USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 713 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 69 ASN : amide:sc= 0.245 K(o=-0.78,f=-3.1) USER MOD Set 1.2: A 97 SER OG : rot 78:sc= 0.572 USER MOD Set 1.3: A 100 MET CE :methyl -167:sc= -1.6 (180deg=-2.13!) USER MOD Set 2.1: A 88 THR OG1 : rot 180:sc= -1.06 USER MOD Set 2.2: A 91 GLN : amide:sc= -0.111 X(o=-1.2,f=-1.4) USER MOD Set 3.1: A 57 MET CE :methyl -161:sc= -0.0788 (180deg=-0.465) USER MOD Set 3.2: A 61 ASN : amide:sc= 0.717 K(o=0.64,f=-3.9!) USER MOD Set 4.1: A 30 HIS : no HE2:sc= -0.109 K(o=-0.28,f=-1.3) USER MOD Set 4.2: A 37 CYS SG : rot -70:sc= -0.168 USER MOD Set 5.1: A 21 THR OG1 : rot 68:sc= 1.54 USER MOD Set 5.2: A 41 SER OG : rot 175:sc= 1.15 USER MOD Set 6.1: A 16 CYS SG : rot -170:sc= 1.41 USER MOD Set 6.2: A 59 TYR OH : rot 25:sc= 0.228 USER MOD Single : A 14 ASN : amide:sc= -0.262 X(o=-0.26,f=0) USER MOD Single : A 15 LYS NZ :NH3+ -172:sc=-0.00409 (180deg=-0.0727) USER MOD Single : A 19 MET CE :methyl -176:sc= -0.754 (180deg=-0.904) USER MOD Single : A 25 GLN : amide:sc= -0.754 X(o=-0.75,f=-0.36) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=-0.0016) USER MOD Single : A 43 GLN : amide:sc= -0.0752 K(o=-0.075,f=-0.73) USER MOD Single : A 47 CYS SG : rot 88:sc= 1.03 USER MOD Single : A 54 ASN : amide:sc= 0.0993 K(o=0.099,f=-5.2!) USER MOD Single : A 55 THR OG1 : rot -17:sc= 1.09 USER MOD Single : A 58 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0424) USER MOD Single : A 60 LYS NZ :NH3+ 172:sc=-0.00714 (180deg=-0.0854) USER MOD Single : A 65 SER OG : rot 110:sc= 0.104 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ -153:sc= -0.589 (180deg=-2.45!) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 ASN : amide:sc= 0.145 K(o=0.15,f=-0.37) USER MOD Single : A 84 CYS SG : rot -31:sc= 0.0588 USER MOD Single : A 90 GLN :FLIP amide:sc= -0.0553 F(o=-0.95,f=-0.055) USER MOD Single : A 95 MET CE :methyl -140:sc= -0.254 (180deg=-0.436) USER MOD Single : A 96 THR OG1 : rot -80:sc= -0.0832 USER MOD ----------------------------------------------------------------- ATOM 146 N ALA A 11 -6.820 16.962 -7.446 1.00 2.44 N ATOM 147 CA ALA A 11 -6.621 15.706 -8.204 1.00 32.11 C ATOM 148 C ALA A 11 -5.166 15.163 -8.084 1.00 11.35 C ATOM 149 O ALA A 11 -4.919 13.986 -8.365 1.00 53.53 O ATOM 150 CB ALA A 11 -7.000 15.937 -9.679 1.00 41.12 C ATOM 0 HA ALA A 11 -7.270 14.944 -7.772 1.00 32.11 H new ATOM 0 HB1 ALA A 11 -6.855 15.014 -10.241 1.00 41.12 H new ATOM 0 HB2 ALA A 11 -8.045 16.240 -9.743 1.00 41.12 H new ATOM 0 HB3 ALA A 11 -6.369 16.720 -10.099 1.00 41.12 H new ATOM 156 N VAL A 12 -4.221 16.046 -7.684 1.00 32.22 N ATOM 157 CA VAL A 12 -2.825 15.670 -7.332 1.00 21.14 C ATOM 158 C VAL A 12 -2.783 14.540 -6.255 1.00 60.14 C ATOM 159 O VAL A 12 -2.264 13.444 -6.501 1.00 63.44 O ATOM 160 CB VAL A 12 -2.022 16.930 -6.805 1.00 2.53 C ATOM 161 CG1 VAL A 12 -0.567 16.575 -6.431 1.00 64.32 C ATOM 162 CG2 VAL A 12 -2.056 18.093 -7.821 1.00 53.24 C ATOM 0 H VAL A 12 -4.403 17.046 -7.595 1.00 32.22 H new ATOM 0 HA VAL A 12 -2.357 15.294 -8.242 1.00 21.14 H new ATOM 0 HB VAL A 12 -2.525 17.261 -5.896 1.00 2.53 H new ATOM 0 HG11 VAL A 12 -0.054 17.469 -6.075 1.00 64.32 H new ATOM 0 HG12 VAL A 12 -0.567 15.820 -5.645 1.00 64.32 H new ATOM 0 HG13 VAL A 12 -0.050 16.186 -7.308 1.00 64.32 H new ATOM 0 HG21 VAL A 12 -1.495 18.939 -7.424 1.00 53.24 H new ATOM 0 HG22 VAL A 12 -1.608 17.769 -8.760 1.00 53.24 H new ATOM 0 HG23 VAL A 12 -3.089 18.393 -7.996 1.00 53.24 H new ATOM 172 N ARG A 13 -3.349 14.829 -5.065 1.00 0.30 N ATOM 173 CA ARG A 13 -3.401 13.861 -3.940 1.00 61.15 C ATOM 174 C ARG A 13 -4.425 12.729 -4.217 1.00 11.34 C ATOM 175 O ARG A 13 -4.212 11.580 -3.823 1.00 21.34 O ATOM 176 CB ARG A 13 -3.764 14.590 -2.617 1.00 75.13 C ATOM 177 CG ARG A 13 -3.739 13.671 -1.370 1.00 15.24 C ATOM 178 CD ARG A 13 -4.255 14.347 -0.091 1.00 5.10 C ATOM 179 NE ARG A 13 -4.273 13.407 1.047 1.00 34.54 N ATOM 180 CZ ARG A 13 -5.139 13.407 2.035 1.00 32.23 C ATOM 181 NH1 ARG A 13 -6.079 14.299 2.112 1.00 71.25 N ATOM 182 NH2 ARG A 13 -5.054 12.500 2.955 1.00 12.12 N ATOM 0 H ARG A 13 -3.780 15.729 -4.854 1.00 0.30 H new ATOM 0 HA ARG A 13 -2.413 13.411 -3.843 1.00 61.15 H new ATOM 0 HB2 ARG A 13 -3.067 15.414 -2.464 1.00 75.13 H new ATOM 0 HB3 ARG A 13 -4.758 15.027 -2.715 1.00 75.13 H new ATOM 0 HG2 ARG A 13 -4.342 12.786 -1.571 1.00 15.24 H new ATOM 0 HG3 ARG A 13 -2.718 13.329 -1.202 1.00 15.24 H new ATOM 0 HD2 ARG A 13 -3.623 15.201 0.151 1.00 5.10 H new ATOM 0 HD3 ARG A 13 -5.260 14.733 -0.262 1.00 5.10 H new ATOM 0 HE ARG A 13 -3.546 12.692 1.068 1.00 34.54 H new ATOM 0 HH11 ARG A 13 -6.157 15.021 1.396 1.00 71.25 H new ATOM 0 HH12 ARG A 13 -6.740 14.278 2.889 1.00 71.25 H new ATOM 0 HH21 ARG A 13 -4.319 11.794 2.909 1.00 12.12 H new ATOM 0 HH22 ARG A 13 -5.722 12.492 3.726 1.00 12.12 H new ATOM 196 N ASN A 14 -5.534 13.081 -4.904 1.00 33.31 N ATOM 197 CA ASN A 14 -6.636 12.137 -5.199 1.00 71.04 C ATOM 198 C ASN A 14 -6.148 10.946 -6.049 1.00 0.43 C ATOM 199 O ASN A 14 -6.409 9.799 -5.701 1.00 72.24 O ATOM 200 CB ASN A 14 -7.799 12.875 -5.908 1.00 54.21 C ATOM 201 CG ASN A 14 -9.051 12.008 -6.078 1.00 31.12 C ATOM 202 OD1 ASN A 14 -9.232 11.343 -7.090 1.00 21.30 O ATOM 203 ND2 ASN A 14 -9.911 11.997 -5.081 1.00 74.01 N ATOM 0 H ASN A 14 -5.691 14.021 -5.268 1.00 33.31 H new ATOM 0 HA ASN A 14 -6.999 11.737 -4.252 1.00 71.04 H new ATOM 0 HB2 ASN A 14 -8.057 13.766 -5.336 1.00 54.21 H new ATOM 0 HB3 ASN A 14 -7.463 13.212 -6.889 1.00 54.21 H new ATOM 0 HD21 ASN A 14 -10.753 11.425 -5.140 1.00 74.01 H new ATOM 0 HD22 ASN A 14 -9.735 12.561 -4.249 1.00 74.01 H new ATOM 210 N LYS A 15 -5.409 11.247 -7.140 1.00 43.13 N ATOM 211 CA LYS A 15 -4.861 10.229 -8.071 1.00 62.02 C ATOM 212 C LYS A 15 -3.949 9.212 -7.338 1.00 72.13 C ATOM 213 O LYS A 15 -3.949 8.026 -7.672 1.00 30.04 O ATOM 214 CB LYS A 15 -4.076 10.921 -9.225 1.00 52.33 C ATOM 215 CG LYS A 15 -3.575 9.980 -10.355 1.00 21.40 C ATOM 216 CD LYS A 15 -4.736 9.262 -11.086 1.00 32.53 C ATOM 217 CE LYS A 15 -4.263 8.391 -12.266 1.00 0.41 C ATOM 218 NZ LYS A 15 -3.583 9.188 -13.327 1.00 44.44 N ATOM 0 H LYS A 15 -5.174 12.204 -7.402 1.00 43.13 H new ATOM 0 HA LYS A 15 -5.703 9.677 -8.489 1.00 62.02 H new ATOM 0 HB2 LYS A 15 -4.716 11.684 -9.669 1.00 52.33 H new ATOM 0 HB3 LYS A 15 -3.216 11.436 -8.797 1.00 52.33 H new ATOM 0 HG2 LYS A 15 -2.998 10.559 -11.076 1.00 21.40 H new ATOM 0 HG3 LYS A 15 -2.901 9.236 -9.931 1.00 21.40 H new ATOM 0 HD2 LYS A 15 -5.274 8.636 -10.374 1.00 32.53 H new ATOM 0 HD3 LYS A 15 -5.442 10.007 -11.453 1.00 32.53 H new ATOM 0 HE2 LYS A 15 -3.580 7.625 -11.898 1.00 0.41 H new ATOM 0 HE3 LYS A 15 -5.120 7.873 -12.698 1.00 0.41 H new ATOM 0 HZ1 LYS A 15 -3.405 8.584 -14.155 1.00 44.44 H new ATOM 0 HZ2 LYS A 15 -4.190 9.986 -13.604 1.00 44.44 H new ATOM 0 HZ3 LYS A 15 -2.679 9.551 -12.963 1.00 44.44 H new ATOM 232 N CYS A 16 -3.198 9.702 -6.330 1.00 43.50 N ATOM 233 CA CYS A 16 -2.320 8.861 -5.485 1.00 1.12 C ATOM 234 C CYS A 16 -3.137 7.771 -4.749 1.00 13.11 C ATOM 235 O CYS A 16 -2.841 6.577 -4.868 1.00 75.11 O ATOM 236 CB CYS A 16 -1.551 9.740 -4.477 1.00 33.33 C ATOM 237 SG CYS A 16 -0.553 11.035 -5.256 1.00 4.50 S ATOM 0 H CYS A 16 -3.182 10.690 -6.078 1.00 43.50 H new ATOM 0 HA CYS A 16 -1.600 8.359 -6.131 1.00 1.12 H new ATOM 0 HB2 CYS A 16 -2.263 10.203 -3.795 1.00 33.33 H new ATOM 0 HB3 CYS A 16 -0.901 9.104 -3.876 1.00 33.33 H new ATOM 0 HG CYS A 16 0.212 11.589 -4.363 1.00 4.50 H new ATOM 243 N ARG A 17 -4.193 8.217 -4.035 1.00 61.05 N ATOM 244 CA ARG A 17 -5.161 7.332 -3.332 1.00 62.12 C ATOM 245 C ARG A 17 -5.802 6.289 -4.295 1.00 13.21 C ATOM 246 O ARG A 17 -5.935 5.107 -3.949 1.00 25.11 O ATOM 247 CB ARG A 17 -6.280 8.200 -2.682 1.00 61.20 C ATOM 248 CG ARG A 17 -7.289 7.418 -1.797 1.00 54.22 C ATOM 249 CD ARG A 17 -8.561 8.232 -1.482 1.00 4.32 C ATOM 250 NE ARG A 17 -9.353 8.503 -2.698 1.00 10.55 N ATOM 251 CZ ARG A 17 -10.383 9.320 -2.782 1.00 4.31 C ATOM 252 NH1 ARG A 17 -10.770 10.038 -1.774 1.00 12.52 N ATOM 253 NH2 ARG A 17 -11.021 9.416 -3.896 1.00 22.42 N ATOM 0 H ARG A 17 -4.404 9.209 -3.926 1.00 61.05 H new ATOM 0 HA ARG A 17 -4.615 6.783 -2.565 1.00 62.12 H new ATOM 0 HB2 ARG A 17 -5.811 8.974 -2.074 1.00 61.20 H new ATOM 0 HB3 ARG A 17 -6.832 8.707 -3.474 1.00 61.20 H new ATOM 0 HG2 ARG A 17 -7.570 6.494 -2.303 1.00 54.22 H new ATOM 0 HG3 ARG A 17 -6.803 7.135 -0.863 1.00 54.22 H new ATOM 0 HD2 ARG A 17 -9.173 7.687 -0.764 1.00 4.32 H new ATOM 0 HD3 ARG A 17 -8.282 9.175 -1.012 1.00 4.32 H new ATOM 0 HE ARG A 17 -9.078 8.014 -3.550 1.00 10.55 H new ATOM 0 HH11 ARG A 17 -10.273 9.979 -0.885 1.00 12.52 H new ATOM 0 HH12 ARG A 17 -11.571 10.662 -1.870 1.00 12.52 H new ATOM 0 HH21 ARG A 17 -10.727 8.863 -4.701 1.00 22.42 H new ATOM 0 HH22 ARG A 17 -11.820 10.045 -3.973 1.00 22.42 H new ATOM 267 N GLU A 18 -6.185 6.759 -5.504 1.00 34.21 N ATOM 268 CA GLU A 18 -6.825 5.921 -6.555 1.00 11.40 C ATOM 269 C GLU A 18 -5.918 4.758 -7.015 1.00 64.12 C ATOM 270 O GLU A 18 -6.364 3.612 -7.111 1.00 23.21 O ATOM 271 CB GLU A 18 -7.217 6.784 -7.790 1.00 15.31 C ATOM 272 CG GLU A 18 -8.194 7.943 -7.505 1.00 71.21 C ATOM 273 CD GLU A 18 -9.505 7.506 -6.824 1.00 31.43 C ATOM 274 OE1 GLU A 18 -10.466 7.141 -7.538 1.00 15.42 O ATOM 275 OE2 GLU A 18 -9.581 7.534 -5.577 1.00 44.43 O ATOM 0 H GLU A 18 -6.060 7.732 -5.783 1.00 34.21 H new ATOM 0 HA GLU A 18 -7.721 5.494 -6.104 1.00 11.40 H new ATOM 0 HB2 GLU A 18 -6.308 7.197 -8.226 1.00 15.31 H new ATOM 0 HB3 GLU A 18 -7.663 6.132 -8.541 1.00 15.31 H new ATOM 0 HG2 GLU A 18 -7.695 8.677 -6.872 1.00 71.21 H new ATOM 0 HG3 GLU A 18 -8.433 8.442 -8.444 1.00 71.21 H new ATOM 282 N MET A 19 -4.645 5.082 -7.291 1.00 42.44 N ATOM 283 CA MET A 19 -3.644 4.108 -7.776 1.00 10.24 C ATOM 284 C MET A 19 -3.232 3.097 -6.669 1.00 52.51 C ATOM 285 O MET A 19 -2.897 1.947 -6.968 1.00 64.45 O ATOM 286 CB MET A 19 -2.402 4.851 -8.324 1.00 34.54 C ATOM 287 CG MET A 19 -2.653 5.753 -9.544 1.00 42.34 C ATOM 288 SD MET A 19 -1.156 6.614 -10.100 1.00 31.45 S ATOM 289 CE MET A 19 -0.671 7.516 -8.626 1.00 43.14 C ATOM 0 H MET A 19 -4.276 6.027 -7.185 1.00 42.44 H new ATOM 0 HA MET A 19 -4.103 3.534 -8.581 1.00 10.24 H new ATOM 0 HB2 MET A 19 -1.983 5.461 -7.524 1.00 34.54 H new ATOM 0 HB3 MET A 19 -1.647 4.112 -8.590 1.00 34.54 H new ATOM 0 HG2 MET A 19 -3.045 5.149 -10.362 1.00 42.34 H new ATOM 0 HG3 MET A 19 -3.419 6.488 -9.296 1.00 42.34 H new ATOM 0 HE1 MET A 19 0.193 8.142 -8.850 1.00 43.14 H new ATOM 0 HE2 MET A 19 -1.498 8.144 -8.295 1.00 43.14 H new ATOM 0 HE3 MET A 19 -0.413 6.811 -7.836 1.00 43.14 H new ATOM 299 N LEU A 20 -3.257 3.542 -5.392 1.00 33.55 N ATOM 300 CA LEU A 20 -3.024 2.652 -4.219 1.00 65.23 C ATOM 301 C LEU A 20 -4.153 1.604 -4.083 1.00 34.55 C ATOM 302 O LEU A 20 -3.893 0.427 -3.809 1.00 13.33 O ATOM 303 CB LEU A 20 -2.907 3.484 -2.907 1.00 51.45 C ATOM 304 CG LEU A 20 -1.652 4.409 -2.785 1.00 51.31 C ATOM 305 CD1 LEU A 20 -1.708 5.270 -1.497 1.00 25.20 C ATOM 306 CD2 LEU A 20 -0.339 3.581 -2.863 1.00 74.42 C ATOM 0 H LEU A 20 -3.436 4.514 -5.142 1.00 33.55 H new ATOM 0 HA LEU A 20 -2.084 2.126 -4.385 1.00 65.23 H new ATOM 0 HB2 LEU A 20 -3.799 4.103 -2.813 1.00 51.45 H new ATOM 0 HB3 LEU A 20 -2.908 2.794 -2.063 1.00 51.45 H new ATOM 0 HG LEU A 20 -1.659 5.095 -3.632 1.00 51.31 H new ATOM 0 HD11 LEU A 20 -0.821 5.901 -1.443 1.00 25.20 H new ATOM 0 HD12 LEU A 20 -2.599 5.897 -1.517 1.00 25.20 H new ATOM 0 HD13 LEU A 20 -1.743 4.618 -0.624 1.00 25.20 H new ATOM 0 HD21 LEU A 20 0.518 4.249 -2.776 1.00 74.42 H new ATOM 0 HD22 LEU A 20 -0.318 2.855 -2.050 1.00 74.42 H new ATOM 0 HD23 LEU A 20 -0.295 3.058 -3.818 1.00 74.42 H new ATOM 318 N THR A 21 -5.408 2.056 -4.285 1.00 74.31 N ATOM 319 CA THR A 21 -6.599 1.169 -4.277 1.00 10.22 C ATOM 320 C THR A 21 -6.564 0.184 -5.472 1.00 42.33 C ATOM 321 O THR A 21 -6.900 -0.994 -5.332 1.00 65.04 O ATOM 322 CB THR A 21 -7.941 1.989 -4.323 1.00 25.50 C ATOM 323 OG1 THR A 21 -7.938 3.008 -3.313 1.00 24.41 O ATOM 324 CG2 THR A 21 -9.175 1.081 -4.110 1.00 10.41 C ATOM 0 H THR A 21 -5.628 3.037 -4.457 1.00 74.31 H new ATOM 0 HA THR A 21 -6.566 0.609 -3.342 1.00 10.22 H new ATOM 0 HB THR A 21 -8.006 2.441 -5.313 1.00 25.50 H new ATOM 0 HG1 THR A 21 -7.271 3.690 -3.538 1.00 24.41 H new ATOM 0 HG21 THR A 21 -10.082 1.685 -4.149 1.00 10.41 H new ATOM 0 HG22 THR A 21 -9.209 0.324 -4.893 1.00 10.41 H new ATOM 0 HG23 THR A 21 -9.105 0.594 -3.138 1.00 10.41 H new ATOM 332 N ALA A 22 -6.131 0.694 -6.643 1.00 70.35 N ATOM 333 CA ALA A 22 -5.957 -0.104 -7.881 1.00 5.05 C ATOM 334 C ALA A 22 -4.875 -1.202 -7.706 1.00 12.32 C ATOM 335 O ALA A 22 -4.994 -2.293 -8.270 1.00 34.53 O ATOM 336 CB ALA A 22 -5.602 0.821 -9.055 1.00 42.02 C ATOM 0 H ALA A 22 -5.890 1.678 -6.760 1.00 70.35 H new ATOM 0 HA ALA A 22 -6.900 -0.607 -8.094 1.00 5.05 H new ATOM 0 HB1 ALA A 22 -5.476 0.228 -9.961 1.00 42.02 H new ATOM 0 HB2 ALA A 22 -6.404 1.544 -9.204 1.00 42.02 H new ATOM 0 HB3 ALA A 22 -4.674 1.349 -8.835 1.00 42.02 H new ATOM 342 N ALA A 23 -3.826 -0.887 -6.920 1.00 23.11 N ATOM 343 CA ALA A 23 -2.770 -1.856 -6.535 1.00 11.41 C ATOM 344 C ALA A 23 -3.340 -2.979 -5.644 1.00 42.41 C ATOM 345 O ALA A 23 -2.962 -4.136 -5.784 1.00 22.14 O ATOM 346 CB ALA A 23 -1.621 -1.134 -5.818 1.00 65.33 C ATOM 0 H ALA A 23 -3.683 0.046 -6.532 1.00 23.11 H new ATOM 0 HA ALA A 23 -2.385 -2.315 -7.446 1.00 11.41 H new ATOM 0 HB1 ALA A 23 -0.853 -1.857 -5.541 1.00 65.33 H new ATOM 0 HB2 ALA A 23 -1.191 -0.385 -6.483 1.00 65.33 H new ATOM 0 HB3 ALA A 23 -2.001 -0.647 -4.920 1.00 65.33 H new ATOM 352 N LEU A 24 -4.255 -2.614 -4.731 1.00 31.05 N ATOM 353 CA LEU A 24 -4.968 -3.583 -3.852 1.00 21.13 C ATOM 354 C LEU A 24 -6.059 -4.392 -4.623 1.00 13.25 C ATOM 355 O LEU A 24 -6.548 -5.423 -4.138 1.00 74.11 O ATOM 356 CB LEU A 24 -5.596 -2.824 -2.647 1.00 20.10 C ATOM 357 CG LEU A 24 -4.593 -2.055 -1.717 1.00 3.31 C ATOM 358 CD1 LEU A 24 -5.336 -1.225 -0.637 1.00 22.10 C ATOM 359 CD2 LEU A 24 -3.567 -3.022 -1.071 1.00 31.13 C ATOM 0 H LEU A 24 -4.528 -1.644 -4.574 1.00 31.05 H new ATOM 0 HA LEU A 24 -4.239 -4.308 -3.490 1.00 21.13 H new ATOM 0 HB2 LEU A 24 -6.323 -2.109 -3.033 1.00 20.10 H new ATOM 0 HB3 LEU A 24 -6.147 -3.542 -2.039 1.00 20.10 H new ATOM 0 HG LEU A 24 -4.041 -1.356 -2.345 1.00 3.31 H new ATOM 0 HD11 LEU A 24 -4.609 -0.707 -0.012 1.00 22.10 H new ATOM 0 HD12 LEU A 24 -5.984 -0.495 -1.121 1.00 22.10 H new ATOM 0 HD13 LEU A 24 -5.938 -1.890 -0.018 1.00 22.10 H new ATOM 0 HD21 LEU A 24 -2.887 -2.458 -0.433 1.00 31.13 H new ATOM 0 HD22 LEU A 24 -4.094 -3.765 -0.472 1.00 31.13 H new ATOM 0 HD23 LEU A 24 -2.998 -3.524 -1.853 1.00 31.13 H new ATOM 371 N GLN A 25 -6.435 -3.904 -5.823 1.00 22.23 N ATOM 372 CA GLN A 25 -7.478 -4.526 -6.687 1.00 15.35 C ATOM 373 C GLN A 25 -6.905 -5.041 -8.037 1.00 24.51 C ATOM 374 O GLN A 25 -7.677 -5.367 -8.945 1.00 3.22 O ATOM 375 CB GLN A 25 -8.611 -3.493 -6.955 1.00 1.44 C ATOM 376 CG GLN A 25 -9.395 -3.067 -5.698 1.00 52.43 C ATOM 377 CD GLN A 25 -10.455 -1.982 -5.940 1.00 75.32 C ATOM 378 OE1 GLN A 25 -11.492 -1.967 -5.295 1.00 12.42 O ATOM 379 NE2 GLN A 25 -10.188 -1.041 -6.828 1.00 10.21 N ATOM 0 H GLN A 25 -6.025 -3.063 -6.229 1.00 22.23 H new ATOM 0 HA GLN A 25 -7.871 -5.392 -6.155 1.00 15.35 H new ATOM 0 HB2 GLN A 25 -8.176 -2.606 -7.415 1.00 1.44 H new ATOM 0 HB3 GLN A 25 -9.309 -3.917 -7.677 1.00 1.44 H new ATOM 0 HG2 GLN A 25 -9.883 -3.945 -5.276 1.00 52.43 H new ATOM 0 HG3 GLN A 25 -8.688 -2.705 -4.951 1.00 52.43 H new ATOM 0 HE21 GLN A 25 -9.316 -1.071 -7.357 1.00 10.21 H new ATOM 0 HE22 GLN A 25 -10.854 -0.284 -6.985 1.00 10.21 H new ATOM 388 N THR A 26 -5.562 -5.150 -8.149 1.00 51.42 N ATOM 389 CA THR A 26 -4.886 -5.610 -9.405 1.00 30.02 C ATOM 390 C THR A 26 -5.264 -7.071 -9.787 1.00 32.12 C ATOM 391 O THR A 26 -5.465 -7.383 -10.969 1.00 14.34 O ATOM 392 CB THR A 26 -3.323 -5.465 -9.329 1.00 4.51 C ATOM 393 OG1 THR A 26 -2.715 -5.922 -10.555 1.00 23.33 O ATOM 394 CG2 THR A 26 -2.716 -6.229 -8.143 1.00 42.21 C ATOM 0 H THR A 26 -4.917 -4.928 -7.391 1.00 51.42 H new ATOM 0 HA THR A 26 -5.254 -4.950 -10.190 1.00 30.02 H new ATOM 0 HB THR A 26 -3.115 -4.405 -9.182 1.00 4.51 H new ATOM 0 HG1 THR A 26 -1.742 -5.824 -10.494 1.00 23.33 H new ATOM 0 HG21 THR A 26 -1.634 -6.094 -8.139 1.00 42.21 H new ATOM 0 HG22 THR A 26 -3.133 -5.846 -7.212 1.00 42.21 H new ATOM 0 HG23 THR A 26 -2.949 -7.290 -8.236 1.00 42.21 H new ATOM 402 N ASP A 27 -5.343 -7.966 -8.780 1.00 12.42 N ATOM 403 CA ASP A 27 -5.904 -9.335 -8.944 1.00 55.34 C ATOM 404 C ASP A 27 -7.260 -9.464 -8.208 1.00 4.52 C ATOM 405 O ASP A 27 -7.821 -10.562 -8.120 1.00 41.34 O ATOM 406 CB ASP A 27 -4.891 -10.396 -8.436 1.00 25.21 C ATOM 407 CG ASP A 27 -3.623 -10.456 -9.292 1.00 73.10 C ATOM 408 OD1 ASP A 27 -2.724 -9.614 -9.106 1.00 44.32 O ATOM 409 OD2 ASP A 27 -3.532 -11.323 -10.188 1.00 42.14 O ATOM 0 H ASP A 27 -5.023 -7.767 -7.832 1.00 12.42 H new ATOM 0 HA ASP A 27 -6.082 -9.513 -10.005 1.00 55.34 H new ATOM 0 HB2 ASP A 27 -4.619 -10.169 -7.405 1.00 25.21 H new ATOM 0 HB3 ASP A 27 -5.368 -11.376 -8.431 1.00 25.21 H new ATOM 414 N HIS A 28 -7.780 -8.307 -7.712 1.00 4.54 N ATOM 415 CA HIS A 28 -9.053 -8.197 -6.948 1.00 41.22 C ATOM 416 C HIS A 28 -9.020 -9.065 -5.658 1.00 52.53 C ATOM 417 O HIS A 28 -10.041 -9.594 -5.223 1.00 1.15 O ATOM 418 CB HIS A 28 -10.275 -8.551 -7.851 1.00 52.42 C ATOM 419 CG HIS A 28 -10.311 -7.817 -9.169 1.00 22.14 C ATOM 420 ND1 HIS A 28 -9.938 -8.395 -10.358 1.00 74.43 N ATOM 421 CD2 HIS A 28 -10.668 -6.552 -9.476 1.00 12.01 C ATOM 422 CE1 HIS A 28 -10.068 -7.521 -11.331 1.00 71.40 C ATOM 423 NE2 HIS A 28 -10.508 -6.394 -10.825 1.00 63.23 N ATOM 0 H HIS A 28 -7.316 -7.407 -7.835 1.00 4.54 H new ATOM 0 HA HIS A 28 -9.165 -7.160 -6.631 1.00 41.22 H new ATOM 0 HB2 HIS A 28 -10.268 -9.623 -8.047 1.00 52.42 H new ATOM 0 HB3 HIS A 28 -11.191 -8.333 -7.303 1.00 52.42 H new ATOM 0 HD2 HIS A 28 -11.017 -5.801 -8.782 1.00 12.01 H new ATOM 0 HE1 HIS A 28 -9.849 -7.701 -12.373 1.00 71.40 H new ATOM 0 HE2 HIS A 28 -10.699 -5.541 -11.350 1.00 63.23 H new ATOM 432 N ASP A 29 -7.832 -9.118 -5.025 1.00 42.10 N ATOM 433 CA ASP A 29 -7.509 -10.026 -3.885 1.00 31.24 C ATOM 434 C ASP A 29 -8.439 -9.822 -2.663 1.00 41.52 C ATOM 435 O ASP A 29 -8.748 -10.777 -1.932 1.00 4.34 O ATOM 436 CB ASP A 29 -6.035 -9.801 -3.450 1.00 10.13 C ATOM 437 CG ASP A 29 -5.046 -9.869 -4.621 1.00 44.04 C ATOM 438 OD1 ASP A 29 -4.985 -8.896 -5.408 1.00 3.35 O ATOM 439 OD2 ASP A 29 -4.335 -10.885 -4.769 1.00 61.10 O ATOM 0 H ASP A 29 -7.048 -8.522 -5.290 1.00 42.10 H new ATOM 0 HA ASP A 29 -7.662 -11.046 -4.237 1.00 31.24 H new ATOM 0 HB2 ASP A 29 -5.950 -8.828 -2.966 1.00 10.13 H new ATOM 0 HB3 ASP A 29 -5.763 -10.551 -2.708 1.00 10.13 H new ATOM 444 N HIS A 30 -8.880 -8.565 -2.461 1.00 33.34 N ATOM 445 CA HIS A 30 -9.746 -8.181 -1.327 1.00 3.43 C ATOM 446 C HIS A 30 -11.133 -8.893 -1.376 1.00 15.05 C ATOM 447 O HIS A 30 -11.796 -9.023 -0.351 1.00 54.04 O ATOM 448 CB HIS A 30 -9.933 -6.636 -1.283 1.00 51.11 C ATOM 449 CG HIS A 30 -10.970 -6.084 -2.234 1.00 60.33 C ATOM 450 ND1 HIS A 30 -12.298 -5.937 -1.882 1.00 2.41 N ATOM 451 CD2 HIS A 30 -10.882 -5.651 -3.515 1.00 21.43 C ATOM 452 CE1 HIS A 30 -12.970 -5.449 -2.894 1.00 42.24 C ATOM 453 NE2 HIS A 30 -12.140 -5.261 -3.893 1.00 40.33 N ATOM 0 H HIS A 30 -8.647 -7.787 -3.078 1.00 33.34 H new ATOM 0 HA HIS A 30 -9.245 -8.508 -0.415 1.00 3.43 H new ATOM 0 HB2 HIS A 30 -10.205 -6.348 -0.268 1.00 51.11 H new ATOM 0 HB3 HIS A 30 -8.975 -6.164 -1.502 1.00 51.11 H new ATOM 0 HD1 HIS A 30 -12.694 -6.173 -0.972 1.00 2.41 H new ATOM 0 HD2 HIS A 30 -9.990 -5.619 -4.123 1.00 21.43 H new ATOM 0 HE1 HIS A 30 -14.029 -5.237 -2.905 1.00 42.24 H new ATOM 462 N VAL A 31 -11.554 -9.314 -2.592 1.00 31.51 N ATOM 463 CA VAL A 31 -12.850 -10.004 -2.822 1.00 41.21 C ATOM 464 C VAL A 31 -12.839 -11.435 -2.227 1.00 11.34 C ATOM 465 O VAL A 31 -13.731 -11.792 -1.455 1.00 61.21 O ATOM 466 CB VAL A 31 -13.202 -10.058 -4.360 1.00 0.55 C ATOM 467 CG1 VAL A 31 -14.540 -10.796 -4.632 1.00 74.32 C ATOM 468 CG2 VAL A 31 -13.221 -8.633 -4.968 1.00 22.45 C ATOM 0 H VAL A 31 -11.006 -9.186 -3.443 1.00 31.51 H new ATOM 0 HA VAL A 31 -13.620 -9.425 -2.311 1.00 41.21 H new ATOM 0 HB VAL A 31 -12.417 -10.634 -4.850 1.00 0.55 H new ATOM 0 HG11 VAL A 31 -14.738 -10.807 -5.704 1.00 74.32 H new ATOM 0 HG12 VAL A 31 -14.472 -11.820 -4.265 1.00 74.32 H new ATOM 0 HG13 VAL A 31 -15.351 -10.280 -4.118 1.00 74.32 H new ATOM 0 HG21 VAL A 31 -13.466 -8.693 -6.028 1.00 22.45 H new ATOM 0 HG22 VAL A 31 -13.970 -8.029 -4.456 1.00 22.45 H new ATOM 0 HG23 VAL A 31 -12.240 -8.173 -4.847 1.00 22.45 H new ATOM 478 N ALA A 32 -11.801 -12.229 -2.587 1.00 11.53 N ATOM 479 CA ALA A 32 -11.612 -13.621 -2.085 1.00 44.44 C ATOM 480 C ALA A 32 -11.523 -13.684 -0.538 1.00 50.11 C ATOM 481 O ALA A 32 -11.976 -14.651 0.088 1.00 20.41 O ATOM 482 CB ALA A 32 -10.348 -14.240 -2.711 1.00 74.03 C ATOM 0 H ALA A 32 -11.070 -11.927 -3.232 1.00 11.53 H new ATOM 0 HA ALA A 32 -12.490 -14.194 -2.383 1.00 44.44 H new ATOM 0 HB1 ALA A 32 -10.218 -15.256 -2.339 1.00 74.03 H new ATOM 0 HB2 ALA A 32 -10.452 -14.261 -3.796 1.00 74.03 H new ATOM 0 HB3 ALA A 32 -9.478 -13.641 -2.442 1.00 74.03 H new ATOM 488 N ILE A 33 -10.935 -12.635 0.054 1.00 40.52 N ATOM 489 CA ILE A 33 -10.797 -12.499 1.521 1.00 25.45 C ATOM 490 C ILE A 33 -12.088 -11.896 2.158 1.00 60.44 C ATOM 491 O ILE A 33 -12.449 -12.241 3.283 1.00 61.12 O ATOM 492 CB ILE A 33 -9.538 -11.617 1.866 1.00 60.11 C ATOM 493 CG1 ILE A 33 -8.260 -12.208 1.168 1.00 44.12 C ATOM 494 CG2 ILE A 33 -9.325 -11.495 3.401 1.00 22.20 C ATOM 495 CD1 ILE A 33 -6.997 -11.378 1.319 1.00 0.40 C ATOM 0 H ILE A 33 -10.539 -11.853 -0.467 1.00 40.52 H new ATOM 0 HA ILE A 33 -10.656 -13.493 1.945 1.00 25.45 H new ATOM 0 HB ILE A 33 -9.715 -10.611 1.486 1.00 60.11 H new ATOM 0 HG12 ILE A 33 -8.072 -13.203 1.572 1.00 44.12 H new ATOM 0 HG13 ILE A 33 -8.470 -12.330 0.105 1.00 44.12 H new ATOM 0 HG21 ILE A 33 -8.447 -10.879 3.599 1.00 22.20 H new ATOM 0 HG22 ILE A 33 -10.202 -11.033 3.854 1.00 22.20 H new ATOM 0 HG23 ILE A 33 -9.176 -12.487 3.828 1.00 22.20 H new ATOM 0 HD11 ILE A 33 -6.174 -11.871 0.802 1.00 0.40 H new ATOM 0 HD12 ILE A 33 -7.157 -10.390 0.887 1.00 0.40 H new ATOM 0 HD13 ILE A 33 -6.753 -11.276 2.376 1.00 0.40 H new ATOM 507 N GLY A 34 -12.779 -11.014 1.414 1.00 30.35 N ATOM 508 CA GLY A 34 -14.022 -10.369 1.887 1.00 24.03 C ATOM 509 C GLY A 34 -13.795 -9.101 2.728 1.00 34.31 C ATOM 510 O GLY A 34 -14.612 -8.777 3.599 1.00 2.35 O ATOM 0 H GLY A 34 -12.497 -10.729 0.476 1.00 30.35 H new ATOM 0 HA2 GLY A 34 -14.636 -10.113 1.024 1.00 24.03 H new ATOM 0 HA3 GLY A 34 -14.588 -11.088 2.480 1.00 24.03 H new ATOM 514 N ALA A 35 -12.678 -8.387 2.476 1.00 1.13 N ATOM 515 CA ALA A 35 -12.345 -7.103 3.153 1.00 61.33 C ATOM 516 C ALA A 35 -12.394 -5.925 2.155 1.00 25.24 C ATOM 517 O ALA A 35 -12.087 -6.102 0.979 1.00 32.23 O ATOM 518 CB ALA A 35 -10.952 -7.196 3.801 1.00 63.41 C ATOM 0 H ALA A 35 -11.976 -8.680 1.797 1.00 1.13 H new ATOM 0 HA ALA A 35 -13.088 -6.920 3.930 1.00 61.33 H new ATOM 0 HB1 ALA A 35 -10.716 -6.253 4.294 1.00 63.41 H new ATOM 0 HB2 ALA A 35 -10.946 -8.001 4.536 1.00 63.41 H new ATOM 0 HB3 ALA A 35 -10.206 -7.400 3.033 1.00 63.41 H new ATOM 524 N ASP A 36 -12.790 -4.726 2.626 1.00 73.53 N ATOM 525 CA ASP A 36 -12.833 -3.509 1.780 1.00 61.24 C ATOM 526 C ASP A 36 -11.430 -2.850 1.705 1.00 54.34 C ATOM 527 O ASP A 36 -10.895 -2.394 2.713 1.00 22.51 O ATOM 528 CB ASP A 36 -13.876 -2.502 2.329 1.00 24.12 C ATOM 529 CG ASP A 36 -15.265 -3.124 2.497 1.00 14.02 C ATOM 530 OD1 ASP A 36 -16.027 -3.177 1.512 1.00 24.14 O ATOM 531 OD2 ASP A 36 -15.584 -3.601 3.607 1.00 42.15 O ATOM 0 H ASP A 36 -13.086 -4.571 3.590 1.00 73.53 H new ATOM 0 HA ASP A 36 -13.132 -3.800 0.773 1.00 61.24 H new ATOM 0 HB2 ASP A 36 -13.535 -2.120 3.291 1.00 24.12 H new ATOM 0 HB3 ASP A 36 -13.943 -1.650 1.653 1.00 24.12 H new ATOM 536 N CYS A 37 -10.839 -2.834 0.503 1.00 60.33 N ATOM 537 CA CYS A 37 -9.506 -2.231 0.246 1.00 5.15 C ATOM 538 C CYS A 37 -9.533 -0.681 0.257 1.00 63.10 C ATOM 539 O CYS A 37 -8.525 -0.043 0.563 1.00 25.11 O ATOM 540 CB CYS A 37 -8.997 -2.727 -1.115 1.00 42.34 C ATOM 541 SG CYS A 37 -10.142 -2.406 -2.467 1.00 1.13 S ATOM 0 H CYS A 37 -11.267 -3.239 -0.329 1.00 60.33 H new ATOM 0 HA CYS A 37 -8.840 -2.540 1.052 1.00 5.15 H new ATOM 0 HB2 CYS A 37 -8.043 -2.247 -1.335 1.00 42.34 H new ATOM 0 HB3 CYS A 37 -8.808 -3.799 -1.055 1.00 42.34 H new ATOM 0 HG CYS A 37 -11.186 -3.170 -2.342 1.00 1.13 H new ATOM 547 N GLU A 38 -10.703 -0.102 -0.059 1.00 34.42 N ATOM 548 CA GLU A 38 -10.871 1.361 -0.285 1.00 22.41 C ATOM 549 C GLU A 38 -10.702 2.177 1.022 1.00 35.34 C ATOM 550 O GLU A 38 -10.099 3.256 1.028 1.00 60.43 O ATOM 551 CB GLU A 38 -12.267 1.622 -0.909 1.00 34.20 C ATOM 552 CG GLU A 38 -12.625 0.658 -2.060 1.00 1.34 C ATOM 553 CD GLU A 38 -14.004 0.937 -2.675 1.00 34.13 C ATOM 554 OE1 GLU A 38 -15.020 0.525 -2.078 1.00 15.34 O ATOM 555 OE2 GLU A 38 -14.079 1.574 -3.752 1.00 55.12 O ATOM 0 H GLU A 38 -11.569 -0.630 -0.168 1.00 34.42 H new ATOM 0 HA GLU A 38 -10.089 1.692 -0.968 1.00 22.41 H new ATOM 0 HB2 GLU A 38 -13.024 1.539 -0.129 1.00 34.20 H new ATOM 0 HB3 GLU A 38 -12.303 2.646 -1.281 1.00 34.20 H new ATOM 0 HG2 GLU A 38 -11.865 0.733 -2.838 1.00 1.34 H new ATOM 0 HG3 GLU A 38 -12.600 -0.366 -1.688 1.00 1.34 H new ATOM 562 N ARG A 39 -11.264 1.641 2.121 1.00 60.21 N ATOM 563 CA ARG A 39 -11.110 2.216 3.482 1.00 13.52 C ATOM 564 C ARG A 39 -9.642 2.113 3.973 1.00 14.24 C ATOM 565 O ARG A 39 -9.152 3.004 4.669 1.00 42.41 O ATOM 566 CB ARG A 39 -12.075 1.493 4.467 1.00 22.22 C ATOM 567 CG ARG A 39 -11.791 -0.015 4.645 1.00 51.23 C ATOM 568 CD ARG A 39 -12.893 -0.766 5.404 1.00 72.43 C ATOM 569 NE ARG A 39 -13.071 -0.278 6.779 1.00 43.23 N ATOM 570 CZ ARG A 39 -13.978 -0.713 7.626 1.00 40.23 C ATOM 571 NH1 ARG A 39 -14.848 -1.619 7.291 1.00 32.51 N ATOM 572 NH2 ARG A 39 -14.018 -0.223 8.817 1.00 72.11 N ATOM 0 H ARG A 39 -11.838 0.798 2.097 1.00 60.21 H new ATOM 0 HA ARG A 39 -11.367 3.275 3.444 1.00 13.52 H new ATOM 0 HB2 ARG A 39 -12.013 1.980 5.440 1.00 22.22 H new ATOM 0 HB3 ARG A 39 -13.098 1.619 4.112 1.00 22.22 H new ATOM 0 HG2 ARG A 39 -11.664 -0.470 3.663 1.00 51.23 H new ATOM 0 HG3 ARG A 39 -10.848 -0.137 5.177 1.00 51.23 H new ATOM 0 HD2 ARG A 39 -13.834 -0.665 4.863 1.00 72.43 H new ATOM 0 HD3 ARG A 39 -12.651 -1.829 5.429 1.00 72.43 H new ATOM 0 HE ARG A 39 -12.441 0.456 7.102 1.00 43.23 H new ATOM 0 HH11 ARG A 39 -14.839 -2.012 6.350 1.00 32.51 H new ATOM 0 HH12 ARG A 39 -15.540 -1.937 7.969 1.00 32.51 H new ATOM 0 HH21 ARG A 39 -13.350 0.496 9.095 1.00 72.11 H new ATOM 0 HH22 ARG A 39 -14.718 -0.554 9.481 1.00 72.11 H new ATOM 586 N LEU A 40 -8.951 1.020 3.574 1.00 62.34 N ATOM 587 CA LEU A 40 -7.548 0.758 3.962 1.00 65.44 C ATOM 588 C LEU A 40 -6.580 1.733 3.260 1.00 62.41 C ATOM 589 O LEU A 40 -5.679 2.271 3.892 1.00 35.11 O ATOM 590 CB LEU A 40 -7.155 -0.710 3.639 1.00 44.22 C ATOM 591 CG LEU A 40 -8.047 -1.822 4.284 1.00 24.34 C ATOM 592 CD1 LEU A 40 -7.552 -3.238 3.893 1.00 52.03 C ATOM 593 CD2 LEU A 40 -8.146 -1.658 5.823 1.00 11.24 C ATOM 0 H LEU A 40 -9.351 0.297 2.975 1.00 62.34 H new ATOM 0 HA LEU A 40 -7.469 0.916 5.038 1.00 65.44 H new ATOM 0 HB2 LEU A 40 -7.175 -0.840 2.557 1.00 44.22 H new ATOM 0 HB3 LEU A 40 -6.125 -0.868 3.960 1.00 44.22 H new ATOM 0 HG LEU A 40 -9.054 -1.704 3.884 1.00 24.34 H new ATOM 0 HD11 LEU A 40 -8.192 -3.988 4.357 1.00 52.03 H new ATOM 0 HD12 LEU A 40 -7.588 -3.350 2.809 1.00 52.03 H new ATOM 0 HD13 LEU A 40 -6.527 -3.373 4.237 1.00 52.03 H new ATOM 0 HD21 LEU A 40 -8.774 -2.449 6.234 1.00 11.24 H new ATOM 0 HD22 LEU A 40 -7.150 -1.721 6.261 1.00 11.24 H new ATOM 0 HD23 LEU A 40 -8.584 -0.688 6.058 1.00 11.24 H new ATOM 605 N SER A 41 -6.806 1.964 1.950 1.00 2.43 N ATOM 606 CA SER A 41 -5.982 2.871 1.111 1.00 52.21 C ATOM 607 C SER A 41 -6.107 4.345 1.562 1.00 64.11 C ATOM 608 O SER A 41 -5.175 5.125 1.384 1.00 12.11 O ATOM 609 CB SER A 41 -6.384 2.742 -0.370 1.00 12.44 C ATOM 610 OG SER A 41 -7.749 3.084 -0.552 1.00 53.13 O ATOM 0 H SER A 41 -7.570 1.525 1.437 1.00 2.43 H new ATOM 0 HA SER A 41 -4.941 2.571 1.233 1.00 52.21 H new ATOM 0 HB2 SER A 41 -5.757 3.392 -0.980 1.00 12.44 H new ATOM 0 HB3 SER A 41 -6.211 1.721 -0.711 1.00 12.44 H new ATOM 0 HG SER A 41 -7.962 3.081 -1.508 1.00 53.13 H new ATOM 616 N ALA A 42 -7.285 4.711 2.113 1.00 74.24 N ATOM 617 CA ALA A 42 -7.521 6.041 2.730 1.00 14.02 C ATOM 618 C ALA A 42 -6.709 6.214 4.043 1.00 52.13 C ATOM 619 O ALA A 42 -6.243 7.314 4.358 1.00 73.45 O ATOM 620 CB ALA A 42 -9.024 6.244 2.995 1.00 62.12 C ATOM 0 H ALA A 42 -8.099 4.097 2.144 1.00 74.24 H new ATOM 0 HA ALA A 42 -7.178 6.801 2.029 1.00 14.02 H new ATOM 0 HB1 ALA A 42 -9.185 7.223 3.447 1.00 62.12 H new ATOM 0 HB2 ALA A 42 -9.571 6.185 2.054 1.00 62.12 H new ATOM 0 HB3 ALA A 42 -9.382 5.468 3.672 1.00 62.12 H new ATOM 626 N GLN A 43 -6.559 5.110 4.801 1.00 22.24 N ATOM 627 CA GLN A 43 -5.735 5.080 6.038 1.00 50.41 C ATOM 628 C GLN A 43 -4.212 5.072 5.713 1.00 0.11 C ATOM 629 O GLN A 43 -3.405 5.599 6.481 1.00 13.23 O ATOM 630 CB GLN A 43 -6.106 3.845 6.897 1.00 55.31 C ATOM 631 CG GLN A 43 -7.581 3.778 7.340 1.00 31.11 C ATOM 632 CD GLN A 43 -7.944 2.476 8.065 1.00 63.25 C ATOM 633 OE1 GLN A 43 -7.124 1.873 8.745 1.00 70.45 O ATOM 634 NE2 GLN A 43 -9.173 2.015 7.903 1.00 52.03 N ATOM 0 H GLN A 43 -7.000 4.217 4.580 1.00 22.24 H new ATOM 0 HA GLN A 43 -5.949 5.988 6.602 1.00 50.41 H new ATOM 0 HB2 GLN A 43 -5.871 2.944 6.331 1.00 55.31 H new ATOM 0 HB3 GLN A 43 -5.475 3.837 7.786 1.00 55.31 H new ATOM 0 HG2 GLN A 43 -7.793 4.622 7.997 1.00 31.11 H new ATOM 0 HG3 GLN A 43 -8.220 3.887 6.464 1.00 31.11 H new ATOM 0 HE21 GLN A 43 -9.841 2.533 7.332 1.00 52.03 H new ATOM 0 HE22 GLN A 43 -9.453 1.141 8.349 1.00 52.03 H new ATOM 643 N ILE A 44 -3.833 4.443 4.579 1.00 30.04 N ATOM 644 CA ILE A 44 -2.454 4.526 4.030 1.00 23.52 C ATOM 645 C ILE A 44 -2.162 5.980 3.580 1.00 23.52 C ATOM 646 O ILE A 44 -1.091 6.529 3.868 1.00 12.13 O ATOM 647 CB ILE A 44 -2.254 3.544 2.803 1.00 31.04 C ATOM 648 CG1 ILE A 44 -2.535 2.063 3.221 1.00 73.20 C ATOM 649 CG2 ILE A 44 -0.833 3.678 2.182 1.00 45.44 C ATOM 650 CD1 ILE A 44 -2.525 1.048 2.083 1.00 24.21 C ATOM 0 H ILE A 44 -4.464 3.868 4.021 1.00 30.04 H new ATOM 0 HA ILE A 44 -1.761 4.229 4.817 1.00 23.52 H new ATOM 0 HB ILE A 44 -2.976 3.830 2.038 1.00 31.04 H new ATOM 0 HG12 ILE A 44 -1.790 1.764 3.958 1.00 73.20 H new ATOM 0 HG13 ILE A 44 -3.506 2.021 3.714 1.00 73.20 H new ATOM 0 HG21 ILE A 44 -0.736 2.988 1.344 1.00 45.44 H new ATOM 0 HG22 ILE A 44 -0.684 4.699 1.831 1.00 45.44 H new ATOM 0 HG23 ILE A 44 -0.083 3.441 2.936 1.00 45.44 H new ATOM 0 HD11 ILE A 44 -2.730 0.054 2.480 1.00 24.21 H new ATOM 0 HD12 ILE A 44 -3.290 1.312 1.353 1.00 24.21 H new ATOM 0 HD13 ILE A 44 -1.547 1.051 1.601 1.00 24.21 H new ATOM 662 N GLU A 45 -3.162 6.578 2.898 1.00 54.32 N ATOM 663 CA GLU A 45 -3.104 7.949 2.355 1.00 55.32 C ATOM 664 C GLU A 45 -2.826 8.993 3.461 1.00 50.11 C ATOM 665 O GLU A 45 -1.915 9.796 3.320 1.00 41.44 O ATOM 666 CB GLU A 45 -4.424 8.278 1.591 1.00 23.13 C ATOM 667 CG GLU A 45 -4.569 9.725 1.055 1.00 62.32 C ATOM 668 CD GLU A 45 -3.422 10.178 0.123 1.00 72.34 C ATOM 669 OE1 GLU A 45 -3.414 9.776 -1.060 1.00 3.24 O ATOM 670 OE2 GLU A 45 -2.532 10.940 0.584 1.00 71.41 O ATOM 0 H GLU A 45 -4.048 6.111 2.707 1.00 54.32 H new ATOM 0 HA GLU A 45 -2.271 8.000 1.654 1.00 55.32 H new ATOM 0 HB2 GLU A 45 -4.511 7.592 0.749 1.00 23.13 H new ATOM 0 HB3 GLU A 45 -5.263 8.075 2.256 1.00 23.13 H new ATOM 0 HG2 GLU A 45 -5.513 9.807 0.516 1.00 62.32 H new ATOM 0 HG3 GLU A 45 -4.625 10.409 1.902 1.00 62.32 H new ATOM 677 N GLU A 46 -3.592 8.957 4.569 1.00 65.21 N ATOM 678 CA GLU A 46 -3.401 9.911 5.692 1.00 34.05 C ATOM 679 C GLU A 46 -2.007 9.758 6.352 1.00 52.32 C ATOM 680 O GLU A 46 -1.365 10.758 6.657 1.00 75.11 O ATOM 681 CB GLU A 46 -4.519 9.781 6.764 1.00 52.14 C ATOM 682 CG GLU A 46 -4.636 8.403 7.437 1.00 11.35 C ATOM 683 CD GLU A 46 -5.676 8.360 8.572 1.00 12.42 C ATOM 684 OE1 GLU A 46 -5.318 8.697 9.722 1.00 42.53 O ATOM 685 OE2 GLU A 46 -6.849 8.009 8.320 1.00 4.31 O ATOM 0 H GLU A 46 -4.345 8.285 4.715 1.00 65.21 H new ATOM 0 HA GLU A 46 -3.463 10.908 5.257 1.00 34.05 H new ATOM 0 HB2 GLU A 46 -4.345 10.530 7.537 1.00 52.14 H new ATOM 0 HB3 GLU A 46 -5.475 10.020 6.298 1.00 52.14 H new ATOM 0 HG2 GLU A 46 -4.901 7.661 6.684 1.00 11.35 H new ATOM 0 HG3 GLU A 46 -3.662 8.119 7.836 1.00 11.35 H new ATOM 692 N CYS A 47 -1.540 8.502 6.515 1.00 73.03 N ATOM 693 CA CYS A 47 -0.252 8.193 7.189 1.00 61.52 C ATOM 694 C CYS A 47 0.974 8.723 6.398 1.00 35.14 C ATOM 695 O CYS A 47 1.907 9.280 6.994 1.00 43.12 O ATOM 696 CB CYS A 47 -0.124 6.675 7.451 1.00 65.45 C ATOM 697 SG CYS A 47 -1.324 6.034 8.646 1.00 11.32 S ATOM 0 H CYS A 47 -2.039 7.675 6.187 1.00 73.03 H new ATOM 0 HA CYS A 47 -0.259 8.715 8.146 1.00 61.52 H new ATOM 0 HB2 CYS A 47 -0.245 6.142 6.508 1.00 65.45 H new ATOM 0 HB3 CYS A 47 0.882 6.462 7.811 1.00 65.45 H new ATOM 0 HG CYS A 47 -2.418 5.702 8.027 1.00 11.32 H new ATOM 703 N ILE A 48 0.966 8.552 5.061 1.00 52.10 N ATOM 704 CA ILE A 48 2.028 9.106 4.180 1.00 63.14 C ATOM 705 C ILE A 48 1.874 10.653 4.030 1.00 53.32 C ATOM 706 O ILE A 48 2.870 11.382 3.949 1.00 71.20 O ATOM 707 CB ILE A 48 2.046 8.394 2.762 1.00 55.13 C ATOM 708 CG1 ILE A 48 3.280 8.856 1.908 1.00 5.31 C ATOM 709 CG2 ILE A 48 0.720 8.613 1.985 1.00 25.52 C ATOM 710 CD1 ILE A 48 3.400 8.201 0.541 1.00 14.35 C ATOM 0 H ILE A 48 0.240 8.037 4.563 1.00 52.10 H new ATOM 0 HA ILE A 48 2.988 8.903 4.656 1.00 63.14 H new ATOM 0 HB ILE A 48 2.142 7.324 2.945 1.00 55.13 H new ATOM 0 HG12 ILE A 48 3.224 9.936 1.773 1.00 5.31 H new ATOM 0 HG13 ILE A 48 4.190 8.652 2.473 1.00 5.31 H new ATOM 0 HG21 ILE A 48 0.776 8.109 1.020 1.00 25.52 H new ATOM 0 HG22 ILE A 48 -0.111 8.204 2.560 1.00 25.52 H new ATOM 0 HG23 ILE A 48 0.562 9.680 1.828 1.00 25.52 H new ATOM 0 HD11 ILE A 48 4.282 8.585 0.030 1.00 14.35 H new ATOM 0 HD12 ILE A 48 3.492 7.122 0.662 1.00 14.35 H new ATOM 0 HD13 ILE A 48 2.512 8.426 -0.049 1.00 14.35 H new ATOM 722 N PHE A 49 0.615 11.133 4.066 1.00 52.11 N ATOM 723 CA PHE A 49 0.265 12.566 3.901 1.00 62.14 C ATOM 724 C PHE A 49 0.816 13.465 5.044 1.00 1.34 C ATOM 725 O PHE A 49 1.041 14.663 4.827 1.00 41.11 O ATOM 726 CB PHE A 49 -1.276 12.718 3.786 1.00 3.22 C ATOM 727 CG PHE A 49 -1.781 14.150 3.597 1.00 71.42 C ATOM 728 CD1 PHE A 49 -1.543 14.835 2.406 1.00 71.42 C ATOM 729 CD2 PHE A 49 -2.480 14.811 4.610 1.00 22.45 C ATOM 730 CE1 PHE A 49 -1.993 16.129 2.228 1.00 2.41 C ATOM 731 CE2 PHE A 49 -2.930 16.105 4.430 1.00 10.01 C ATOM 732 CZ PHE A 49 -2.684 16.765 3.239 1.00 5.30 C ATOM 0 H PHE A 49 -0.198 10.535 4.212 1.00 52.11 H new ATOM 0 HA PHE A 49 0.743 12.910 2.984 1.00 62.14 H new ATOM 0 HB2 PHE A 49 -1.622 12.115 2.947 1.00 3.22 H new ATOM 0 HB3 PHE A 49 -1.733 12.305 4.685 1.00 3.22 H new ATOM 0 HD1 PHE A 49 -0.999 14.347 1.611 1.00 71.42 H new ATOM 0 HD2 PHE A 49 -2.671 14.305 5.545 1.00 22.45 H new ATOM 0 HE1 PHE A 49 -1.804 16.643 1.297 1.00 2.41 H new ATOM 0 HE2 PHE A 49 -3.474 16.602 5.220 1.00 10.01 H new ATOM 0 HZ PHE A 49 -3.033 17.778 3.101 1.00 5.30 H new ATOM 742 N ARG A 50 1.034 12.880 6.242 1.00 5.31 N ATOM 743 CA ARG A 50 1.506 13.631 7.439 1.00 41.31 C ATOM 744 C ARG A 50 2.843 14.375 7.160 1.00 53.45 C ATOM 745 O ARG A 50 2.895 15.612 7.154 1.00 60.42 O ATOM 746 CB ARG A 50 1.668 12.678 8.667 1.00 63.35 C ATOM 747 CG ARG A 50 0.424 11.827 9.005 1.00 22.43 C ATOM 748 CD ARG A 50 -0.836 12.656 9.333 1.00 71.54 C ATOM 749 NE ARG A 50 -2.022 11.786 9.489 1.00 30.53 N ATOM 750 CZ ARG A 50 -3.239 12.176 9.807 1.00 60.43 C ATOM 751 NH1 ARG A 50 -3.526 13.416 10.046 1.00 72.02 N ATOM 752 NH2 ARG A 50 -4.185 11.306 9.883 1.00 73.33 N ATOM 0 H ARG A 50 0.891 11.884 6.412 1.00 5.31 H new ATOM 0 HA ARG A 50 0.746 14.378 7.671 1.00 41.31 H new ATOM 0 HB2 ARG A 50 2.507 12.008 8.479 1.00 63.35 H new ATOM 0 HB3 ARG A 50 1.928 13.277 9.540 1.00 63.35 H new ATOM 0 HG2 ARG A 50 0.205 11.172 8.162 1.00 22.43 H new ATOM 0 HG3 ARG A 50 0.656 11.186 9.856 1.00 22.43 H new ATOM 0 HD2 ARG A 50 -0.674 13.222 10.250 1.00 71.54 H new ATOM 0 HD3 ARG A 50 -1.015 13.381 8.539 1.00 71.54 H new ATOM 0 HE ARG A 50 -1.884 10.787 9.335 1.00 30.53 H new ATOM 0 HH11 ARG A 50 -2.798 14.128 9.991 1.00 72.02 H new ATOM 0 HH12 ARG A 50 -4.480 13.681 10.290 1.00 72.02 H new ATOM 0 HH21 ARG A 50 -3.989 10.322 9.697 1.00 73.33 H new ATOM 0 HH22 ARG A 50 -5.130 11.600 10.129 1.00 73.33 H new ATOM 766 N ASP A 51 3.912 13.599 6.932 1.00 40.14 N ATOM 767 CA ASP A 51 5.274 14.130 6.679 1.00 12.15 C ATOM 768 C ASP A 51 5.539 14.364 5.174 1.00 33.24 C ATOM 769 O ASP A 51 6.090 15.398 4.774 1.00 13.43 O ATOM 770 CB ASP A 51 6.313 13.140 7.251 1.00 1.15 C ATOM 771 CG ASP A 51 6.046 12.821 8.731 1.00 41.31 C ATOM 772 OD1 ASP A 51 6.511 13.580 9.604 1.00 24.12 O ATOM 773 OD2 ASP A 51 5.340 11.831 9.023 1.00 51.11 O ATOM 0 H ASP A 51 3.864 12.580 6.916 1.00 40.14 H new ATOM 0 HA ASP A 51 5.359 15.098 7.173 1.00 12.15 H new ATOM 0 HB2 ASP A 51 6.293 12.217 6.671 1.00 1.15 H new ATOM 0 HB3 ASP A 51 7.313 13.561 7.145 1.00 1.15 H new ATOM 778 N VAL A 52 5.134 13.385 4.349 1.00 33.13 N ATOM 779 CA VAL A 52 5.507 13.311 2.909 1.00 32.41 C ATOM 780 C VAL A 52 4.455 14.007 1.990 1.00 70.01 C ATOM 781 O VAL A 52 4.735 14.290 0.822 1.00 13.32 O ATOM 782 CB VAL A 52 5.722 11.802 2.475 1.00 4.25 C ATOM 783 CG1 VAL A 52 6.358 11.678 1.072 1.00 32.32 C ATOM 784 CG2 VAL A 52 6.565 11.034 3.521 1.00 42.32 C ATOM 0 H VAL A 52 4.537 12.616 4.653 1.00 33.13 H new ATOM 0 HA VAL A 52 6.444 13.853 2.785 1.00 32.41 H new ATOM 0 HB VAL A 52 4.732 11.349 2.424 1.00 4.25 H new ATOM 0 HG11 VAL A 52 6.484 10.625 0.822 1.00 32.32 H new ATOM 0 HG12 VAL A 52 5.709 12.151 0.335 1.00 32.32 H new ATOM 0 HG13 VAL A 52 7.330 12.171 1.068 1.00 32.32 H new ATOM 0 HG21 VAL A 52 6.696 10.002 3.196 1.00 42.32 H new ATOM 0 HG22 VAL A 52 7.541 11.509 3.622 1.00 42.32 H new ATOM 0 HG23 VAL A 52 6.053 11.049 4.483 1.00 42.32 H new ATOM 794 N GLY A 53 3.261 14.332 2.542 1.00 64.52 N ATOM 795 CA GLY A 53 2.144 14.918 1.761 1.00 1.24 C ATOM 796 C GLY A 53 2.293 16.408 1.365 1.00 21.25 C ATOM 797 O GLY A 53 1.294 17.127 1.244 1.00 41.14 O ATOM 0 H GLY A 53 3.046 14.197 3.530 1.00 64.52 H new ATOM 0 HA2 GLY A 53 2.019 14.332 0.850 1.00 1.24 H new ATOM 0 HA3 GLY A 53 1.227 14.807 2.339 1.00 1.24 H new ATOM 801 N ASN A 54 3.547 16.858 1.173 1.00 60.12 N ATOM 802 CA ASN A 54 3.891 18.173 0.575 1.00 64.11 C ATOM 803 C ASN A 54 3.737 18.167 -0.976 1.00 2.04 C ATOM 804 O ASN A 54 3.908 19.206 -1.615 1.00 1.31 O ATOM 805 CB ASN A 54 5.341 18.563 0.991 1.00 74.50 C ATOM 806 CG ASN A 54 6.404 17.482 0.697 1.00 22.10 C ATOM 807 OD1 ASN A 54 6.281 16.678 -0.218 1.00 41.21 O ATOM 808 ND2 ASN A 54 7.458 17.452 1.479 1.00 43.34 N ATOM 0 H ASN A 54 4.369 16.312 1.432 1.00 60.12 H new ATOM 0 HA ASN A 54 3.191 18.918 0.954 1.00 64.11 H new ATOM 0 HB2 ASN A 54 5.620 19.480 0.472 1.00 74.50 H new ATOM 0 HB3 ASN A 54 5.352 18.785 2.058 1.00 74.50 H new ATOM 0 HD21 ASN A 54 8.186 16.754 1.327 1.00 43.34 H new ATOM 0 HD22 ASN A 54 7.549 18.127 2.238 1.00 43.34 H new ATOM 815 N THR A 55 3.447 16.965 -1.543 1.00 15.44 N ATOM 816 CA THR A 55 3.220 16.704 -2.997 1.00 65.33 C ATOM 817 C THR A 55 4.476 16.948 -3.872 1.00 30.20 C ATOM 818 O THR A 55 4.373 17.165 -5.082 1.00 73.45 O ATOM 819 CB THR A 55 1.952 17.441 -3.599 1.00 23.24 C ATOM 820 OG1 THR A 55 2.139 18.868 -3.660 1.00 73.03 O ATOM 821 CG2 THR A 55 0.677 17.113 -2.797 1.00 64.04 C ATOM 0 H THR A 55 3.361 16.118 -0.982 1.00 15.44 H new ATOM 0 HA THR A 55 3.003 15.637 -3.035 1.00 65.33 H new ATOM 0 HB THR A 55 1.830 17.070 -4.617 1.00 23.24 H new ATOM 0 HG1 THR A 55 2.881 19.126 -3.075 1.00 73.03 H new ATOM 0 HG21 THR A 55 -0.173 17.634 -3.236 1.00 64.04 H new ATOM 0 HG22 THR A 55 0.497 16.038 -2.823 1.00 64.04 H new ATOM 0 HG23 THR A 55 0.805 17.434 -1.763 1.00 64.04 H new ATOM 829 N ASP A 56 5.659 16.849 -3.248 1.00 31.22 N ATOM 830 CA ASP A 56 6.966 16.843 -3.951 1.00 31.34 C ATOM 831 C ASP A 56 7.171 15.487 -4.705 1.00 21.22 C ATOM 832 O ASP A 56 6.403 14.536 -4.502 1.00 35.40 O ATOM 833 CB ASP A 56 8.089 17.103 -2.898 1.00 71.21 C ATOM 834 CG ASP A 56 9.519 17.070 -3.465 1.00 74.43 C ATOM 835 OD1 ASP A 56 9.862 17.940 -4.286 1.00 12.55 O ATOM 836 OD2 ASP A 56 10.295 16.155 -3.115 1.00 32.05 O ATOM 0 H ASP A 56 5.744 16.770 -2.235 1.00 31.22 H new ATOM 0 HA ASP A 56 7.000 17.630 -4.705 1.00 31.34 H new ATOM 0 HB2 ASP A 56 7.918 18.075 -2.436 1.00 71.21 H new ATOM 0 HB3 ASP A 56 8.008 16.356 -2.108 1.00 71.21 H new ATOM 841 N MET A 57 8.199 15.416 -5.585 1.00 12.31 N ATOM 842 CA MET A 57 8.590 14.165 -6.299 1.00 53.23 C ATOM 843 C MET A 57 8.882 12.989 -5.326 1.00 45.14 C ATOM 844 O MET A 57 8.753 11.828 -5.709 1.00 75.23 O ATOM 845 CB MET A 57 9.820 14.416 -7.216 1.00 52.04 C ATOM 846 CG MET A 57 11.077 14.924 -6.491 1.00 55.20 C ATOM 847 SD MET A 57 12.537 14.987 -7.557 1.00 2.20 S ATOM 848 CE MET A 57 12.819 13.249 -7.910 1.00 35.44 C ATOM 0 H MET A 57 8.782 16.219 -5.823 1.00 12.31 H new ATOM 0 HA MET A 57 7.736 13.876 -6.912 1.00 53.23 H new ATOM 0 HB2 MET A 57 10.066 13.487 -7.731 1.00 52.04 H new ATOM 0 HB3 MET A 57 9.542 15.141 -7.981 1.00 52.04 H new ATOM 0 HG2 MET A 57 10.882 15.920 -6.094 1.00 55.20 H new ATOM 0 HG3 MET A 57 11.284 14.276 -5.639 1.00 55.20 H new ATOM 0 HE1 MET A 57 13.843 13.110 -8.257 1.00 35.44 H new ATOM 0 HE2 MET A 57 12.660 12.663 -7.005 1.00 35.44 H new ATOM 0 HE3 MET A 57 12.126 12.918 -8.683 1.00 35.44 H new ATOM 858 N LYS A 58 9.282 13.316 -4.077 1.00 54.44 N ATOM 859 CA LYS A 58 9.413 12.329 -2.980 1.00 11.21 C ATOM 860 C LYS A 58 8.087 11.563 -2.763 1.00 62.22 C ATOM 861 O LYS A 58 8.067 10.337 -2.752 1.00 42.34 O ATOM 862 CB LYS A 58 9.820 13.045 -1.658 1.00 43.03 C ATOM 863 CG LYS A 58 9.997 12.105 -0.436 1.00 41.10 C ATOM 864 CD LYS A 58 10.291 12.869 0.880 1.00 35.30 C ATOM 865 CE LYS A 58 10.480 11.929 2.087 1.00 72.42 C ATOM 866 NZ LYS A 58 11.647 11.020 1.925 1.00 43.30 N ATOM 0 H LYS A 58 9.523 14.268 -3.801 1.00 54.44 H new ATOM 0 HA LYS A 58 10.187 11.615 -3.261 1.00 11.21 H new ATOM 0 HB2 LYS A 58 10.754 13.581 -1.825 1.00 43.03 H new ATOM 0 HB3 LYS A 58 9.063 13.791 -1.418 1.00 43.03 H new ATOM 0 HG2 LYS A 58 9.093 11.509 -0.309 1.00 41.10 H new ATOM 0 HG3 LYS A 58 10.812 11.409 -0.635 1.00 41.10 H new ATOM 0 HD2 LYS A 58 11.189 13.473 0.751 1.00 35.30 H new ATOM 0 HD3 LYS A 58 9.471 13.557 1.086 1.00 35.30 H new ATOM 0 HE2 LYS A 58 10.611 12.525 2.990 1.00 72.42 H new ATOM 0 HE3 LYS A 58 9.577 11.334 2.225 1.00 72.42 H new ATOM 0 HZ1 LYS A 58 11.802 10.493 2.808 1.00 43.30 H new ATOM 0 HZ2 LYS A 58 11.461 10.351 1.151 1.00 43.30 H new ATOM 0 HZ3 LYS A 58 12.495 11.580 1.702 1.00 43.30 H new ATOM 880 N TYR A 59 6.991 12.328 -2.632 1.00 33.41 N ATOM 881 CA TYR A 59 5.623 11.796 -2.434 1.00 41.33 C ATOM 882 C TYR A 59 5.125 11.007 -3.664 1.00 44.11 C ATOM 883 O TYR A 59 4.602 9.905 -3.520 1.00 74.23 O ATOM 884 CB TYR A 59 4.674 12.981 -2.100 1.00 32.13 C ATOM 885 CG TYR A 59 3.171 12.639 -2.006 1.00 40.14 C ATOM 886 CD1 TYR A 59 2.669 11.814 -0.993 1.00 1.45 C ATOM 887 CD2 TYR A 59 2.257 13.151 -2.934 1.00 32.11 C ATOM 888 CE1 TYR A 59 1.318 11.518 -0.916 1.00 64.34 C ATOM 889 CE2 TYR A 59 0.916 12.858 -2.858 1.00 53.44 C ATOM 890 CZ TYR A 59 0.447 12.045 -1.851 1.00 43.51 C ATOM 891 OH TYR A 59 -0.894 11.750 -1.799 1.00 2.24 O ATOM 0 H TYR A 59 7.025 13.347 -2.660 1.00 33.41 H new ATOM 0 HA TYR A 59 5.634 11.089 -1.605 1.00 41.33 H new ATOM 0 HB2 TYR A 59 4.988 13.415 -1.151 1.00 32.13 H new ATOM 0 HB3 TYR A 59 4.804 13.750 -2.861 1.00 32.13 H new ATOM 0 HD1 TYR A 59 3.346 11.401 -0.259 1.00 1.45 H new ATOM 0 HD2 TYR A 59 2.613 13.791 -3.728 1.00 32.11 H new ATOM 0 HE1 TYR A 59 0.947 10.878 -0.129 1.00 64.34 H new ATOM 0 HE2 TYR A 59 0.231 13.265 -3.587 1.00 53.44 H new ATOM 0 HH TYR A 59 -1.141 11.512 -0.881 1.00 2.24 H new ATOM 901 N LYS A 60 5.325 11.584 -4.861 1.00 13.43 N ATOM 902 CA LYS A 60 4.856 10.996 -6.142 1.00 51.01 C ATOM 903 C LYS A 60 5.492 9.611 -6.404 1.00 24.43 C ATOM 904 O LYS A 60 4.790 8.627 -6.658 1.00 14.50 O ATOM 905 CB LYS A 60 5.177 11.961 -7.321 1.00 4.24 C ATOM 906 CG LYS A 60 4.640 13.398 -7.141 1.00 60.31 C ATOM 907 CD LYS A 60 3.106 13.451 -6.945 1.00 74.31 C ATOM 908 CE LYS A 60 2.590 14.882 -6.741 1.00 24.41 C ATOM 909 NZ LYS A 60 2.903 15.771 -7.892 1.00 43.15 N ATOM 0 H LYS A 60 5.815 12.471 -4.975 1.00 13.43 H new ATOM 0 HA LYS A 60 3.777 10.857 -6.068 1.00 51.01 H new ATOM 0 HB2 LYS A 60 6.258 12.005 -7.453 1.00 4.24 H new ATOM 0 HB3 LYS A 60 4.761 11.544 -8.238 1.00 4.24 H new ATOM 0 HG2 LYS A 60 5.127 13.856 -6.280 1.00 60.31 H new ATOM 0 HG3 LYS A 60 4.910 13.993 -8.014 1.00 60.31 H new ATOM 0 HD2 LYS A 60 2.616 13.012 -7.814 1.00 74.31 H new ATOM 0 HD3 LYS A 60 2.832 12.843 -6.083 1.00 74.31 H new ATOM 0 HE2 LYS A 60 1.511 14.857 -6.588 1.00 24.41 H new ATOM 0 HE3 LYS A 60 3.031 15.298 -5.835 1.00 24.41 H new ATOM 0 HZ1 LYS A 60 2.419 16.683 -7.768 1.00 43.15 H new ATOM 0 HZ2 LYS A 60 3.930 15.927 -7.941 1.00 43.15 H new ATOM 0 HZ3 LYS A 60 2.579 15.325 -8.774 1.00 43.15 H new ATOM 923 N ASN A 61 6.830 9.560 -6.305 1.00 11.32 N ATOM 924 CA ASN A 61 7.618 8.329 -6.535 1.00 74.31 C ATOM 925 C ASN A 61 7.466 7.322 -5.372 1.00 23.33 C ATOM 926 O ASN A 61 7.634 6.124 -5.584 1.00 3.54 O ATOM 927 CB ASN A 61 9.121 8.672 -6.732 1.00 34.24 C ATOM 928 CG ASN A 61 9.381 9.651 -7.885 1.00 54.03 C ATOM 929 OD1 ASN A 61 8.644 9.699 -8.853 1.00 11.32 O ATOM 930 ND2 ASN A 61 10.435 10.443 -7.788 1.00 73.14 N ATOM 0 H ASN A 61 7.401 10.370 -6.063 1.00 11.32 H new ATOM 0 HA ASN A 61 7.228 7.864 -7.440 1.00 74.31 H new ATOM 0 HB2 ASN A 61 9.512 9.099 -5.808 1.00 34.24 H new ATOM 0 HB3 ASN A 61 9.674 7.751 -6.916 1.00 34.24 H new ATOM 0 HD21 ASN A 61 10.643 11.109 -8.532 1.00 73.14 H new ATOM 0 HD22 ASN A 61 11.041 10.388 -6.969 1.00 73.14 H new ATOM 937 N ARG A 62 7.182 7.818 -4.142 1.00 11.33 N ATOM 938 CA ARG A 62 6.941 6.935 -2.965 1.00 11.12 C ATOM 939 C ARG A 62 5.623 6.156 -3.138 1.00 21.44 C ATOM 940 O ARG A 62 5.577 4.957 -2.869 1.00 43.43 O ATOM 941 CB ARG A 62 6.909 7.722 -1.617 1.00 70.51 C ATOM 942 CG ARG A 62 6.795 6.829 -0.337 1.00 0.31 C ATOM 943 CD ARG A 62 8.153 6.331 0.234 1.00 71.42 C ATOM 944 NE ARG A 62 9.095 5.839 -0.796 1.00 44.11 N ATOM 945 CZ ARG A 62 9.248 4.592 -1.198 1.00 64.30 C ATOM 946 NH1 ARG A 62 8.478 3.633 -0.776 1.00 5.24 N ATOM 947 NH2 ARG A 62 10.163 4.327 -2.071 1.00 4.34 N ATOM 0 H ARG A 62 7.114 8.815 -3.936 1.00 11.33 H new ATOM 0 HA ARG A 62 7.780 6.241 -2.920 1.00 11.12 H new ATOM 0 HB2 ARG A 62 7.814 8.324 -1.543 1.00 70.51 H new ATOM 0 HB3 ARG A 62 6.067 8.414 -1.636 1.00 70.51 H new ATOM 0 HG2 ARG A 62 6.276 7.394 0.438 1.00 0.31 H new ATOM 0 HG3 ARG A 62 6.175 5.963 -0.569 1.00 0.31 H new ATOM 0 HD2 ARG A 62 8.625 7.145 0.784 1.00 71.42 H new ATOM 0 HD3 ARG A 62 7.963 5.531 0.950 1.00 71.42 H new ATOM 0 HE ARG A 62 9.689 6.538 -1.242 1.00 44.11 H new ATOM 0 HH11 ARG A 62 7.729 3.835 -0.114 1.00 5.24 H new ATOM 0 HH12 ARG A 62 8.623 2.679 -1.107 1.00 5.24 H new ATOM 0 HH21 ARG A 62 10.751 5.076 -2.437 1.00 4.34 H new ATOM 0 HH22 ARG A 62 10.297 3.369 -2.395 1.00 4.34 H new ATOM 961 N VAL A 63 4.561 6.865 -3.580 1.00 74.12 N ATOM 962 CA VAL A 63 3.248 6.252 -3.905 1.00 64.43 C ATOM 963 C VAL A 63 3.409 5.190 -5.018 1.00 54.13 C ATOM 964 O VAL A 63 2.937 4.065 -4.871 1.00 23.21 O ATOM 965 CB VAL A 63 2.186 7.343 -4.336 1.00 72.55 C ATOM 966 CG1 VAL A 63 0.878 6.701 -4.881 1.00 60.25 C ATOM 967 CG2 VAL A 63 1.875 8.303 -3.160 1.00 61.45 C ATOM 0 H VAL A 63 4.586 7.875 -3.722 1.00 74.12 H new ATOM 0 HA VAL A 63 2.878 5.767 -3.002 1.00 64.43 H new ATOM 0 HB VAL A 63 2.628 7.919 -5.149 1.00 72.55 H new ATOM 0 HG11 VAL A 63 0.178 7.487 -5.165 1.00 60.25 H new ATOM 0 HG12 VAL A 63 1.109 6.089 -5.753 1.00 60.25 H new ATOM 0 HG13 VAL A 63 0.429 6.077 -4.108 1.00 60.25 H new ATOM 0 HG21 VAL A 63 1.143 9.044 -3.479 1.00 61.45 H new ATOM 0 HG22 VAL A 63 1.473 7.734 -2.322 1.00 61.45 H new ATOM 0 HG23 VAL A 63 2.790 8.807 -2.850 1.00 61.45 H new ATOM 977 N ARG A 64 4.113 5.562 -6.111 1.00 11.41 N ATOM 978 CA ARG A 64 4.404 4.642 -7.238 1.00 3.11 C ATOM 979 C ARG A 64 5.272 3.438 -6.797 1.00 35.24 C ATOM 980 O ARG A 64 5.104 2.327 -7.304 1.00 52.25 O ATOM 981 CB ARG A 64 5.073 5.411 -8.409 1.00 3.00 C ATOM 982 CG ARG A 64 4.151 6.466 -9.054 1.00 63.40 C ATOM 983 CD ARG A 64 4.669 7.016 -10.402 1.00 63.14 C ATOM 984 NE ARG A 64 5.703 8.060 -10.261 1.00 33.33 N ATOM 985 CZ ARG A 64 5.527 9.332 -10.551 1.00 42.51 C ATOM 986 NH1 ARG A 64 4.349 9.806 -10.834 1.00 12.30 N ATOM 987 NH2 ARG A 64 6.529 10.134 -10.540 1.00 21.02 N ATOM 0 H ARG A 64 4.493 6.500 -6.238 1.00 11.41 H new ATOM 0 HA ARG A 64 3.453 4.238 -7.585 1.00 3.11 H new ATOM 0 HB2 ARG A 64 5.975 5.902 -8.043 1.00 3.00 H new ATOM 0 HB3 ARG A 64 5.385 4.697 -9.171 1.00 3.00 H new ATOM 0 HG2 ARG A 64 3.165 6.026 -9.208 1.00 63.40 H new ATOM 0 HG3 ARG A 64 4.025 7.296 -8.359 1.00 63.40 H new ATOM 0 HD2 ARG A 64 5.076 6.192 -10.988 1.00 63.14 H new ATOM 0 HD3 ARG A 64 3.829 7.423 -10.965 1.00 63.14 H new ATOM 0 HE ARG A 64 6.619 7.776 -9.914 1.00 33.33 H new ATOM 0 HH11 ARG A 64 3.537 9.188 -10.834 1.00 12.30 H new ATOM 0 HH12 ARG A 64 4.237 10.795 -11.056 1.00 12.30 H new ATOM 0 HH21 ARG A 64 7.459 9.785 -10.307 1.00 21.02 H new ATOM 0 HH22 ARG A 64 6.396 11.120 -10.764 1.00 21.02 H new ATOM 1001 N SER A 65 6.183 3.676 -5.838 1.00 51.42 N ATOM 1002 CA SER A 65 7.028 2.616 -5.238 1.00 41.42 C ATOM 1003 C SER A 65 6.172 1.615 -4.442 1.00 45.44 C ATOM 1004 O SER A 65 6.387 0.411 -4.551 1.00 3.15 O ATOM 1005 CB SER A 65 8.108 3.221 -4.324 1.00 1.20 C ATOM 1006 OG SER A 65 8.892 2.221 -3.678 1.00 30.51 O ATOM 0 H SER A 65 6.358 4.605 -5.454 1.00 51.42 H new ATOM 0 HA SER A 65 7.519 2.087 -6.055 1.00 41.42 H new ATOM 0 HB2 SER A 65 8.760 3.866 -4.913 1.00 1.20 H new ATOM 0 HB3 SER A 65 7.633 3.850 -3.571 1.00 1.20 H new ATOM 0 HG SER A 65 9.798 2.224 -4.052 1.00 30.51 H new ATOM 1012 N ARG A 66 5.186 2.136 -3.659 1.00 34.31 N ATOM 1013 CA ARG A 66 4.216 1.296 -2.911 1.00 51.11 C ATOM 1014 C ARG A 66 3.511 0.331 -3.882 1.00 31.44 C ATOM 1015 O ARG A 66 3.611 -0.874 -3.723 1.00 12.50 O ATOM 1016 CB ARG A 66 3.147 2.163 -2.163 1.00 21.12 C ATOM 1017 CG ARG A 66 3.695 3.115 -1.079 1.00 32.41 C ATOM 1018 CD ARG A 66 4.460 2.383 0.038 1.00 23.03 C ATOM 1019 NE ARG A 66 4.936 3.310 1.087 1.00 41.20 N ATOM 1020 CZ ARG A 66 5.975 3.101 1.873 1.00 52.14 C ATOM 1021 NH1 ARG A 66 6.740 2.074 1.710 1.00 42.13 N ATOM 1022 NH2 ARG A 66 6.252 3.931 2.820 1.00 33.40 N ATOM 0 H ARG A 66 5.045 3.138 -3.532 1.00 34.31 H new ATOM 0 HA ARG A 66 4.772 0.734 -2.161 1.00 51.11 H new ATOM 0 HB2 ARG A 66 2.606 2.756 -2.901 1.00 21.12 H new ATOM 0 HB3 ARG A 66 2.423 1.493 -1.699 1.00 21.12 H new ATOM 0 HG2 ARG A 66 4.356 3.845 -1.546 1.00 32.41 H new ATOM 0 HG3 ARG A 66 2.867 3.671 -0.640 1.00 32.41 H new ATOM 0 HD2 ARG A 66 3.812 1.630 0.487 1.00 23.03 H new ATOM 0 HD3 ARG A 66 5.311 1.855 -0.392 1.00 23.03 H new ATOM 0 HE ARG A 66 4.420 4.181 1.213 1.00 41.20 H new ATOM 0 HH11 ARG A 66 6.546 1.407 0.963 1.00 42.13 H new ATOM 0 HH12 ARG A 66 7.539 1.930 2.328 1.00 42.13 H new ATOM 0 HH21 ARG A 66 5.667 4.754 2.964 1.00 33.40 H new ATOM 0 HH22 ARG A 66 7.056 3.765 3.425 1.00 33.40 H new ATOM 1036 N ILE A 67 2.898 0.915 -4.933 1.00 71.31 N ATOM 1037 CA ILE A 67 2.156 0.179 -5.996 1.00 43.25 C ATOM 1038 C ILE A 67 3.017 -0.956 -6.618 1.00 11.21 C ATOM 1039 O ILE A 67 2.550 -2.089 -6.771 1.00 43.11 O ATOM 1040 CB ILE A 67 1.709 1.178 -7.134 1.00 34.04 C ATOM 1041 CG1 ILE A 67 0.856 2.349 -6.542 1.00 60.33 C ATOM 1042 CG2 ILE A 67 0.940 0.457 -8.276 1.00 35.43 C ATOM 1043 CD1 ILE A 67 0.685 3.531 -7.477 1.00 63.32 C ATOM 0 H ILE A 67 2.901 1.925 -5.075 1.00 71.31 H new ATOM 0 HA ILE A 67 1.280 -0.273 -5.531 1.00 43.25 H new ATOM 0 HB ILE A 67 2.616 1.596 -7.571 1.00 34.04 H new ATOM 0 HG12 ILE A 67 -0.129 1.966 -6.275 1.00 60.33 H new ATOM 0 HG13 ILE A 67 1.324 2.694 -5.620 1.00 60.33 H new ATOM 0 HG21 ILE A 67 0.652 1.183 -9.036 1.00 35.43 H new ATOM 0 HG22 ILE A 67 1.581 -0.302 -8.724 1.00 35.43 H new ATOM 0 HG23 ILE A 67 0.046 -0.017 -7.870 1.00 35.43 H new ATOM 0 HD11 ILE A 67 0.082 4.297 -6.989 1.00 63.32 H new ATOM 0 HD12 ILE A 67 1.663 3.943 -7.725 1.00 63.32 H new ATOM 0 HD13 ILE A 67 0.187 3.204 -8.390 1.00 63.32 H new ATOM 1055 N SER A 68 4.286 -0.621 -6.938 1.00 70.14 N ATOM 1056 CA SER A 68 5.265 -1.561 -7.539 1.00 14.33 C ATOM 1057 C SER A 68 5.559 -2.765 -6.606 1.00 2.40 C ATOM 1058 O SER A 68 5.601 -3.911 -7.061 1.00 24.41 O ATOM 1059 CB SER A 68 6.580 -0.808 -7.882 1.00 45.34 C ATOM 1060 OG SER A 68 7.533 -1.658 -8.509 1.00 0.21 O ATOM 0 H SER A 68 4.665 0.314 -6.787 1.00 70.14 H new ATOM 0 HA SER A 68 4.827 -1.959 -8.454 1.00 14.33 H new ATOM 0 HB2 SER A 68 6.356 0.032 -8.539 1.00 45.34 H new ATOM 0 HB3 SER A 68 7.009 -0.393 -6.970 1.00 45.34 H new ATOM 0 HG SER A 68 8.345 -1.147 -8.710 1.00 0.21 H new ATOM 1066 N ASN A 69 5.720 -2.488 -5.294 1.00 32.12 N ATOM 1067 CA ASN A 69 6.002 -3.529 -4.268 1.00 33.24 C ATOM 1068 C ASN A 69 4.751 -4.400 -3.979 1.00 1.40 C ATOM 1069 O ASN A 69 4.866 -5.594 -3.687 1.00 4.30 O ATOM 1070 CB ASN A 69 6.478 -2.879 -2.943 1.00 63.53 C ATOM 1071 CG ASN A 69 7.658 -1.910 -3.071 1.00 40.00 C ATOM 1072 OD1 ASN A 69 7.763 -0.946 -2.318 1.00 43.03 O ATOM 1073 ND2 ASN A 69 8.561 -2.150 -3.993 1.00 51.10 N ATOM 0 H ASN A 69 5.660 -1.544 -4.913 1.00 32.12 H new ATOM 0 HA ASN A 69 6.790 -4.166 -4.670 1.00 33.24 H new ATOM 0 HB2 ASN A 69 5.638 -2.345 -2.498 1.00 63.53 H new ATOM 0 HB3 ASN A 69 6.755 -3.672 -2.248 1.00 63.53 H new ATOM 0 HD21 ASN A 69 9.366 -1.531 -4.092 1.00 51.10 H new ATOM 0 HD22 ASN A 69 8.458 -2.956 -4.610 1.00 51.10 H new ATOM 1080 N LEU A 70 3.564 -3.765 -4.045 1.00 33.31 N ATOM 1081 CA LEU A 70 2.265 -4.430 -3.801 1.00 53.22 C ATOM 1082 C LEU A 70 1.987 -5.523 -4.865 1.00 63.42 C ATOM 1083 O LEU A 70 1.519 -6.616 -4.536 1.00 51.34 O ATOM 1084 CB LEU A 70 1.112 -3.373 -3.765 1.00 3.10 C ATOM 1085 CG LEU A 70 1.164 -2.322 -2.594 1.00 23.30 C ATOM 1086 CD1 LEU A 70 0.063 -1.244 -2.722 1.00 31.22 C ATOM 1087 CD2 LEU A 70 1.108 -2.990 -1.209 1.00 33.52 C ATOM 0 H LEU A 70 3.477 -2.774 -4.270 1.00 33.31 H new ATOM 0 HA LEU A 70 2.310 -4.923 -2.830 1.00 53.22 H new ATOM 0 HB2 LEU A 70 1.115 -2.831 -4.711 1.00 3.10 H new ATOM 0 HB3 LEU A 70 0.162 -3.905 -3.705 1.00 3.10 H new ATOM 0 HG LEU A 70 2.129 -1.823 -2.685 1.00 23.30 H new ATOM 0 HD11 LEU A 70 0.141 -0.543 -1.891 1.00 31.22 H new ATOM 0 HD12 LEU A 70 0.187 -0.707 -3.662 1.00 31.22 H new ATOM 0 HD13 LEU A 70 -0.917 -1.721 -2.703 1.00 31.22 H new ATOM 0 HD21 LEU A 70 1.147 -2.225 -0.434 1.00 33.52 H new ATOM 0 HD22 LEU A 70 0.181 -3.555 -1.115 1.00 33.52 H new ATOM 0 HD23 LEU A 70 1.957 -3.664 -1.096 1.00 33.52 H new ATOM 1099 N LYS A 71 2.312 -5.217 -6.137 1.00 0.52 N ATOM 1100 CA LYS A 71 2.105 -6.145 -7.286 1.00 20.51 C ATOM 1101 C LYS A 71 3.426 -6.849 -7.725 1.00 63.22 C ATOM 1102 O LYS A 71 3.473 -7.460 -8.801 1.00 61.40 O ATOM 1103 CB LYS A 71 1.493 -5.365 -8.489 1.00 50.10 C ATOM 1104 CG LYS A 71 2.442 -4.310 -9.119 1.00 23.04 C ATOM 1105 CD LYS A 71 1.865 -3.651 -10.393 1.00 53.43 C ATOM 1106 CE LYS A 71 0.565 -2.878 -10.138 1.00 33.24 C ATOM 1107 NZ LYS A 71 0.080 -2.208 -11.372 1.00 4.22 N ATOM 0 H LYS A 71 2.725 -4.324 -6.405 1.00 0.52 H new ATOM 0 HA LYS A 71 1.417 -6.924 -6.958 1.00 20.51 H new ATOM 0 HB2 LYS A 71 1.201 -6.079 -9.259 1.00 50.10 H new ATOM 0 HB3 LYS A 71 0.583 -4.865 -8.157 1.00 50.10 H new ATOM 0 HG2 LYS A 71 2.653 -3.536 -8.382 1.00 23.04 H new ATOM 0 HG3 LYS A 71 3.392 -4.786 -9.363 1.00 23.04 H new ATOM 0 HD2 LYS A 71 2.608 -2.972 -10.811 1.00 53.43 H new ATOM 0 HD3 LYS A 71 1.681 -4.422 -11.141 1.00 53.43 H new ATOM 0 HE2 LYS A 71 -0.200 -3.561 -9.769 1.00 33.24 H new ATOM 0 HE3 LYS A 71 0.730 -2.134 -9.359 1.00 33.24 H new ATOM 0 HZ1 LYS A 71 -0.800 -1.694 -11.165 1.00 4.22 H new ATOM 0 HZ2 LYS A 71 0.800 -1.538 -11.709 1.00 4.22 H new ATOM 0 HZ3 LYS A 71 -0.100 -2.922 -12.107 1.00 4.22 H new ATOM 1121 N ASP A 72 4.475 -6.778 -6.883 1.00 10.01 N ATOM 1122 CA ASP A 72 5.826 -7.299 -7.218 1.00 3.24 C ATOM 1123 C ASP A 72 5.836 -8.842 -7.395 1.00 73.54 C ATOM 1124 O ASP A 72 5.114 -9.557 -6.710 1.00 30.32 O ATOM 1125 CB ASP A 72 6.827 -6.863 -6.117 1.00 34.20 C ATOM 1126 CG ASP A 72 8.266 -7.332 -6.374 1.00 51.12 C ATOM 1127 OD1 ASP A 72 8.885 -6.881 -7.360 1.00 24.01 O ATOM 1128 OD2 ASP A 72 8.788 -8.155 -5.602 1.00 50.20 O ATOM 0 H ASP A 72 4.416 -6.361 -5.954 1.00 10.01 H new ATOM 0 HA ASP A 72 6.126 -6.877 -8.177 1.00 3.24 H new ATOM 0 HB2 ASP A 72 6.817 -5.776 -6.038 1.00 34.20 H new ATOM 0 HB3 ASP A 72 6.492 -7.255 -5.157 1.00 34.20 H new ATOM 1133 N ALA A 73 6.674 -9.331 -8.329 1.00 41.41 N ATOM 1134 CA ALA A 73 6.793 -10.773 -8.645 1.00 74.32 C ATOM 1135 C ALA A 73 7.380 -11.590 -7.464 1.00 2.42 C ATOM 1136 O ALA A 73 6.991 -12.741 -7.234 1.00 11.02 O ATOM 1137 CB ALA A 73 7.645 -10.960 -9.910 1.00 64.34 C ATOM 0 H ALA A 73 7.289 -8.740 -8.888 1.00 41.41 H new ATOM 0 HA ALA A 73 5.788 -11.156 -8.823 1.00 74.32 H new ATOM 0 HB1 ALA A 73 7.729 -12.023 -10.138 1.00 64.34 H new ATOM 0 HB2 ALA A 73 7.172 -10.446 -10.747 1.00 64.34 H new ATOM 0 HB3 ALA A 73 8.639 -10.544 -9.744 1.00 64.34 H new ATOM 1143 N LYS A 74 8.317 -10.971 -6.715 1.00 14.10 N ATOM 1144 CA LYS A 74 9.006 -11.618 -5.572 1.00 62.40 C ATOM 1145 C LYS A 74 8.287 -11.316 -4.231 1.00 15.14 C ATOM 1146 O LYS A 74 8.618 -11.925 -3.216 1.00 63.15 O ATOM 1147 CB LYS A 74 10.503 -11.179 -5.490 1.00 3.05 C ATOM 1148 CG LYS A 74 11.377 -11.532 -6.730 1.00 44.02 C ATOM 1149 CD LYS A 74 11.175 -10.598 -7.962 1.00 42.53 C ATOM 1150 CE LYS A 74 11.897 -9.233 -7.844 1.00 32.34 C ATOM 1151 NZ LYS A 74 11.407 -8.384 -6.731 1.00 33.21 N ATOM 0 H LYS A 74 8.618 -10.011 -6.883 1.00 14.10 H new ATOM 0 HA LYS A 74 8.970 -12.694 -5.745 1.00 62.40 H new ATOM 0 HB2 LYS A 74 10.539 -10.100 -5.338 1.00 3.05 H new ATOM 0 HB3 LYS A 74 10.950 -11.640 -4.609 1.00 3.05 H new ATOM 0 HG2 LYS A 74 12.427 -11.501 -6.437 1.00 44.02 H new ATOM 0 HG3 LYS A 74 11.159 -12.557 -7.030 1.00 44.02 H new ATOM 0 HD2 LYS A 74 11.532 -11.110 -8.855 1.00 42.53 H new ATOM 0 HD3 LYS A 74 10.108 -10.422 -8.100 1.00 42.53 H new ATOM 0 HE2 LYS A 74 12.964 -9.409 -7.710 1.00 32.34 H new ATOM 0 HE3 LYS A 74 11.779 -8.689 -8.781 1.00 32.34 H new ATOM 0 HZ1 LYS A 74 11.566 -7.383 -6.962 1.00 33.21 H new ATOM 0 HZ2 LYS A 74 10.390 -8.550 -6.590 1.00 33.21 H new ATOM 0 HZ3 LYS A 74 11.921 -8.624 -5.859 1.00 33.21 H new ATOM 1165 N ASN A 75 7.327 -10.353 -4.237 1.00 54.21 N ATOM 1166 CA ASN A 75 6.471 -10.012 -3.060 1.00 71.51 C ATOM 1167 C ASN A 75 4.983 -9.736 -3.501 1.00 20.20 C ATOM 1168 O ASN A 75 4.463 -8.630 -3.286 1.00 61.44 O ATOM 1169 CB ASN A 75 7.056 -8.775 -2.298 1.00 41.44 C ATOM 1170 CG ASN A 75 8.427 -9.027 -1.666 1.00 25.44 C ATOM 1171 OD1 ASN A 75 9.463 -8.837 -2.293 1.00 31.20 O ATOM 1172 ND2 ASN A 75 8.450 -9.458 -0.419 1.00 12.40 N ATOM 0 H ASN A 75 7.121 -9.787 -5.060 1.00 54.21 H new ATOM 0 HA ASN A 75 6.468 -10.868 -2.385 1.00 71.51 H new ATOM 0 HB2 ASN A 75 7.135 -7.938 -2.991 1.00 41.44 H new ATOM 0 HB3 ASN A 75 6.356 -8.477 -1.517 1.00 41.44 H new ATOM 0 HD21 ASN A 75 9.342 -9.640 0.041 1.00 12.40 H new ATOM 0 HD22 ASN A 75 7.576 -9.609 0.084 1.00 12.40 H new ATOM 1179 N PRO A 76 4.261 -10.741 -4.121 1.00 42.25 N ATOM 1180 CA PRO A 76 2.859 -10.538 -4.614 1.00 43.23 C ATOM 1181 C PRO A 76 1.799 -10.532 -3.477 1.00 21.32 C ATOM 1182 O PRO A 76 0.790 -9.819 -3.544 1.00 21.20 O ATOM 1183 CB PRO A 76 2.666 -11.736 -5.578 1.00 13.43 C ATOM 1184 CG PRO A 76 3.538 -12.826 -5.016 1.00 24.22 C ATOM 1185 CD PRO A 76 4.739 -12.132 -4.400 1.00 51.34 C ATOM 0 HA PRO A 76 2.721 -9.565 -5.085 1.00 43.23 H new ATOM 0 HB2 PRO A 76 1.622 -12.046 -5.619 1.00 13.43 H new ATOM 0 HB3 PRO A 76 2.962 -11.477 -6.595 1.00 13.43 H new ATOM 0 HG2 PRO A 76 3.000 -13.409 -4.269 1.00 24.22 H new ATOM 0 HG3 PRO A 76 3.848 -13.519 -5.798 1.00 24.22 H new ATOM 0 HD2 PRO A 76 5.062 -12.632 -3.487 1.00 51.34 H new ATOM 0 HD3 PRO A 76 5.590 -12.131 -5.081 1.00 51.34 H new ATOM 1193 N ASP A 77 2.065 -11.329 -2.435 1.00 33.31 N ATOM 1194 CA ASP A 77 1.209 -11.450 -1.235 1.00 61.00 C ATOM 1195 C ASP A 77 1.291 -10.213 -0.317 1.00 25.13 C ATOM 1196 O ASP A 77 0.451 -10.066 0.554 1.00 42.41 O ATOM 1197 CB ASP A 77 1.589 -12.727 -0.443 1.00 52.30 C ATOM 1198 CG ASP A 77 3.082 -12.766 -0.071 1.00 45.33 C ATOM 1199 OD1 ASP A 77 3.898 -13.092 -0.954 1.00 32.45 O ATOM 1200 OD2 ASP A 77 3.444 -12.440 1.082 1.00 10.31 O ATOM 0 H ASP A 77 2.895 -11.921 -2.396 1.00 33.31 H new ATOM 0 HA ASP A 77 0.178 -11.520 -1.581 1.00 61.00 H new ATOM 0 HB2 ASP A 77 0.990 -12.779 0.466 1.00 52.30 H new ATOM 0 HB3 ASP A 77 1.343 -13.607 -1.038 1.00 52.30 H new ATOM 1205 N LEU A 78 2.305 -9.343 -0.520 1.00 42.22 N ATOM 1206 CA LEU A 78 2.583 -8.168 0.356 1.00 0.24 C ATOM 1207 C LEU A 78 1.328 -7.262 0.567 1.00 14.54 C ATOM 1208 O LEU A 78 1.008 -6.880 1.700 1.00 64.13 O ATOM 1209 CB LEU A 78 3.746 -7.340 -0.252 1.00 30.01 C ATOM 1210 CG LEU A 78 4.232 -6.103 0.576 1.00 13.42 C ATOM 1211 CD1 LEU A 78 4.770 -6.524 1.971 1.00 50.43 C ATOM 1212 CD2 LEU A 78 5.285 -5.291 -0.212 1.00 52.43 C ATOM 0 H LEU A 78 2.960 -9.431 -1.297 1.00 42.22 H new ATOM 0 HA LEU A 78 2.863 -8.547 1.339 1.00 0.24 H new ATOM 0 HB2 LEU A 78 4.596 -8.005 -0.402 1.00 30.01 H new ATOM 0 HB3 LEU A 78 3.437 -6.991 -1.237 1.00 30.01 H new ATOM 0 HG LEU A 78 3.369 -5.459 0.745 1.00 13.42 H new ATOM 0 HD11 LEU A 78 5.098 -5.639 2.517 1.00 50.43 H new ATOM 0 HD12 LEU A 78 3.979 -7.023 2.531 1.00 50.43 H new ATOM 0 HD13 LEU A 78 5.611 -7.206 1.846 1.00 50.43 H new ATOM 0 HD21 LEU A 78 5.607 -4.437 0.384 1.00 52.43 H new ATOM 0 HD22 LEU A 78 6.144 -5.925 -0.431 1.00 52.43 H new ATOM 0 HD23 LEU A 78 4.848 -4.937 -1.146 1.00 52.43 H new ATOM 1224 N ARG A 79 0.623 -6.948 -0.539 1.00 63.33 N ATOM 1225 CA ARG A 79 -0.666 -6.206 -0.504 1.00 11.31 C ATOM 1226 C ARG A 79 -1.790 -7.042 0.147 1.00 45.21 C ATOM 1227 O ARG A 79 -2.632 -6.520 0.879 1.00 54.11 O ATOM 1228 CB ARG A 79 -1.090 -5.812 -1.947 1.00 35.23 C ATOM 1229 CG ARG A 79 -1.394 -7.007 -2.872 1.00 33.01 C ATOM 1230 CD ARG A 79 -1.826 -6.597 -4.278 1.00 51.12 C ATOM 1231 NE ARG A 79 -2.292 -7.751 -5.042 1.00 51.22 N ATOM 1232 CZ ARG A 79 -1.544 -8.570 -5.743 1.00 14.03 C ATOM 1233 NH1 ARG A 79 -0.271 -8.384 -5.879 1.00 2.34 N ATOM 1234 NH2 ARG A 79 -2.092 -9.584 -6.306 1.00 41.41 N ATOM 0 H ARG A 79 0.925 -7.198 -1.481 1.00 63.33 H new ATOM 0 HA ARG A 79 -0.514 -5.311 0.099 1.00 11.31 H new ATOM 0 HB2 ARG A 79 -1.974 -5.177 -1.892 1.00 35.23 H new ATOM 0 HB3 ARG A 79 -0.296 -5.214 -2.395 1.00 35.23 H new ATOM 0 HG2 ARG A 79 -0.507 -7.636 -2.943 1.00 33.01 H new ATOM 0 HG3 ARG A 79 -2.180 -7.614 -2.422 1.00 33.01 H new ATOM 0 HD2 ARG A 79 -2.621 -5.853 -4.215 1.00 51.12 H new ATOM 0 HD3 ARG A 79 -0.990 -6.127 -4.796 1.00 51.12 H new ATOM 0 HE ARG A 79 -3.295 -7.938 -5.030 1.00 51.22 H new ATOM 0 HH11 ARG A 79 0.178 -7.583 -5.435 1.00 2.34 H new ATOM 0 HH12 ARG A 79 0.284 -9.038 -6.430 1.00 2.34 H new ATOM 0 HH21 ARG A 79 -3.094 -9.743 -6.205 1.00 41.41 H new ATOM 0 HH22 ARG A 79 -1.525 -10.231 -6.855 1.00 41.41 H new ATOM 1248 N ARG A 80 -1.765 -8.353 -0.138 1.00 62.11 N ATOM 1249 CA ARG A 80 -2.816 -9.309 0.238 1.00 34.24 C ATOM 1250 C ARG A 80 -2.802 -9.588 1.762 1.00 4.22 C ATOM 1251 O ARG A 80 -3.827 -9.925 2.336 1.00 22.24 O ATOM 1252 CB ARG A 80 -2.653 -10.601 -0.604 1.00 22.55 C ATOM 1253 CG ARG A 80 -3.843 -11.577 -0.522 1.00 21.21 C ATOM 1254 CD ARG A 80 -3.720 -12.758 -1.496 1.00 12.34 C ATOM 1255 NE ARG A 80 -4.918 -13.612 -1.465 1.00 24.01 N ATOM 1256 CZ ARG A 80 -5.672 -13.921 -2.497 1.00 3.44 C ATOM 1257 NH1 ARG A 80 -5.464 -13.410 -3.671 1.00 30.35 N ATOM 1258 NH2 ARG A 80 -6.664 -14.728 -2.339 1.00 21.24 N ATOM 0 H ARG A 80 -0.996 -8.787 -0.648 1.00 62.11 H new ATOM 0 HA ARG A 80 -3.794 -8.881 0.020 1.00 34.24 H new ATOM 0 HB2 ARG A 80 -2.500 -10.322 -1.647 1.00 22.55 H new ATOM 0 HB3 ARG A 80 -1.752 -11.120 -0.278 1.00 22.55 H new ATOM 0 HG2 ARG A 80 -3.922 -11.959 0.496 1.00 21.21 H new ATOM 0 HG3 ARG A 80 -4.765 -11.035 -0.732 1.00 21.21 H new ATOM 0 HD2 ARG A 80 -3.567 -12.382 -2.507 1.00 12.34 H new ATOM 0 HD3 ARG A 80 -2.842 -13.352 -1.240 1.00 12.34 H new ATOM 0 HE ARG A 80 -5.188 -13.999 -0.561 1.00 24.01 H new ATOM 0 HH11 ARG A 80 -4.699 -12.750 -3.812 1.00 30.35 H new ATOM 0 HH12 ARG A 80 -6.065 -13.668 -4.453 1.00 30.35 H new ATOM 0 HH21 ARG A 80 -6.859 -15.122 -1.419 1.00 21.24 H new ATOM 0 HH22 ARG A 80 -7.254 -14.973 -3.134 1.00 21.24 H new ATOM 1272 N ASN A 81 -1.615 -9.449 2.384 1.00 1.42 N ATOM 1273 CA ASN A 81 -1.435 -9.552 3.852 1.00 50.22 C ATOM 1274 C ASN A 81 -2.121 -8.368 4.575 1.00 51.21 C ATOM 1275 O ASN A 81 -2.655 -8.525 5.675 1.00 73.12 O ATOM 1276 CB ASN A 81 0.079 -9.598 4.204 1.00 64.54 C ATOM 1277 CG ASN A 81 0.820 -10.773 3.555 1.00 64.22 C ATOM 1278 OD1 ASN A 81 0.249 -11.830 3.317 1.00 35.31 O ATOM 1279 ND2 ASN A 81 2.090 -10.593 3.242 1.00 5.42 N ATOM 0 H ASN A 81 -0.747 -9.261 1.882 1.00 1.42 H new ATOM 0 HA ASN A 81 -1.904 -10.475 4.192 1.00 50.22 H new ATOM 0 HB2 ASN A 81 0.546 -8.665 3.889 1.00 64.54 H new ATOM 0 HB3 ASN A 81 0.191 -9.661 5.286 1.00 64.54 H new ATOM 0 HD21 ASN A 81 2.616 -11.343 2.793 1.00 5.42 H new ATOM 0 HD22 ASN A 81 2.545 -9.704 3.450 1.00 5.42 H new ATOM 1286 N VAL A 82 -2.100 -7.180 3.933 1.00 3.42 N ATOM 1287 CA VAL A 82 -2.849 -5.987 4.407 1.00 32.22 C ATOM 1288 C VAL A 82 -4.379 -6.233 4.278 1.00 51.11 C ATOM 1289 O VAL A 82 -5.157 -5.947 5.194 1.00 23.23 O ATOM 1290 CB VAL A 82 -2.440 -4.682 3.609 1.00 11.24 C ATOM 1291 CG1 VAL A 82 -3.124 -3.411 4.185 1.00 45.30 C ATOM 1292 CG2 VAL A 82 -0.899 -4.518 3.558 1.00 43.13 C ATOM 0 H VAL A 82 -1.569 -7.017 3.078 1.00 3.42 H new ATOM 0 HA VAL A 82 -2.593 -5.829 5.455 1.00 32.22 H new ATOM 0 HB VAL A 82 -2.799 -4.803 2.587 1.00 11.24 H new ATOM 0 HG11 VAL A 82 -2.816 -2.539 3.608 1.00 45.30 H new ATOM 0 HG12 VAL A 82 -4.207 -3.522 4.125 1.00 45.30 H new ATOM 0 HG13 VAL A 82 -2.830 -3.280 5.226 1.00 45.30 H new ATOM 0 HG21 VAL A 82 -0.647 -3.614 3.004 1.00 43.13 H new ATOM 0 HG22 VAL A 82 -0.507 -4.443 4.572 1.00 43.13 H new ATOM 0 HG23 VAL A 82 -0.457 -5.382 3.062 1.00 43.13 H new ATOM 1302 N LEU A 83 -4.768 -6.818 3.127 1.00 63.12 N ATOM 1303 CA LEU A 83 -6.172 -7.183 2.807 1.00 15.02 C ATOM 1304 C LEU A 83 -6.691 -8.357 3.687 1.00 24.13 C ATOM 1305 O LEU A 83 -7.898 -8.502 3.888 1.00 53.23 O ATOM 1306 CB LEU A 83 -6.268 -7.550 1.297 1.00 73.13 C ATOM 1307 CG LEU A 83 -5.871 -6.410 0.301 1.00 14.12 C ATOM 1308 CD1 LEU A 83 -5.807 -6.913 -1.159 1.00 52.34 C ATOM 1309 CD2 LEU A 83 -6.827 -5.206 0.435 1.00 71.41 C ATOM 0 H LEU A 83 -4.112 -7.055 2.382 1.00 63.12 H new ATOM 0 HA LEU A 83 -6.807 -6.324 3.025 1.00 15.02 H new ATOM 0 HB2 LEU A 83 -5.628 -8.412 1.109 1.00 73.13 H new ATOM 0 HB3 LEU A 83 -7.291 -7.859 1.080 1.00 73.13 H new ATOM 0 HG LEU A 83 -4.867 -6.080 0.568 1.00 14.12 H new ATOM 0 HD11 LEU A 83 -5.528 -6.089 -1.816 1.00 52.34 H new ATOM 0 HD12 LEU A 83 -5.065 -7.707 -1.238 1.00 52.34 H new ATOM 0 HD13 LEU A 83 -6.783 -7.298 -1.454 1.00 52.34 H new ATOM 0 HD21 LEU A 83 -6.531 -4.427 -0.267 1.00 71.41 H new ATOM 0 HD22 LEU A 83 -7.846 -5.524 0.215 1.00 71.41 H new ATOM 0 HD23 LEU A 83 -6.780 -4.816 1.452 1.00 71.41 H new ATOM 1321 N CYS A 84 -5.758 -9.189 4.189 1.00 1.44 N ATOM 1322 CA CYS A 84 -6.070 -10.361 5.054 1.00 22.24 C ATOM 1323 C CYS A 84 -6.199 -9.958 6.544 1.00 34.42 C ATOM 1324 O CYS A 84 -6.632 -10.763 7.375 1.00 61.33 O ATOM 1325 CB CYS A 84 -4.976 -11.446 4.884 1.00 70.22 C ATOM 1326 SG CYS A 84 -5.325 -13.019 5.706 1.00 52.23 S ATOM 0 H CYS A 84 -4.761 -9.073 4.010 1.00 1.44 H new ATOM 0 HA CYS A 84 -7.033 -10.763 4.739 1.00 22.24 H new ATOM 0 HB2 CYS A 84 -4.834 -11.633 3.820 1.00 70.22 H new ATOM 0 HB3 CYS A 84 -4.034 -11.054 5.268 1.00 70.22 H new ATOM 0 HG CYS A 84 -6.027 -12.802 6.778 1.00 52.23 H new ATOM 1332 N GLY A 85 -5.815 -8.703 6.865 1.00 24.13 N ATOM 1333 CA GLY A 85 -5.881 -8.174 8.240 1.00 55.42 C ATOM 1334 C GLY A 85 -4.663 -8.536 9.102 1.00 74.24 C ATOM 1335 O GLY A 85 -4.732 -8.476 10.336 1.00 2.24 O ATOM 0 H GLY A 85 -5.454 -8.036 6.183 1.00 24.13 H new ATOM 0 HA2 GLY A 85 -5.975 -7.089 8.198 1.00 55.42 H new ATOM 0 HA3 GLY A 85 -6.782 -8.553 8.723 1.00 55.42 H new ATOM 1339 N ALA A 86 -3.552 -8.918 8.446 1.00 65.13 N ATOM 1340 CA ALA A 86 -2.268 -9.228 9.119 1.00 51.34 C ATOM 1341 C ALA A 86 -1.419 -7.944 9.302 1.00 42.20 C ATOM 1342 O ALA A 86 -1.065 -7.564 10.426 1.00 44.11 O ATOM 1343 CB ALA A 86 -1.494 -10.288 8.309 1.00 41.52 C ATOM 0 H ALA A 86 -3.515 -9.022 7.432 1.00 65.13 H new ATOM 0 HA ALA A 86 -2.479 -9.631 10.110 1.00 51.34 H new ATOM 0 HB1 ALA A 86 -0.551 -10.511 8.809 1.00 41.52 H new ATOM 0 HB2 ALA A 86 -2.090 -11.197 8.236 1.00 41.52 H new ATOM 0 HB3 ALA A 86 -1.292 -9.906 7.308 1.00 41.52 H new ATOM 1349 N ILE A 87 -1.105 -7.279 8.176 1.00 1.54 N ATOM 1350 CA ILE A 87 -0.392 -5.977 8.165 1.00 64.02 C ATOM 1351 C ILE A 87 -1.422 -4.819 8.180 1.00 41.51 C ATOM 1352 O ILE A 87 -2.390 -4.845 7.416 1.00 5.15 O ATOM 1353 CB ILE A 87 0.541 -5.858 6.892 1.00 0.23 C ATOM 1354 CG1 ILE A 87 1.563 -7.047 6.840 1.00 54.41 C ATOM 1355 CG2 ILE A 87 1.281 -4.488 6.844 1.00 13.44 C ATOM 1356 CD1 ILE A 87 2.480 -7.059 5.620 1.00 3.44 C ATOM 0 H ILE A 87 -1.336 -7.624 7.244 1.00 1.54 H new ATOM 0 HA ILE A 87 0.235 -5.915 9.054 1.00 64.02 H new ATOM 0 HB ILE A 87 -0.098 -5.913 6.011 1.00 0.23 H new ATOM 0 HG12 ILE A 87 2.179 -7.015 7.738 1.00 54.41 H new ATOM 0 HG13 ILE A 87 1.008 -7.985 6.867 1.00 54.41 H new ATOM 0 HG21 ILE A 87 1.911 -4.446 5.956 1.00 13.44 H new ATOM 0 HG22 ILE A 87 0.550 -3.680 6.809 1.00 13.44 H new ATOM 0 HG23 ILE A 87 1.901 -4.378 7.734 1.00 13.44 H new ATOM 0 HD11 ILE A 87 3.149 -7.918 5.676 1.00 3.44 H new ATOM 0 HD12 ILE A 87 1.879 -7.126 4.713 1.00 3.44 H new ATOM 0 HD13 ILE A 87 3.069 -6.142 5.598 1.00 3.44 H new ATOM 1368 N THR A 88 -1.221 -3.817 9.058 1.00 1.43 N ATOM 1369 CA THR A 88 -2.121 -2.635 9.128 1.00 54.43 C ATOM 1370 C THR A 88 -1.735 -1.581 8.054 1.00 2.21 C ATOM 1371 O THR A 88 -0.564 -1.510 7.646 1.00 22.45 O ATOM 1372 CB THR A 88 -2.099 -1.954 10.538 1.00 1.11 C ATOM 1373 OG1 THR A 88 -0.829 -1.344 10.775 1.00 54.25 O ATOM 1374 CG2 THR A 88 -2.401 -2.954 11.666 1.00 30.42 C ATOM 0 H THR A 88 -0.451 -3.796 9.727 1.00 1.43 H new ATOM 0 HA THR A 88 -3.129 -3.005 8.940 1.00 54.43 H new ATOM 0 HB THR A 88 -2.881 -1.195 10.539 1.00 1.11 H new ATOM 0 HG1 THR A 88 -0.829 -0.921 11.659 1.00 54.25 H new ATOM 0 HG21 THR A 88 -2.375 -2.438 12.626 1.00 30.42 H new ATOM 0 HG22 THR A 88 -3.389 -3.387 11.513 1.00 30.42 H new ATOM 0 HG23 THR A 88 -1.653 -3.746 11.660 1.00 30.42 H new ATOM 1382 N PRO A 89 -2.729 -0.767 7.553 1.00 20.50 N ATOM 1383 CA PRO A 89 -2.475 0.365 6.618 1.00 24.12 C ATOM 1384 C PRO A 89 -1.323 1.325 7.032 1.00 73.43 C ATOM 1385 O PRO A 89 -0.597 1.824 6.165 1.00 72.40 O ATOM 1386 CB PRO A 89 -3.827 1.111 6.617 1.00 12.44 C ATOM 1387 CG PRO A 89 -4.844 0.036 6.831 1.00 74.04 C ATOM 1388 CD PRO A 89 -4.197 -0.935 7.798 1.00 61.22 C ATOM 0 HA PRO A 89 -2.143 -0.005 5.648 1.00 24.12 H new ATOM 0 HB2 PRO A 89 -3.868 1.860 7.408 1.00 12.44 H new ATOM 0 HB3 PRO A 89 -3.992 1.633 5.674 1.00 12.44 H new ATOM 0 HG2 PRO A 89 -5.768 0.444 7.241 1.00 74.04 H new ATOM 0 HG3 PRO A 89 -5.101 -0.455 5.893 1.00 74.04 H new ATOM 0 HD2 PRO A 89 -4.458 -0.704 8.831 1.00 61.22 H new ATOM 0 HD3 PRO A 89 -4.518 -1.959 7.610 1.00 61.22 H new ATOM 1396 N GLN A 90 -1.169 1.587 8.349 1.00 23.34 N ATOM 1397 CA GLN A 90 -0.077 2.451 8.852 1.00 73.30 C ATOM 1398 C GLN A 90 1.303 1.758 8.722 1.00 34.34 C ATOM 1399 O GLN A 90 2.261 2.409 8.340 1.00 52.23 O ATOM 1400 CB GLN A 90 -0.310 2.916 10.320 1.00 30.31 C ATOM 1401 CG GLN A 90 -0.328 1.791 11.383 1.00 64.55 C ATOM 1402 CD GLN A 90 -0.140 2.279 12.827 1.00 52.44 C ATOM 1403 OE1 GLN A 90 0.696 3.290 13.032 1.00 72.30 O flip ATOM 1404 NE2 GLN A 90 -0.694 1.713 13.760 1.00 53.21 N flip ATOM 0 H GLN A 90 -1.780 1.217 9.077 1.00 23.34 H new ATOM 0 HA GLN A 90 -0.081 3.340 8.222 1.00 73.30 H new ATOM 0 HB2 GLN A 90 0.471 3.629 10.585 1.00 30.31 H new ATOM 0 HB3 GLN A 90 -1.259 3.451 10.367 1.00 30.31 H new ATOM 0 HG2 GLN A 90 -1.276 1.257 11.313 1.00 64.55 H new ATOM 0 HG3 GLN A 90 0.459 1.074 11.149 1.00 64.55 H new ATOM 0 HE21 GLN A 90 -1.333 0.938 13.580 1.00 53.21 H new ATOM 0 HE22 GLN A 90 -0.517 2.016 14.718 1.00 53.21 H new ATOM 1413 N GLN A 91 1.383 0.430 9.016 1.00 24.13 N ATOM 1414 CA GLN A 91 2.653 -0.353 8.902 1.00 44.33 C ATOM 1415 C GLN A 91 3.235 -0.270 7.473 1.00 44.00 C ATOM 1416 O GLN A 91 4.386 0.116 7.284 1.00 71.40 O ATOM 1417 CB GLN A 91 2.440 -1.850 9.279 1.00 0.41 C ATOM 1418 CG GLN A 91 2.169 -2.127 10.768 1.00 30.14 C ATOM 1419 CD GLN A 91 1.795 -3.593 11.052 1.00 54.44 C ATOM 1420 OE1 GLN A 91 2.233 -4.516 10.368 1.00 65.33 O ATOM 1421 NE2 GLN A 91 0.968 -3.823 12.053 1.00 3.30 N ATOM 0 H GLN A 91 0.586 -0.122 9.333 1.00 24.13 H new ATOM 0 HA GLN A 91 3.358 0.091 9.605 1.00 44.33 H new ATOM 0 HB2 GLN A 91 1.603 -2.237 8.697 1.00 0.41 H new ATOM 0 HB3 GLN A 91 3.324 -2.412 8.978 1.00 0.41 H new ATOM 0 HG2 GLN A 91 3.055 -1.866 11.347 1.00 30.14 H new ATOM 0 HG3 GLN A 91 1.362 -1.480 11.111 1.00 30.14 H new ATOM 0 HE21 GLN A 91 0.614 -3.046 12.611 1.00 3.30 H new ATOM 0 HE22 GLN A 91 0.683 -4.778 12.270 1.00 3.30 H new ATOM 1430 N ILE A 92 2.399 -0.601 6.479 1.00 12.01 N ATOM 1431 CA ILE A 92 2.810 -0.621 5.057 1.00 71.31 C ATOM 1432 C ILE A 92 3.121 0.821 4.523 1.00 20.03 C ATOM 1433 O ILE A 92 3.876 0.991 3.555 1.00 11.14 O ATOM 1434 CB ILE A 92 1.712 -1.357 4.183 1.00 4.34 C ATOM 1435 CG1 ILE A 92 2.277 -1.775 2.783 1.00 74.41 C ATOM 1436 CG2 ILE A 92 0.421 -0.516 4.044 1.00 23.04 C ATOM 1437 CD1 ILE A 92 3.418 -2.789 2.845 1.00 71.14 C ATOM 0 H ILE A 92 1.424 -0.862 6.630 1.00 12.01 H new ATOM 0 HA ILE A 92 3.739 -1.184 4.974 1.00 71.31 H new ATOM 0 HB ILE A 92 1.442 -2.269 4.715 1.00 4.34 H new ATOM 0 HG12 ILE A 92 1.466 -2.193 2.187 1.00 74.41 H new ATOM 0 HG13 ILE A 92 2.627 -0.883 2.264 1.00 74.41 H new ATOM 0 HG21 ILE A 92 -0.304 -1.059 3.437 1.00 23.04 H new ATOM 0 HG22 ILE A 92 -0.000 -0.330 5.032 1.00 23.04 H new ATOM 0 HG23 ILE A 92 0.656 0.434 3.565 1.00 23.04 H new ATOM 0 HD11 ILE A 92 3.751 -3.024 1.834 1.00 71.14 H new ATOM 0 HD12 ILE A 92 4.248 -2.368 3.412 1.00 71.14 H new ATOM 0 HD13 ILE A 92 3.070 -3.699 3.333 1.00 71.14 H new ATOM 1449 N ALA A 93 2.542 1.845 5.191 1.00 63.55 N ATOM 1450 CA ALA A 93 2.774 3.278 4.873 1.00 3.41 C ATOM 1451 C ALA A 93 4.066 3.852 5.527 1.00 2.51 C ATOM 1452 O ALA A 93 4.699 4.749 4.956 1.00 32.22 O ATOM 1453 CB ALA A 93 1.554 4.109 5.299 1.00 13.24 C ATOM 0 H ALA A 93 1.898 1.703 5.969 1.00 63.55 H new ATOM 0 HA ALA A 93 2.917 3.343 3.794 1.00 3.41 H new ATOM 0 HB1 ALA A 93 1.729 5.159 5.064 1.00 13.24 H new ATOM 0 HB2 ALA A 93 0.671 3.759 4.764 1.00 13.24 H new ATOM 0 HB3 ALA A 93 1.395 3.999 6.372 1.00 13.24 H new ATOM 1459 N VAL A 94 4.439 3.356 6.731 1.00 43.03 N ATOM 1460 CA VAL A 94 5.605 3.889 7.499 1.00 13.44 C ATOM 1461 C VAL A 94 6.925 3.156 7.151 1.00 63.31 C ATOM 1462 O VAL A 94 7.988 3.783 7.142 1.00 14.25 O ATOM 1463 CB VAL A 94 5.370 3.866 9.064 1.00 53.52 C ATOM 1464 CG1 VAL A 94 4.154 4.737 9.471 1.00 63.31 C ATOM 1465 CG2 VAL A 94 5.245 2.423 9.621 1.00 12.12 C ATOM 0 H VAL A 94 3.954 2.589 7.196 1.00 43.03 H new ATOM 0 HA VAL A 94 5.700 4.930 7.190 1.00 13.44 H new ATOM 0 HB VAL A 94 6.258 4.304 9.519 1.00 53.52 H new ATOM 0 HG11 VAL A 94 4.023 4.697 10.552 1.00 63.31 H new ATOM 0 HG12 VAL A 94 4.326 5.769 9.164 1.00 63.31 H new ATOM 0 HG13 VAL A 94 3.256 4.359 8.983 1.00 63.31 H new ATOM 0 HG21 VAL A 94 5.085 2.462 10.698 1.00 12.12 H new ATOM 0 HG22 VAL A 94 4.402 1.922 9.146 1.00 12.12 H new ATOM 0 HG23 VAL A 94 6.161 1.871 9.410 1.00 12.12 H new ATOM 1475 N MET A 95 6.855 1.834 6.873 1.00 2.45 N ATOM 1476 CA MET A 95 8.048 1.032 6.494 1.00 51.11 C ATOM 1477 C MET A 95 8.599 1.475 5.122 1.00 41.00 C ATOM 1478 O MET A 95 7.831 1.863 4.237 1.00 24.31 O ATOM 1479 CB MET A 95 7.721 -0.491 6.459 1.00 11.33 C ATOM 1480 CG MET A 95 7.301 -1.093 7.809 1.00 44.45 C ATOM 1481 SD MET A 95 7.027 -2.883 7.726 1.00 51.13 S ATOM 1482 CE MET A 95 5.712 -3.019 6.510 1.00 54.15 C ATOM 0 H MET A 95 5.988 1.298 6.903 1.00 2.45 H new ATOM 0 HA MET A 95 8.808 1.207 7.255 1.00 51.11 H new ATOM 0 HB2 MET A 95 6.921 -0.660 5.738 1.00 11.33 H new ATOM 0 HB3 MET A 95 8.597 -1.028 6.095 1.00 11.33 H new ATOM 0 HG2 MET A 95 8.071 -0.882 8.551 1.00 44.45 H new ATOM 0 HG3 MET A 95 6.388 -0.606 8.150 1.00 44.45 H new ATOM 0 HE1 MET A 95 5.002 -3.783 6.826 1.00 54.15 H new ATOM 0 HE2 MET A 95 5.199 -2.061 6.420 1.00 54.15 H new ATOM 0 HE3 MET A 95 6.136 -3.295 5.545 1.00 54.15 H new ATOM 1492 N THR A 96 9.927 1.431 4.959 1.00 63.52 N ATOM 1493 CA THR A 96 10.582 1.739 3.668 1.00 53.34 C ATOM 1494 C THR A 96 10.369 0.584 2.669 1.00 45.20 C ATOM 1495 O THR A 96 10.104 -0.551 3.077 1.00 43.40 O ATOM 1496 CB THR A 96 12.121 1.989 3.831 1.00 42.21 C ATOM 1497 OG1 THR A 96 12.778 0.787 4.276 1.00 31.45 O ATOM 1498 CG2 THR A 96 12.413 3.135 4.816 1.00 32.34 C ATOM 0 H THR A 96 10.577 1.185 5.705 1.00 63.52 H new ATOM 0 HA THR A 96 10.123 2.653 3.292 1.00 53.34 H new ATOM 0 HB THR A 96 12.509 2.277 2.854 1.00 42.21 H new ATOM 0 HG1 THR A 96 12.656 0.687 5.243 1.00 31.45 H new ATOM 0 HG21 THR A 96 13.490 3.276 4.901 1.00 32.34 H new ATOM 0 HG22 THR A 96 11.954 4.054 4.451 1.00 32.34 H new ATOM 0 HG23 THR A 96 12.001 2.887 5.794 1.00 32.34 H new ATOM 1506 N SER A 97 10.511 0.885 1.363 1.00 15.32 N ATOM 1507 CA SER A 97 10.399 -0.125 0.275 1.00 13.42 C ATOM 1508 C SER A 97 11.416 -1.282 0.460 1.00 62.23 C ATOM 1509 O SER A 97 11.142 -2.427 0.089 1.00 72.33 O ATOM 1510 CB SER A 97 10.610 0.554 -1.097 1.00 34.33 C ATOM 1511 OG SER A 97 10.574 -0.385 -2.159 1.00 51.13 O ATOM 0 H SER A 97 10.706 1.828 1.027 1.00 15.32 H new ATOM 0 HA SER A 97 9.398 -0.554 0.319 1.00 13.42 H new ATOM 0 HB2 SER A 97 9.838 1.308 -1.252 1.00 34.33 H new ATOM 0 HB3 SER A 97 11.569 1.073 -1.103 1.00 34.33 H new ATOM 0 HG SER A 97 9.644 -0.625 -2.352 1.00 51.13 H new ATOM 1517 N GLU A 98 12.574 -0.950 1.064 1.00 4.55 N ATOM 1518 CA GLU A 98 13.637 -1.921 1.404 1.00 10.22 C ATOM 1519 C GLU A 98 13.156 -2.957 2.466 1.00 54.40 C ATOM 1520 O GLU A 98 13.484 -4.139 2.385 1.00 72.23 O ATOM 1521 CB GLU A 98 14.877 -1.157 1.942 1.00 30.44 C ATOM 1522 CG GLU A 98 16.145 -2.029 2.125 1.00 33.22 C ATOM 1523 CD GLU A 98 17.217 -1.358 3.002 1.00 64.13 C ATOM 1524 OE1 GLU A 98 17.954 -0.478 2.506 1.00 41.31 O ATOM 1525 OE2 GLU A 98 17.315 -1.700 4.201 1.00 4.41 O ATOM 0 H GLU A 98 12.801 0.007 1.333 1.00 4.55 H new ATOM 0 HA GLU A 98 13.896 -2.470 0.499 1.00 10.22 H new ATOM 0 HB2 GLU A 98 15.109 -0.341 1.258 1.00 30.44 H new ATOM 0 HB3 GLU A 98 14.621 -0.706 2.901 1.00 30.44 H new ATOM 0 HG2 GLU A 98 15.862 -2.982 2.572 1.00 33.22 H new ATOM 0 HG3 GLU A 98 16.571 -2.250 1.146 1.00 33.22 H new ATOM 1532 N GLU A 99 12.400 -2.479 3.473 1.00 53.00 N ATOM 1533 CA GLU A 99 11.828 -3.336 4.554 1.00 60.12 C ATOM 1534 C GLU A 99 10.600 -4.149 4.061 1.00 74.13 C ATOM 1535 O GLU A 99 10.338 -5.252 4.552 1.00 22.21 O ATOM 1536 CB GLU A 99 11.437 -2.453 5.769 1.00 52.31 C ATOM 1537 CG GLU A 99 12.632 -1.715 6.419 1.00 22.22 C ATOM 1538 CD GLU A 99 12.209 -0.717 7.512 1.00 22.52 C ATOM 1539 OE1 GLU A 99 11.886 0.442 7.174 1.00 1.13 O ATOM 1540 OE2 GLU A 99 12.180 -1.089 8.705 1.00 64.11 O ATOM 0 H GLU A 99 12.163 -1.491 3.569 1.00 53.00 H new ATOM 0 HA GLU A 99 12.592 -4.053 4.853 1.00 60.12 H new ATOM 0 HB2 GLU A 99 10.699 -1.717 5.448 1.00 52.31 H new ATOM 0 HB3 GLU A 99 10.957 -3.079 6.521 1.00 52.31 H new ATOM 0 HG2 GLU A 99 13.312 -2.449 6.851 1.00 22.22 H new ATOM 0 HG3 GLU A 99 13.186 -1.183 5.646 1.00 22.22 H new ATOM 1547 N MET A 100 9.859 -3.577 3.091 1.00 44.10 N ATOM 1548 CA MET A 100 8.691 -4.226 2.447 1.00 74.11 C ATOM 1549 C MET A 100 9.124 -5.456 1.602 1.00 13.31 C ATOM 1550 O MET A 100 8.472 -6.505 1.634 1.00 32.44 O ATOM 1551 CB MET A 100 7.953 -3.192 1.555 1.00 3.04 C ATOM 1552 CG MET A 100 7.315 -2.025 2.327 1.00 15.33 C ATOM 1553 SD MET A 100 6.825 -0.649 1.254 1.00 35.40 S ATOM 1554 CE MET A 100 5.611 -1.412 0.187 1.00 33.23 C ATOM 0 H MET A 100 10.053 -2.644 2.727 1.00 44.10 H new ATOM 0 HA MET A 100 8.018 -4.582 3.227 1.00 74.11 H new ATOM 0 HB2 MET A 100 8.658 -2.788 0.829 1.00 3.04 H new ATOM 0 HB3 MET A 100 7.175 -3.707 0.991 1.00 3.04 H new ATOM 0 HG2 MET A 100 6.439 -2.388 2.865 1.00 15.33 H new ATOM 0 HG3 MET A 100 8.021 -1.662 3.074 1.00 15.33 H new ATOM 0 HE1 MET A 100 5.402 -0.753 -0.656 1.00 33.23 H new ATOM 0 HE2 MET A 100 5.997 -2.362 -0.182 1.00 33.23 H new ATOM 0 HE3 MET A 100 4.692 -1.586 0.747 1.00 33.23 H new