1.00 0.00 H new ATOM 0 HD2 ARG A 77 8.649 9.522 4.955 1.00 0.00 H new ATOM 0 HD3 ARG A 77 7.334 10.226 5.875 1.00 0.00 H new ATOM 0 HE ARG A 77 8.503 9.559 7.953 1.00 0.00 H new ATOM 0 HH11 ARG A 77 10.341 9.372 4.936 1.00 0.00 H new ATOM 0 HH12 ARG A 77 11.903 9.548 5.744 1.00 0.00 H new ATOM 0 HH21 ARG A 77 10.516 9.815 8.974 1.00 0.00 H new ATOM 0 HH22 ARG A 77 12.001 9.797 8.017 1.00 0.00 H new ATOM 977 N ASN A 78 5.059 5.161 7.821 1.00 0.00 N ATOM 978 CA ASN A 78 4.914 4.222 8.933 1.00 0.00 C ATOM 979 C ASN A 78 5.977 3.130 8.889 1.00 0.00 C ATOM 980 O ASN A 78 6.605 2.888 7.851 1.00 0.00 O ATOM 981 CB ASN A 78 3.495 3.625 9.033 1.00 0.00 C ATOM 982 CG ASN A 78 3.115 2.635 7.953 1.00 0.00 C ATOM 983 OD1 ASN A 78 2.335 2.964 7.055 1.00 0.00 O ATOM 984 ND2 ASN A 78 3.610 1.406 8.062 1.00 0.00 N ATOM 0 H ASN A 78 5.499 4.768 6.989 1.00 0.00 H new ATOM 0 HA ASN A 78 5.069 4.802 9.843 1.00 0.00 H new ATOM 0 HB2 ASN A 78 3.397 3.133 10.001 1.00 0.00 H new ATOM 0 HB3 ASN A 78 2.776 4.444 9.017 1.00 0.00 H new ATOM 0 HD21 ASN A 78 3.348 0.689 7.386 1.00 0.00 H new ATOM 0 HD22 ASN A 78 4.252 1.180 8.822 1.00 0.00 H new ATOM 991 N ASP A 79 6.136 2.472 10.034 1.00 0.00 N ATOM 992 CA ASP A 79 7.246 1.557 10.302 1.00 0.00 C ATOM 993 C ASP A 79 7.101 0.226 9.566 1.00 0.00 C ATOM 994 O ASP A 79 6.039 -0.083 9.021 1.00 0.00 O ATOM 995 CB ASP A 79 7.311 1.319 11.814 1.00 0.00 C ATOM 996 CG ASP A 79 8.591 0.664 12.282 1.00 0.00 C ATOM 997 OD1 ASP A 79 9.615 0.767 11.581 1.00 0.00 O ATOM 998 OD2 ASP A 79 8.572 0.048 13.372 1.00 0.00 O ATOM 0 H ASP A 79 5.487 2.560 10.816 1.00 0.00 H new ATOM 0 HA ASP A 79 8.166 2.012 9.936 1.00 0.00 H new ATOM 0 HB2 ASP A 79 7.196 2.274 12.326 1.00 0.00 H new ATOM 0 HB3 ASP A 79 6.467 0.695 12.109 1.00 0.00 H new ATOM 1003 N ILE A 80 8.175 -0.558 9.573 1.00 0.00 N ATOM 1004 CA ILE A 80 8.202 -1.857 8.912 1.00 0.00 C ATOM 1005 C ILE A 80 7.647 -2.940 9.826 1.00 0.00 C ATOM 1006 O ILE A 80 7.690 -2.810 11.051 1.00 0.00 O ATOM 1007 CB ILE A 80 9.629 -2.264 8.483 1.00 0.00 C ATOM 1008 CG1 ILE A 80 10.642 -1.166 8.832 1.00 0.00 C ATOM 1009 CG2 ILE A 80 9.662 -2.570 6.994 1.00 0.00 C ATOM 1010 CD1 ILE A 80 11.544 -1.521 9.996 1.00 0.00 C ATOM 0 H ILE A 80 9.049 -0.311 10.036 1.00 0.00 H new ATOM 0 HA ILE A 80 7.581 -1.761 8.021 1.00 0.00 H new ATOM 0 HB ILE A 80 9.909 -3.164 9.031 1.00 0.00 H new ATOM 0 HG12 ILE A 80 11.257 -0.959 7.956 1.00 0.00 H new ATOM 0 HG13 ILE A 80 10.104 -0.248 9.067 1.00 0.00 H new ATOM 0 HG21 ILE A 80 10.673 -2.856 6.704 1.00 0.00 H new ATOM 0 HG22 ILE A 80 8.977 -3.389 6.776 1.00 0.00 H new ATOM 0 HG23 ILE A 80 9.360 -1.685 6.434 1.00 0.00 H new ATOM 0 HD11 ILE A 80 12.234 -0.699 10.186 1.00 0.00 H new ATOM 0 HD12 ILE A 80 10.938 -1.699 10.885 1.00 0.00 H new ATOM 0 HD13 ILE A 80 12.110 -2.421 9.756 1.00 0.00 H new ATOM 1022 N ASP A 81 7.145 -4.014 9.213 1.00 0.00 N ATOM 1023 CA ASP A 81 6.460 -5.091 9.933 1.00 0.00 C ATOM 1024 C ASP A 81 5.369 -4.507 10.813 1.00 0.00 C ATOM 1025 O ASP A 81 5.140 -4.951 11.938 1.00 0.00 O ATOM 1026 CB ASP A 81 7.434 -5.915 10.777 1.00 0.00 C ATOM 1027 CG ASP A 81 6.869 -7.276 11.139 1.00 0.00 C ATOM 1028 OD1 ASP A 81 6.010 -7.793 10.389 1.00 0.00 O ATOM 1029 OD2 ASP A 81 7.287 -7.846 12.167 1.00 0.00 O ATOM 0 H ASP A 81 7.201 -4.162 8.205 1.00 0.00 H new ATOM 0 HA ASP A 81 6.016 -5.760 9.196 1.00 0.00 H new ATOM 0 HB2 ASP A 81 8.367 -6.045 10.229 1.00 0.00 H new ATOM 0 HB3 ASP A 81 7.674 -5.369 11.689 1.00 0.00 H new ATOM 1034 N LYS A 82 4.702 -3.495 10.291 1.00 0.00 N ATOM 1035 CA LYS A 82 3.736 -2.753 11.068 1.00 0.00 C ATOM 1036 C LYS A 82 2.489 -2.455 10.262 1.00 0.00 C ATOM 1037 O LYS A 82 2.565 -1.994 9.116 1.00 0.00 O ATOM 1038 CB LYS A 82 4.360 -1.446 11.559 1.00 0.00 C ATOM 1039 CG LYS A 82 3.758 -0.917 12.850 1.00 0.00 C ATOM 1040 CD LYS A 82 4.626 0.174 13.452 1.00 0.00 C ATOM 1041 CE LYS A 82 5.091 -0.186 14.854 1.00 0.00 C ATOM 1042 NZ LYS A 82 6.437 -0.824 14.857 1.00 0.00 N ATOM 0 H LYS A 82 4.814 -3.170 9.331 1.00 0.00 H new ATOM 0 HA LYS A 82 3.447 -3.366 11.922 1.00 0.00 H new ATOM 0 HB2 LYS A 82 5.429 -1.599 11.705 1.00 0.00 H new ATOM 0 HB3 LYS A 82 4.250 -0.689 10.782 1.00 0.00 H new ATOM 0 HG2 LYS A 82 2.759 -0.526 12.655 1.00 0.00 H new ATOM 0 HG3 LYS A 82 3.647 -1.733 13.564 1.00 0.00 H new ATOM 0 HD2 LYS A 82 5.493 0.343 12.813 1.00 0.00 H new ATOM 0 HD3 LYS A 82 4.066 1.109 13.483 1.00 0.00 H new ATOM 0 HE2 LYS A 82 5.117 0.714 15.468 1.00 0.00 H new ATOM 0 HE3 LYS A 82 4.369 -0.863 15.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 6.850 -0.760 15.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 6.348 -1.824 14.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 7.055 -0.334 14.179 1.00 0.00 H new ATOM 1056 N PRO A 83 1.322 -2.762 10.834 1.00 0.00 N ATOM 1057 CA PRO A 83 0.063 -2.249 10.354 1.00 0.00 C ATOM 1058 C PRO A 83 -0.223 -0.911 11.019 1.00 0.00 C ATOM 1059 O PRO A 83 -0.662 -0.849 12.168 1.00 0.00 O ATOM 1060 CB PRO A 83 -0.958 -3.311 10.798 1.00 0.00 C ATOM 1061 CG PRO A 83 -0.198 -4.297 11.637 1.00 0.00 C ATOM 1062 CD PRO A 83 1.123 -3.658 11.969 1.00 0.00 C ATOM 0 HA PRO A 83 0.041 -2.080 9.277 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -1.768 -2.857 11.369 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -1.410 -3.801 9.936 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -0.750 -4.538 12.545 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -0.050 -5.232 11.096 1.00 0.00 H new ATOM 0 HD2 PRO A 83 1.088 -3.117 12.914 1.00 0.00 H new ATOM 0 HD3 PRO A 83 1.923 -4.394 12.052 1.00 0.00 H new ATOM 1070 N LEU A 84 0.055 0.155 10.294 1.00 0.00 N ATOM 1071 CA LEU A 84 -0.179 1.500 10.782 1.00 0.00 C ATOM 1072 C LEU A 84 -0.879 2.301 9.703 1.00 0.00 C ATOM 1073 O LEU A 84 -0.242 2.781 8.760 1.00 0.00 O ATOM 1074 CB LEU A 84 1.144 2.167 11.171 1.00 0.00 C ATOM 1075 CG LEU A 84 1.023 3.381 12.093 1.00 0.00 C ATOM 1076 CD1 LEU A 84 2.285 3.541 12.923 1.00 0.00 C ATOM 1077 CD2 LEU A 84 0.760 4.646 11.287 1.00 0.00 C ATOM 0 H LEU A 84 0.448 0.114 9.354 1.00 0.00 H new ATOM 0 HA LEU A 84 -0.809 1.459 11.671 1.00 0.00 H new ATOM 0 HB2 LEU A 84 1.776 1.424 11.658 1.00 0.00 H new ATOM 0 HB3 LEU A 84 1.658 2.474 10.260 1.00 0.00 H new ATOM 0 HG LEU A 84 0.179 3.218 12.763 1.00 0.00 H new ATOM 0 HD11 LEU A 84 2.184 4.409 13.574 1.00 0.00 H new ATOM 0 HD12 LEU A 84 2.437 2.648 13.529 1.00 0.00 H new ATOM 0 HD13 LEU A 84 3.140 3.681 12.262 1.00 0.00 H new ATOM 0 HD21 LEU A 84 0.677 5.497 11.963 1.00 0.00 H new ATOM 0 HD22 LEU A 84 1.583 4.813 10.592 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -0.169 4.535 10.728 1.00 0.00 H new ATOM 1089 N LYS A 85 -2.183 2.420 9.815 1.00 0.00 N ATOM 1090 CA LYS A 85 -2.965 3.067 8.785 1.00 0.00 C ATOM 1091 C LYS A 85 -3.641 4.323 9.296 1.00 0.00 C ATOM 1092 O LYS A 85 -4.419 4.289 10.248 1.00 0.00 O ATOM 1093 CB LYS A 85 -3.965 2.091 8.207 1.00 0.00 C ATOM 1094 CG LYS A 85 -3.294 1.145 7.240 1.00 0.00 C ATOM 1095 CD LYS A 85 -2.882 1.868 5.965 1.00 0.00 C ATOM 1096 CE LYS A 85 -1.402 2.229 5.959 1.00 0.00 C ATOM 1097 NZ LYS A 85 -0.556 1.175 6.577 1.00 0.00 N ATOM 0 H LYS A 85 -2.724 2.077 10.609 1.00 0.00 H new ATOM 0 HA LYS A 85 -2.289 3.382 7.990 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -4.433 1.524 9.012 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -4.759 2.636 7.697 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -2.416 0.701 7.710 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -3.973 0.328 6.996 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -3.104 1.237 5.104 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -3.476 2.776 5.856 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -1.076 2.396 4.932 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -1.258 3.167 6.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 0.400 1.214 6.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -0.502 1.331 7.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -0.974 0.241 6.390 1.00 0.00 H new ATOM 1111 N TYR A 86 -3.324 5.436 8.654 1.00 0.00 N ATOM 1112 CA TYR A 86 -3.742 6.737 9.143 1.00 0.00 C ATOM 1113 C TYR A 86 -4.153 7.670 8.016 1.00 0.00 C ATOM 1114 O TYR A 86 -3.515 7.698 6.962 1.00 0.00 O ATOM 1115 CB TYR A 86 -2.604 7.362 9.932 1.00 0.00 C ATOM 1116 CG TYR A 86 -3.032 8.496 10.834 1.00 0.00 C ATOM 1117 CD1 TYR A 86 -3.754 8.254 11.996 1.00 0.00 C ATOM 1118 CD2 TYR A 86 -2.708 9.810 10.524 1.00 0.00 C ATOM 1119 CE1 TYR A 86 -4.145 9.292 12.820 1.00 0.00 C ATOM 1120 CE2 TYR A 86 -3.094 10.851 11.343 1.00 0.00 C ATOM 1121 CZ TYR A 86 -3.811 10.587 12.490 1.00 0.00 C ATOM 1122 OH TYR A 86 -4.191 11.625 13.308 1.00 0.00 O ATOM 0 H TYR A 86 -2.778 5.463 7.793 1.00 0.00 H new ATOM 0 HA TYR A 86 -4.615 6.590 9.780 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -2.128 6.590 10.537 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -1.851 7.730 9.235 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -4.014 7.239 12.259 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -2.145 10.021 9.627 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -4.710 9.089 13.718 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -2.836 11.868 11.087 1.00 0.00 H new ATOM 0 HH TYR A 86 -3.874 12.472 12.930 1.00 0.00 H new ATOM 1132 N GLU A 87 -5.211 8.426 8.271 1.00 0.00 N ATOM 1133 CA GLU A 87 -5.677 9.498 7.399 1.00 0.00 C ATOM 1134 C GLU A 87 -6.915 10.111 8.041 1.00 0.00 C ATOM 1135 O GLU A 87 -7.512 9.503 8.932 1.00 0.00 O ATOM 1136 CB GLU A 87 -5.977 8.976 5.980 1.00 0.00 C ATOM 1137 CG GLU A 87 -6.716 9.955 5.070 1.00 0.00 C ATOM 1138 CD GLU A 87 -5.907 11.197 4.743 1.00 0.00 C ATOM 1139 OE1 GLU A 87 -5.619 11.988 5.666 1.00 0.00 O ATOM 1140 OE2 GLU A 87 -5.571 11.401 3.559 1.00 0.00 O ATOM 0 H GLU A 87 -5.783 8.310 9.108 1.00 0.00 H new ATOM 0 HA GLU A 87 -4.901 10.255 7.288 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -5.035 8.702 5.504 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -6.569 8.064 6.063 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -6.982 9.448 4.142 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.649 10.253 5.549 1.00 0.00 H new ATOM 1147 N ASP A 88 -7.279 11.310 7.623 1.00 0.00 N ATOM 1148 CA ASP A 88 -8.433 12.000 8.173 1.00 0.00 C ATOM 1149 C ASP A 88 -9.739 11.364 7.702 1.00 0.00 C ATOM 1150 O ASP A 88 -10.492 11.951 6.924 1.00 0.00 O ATOM 1151 CB ASP A 88 -8.402 13.476 7.783 1.00 0.00 C ATOM 1152 CG ASP A 88 -9.368 14.308 8.596 1.00 0.00 C ATOM 1153 OD1 ASP A 88 -9.957 13.779 9.565 1.00 0.00 O ATOM 1154 OD2 ASP A 88 -9.544 15.503 8.271 1.00 0.00 O ATOM 0 H ASP A 88 -6.787 11.831 6.897 1.00 0.00 H new ATOM 0 HA ASP A 88 -8.386 11.913 9.259 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -7.392 13.863 7.917 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -8.644 13.574 6.725 1.00 0.00 H new ATOM 1159 N TYR A 89 -10.000 10.155 8.176 1.00 0.00 N ATOM 1160 CA TYR A 89 -11.265 9.482 7.912 1.00 0.00 C ATOM 1161 C TYR A 89 -12.299 9.931 8.936 1.00 0.00 C ATOM 1162 O TYR A 89 -13.444 9.478 8.931 1.00 0.00 O ATOM 1163 CB TYR A 89 -11.088 7.960 7.961 1.00 0.00 C ATOM 1164 CG TYR A 89 -11.018 7.298 6.597 1.00 0.00 C ATOM 1165 CD1 TYR A 89 -10.942 8.055 5.434 1.00 0.00 C ATOM 1166 CD2 TYR A 89 -11.027 5.912 6.475 1.00 0.00 C ATOM 1167 CE1 TYR A 89 -10.878 7.453 4.191 1.00 0.00 C ATOM 1168 CE2 TYR A 89 -10.964 5.302 5.234 1.00 0.00 C ATOM 1169 CZ TYR A 89 -10.890 6.076 4.096 1.00 0.00 C ATOM 1170 OH TYR A 89 -10.828 5.473 2.857 1.00 0.00 O ATOM 0 H TYR A 89 -9.350 9.617 8.748 1.00 0.00 H new ATOM 0 HA TYR A 89 -11.609 9.748 6.913 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -10.176 7.729 8.512 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -11.917 7.527 8.521 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -10.933 9.133 5.502 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -11.084 5.301 7.364 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -10.819 8.058 3.298 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -10.973 4.225 5.158 1.00 0.00 H new ATOM 0 HH TYR A 89 -10.845 4.499 2.966 1.00 0.00 H new ATOM 1180 N TYR A 90 -11.868 10.827 9.820 1.00 0.00 N ATOM 1181 CA TYR A 90 -12.732 11.386 10.851 1.00 0.00 C ATOM 1182 C TYR A 90 -13.462 12.612 10.318 1.00 0.00 C ATOM 1183 O TYR A 90 -14.677 12.737 10.456 1.00 0.00 O ATOM 1184 CB TYR A 90 -11.907 11.781 12.080 1.00 0.00 C ATOM 1185 CG TYR A 90 -11.568 10.636 13.010 1.00 0.00 C ATOM 1186 CD1 TYR A 90 -11.287 9.364 12.523 1.00 0.00 C ATOM 1187 CD2 TYR A 90 -11.519 10.837 14.381 1.00 0.00 C ATOM 1188 CE1 TYR A 90 -10.968 8.329 13.380 1.00 0.00 C ATOM 1189 CE2 TYR A 90 -11.198 9.808 15.243 1.00 0.00 C ATOM 1190 CZ TYR A 90 -10.924 8.557 14.740 1.00 0.00 C ATOM 1191 OH TYR A 90 -10.597 7.532 15.599 1.00 0.00 O ATOM 0 H TYR A 90 -10.913 11.184 9.840 1.00 0.00 H new ATOM 0 HA TYR A 90 -13.461 10.627 11.136 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -10.980 12.245 11.744 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -12.456 12.537 12.642 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -11.319 9.183 11.459 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -11.736 11.816 14.782 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -10.754 7.346 12.987 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -11.162 9.984 16.308 1.00 0.00 H new ATOM 0 HH TYR A 90 -10.611 7.862 16.522 1.00 0.00 H new ATOM 1201 N THR A 91 -12.708 13.523 9.719 1.00 0.00 N ATOM 1202 CA THR A 91 -13.280 14.737 9.165 1.00 0.00 C ATOM 1203 C THR A 91 -13.435 14.623 7.652 1.00 0.00 C ATOM 1204 O THR A 91 -14.520 14.315 7.156 1.00 0.00 O ATOM 1205 CB THR A 91 -12.415 15.966 9.504 1.00 0.00 C ATOM 1206 OG1 THR A 91 -11.505 15.644 10.565 1.00 0.00 O ATOM 1207 CG2 THR A 91 -13.282 17.144 9.915 1.00 0.00 C ATOM 0 H THR A 91 -11.698 13.442 9.605 1.00 0.00 H new ATOM 0 HA THR A 91 -14.264 14.867 9.615 1.00 0.00 H new ATOM 0 HB THR A 91 -11.853 16.245 8.612 1.00 0.00 H new ATOM 0 HG1 THR A 91 -10.877 14.956 10.260 1.00 0.00 H new ATOM 0 HG21 THR A 91 -12.647 17.999 10.149 1.00 0.00 H new ATOM 0 HG22 THR A 91 -13.954 17.404 9.097 1.00 0.00 H new ATOM 0 HG23 THR A 91 -13.868 16.875 10.794 1.00 0.00 H new ATOM 1215 N SER A 92 -12.352 14.859 6.922 1.00 0.00 N ATOM 1216 CA SER A 92 -12.380 14.791 5.466 1.00 0.00 C ATOM 1217 C SER A 92 -10.989 14.503 4.914 1.00 0.00 C ATOM 1218 O SER A 92 -10.064 15.299 5.078 1.00 0.00 O ATOM 1219 CB SER A 92 -12.923 16.098 4.876 1.00 0.00 C ATOM 1220 OG SER A 92 -14.295 16.261 5.193 1.00 0.00 O ATOM 0 H SER A 92 -11.442 15.100 7.315 1.00 0.00 H new ATOM 0 HA SER A 92 -13.043 13.976 5.177 1.00 0.00 H new ATOM 0 HB2 SER A 92 -12.353 16.942 5.264 1.00 0.00 H new ATOM 0 HB3 SER A 92 -12.793 16.096 3.794 1.00 0.00 H new ATOM 0 HG SER A 92 -14.582 15.535 5.786 1.00 0.00 H new ATOM 1226 N GLY A 93 -10.845 13.358 4.271 1.00 0.00 N ATOM 1227 CA GLY A 93 -9.570 12.978 3.704 1.00 0.00 C ATOM 1228 C GLY A 93 -9.645 11.642 3.001 1.00 0.00 C ATOM 1229 O GLY A 93 -10.208 10.685 3.539 1.00 0.00 O ATOM 0 H GLY A 93 -11.594 12.680 4.130 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -9.243 13.742 2.999 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -8.820 12.932 4.494 1.00 0.00 H new ATOM 1233 N LEU A 94 -9.101 11.580 1.795 1.00 0.00 N ATOM 1234 CA LEU A 94 -9.118 10.355 1.005 1.00 0.00 C ATOM 1235 C LEU A 94 -8.013 10.374 -0.046 1.00 0.00 C ATOM 1236 O LEU A 94 -7.975 9.527 -0.941 1.00 0.00 O ATOM 1237 CB LEU A 94 -10.480 10.181 0.326 1.00 0.00 C ATOM 1238 CG LEU A 94 -10.938 8.733 0.143 1.00 0.00 C ATOM 1239 CD1 LEU A 94 -12.198 8.466 0.952 1.00 0.00 C ATOM 1240 CD2 LEU A 94 -11.171 8.431 -1.330 1.00 0.00 C ATOM 0 H LEU A 94 -8.640 12.367 1.339 1.00 0.00 H new ATOM 0 HA LEU A 94 -8.944 9.514 1.677 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -11.230 10.711 0.913 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -10.444 10.660 -0.653 1.00 0.00 H new ATOM 0 HG LEU A 94 -10.151 8.073 0.508 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -12.509 7.431 0.810 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -11.996 8.642 2.009 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -12.993 9.133 0.618 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -11.496 7.397 -1.442 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -11.940 9.098 -1.721 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -10.244 8.582 -1.883 1.00 0.00 H new ATOM 1252 N SER A 95 -7.107 11.334 0.062 1.00 0.00 N ATOM 1253 CA SER A 95 -6.042 11.462 -0.913 1.00 0.00 C ATOM 1254 C SER A 95 -4.763 10.814 -0.402 1.00 0.00 C ATOM 1255 O SER A 95 -4.159 11.289 0.561 1.00 0.00 O ATOM 1256 CB SER A 95 -5.805 12.941 -1.208 1.00 0.00 C ATOM 1257 OG SER A 95 -6.773 13.745 -0.553 1.00 0.00 O ATOM 0 H SER A 95 -7.090 12.029 0.809 1.00 0.00 H new ATOM 0 HA SER A 95 -6.335 10.951 -1.830 1.00 0.00 H new ATOM 0 HB2 SER A 95 -4.806 13.227 -0.880 1.00 0.00 H new ATOM 0 HB3 SER A 95 -5.849 13.114 -2.283 1.00 0.00 H new ATOM 0 HG SER A 95 -6.603 14.689 -0.753 1.00 0.00 H new ATOM 1263 N TRP A 96 -4.335 9.754 -1.083 1.00 0.00 N ATOM 1264 CA TRP A 96 -3.135 9.013 -0.700 1.00 0.00 C ATOM 1265 C TRP A 96 -2.843 7.906 -1.712 1.00 0.00 C ATOM 1266 O TRP A 96 -3.629 7.677 -2.639 1.00 0.00 O ATOM 1267 CB TRP A 96 -3.293 8.427 0.715 1.00 0.00 C ATOM 1268 CG TRP A 96 -4.554 7.639 0.883 1.00 0.00 C ATOM 1269 CD1 TRP A 96 -5.701 8.021 1.521 1.00 0.00 C ATOM 1270 CD2 TRP A 96 -4.791 6.328 0.384 1.00 0.00 C ATOM 1271 NE1 TRP A 96 -6.640 7.021 1.431 1.00 0.00 N ATOM 1272 CE2 TRP A 96 -6.100 5.969 0.738 1.00 0.00 C ATOM 1273 CE3 TRP A 96 -4.011 5.431 -0.334 1.00 0.00 C ATOM 1274 CZ2 TRP A 96 -6.648 4.739 0.394 1.00 0.00 C ATOM 1275 CZ3 TRP A 96 -4.550 4.208 -0.681 1.00 0.00 C ATOM 1276 CH2 TRP A 96 -5.861 3.870 -0.316 1.00 0.00 C ATOM 0 H TRP A 96 -4.806 9.386 -1.910 1.00 0.00 H new ATOM 0 HA TRP A 96 -2.291 9.702 -0.694 1.00 0.00 H new ATOM 0 HB2 TRP A 96 -2.439 7.787 0.935 1.00 0.00 H new ATOM 0 HB3 TRP A 96 -3.278 9.239 1.442 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -5.848 8.967 2.021 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -7.584 7.056 1.817 1.00 0.00 H new ATOM 0 HE3 TRP A 96 -3.000 5.686 -0.616 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 -7.657 4.477 0.676 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 -3.954 3.503 -1.241 1.00 0.00 H new ATOM 0 HH2 TRP A 96 -6.258 2.907 -0.600 1.00 0.00 H new ATOM 1287 N ILE A 97 -1.695 7.262 -1.547 1.00 0.00 N ATOM 1288 CA ILE A 97 -1.281 6.145 -2.385 1.00 0.00 C ATOM 1289 C ILE A 97 -0.476 5.146 -1.547 1.00 0.00 C ATOM 1290 O ILE A 97 0.105 5.526 -0.525 1.00 0.00 O ATOM 1291 CB ILE A 97 -0.444 6.646 -3.593 1.00 0.00 C ATOM 1292 CG1 ILE A 97 -0.831 5.893 -4.855 1.00 0.00 C ATOM 1293 CG2 ILE A 97 1.055 6.525 -3.341 1.00 0.00 C ATOM 1294 CD1 ILE A 97 -2.018 6.493 -5.576 1.00 0.00 C ATOM 0 H ILE A 97 -1.020 7.502 -0.822 1.00 0.00 H new ATOM 0 HA ILE A 97 -2.168 5.647 -2.776 1.00 0.00 H new ATOM 0 HB ILE A 97 -0.667 7.705 -3.726 1.00 0.00 H new ATOM 0 HG12 ILE A 97 0.023 5.872 -5.532 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -1.058 4.859 -4.596 1.00 0.00 H new ATOM 0 HG21 ILE A 97 1.601 6.887 -4.212 1.00 0.00 H new ATOM 0 HG22 ILE A 97 1.327 7.121 -2.469 1.00 0.00 H new ATOM 0 HG23 ILE A 97 1.311 5.481 -3.161 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -2.238 5.905 -6.467 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -2.885 6.489 -4.915 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -1.787 7.518 -5.866 1.00 0.00 H new ATOM 1306 N TRP A 98 -0.460 3.880 -1.957 1.00 0.00 N ATOM 1307 CA TRP A 98 0.352 2.866 -1.283 1.00 0.00 C ATOM 1308 C TRP A 98 1.794 2.957 -1.789 1.00 0.00 C ATOM 1309 O TRP A 98 2.146 2.313 -2.776 1.00 0.00 O ATOM 1310 CB TRP A 98 -0.169 1.449 -1.576 1.00 0.00 C ATOM 1311 CG TRP A 98 -1.364 0.973 -0.782 1.00 0.00 C ATOM 1312 CD1 TRP A 98 -2.018 -0.212 -0.979 1.00 0.00 C ATOM 1313 CD2 TRP A 98 -2.047 1.614 0.319 1.00 0.00 C ATOM 1314 NE1 TRP A 98 -3.058 -0.339 -0.106 1.00 0.00 N ATOM 1315 CE2 TRP A 98 -3.101 0.754 0.700 1.00 0.00 C ATOM 1316 CE3 TRP A 98 -1.892 2.814 1.018 1.00 0.00 C ATOM 1317 CZ2 TRP A 98 -3.982 1.053 1.731 1.00 0.00 C ATOM 1318 CZ3 TRP A 98 -2.774 3.096 2.049 1.00 0.00 C ATOM 1319 CH2 TRP A 98 -3.805 2.215 2.390 1.00 0.00 C ATOM 0 H TRP A 98 -0.998 3.531 -2.750 1.00 0.00 H new ATOM 0 HA TRP A 98 0.299 3.051 -0.210 1.00 0.00 H new ATOM 0 HB2 TRP A 98 -0.424 1.395 -2.634 1.00 0.00 H new ATOM 0 HB3 TRP A 98 0.648 0.748 -1.409 1.00 0.00 H new ATOM 0 HD1 TRP A 98 -1.748 -0.946 -1.724 1.00 0.00 H new ATOM 0 HE1 TRP A 98 -3.702 -1.129 -0.065 1.00 0.00 H new ATOM 0 HE3 TRP A 98 -1.103 3.505 0.761 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 -4.782 0.377 1.996 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 -2.663 4.017 2.602 1.00 0.00 H new ATOM 0 HH2 TRP A 98 -4.474 2.471 3.199 1.00 0.00 H new ATOM 1330 N LYS A 99 2.623 3.766 -1.147 1.00 0.00 N ATOM 1331 CA LYS A 99 4.000 3.927 -1.600 1.00 0.00 C ATOM 1332 C LYS A 99 4.970 3.164 -0.707 1.00 0.00 C ATOM 1333 O LYS A 99 4.958 3.308 0.515 1.00 0.00 O ATOM 1334 CB LYS A 99 4.393 5.406 -1.657 1.00 0.00 C ATOM 1335 CG LYS A 99 5.109 5.802 -2.943 1.00 0.00 C ATOM 1336 CD LYS A 99 6.623 5.810 -2.777 1.00 0.00 C ATOM 1337 CE LYS A 99 7.143 7.199 -2.435 1.00 0.00 C ATOM 1338 NZ LYS A 99 8.179 7.668 -3.396 1.00 0.00 N ATOM 0 H LYS A 99 2.374 4.314 -0.324 1.00 0.00 H new ATOM 0 HA LYS A 99 4.059 3.512 -2.606 1.00 0.00 H new ATOM 0 HB2 LYS A 99 3.496 6.015 -1.549 1.00 0.00 H new ATOM 0 HB3 LYS A 99 5.037 5.634 -0.808 1.00 0.00 H new ATOM 0 HG2 LYS A 99 4.836 5.108 -3.738 1.00 0.00 H new ATOM 0 HG3 LYS A 99 4.774 6.791 -3.254 1.00 0.00 H new ATOM 0 HD2 LYS A 99 6.907 5.111 -1.990 1.00 0.00 H new ATOM 0 HD3 LYS A 99 7.092 5.462 -3.697 1.00 0.00 H new ATOM 0 HE2 LYS A 99 6.312 7.904 -2.428 1.00 0.00 H new ATOM 0 HE3 LYS A 99 7.562 7.190 -1.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 8.054 8.685 -3.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 9.124 7.499 -2.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 8.083 7.148 -4.291 1.00 0.00 H new ATOM 1352 N ILE A 100 5.803 2.348 -1.335 1.00 0.00 N ATOM 1353 CA ILE A 100 6.848 1.615 -0.636 1.00 0.00 C ATOM 1354 C ILE A 100 8.212 2.077 -1.109 1.00 0.00 C ATOM 1355 O ILE A 100 8.623 1.789 -2.234 1.00 0.00 O ATOM 1356 CB ILE A 100 6.736 0.087 -0.838 1.00 0.00 C ATOM 1357 CG1 ILE A 100 5.824 -0.252 -2.022 1.00 0.00 C ATOM 1358 CG2 ILE A 100 6.227 -0.566 0.434 1.00 0.00 C ATOM 1359 CD1 ILE A 100 6.111 -1.608 -2.633 1.00 0.00 C ATOM 0 H ILE A 100 5.774 2.176 -2.340 1.00 0.00 H new ATOM 0 HA ILE A 100 6.722 1.823 0.427 1.00 0.00 H new ATOM 0 HB ILE A 100 7.728 -0.303 -1.065 1.00 0.00 H new ATOM 0 HG12 ILE A 100 4.786 -0.223 -1.691 1.00 0.00 H new ATOM 0 HG13 ILE A 100 5.936 0.515 -2.789 1.00 0.00 H new ATOM 0 HG21 ILE A 100 6.150 -1.643 0.285 1.00 0.00 H new ATOM 0 HG22 ILE A 100 6.920 -0.361 1.250 1.00 0.00 H new ATOM 0 HG23 ILE A 100 5.245 -0.163 0.682 1.00 0.00 H new ATOM 0 HD11 ILE A 100 5.430 -1.784 -3.465 1.00 0.00 H new ATOM 0 HD12 ILE A 100 7.139 -1.634 -2.994 1.00 0.00 H new ATOM 0 HD13 ILE A 100 5.971 -2.383 -1.880 1.00 0.00 H new ATOM 1371 N LYS A 101 8.894 2.824 -0.259 1.00 0.00 N ATOM 1372 CA LYS A 101 10.244 3.266 -0.554 1.00 0.00 C ATOM 1373 C LYS A 101 11.211 2.585 0.397 1.00 0.00 C ATOM 1374 O LYS A 101 10.918 2.426 1.585 1.00 0.00 O ATOM 1375 CB LYS A 101 10.358 4.798 -0.462 1.00 0.00 C ATOM 1376 CG LYS A 101 10.349 5.354 0.958 1.00 0.00 C ATOM 1377 CD LYS A 101 11.726 5.852 1.377 1.00 0.00 C ATOM 1378 CE LYS A 101 11.920 7.321 1.033 1.00 0.00 C ATOM 1379 NZ LYS A 101 13.098 7.531 0.152 1.00 0.00 N ATOM 0 H LYS A 101 8.534 3.137 0.642 1.00 0.00 H new ATOM 0 HA LYS A 101 10.496 2.988 -1.577 1.00 0.00 H new ATOM 0 HB2 LYS A 101 11.279 5.110 -0.954 1.00 0.00 H new ATOM 0 HB3 LYS A 101 9.533 5.244 -1.017 1.00 0.00 H new ATOM 0 HG2 LYS A 101 9.631 6.171 1.024 1.00 0.00 H new ATOM 0 HG3 LYS A 101 10.016 4.580 1.650 1.00 0.00 H new ATOM 0 HD2 LYS A 101 11.854 5.709 2.450 1.00 0.00 H new ATOM 0 HD3 LYS A 101 12.494 5.258 0.883 1.00 0.00 H new ATOM 0 HE2 LYS A 101 11.025 7.700 0.540 1.00 0.00 H new ATOM 0 HE3 LYS A 101 12.045 7.896 1.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 13.444 8.506 0.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 13.851 6.864 0.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 12.824 7.371 -0.838 1.00 0.00 H new ATOM 1393 N ASN A 102 12.339 2.152 -0.121 1.00 0.00 N ATOM 1394 CA ASN A 102 13.316 1.471 0.704 1.00 0.00 C ATOM 1395 C ASN A 102 14.647 2.213 0.689 1.00 0.00 C ATOM 1396 O ASN A 102 15.031 2.818 -0.316 1.00 0.00 O ATOM 1397 CB ASN A 102 13.464 0.006 0.260 1.00 0.00 C ATOM 1398 CG ASN A 102 14.419 -0.191 -0.906 1.00 0.00 C ATOM 1399 OD1 ASN A 102 14.375 0.538 -1.889 1.00 0.00 O ATOM 1400 ND2 ASN A 102 15.281 -1.194 -0.810 1.00 0.00 N ATOM 0 H ASN A 102 12.603 2.257 -1.101 1.00 0.00 H new ATOM 0 HA ASN A 102 12.965 1.466 1.736 1.00 0.00 H new ATOM 0 HB2 ASN A 102 13.812 -0.586 1.106 1.00 0.00 H new ATOM 0 HB3 ASN A 102 12.483 -0.380 -0.017 1.00 0.00 H new ATOM 0 HD21 ASN A 102 15.936 -1.378 -1.570 1.00 0.00 H new ATOM 0 HD22 ASN A 102 15.289 -1.781 0.024 1.00 0.00 H new ATOM 1407 N ASN A 103 15.322 2.202 1.827 1.00 0.00 N ATOM 1408 CA ASN A 103 16.593 2.896 1.973 1.00 0.00 C ATOM 1409 C ASN A 103 17.745 1.955 1.658 1.00 0.00 C ATOM 1410 O ASN A 103 18.887 2.385 1.495 1.00 0.00 O ATOM 1411 CB ASN A 103 16.754 3.443 3.397 1.00 0.00 C ATOM 1412 CG ASN A 103 15.587 4.304 3.843 1.00 0.00 C ATOM 1413 OD1 ASN A 103 15.267 5.318 3.218 1.00 0.00 O ATOM 1414 ND2 ASN A 103 14.957 3.916 4.941 1.00 0.00 N ATOM 0 H ASN A 103 15.009 1.717 2.668 1.00 0.00 H new ATOM 0 HA ASN A 103 16.605 3.731 1.272 1.00 0.00 H new ATOM 0 HB2 ASN A 103 16.867 2.608 4.089 1.00 0.00 H new ATOM 0 HB3 ASN A 103 17.671 4.029 3.452 1.00 0.00 H new ATOM 0 HD21 ASN A 103 14.174 4.463 5.300 1.00 0.00 H new ATOM 0 HD22 ASN A 103 15.254 3.070 5.428 1.00 0.00 H new ATOM 1421 N SER A 104 17.441 0.670 1.583 1.00 0.00 N ATOM 1422 CA SER A 104 18.444 -0.332 1.283 1.00 0.00 C ATOM 1423 C SER A 104 18.820 -0.286 -0.194 1.00 0.00 C ATOM 1424 O SER A 104 17.989 0.026 -1.047 1.00 0.00 O ATOM 1425 CB SER A 104 17.913 -1.718 1.651 1.00 0.00 C ATOM 1426 OG SER A 104 16.550 -1.660 2.051 1.00 0.00 O ATOM 0 H SER A 104 16.503 0.297 1.727 1.00 0.00 H new ATOM 0 HA SER A 104 19.338 -0.124 1.871 1.00 0.00 H new ATOM 0 HB2 SER A 104 18.015 -2.387 0.797 1.00 0.00 H new ATOM 0 HB3 SER A 104 18.514 -2.137 2.458 1.00 0.00 H new ATOM 0 HG SER A 104 16.237 -2.560 2.279 1.00 0.00 H new ATOM 1432 N SER A 105 20.076 -0.578 -0.489 1.00 0.00 N ATOM 1433 CA SER A 105 20.531 -0.671 -1.868 1.00 0.00 C ATOM 1434 C SER A 105 20.476 -2.124 -2.325 1.00 0.00 C ATOM 1435 O SER A 105 20.673 -2.441 -3.500 1.00 0.00 O ATOM 1436 CB SER A 105 21.953 -0.123 -1.988 1.00 0.00 C ATOM 1437 OG SER A 105 22.575 -0.055 -0.715 1.00 0.00 O ATOM 0 H SER A 105 20.800 -0.755 0.208 1.00 0.00 H new ATOM 0 HA SER A 105 19.879 -0.075 -2.507 1.00 0.00 H new ATOM 0 HB2 SER A 105 22.539 -0.760 -2.650 1.00 0.00 H new ATOM 0 HB3 SER A 105 21.929 0.869 -2.439 1.00 0.00 H new ATOM 0 HG SER A 105 23.484 0.296 -0.814 1.00 0.00 H new ATOM 1443 N GLU A 106 20.201 -3.000 -1.373 1.00 0.00 N ATOM 1444 CA GLU A 106 20.080 -4.424 -1.630 1.00 0.00 C ATOM 1445 C GLU A 106 18.670 -4.769 -2.098 1.00 0.00 C ATOM 1446 O GLU A 106 17.690 -4.200 -1.613 1.00 0.00 O ATOM 1447 CB GLU A 106 20.411 -5.212 -0.359 1.00 0.00 C ATOM 1448 CG GLU A 106 21.714 -4.785 0.304 1.00 0.00 C ATOM 1449 CD GLU A 106 21.510 -3.799 1.441 1.00 0.00 C ATOM 1450 OE1 GLU A 106 20.891 -2.738 1.215 1.00 0.00 O ATOM 1451 OE2 GLU A 106 21.994 -4.072 2.558 1.00 0.00 O ATOM 0 H GLU A 106 20.055 -2.742 -0.397 1.00 0.00 H new ATOM 0 HA GLU A 106 20.783 -4.694 -2.418 1.00 0.00 H new ATOM 0 HB2 GLU A 106 19.595 -5.094 0.354 1.00 0.00 H new ATOM 0 HB3 GLU A 106 20.469 -6.272 -0.604 1.00 0.00 H new ATOM 0 HG2 GLU A 106 22.227 -5.668 0.685 1.00 0.00 H new ATOM 0 HG3 GLU A 106 22.366 -4.336 -0.446 1.00 0.00 H new ATOM 1458 N THR A 107 18.575 -5.691 -3.046 1.00 0.00 N ATOM 1459 CA THR A 107 17.288 -6.186 -3.505 1.00 0.00 C ATOM 1460 C THR A 107 16.539 -6.860 -2.358 1.00 0.00 C ATOM 1461 O THR A 107 16.977 -7.887 -1.836 1.00 0.00 O ATOM 1462 CB THR A 107 17.469 -7.185 -4.662 1.00 0.00 C ATOM 1463 OG1 THR A 107 18.555 -6.760 -5.500 1.00 0.00 O ATOM 1464 CG2 THR A 107 16.195 -7.304 -5.487 1.00 0.00 C ATOM 0 H THR A 107 19.378 -6.112 -3.513 1.00 0.00 H new ATOM 0 HA THR A 107 16.707 -5.336 -3.863 1.00 0.00 H new ATOM 0 HB THR A 107 17.693 -8.165 -4.240 1.00 0.00 H new ATOM 0 HG1 THR A 107 18.243 -6.058 -6.109 1.00 0.00 H new ATOM 0 HG21 THR A 107 16.351 -8.016 -6.297 1.00 0.00 H new ATOM 0 HG22 THR A 107 15.381 -7.651 -4.851 1.00 0.00 H new ATOM 0 HG23 THR A 107 15.939 -6.330 -5.904 1.00 0.00 H new ATOM 1472 N SER A 108 15.423 -6.271 -1.962 1.00 0.00 N ATOM 1473 CA SER A 108 14.669 -6.763 -0.820 1.00 0.00 C ATOM 1474 C SER A 108 13.310 -7.310 -1.247 1.00 0.00 C ATOM 1475 O SER A 108 12.582 -6.672 -2.005 1.00 0.00 O ATOM 1476 CB SER A 108 14.480 -5.643 0.207 1.00 0.00 C ATOM 1477 OG SER A 108 15.597 -4.767 0.233 1.00 0.00 O ATOM 0 H SER A 108 15.019 -5.451 -2.414 1.00 0.00 H new ATOM 0 HA SER A 108 15.236 -7.577 -0.369 1.00 0.00 H new ATOM 0 HB2 SER A 108 13.579 -5.078 -0.031 1.00 0.00 H new ATOM 0 HB3 SER A 108 14.333 -6.076 1.196 1.00 0.00 H new ATOM 0 HG SER A 108 15.445 -4.062 0.897 1.00 0.00 H new ATOM 1483 N ASN A 109 12.982 -8.496 -0.766 1.00 0.00 N ATOM 1484 CA ASN A 109 11.670 -9.081 -0.994 1.00 0.00 C ATOM 1485 C ASN A 109 10.693 -8.554 0.051 1.00 0.00 C ATOM 1486 O ASN A 109 10.880 -8.770 1.249 1.00 0.00 O ATOM 1487 CB ASN A 109 11.766 -10.607 -0.922 1.00 0.00 C ATOM 1488 CG ASN A 109 10.441 -11.312 -1.136 1.00 0.00 C ATOM 1489 OD1 ASN A 109 9.509 -10.769 -1.727 1.00 0.00 O ATOM 1490 ND2 ASN A 109 10.359 -12.545 -0.662 1.00 0.00 N ATOM 0 H ASN A 109 13.610 -9.077 -0.211 1.00 0.00 H new ATOM 0 HA ASN A 109 11.309 -8.804 -1.984 1.00 0.00 H new ATOM 0 HB2 ASN A 109 12.477 -10.953 -1.672 1.00 0.00 H new ATOM 0 HB3 ASN A 109 12.166 -10.892 0.051 1.00 0.00 H new ATOM 0 HD21 ASN A 109 9.499 -13.081 -0.781 1.00 0.00 H new ATOM 0 HD22 ASN A 109 11.155 -12.959 -0.178 1.00 0.00 H new ATOM 1497 N TYR A 110 9.672 -7.842 -0.397 1.00 0.00 N ATOM 1498 CA TYR A 110 8.742 -7.192 0.513 1.00 0.00 C ATOM 1499 C TYR A 110 7.423 -7.947 0.595 1.00 0.00 C ATOM 1500 O TYR A 110 6.996 -8.594 -0.367 1.00 0.00 O ATOM 1501 CB TYR A 110 8.487 -5.734 0.089 1.00 0.00 C ATOM 1502 CG TYR A 110 7.901 -5.564 -1.302 1.00 0.00 C ATOM 1503 CD1 TYR A 110 6.554 -5.808 -1.551 1.00 0.00 C ATOM 1504 CD2 TYR A 110 8.696 -5.151 -2.363 1.00 0.00 C ATOM 1505 CE1 TYR A 110 6.021 -5.651 -2.815 1.00 0.00 C ATOM 1506 CE2 TYR A 110 8.169 -4.989 -3.629 1.00 0.00 C ATOM 1507 CZ TYR A 110 6.833 -5.240 -3.849 1.00 0.00 C ATOM 1508 OH TYR A 110 6.306 -5.081 -5.110 1.00 0.00 O ATOM 0 H TYR A 110 9.466 -7.699 -1.386 1.00 0.00 H new ATOM 0 HA TYR A 110 9.201 -7.197 1.502 1.00 0.00 H new ATOM 0 HB2 TYR A 110 7.811 -5.274 0.810 1.00 0.00 H new ATOM 0 HB3 TYR A 110 9.428 -5.187 0.140 1.00 0.00 H new ATOM 0 HD1 TYR A 110 5.914 -6.126 -0.741 1.00 0.00 H new ATOM 0 HD2 TYR A 110 9.744 -4.953 -2.195 1.00 0.00 H new ATOM 0 HE1 TYR A 110 4.974 -5.849 -2.992 1.00 0.00 H new ATOM 0 HE2 TYR A 110 8.802 -4.667 -4.443 1.00 0.00 H new ATOM 0 HH TYR A 110 7.010 -4.786 -5.724 1.00 0.00 H new ATOM 1518 N SER A 111 6.793 -7.866 1.751 1.00 0.00 N ATOM 1519 CA SER A 111 5.447 -8.368 1.924 1.00 0.00 C ATOM 1520 C SER A 111 4.484 -7.189 1.919 1.00 0.00 C ATOM 1521 O SER A 111 4.288 -6.526 2.940 1.00 0.00 O ATOM 1522 CB SER A 111 5.340 -9.160 3.224 1.00 0.00 C ATOM 1523 OG SER A 111 6.627 -9.498 3.715 1.00 0.00 O ATOM 0 H SER A 111 7.198 -7.453 2.591 1.00 0.00 H new ATOM 0 HA SER A 111 5.192 -9.043 1.107 1.00 0.00 H new ATOM 0 HB2 SER A 111 4.804 -8.573 3.970 1.00 0.00 H new ATOM 0 HB3 SER A 111 4.760 -10.067 3.056 1.00 0.00 H new ATOM 0 HG SER A 111 6.536 -10.071 4.505 1.00 0.00 H new ATOM 1529 N LEU A 112 3.916 -6.928 0.751 1.00 0.00 N ATOM 1530 CA LEU A 112 3.109 -5.737 0.521 1.00 0.00 C ATOM 1531 C LEU A 112 1.745 -5.818 1.193 1.00 0.00 C ATOM 1532 O LEU A 112 1.253 -6.897 1.539 1.00 0.00 O ATOM 1533 CB LEU A 112 2.955 -5.443 -0.971 1.00 0.00 C ATOM 1534 CG LEU A 112 2.702 -3.971 -1.310 1.00 0.00 C ATOM 1535 CD1 LEU A 112 3.631 -3.066 -0.513 1.00 0.00 C ATOM 1536 CD2 LEU A 112 2.869 -3.724 -2.798 1.00 0.00 C ATOM 0 H LEU A 112 4.001 -7.535 -0.064 1.00 0.00 H new ATOM 0 HA LEU A 112 3.649 -4.909 0.981 1.00 0.00 H new ATOM 0 HB2 LEU A 112 3.857 -5.771 -1.487 1.00 0.00 H new ATOM 0 HB3 LEU A 112 2.130 -6.039 -1.362 1.00 0.00 H new ATOM 0 HG LEU A 112 1.674 -3.734 -1.036 1.00 0.00 H new ATOM 0 HD11 LEU A 112 3.434 -2.025 -0.770 1.00 0.00 H new ATOM 0 HD12 LEU A 112 3.459 -3.216 0.553 1.00 0.00 H new ATOM 0 HD13 LEU A 112 4.667 -3.308 -0.751 1.00 0.00 H new ATOM 0 HD21 LEU A 112 2.684 -2.672 -3.015 1.00 0.00 H new ATOM 0 HD22 LEU A 112 3.884 -3.984 -3.098 1.00 0.00 H new ATOM 0 HD23 LEU A 112 2.159 -4.339 -3.351 1.00 0.00 H new ATOM 1548 N ASP A 113 1.151 -4.654 1.332 1.00 0.00 N ATOM 1549 CA ASP A 113 -0.022 -4.432 2.148 1.00 0.00 C ATOM 1550 C ASP A 113 -1.312 -4.877 1.497 1.00 0.00 C ATOM 1551 O ASP A 113 -1.381 -5.175 0.308 1.00 0.00 O ATOM 1552 CB ASP A 113 -0.163 -2.949 2.450 1.00 0.00 C ATOM 1553 CG ASP A 113 1.078 -2.144 2.135 1.00 0.00 C ATOM 1554 OD1 ASP A 113 1.262 -1.768 0.963 1.00 0.00 O ATOM 1555 OD2 ASP A 113 1.862 -1.882 3.067 1.00 0.00 O ATOM 0 H ASP A 113 1.481 -3.809 0.866 1.00 0.00 H new ATOM 0 HA ASP A 113 0.130 -5.028 3.048 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -1.000 -2.549 1.878 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -0.409 -2.824 3.505 1.00 0.00 H new ATOM 1560 N ALA A 114 -2.332 -4.921 2.333 1.00 0.00 N ATOM 1561 CA ALA A 114 -3.649 -5.352 1.959 1.00 0.00 C ATOM 1562 C ALA A 114 -4.374 -4.418 1.023 1.00 0.00 C ATOM 1563 O ALA A 114 -4.885 -3.390 1.438 1.00 0.00 O ATOM 1564 CB ALA A 114 -4.456 -5.403 3.227 1.00 0.00 C ATOM 0 H ALA A 114 -2.257 -4.650 3.313 1.00 0.00 H new ATOM 0 HA ALA A 114 -3.542 -6.304 1.440 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -5.472 -5.727 2.999 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -3.998 -6.107 3.922 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -4.484 -4.412 3.680 1.00 0.00 H new ATOM 1570 N THR A 115 -4.423 -4.806 -0.236 1.00 0.00 N ATOM 1571 CA THR A 115 -5.419 -4.322 -1.168 1.00 0.00 C ATOM 1572 C THR A 115 -5.560 -5.336 -2.297 1.00 0.00 C ATOM 1573 O THR A 115 -4.620 -5.530 -3.062 1.00 0.00 O ATOM 1574 CB THR A 115 -5.068 -2.933 -1.701 1.00 0.00 C ATOM 1575 OG1 THR A 115 -3.647 -2.744 -1.660 1.00 0.00 O ATOM 1576 CG2 THR A 115 -5.759 -1.862 -0.861 1.00 0.00 C ATOM 0 H THR A 115 -3.766 -5.472 -0.643 1.00 0.00 H new ATOM 0 HA THR A 115 -6.374 -4.217 -0.653 1.00 0.00 H new ATOM 0 HB THR A 115 -5.411 -2.849 -2.732 1.00 0.00 H new ATOM 0 HG1 THR A 115 -3.447 -1.791 -1.551 1.00 0.00 H new ATOM 0 HG21 THR A 115 -5.504 -0.875 -1.248 1.00 0.00 H new ATOM 0 HG22 THR A 115 -6.839 -2.002 -0.909 1.00 0.00 H new ATOM 0 HG23 THR A 115 -5.429 -1.943 0.175 1.00 0.00 H new