USER MOD reduce.3.24.130724 H: found=0, std=0, add=1010, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 1009 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 103 GLN : amide:sc= 0.265 K(o=-4.8,f=-9.2!) USER MOD Set 1.2: A 105 ASN : amide:sc= -5.05! C(o=-4.8!,f=-12!) USER MOD Set 2.1: A 94 ASN : amide:sc= 0.133 K(o=0.27,f=-0.42) USER MOD Set 2.2: A 111 GLN : amide:sc= 0.134 K(o=0.27,f=-1.1) USER MOD Set 3.1: A 88 LYS NZ :NH3+ -167:sc= -0.0202 (180deg=-0.207) USER MOD Set 3.2: A 90 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 61 LYS NZ :NH3+ 149:sc= -1.41 (180deg=-3.43!) USER MOD Set 4.2: A 121 HIS : no HE2:sc= -0.324 K(o=-1.7,f=-3.1) USER MOD Single : A 9 TYR OH : rot -86:sc= 0.45 USER MOD Single : A 12 TYR OH : rot 38:sc= -3.26 USER MOD Single : A 19 GLN : amide:sc= -0.141 K(o=-0.14,f=-1.4!) USER MOD Single : A 20 TYR OH : rot 180:sc= -0.0663 USER MOD Single : A 21 HIS : no HD1:sc= -5.73 K(o=-5.7,f=-8.2!) USER MOD Single : A 22 ASN : amide:sc= -0.655 K(o=-0.65,f=-0.094) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -1.2 K(o=-1.2,f=-1.8) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -56:sc= 1.11 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 171:sc=-0.00568 (180deg=-0.125) USER MOD Single : A 58 LYS NZ :NH3+ -172:sc= -0.0558 (180deg=-0.21) USER MOD Single : A 59 GLN : amide:sc= -1.18 K(o=-1.2,f=-0.11) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.647 USER MOD Single : A 68 ASN : amide:sc= -1.51 K(o=-1.5,f=-0.52!) USER MOD Single : A 71 SER OG : rot -142:sc= 0.0572 USER MOD Single : A 83 HIS : no HD1:sc= -2.75! C(o=-2.8!,f=-11!) USER MOD Single : A 87 THR OG1 : rot 176:sc= -1.77 USER MOD Single : A 91 LYS NZ :NH3+ 144:sc= -0.244 (180deg=-1.73) USER MOD Single : A 96 TYR OH : rot 30:sc= -2.5! USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 118 TYR OH : rot -142:sc= 1.02 USER MOD Single : A 119 GLN : amide:sc= -1.66 K(o=-1.7,f=-9.1!) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 146 N ILE A 7 12.133 -8.879 -1.626 1.00 0.35 N ATOM 147 CA ILE A 7 11.065 -7.939 -1.920 1.00 0.28 C ATOM 148 C ILE A 7 10.325 -7.522 -0.656 1.00 0.24 C ATOM 149 O ILE A 7 10.122 -8.322 0.257 1.00 0.31 O ATOM 150 CB ILE A 7 10.055 -8.533 -2.921 1.00 0.29 C ATOM 151 CG1 ILE A 7 10.763 -8.907 -4.221 1.00 0.36 C ATOM 152 CG2 ILE A 7 8.925 -7.551 -3.193 1.00 0.27 C ATOM 153 CD1 ILE A 7 9.822 -9.419 -5.288 1.00 0.43 C ATOM 0 HA ILE A 7 11.535 -7.061 -2.363 1.00 0.28 H new ATOM 0 HB ILE A 7 9.623 -9.434 -2.485 1.00 0.29 H new ATOM 0 HG12 ILE A 7 11.293 -8.034 -4.602 1.00 0.36 H new ATOM 0 HG13 ILE A 7 11.513 -9.669 -4.012 1.00 0.36 H new ATOM 0 HG21 ILE A 7 8.224 -7.991 -3.902 1.00 0.27 H new ATOM 0 HG22 ILE A 7 8.406 -7.326 -2.261 1.00 0.27 H new ATOM 0 HG23 ILE A 7 9.335 -6.631 -3.611 1.00 0.27 H new ATOM 0 HD11 ILE A 7 10.389 -9.666 -6.185 1.00 0.43 H new ATOM 0 HD12 ILE A 7 9.310 -10.310 -4.925 1.00 0.43 H new ATOM 0 HD13 ILE A 7 9.087 -8.650 -5.524 1.00 0.43 H new ATOM 165 N ASP A 8 9.928 -6.260 -0.620 1.00 0.19 N ATOM 166 CA ASP A 8 9.198 -5.714 0.511 1.00 0.16 C ATOM 167 C ASP A 8 7.894 -5.086 0.032 1.00 0.14 C ATOM 168 O ASP A 8 7.883 -3.975 -0.499 1.00 0.14 O ATOM 169 CB ASP A 8 10.052 -4.677 1.240 1.00 0.19 C ATOM 170 CG ASP A 8 11.328 -5.273 1.804 1.00 1.13 C ATOM 171 OD1 ASP A 8 12.350 -5.278 1.086 1.00 2.04 O ATOM 172 OD2 ASP A 8 11.304 -5.735 2.965 1.00 1.06 O ATOM 0 H ASP A 8 10.102 -5.590 -1.369 1.00 0.19 H new ATOM 0 HA ASP A 8 8.966 -6.521 1.206 1.00 0.16 H new ATOM 0 HB2 ASP A 8 10.304 -3.870 0.553 1.00 0.19 H new ATOM 0 HB3 ASP A 8 9.471 -4.236 2.050 1.00 0.19 H new ATOM 177 N TYR A 9 6.798 -5.812 0.220 1.00 0.12 N ATOM 178 CA TYR A 9 5.485 -5.347 -0.205 1.00 0.12 C ATOM 179 C TYR A 9 5.214 -3.938 0.296 1.00 0.11 C ATOM 180 O TYR A 9 4.646 -3.116 -0.421 1.00 0.12 O ATOM 181 CB TYR A 9 4.407 -6.303 0.294 1.00 0.14 C ATOM 182 CG TYR A 9 4.749 -7.752 0.054 1.00 0.16 C ATOM 183 CD1 TYR A 9 5.223 -8.174 -1.179 1.00 0.15 C ATOM 184 CD2 TYR A 9 4.603 -8.695 1.061 1.00 0.24 C ATOM 185 CE1 TYR A 9 5.544 -9.497 -1.404 1.00 0.18 C ATOM 186 CE2 TYR A 9 4.921 -10.021 0.847 1.00 0.27 C ATOM 187 CZ TYR A 9 5.391 -10.419 -0.389 1.00 0.23 C ATOM 188 OH TYR A 9 5.709 -11.741 -0.607 1.00 0.27 O ATOM 0 H TYR A 9 6.794 -6.729 0.666 1.00 0.12 H new ATOM 0 HA TYR A 9 5.466 -5.325 -1.295 1.00 0.12 H new ATOM 0 HB2 TYR A 9 4.253 -6.143 1.361 1.00 0.14 H new ATOM 0 HB3 TYR A 9 3.465 -6.071 -0.202 1.00 0.14 H new ATOM 0 HD1 TYR A 9 5.343 -7.455 -1.976 1.00 0.15 H new ATOM 0 HD2 TYR A 9 4.234 -8.387 2.028 1.00 0.24 H new ATOM 0 HE1 TYR A 9 5.913 -9.809 -2.370 1.00 0.18 H new ATOM 0 HE2 TYR A 9 4.803 -10.743 1.641 1.00 0.27 H new ATOM 0 HH TYR A 9 4.937 -12.204 -0.994 1.00 0.27 H new ATOM 198 N GLY A 10 5.626 -3.657 1.524 1.00 0.10 N ATOM 199 CA GLY A 10 5.412 -2.338 2.072 1.00 0.11 C ATOM 200 C GLY A 10 6.046 -1.279 1.203 1.00 0.10 C ATOM 201 O GLY A 10 5.366 -0.392 0.691 1.00 0.12 O ATOM 0 H GLY A 10 6.100 -4.314 2.144 1.00 0.10 H new ATOM 0 HA2 GLY A 10 4.343 -2.147 2.161 1.00 0.11 H new ATOM 0 HA3 GLY A 10 5.830 -2.286 3.077 1.00 0.11 H new ATOM 205 N LEU A 11 7.347 -1.401 0.995 1.00 0.10 N ATOM 206 CA LEU A 11 8.074 -0.454 0.170 1.00 0.11 C ATOM 207 C LEU A 11 7.454 -0.394 -1.213 1.00 0.11 C ATOM 208 O LEU A 11 7.298 0.679 -1.797 1.00 0.16 O ATOM 209 CB LEU A 11 9.535 -0.868 0.063 1.00 0.13 C ATOM 210 CG LEU A 11 10.426 0.108 -0.694 1.00 0.16 C ATOM 211 CD1 LEU A 11 10.514 1.431 0.050 1.00 0.13 C ATOM 212 CD2 LEU A 11 11.805 -0.494 -0.894 1.00 0.23 C ATOM 0 H LEU A 11 7.920 -2.148 1.387 1.00 0.10 H new ATOM 0 HA LEU A 11 8.018 0.532 0.631 1.00 0.11 H new ATOM 0 HB2 LEU A 11 9.935 -0.997 1.069 1.00 0.13 H new ATOM 0 HB3 LEU A 11 9.587 -1.840 -0.428 1.00 0.13 H new ATOM 0 HG LEU A 11 9.989 0.300 -1.674 1.00 0.16 H new ATOM 0 HD11 LEU A 11 11.154 2.118 -0.504 1.00 0.13 H new ATOM 0 HD12 LEU A 11 9.517 1.862 0.146 1.00 0.13 H new ATOM 0 HD13 LEU A 11 10.934 1.263 1.042 1.00 0.13 H new ATOM 0 HD21 LEU A 11 12.435 0.211 -1.436 1.00 0.23 H new ATOM 0 HD22 LEU A 11 12.253 -0.708 0.076 1.00 0.23 H new ATOM 0 HD23 LEU A 11 11.719 -1.418 -1.466 1.00 0.23 H new ATOM 224 N TYR A 12 7.103 -1.561 -1.731 1.00 0.09 N ATOM 225 CA TYR A 12 6.486 -1.657 -3.041 1.00 0.09 C ATOM 226 C TYR A 12 5.183 -0.877 -3.050 1.00 0.09 C ATOM 227 O TYR A 12 4.936 -0.064 -3.940 1.00 0.12 O ATOM 228 CB TYR A 12 6.233 -3.117 -3.399 1.00 0.09 C ATOM 229 CG TYR A 12 5.653 -3.309 -4.777 1.00 0.10 C ATOM 230 CD1 TYR A 12 5.991 -2.453 -5.816 1.00 0.14 C ATOM 231 CD2 TYR A 12 4.768 -4.343 -5.037 1.00 0.10 C ATOM 232 CE1 TYR A 12 5.459 -2.623 -7.078 1.00 0.16 C ATOM 233 CE2 TYR A 12 4.233 -4.522 -6.296 1.00 0.12 C ATOM 234 CZ TYR A 12 4.581 -3.659 -7.314 1.00 0.15 C ATOM 235 OH TYR A 12 4.047 -3.831 -8.570 1.00 0.18 O ATOM 0 H TYR A 12 7.236 -2.456 -1.261 1.00 0.09 H new ATOM 0 HA TYR A 12 7.159 -1.232 -3.785 1.00 0.09 H new ATOM 0 HB2 TYR A 12 7.171 -3.667 -3.329 1.00 0.09 H new ATOM 0 HB3 TYR A 12 5.554 -3.550 -2.665 1.00 0.09 H new ATOM 0 HD1 TYR A 12 6.681 -1.642 -5.634 1.00 0.14 H new ATOM 0 HD2 TYR A 12 4.493 -5.020 -4.241 1.00 0.10 H new ATOM 0 HE1 TYR A 12 5.729 -1.948 -7.876 1.00 0.16 H new ATOM 0 HE2 TYR A 12 3.545 -5.333 -6.483 1.00 0.12 H new ATOM 0 HH TYR A 12 4.728 -3.630 -9.245 1.00 0.18 H new ATOM 245 N ALA A 13 4.354 -1.127 -2.044 1.00 0.10 N ATOM 246 CA ALA A 13 3.083 -0.436 -1.921 1.00 0.12 C ATOM 247 C ALA A 13 3.319 1.062 -1.880 1.00 0.12 C ATOM 248 O ALA A 13 2.534 1.845 -2.415 1.00 0.13 O ATOM 249 CB ALA A 13 2.349 -0.894 -0.673 1.00 0.13 C ATOM 0 H ALA A 13 4.542 -1.803 -1.304 1.00 0.10 H new ATOM 0 HA ALA A 13 2.463 -0.674 -2.786 1.00 0.12 H new ATOM 0 HB1 ALA A 13 1.398 -0.366 -0.596 1.00 0.13 H new ATOM 0 HB2 ALA A 13 2.165 -1.967 -0.732 1.00 0.13 H new ATOM 0 HB3 ALA A 13 2.956 -0.678 0.206 1.00 0.13 H new ATOM 255 N LEU A 14 4.412 1.454 -1.236 1.00 0.11 N ATOM 256 CA LEU A 14 4.774 2.855 -1.141 1.00 0.11 C ATOM 257 C LEU A 14 5.077 3.384 -2.531 1.00 0.12 C ATOM 258 O LEU A 14 4.562 4.420 -2.948 1.00 0.14 O ATOM 259 CB LEU A 14 5.999 3.031 -0.241 1.00 0.12 C ATOM 260 CG LEU A 14 6.021 4.313 0.594 1.00 0.10 C ATOM 261 CD1 LEU A 14 7.427 4.594 1.096 1.00 0.11 C ATOM 262 CD2 LEU A 14 5.497 5.496 -0.207 1.00 0.10 C ATOM 0 H LEU A 14 5.061 0.818 -0.773 1.00 0.11 H new ATOM 0 HA LEU A 14 3.944 3.411 -0.706 1.00 0.11 H new ATOM 0 HB2 LEU A 14 6.059 2.177 0.434 1.00 0.12 H new ATOM 0 HB3 LEU A 14 6.893 3.008 -0.864 1.00 0.12 H new ATOM 0 HG LEU A 14 5.365 4.169 1.452 1.00 0.10 H new ATOM 0 HD11 LEU A 14 7.426 5.509 1.688 1.00 0.11 H new ATOM 0 HD12 LEU A 14 7.766 3.762 1.714 1.00 0.11 H new ATOM 0 HD13 LEU A 14 8.100 4.712 0.247 1.00 0.11 H new ATOM 0 HD21 LEU A 14 5.524 6.394 0.410 1.00 0.10 H new ATOM 0 HD22 LEU A 14 6.121 5.643 -1.089 1.00 0.10 H new ATOM 0 HD23 LEU A 14 4.471 5.299 -0.517 1.00 0.10 H new ATOM 274 N GLU A 15 5.925 2.651 -3.242 1.00 0.11 N ATOM 275 CA GLU A 15 6.298 3.009 -4.599 1.00 0.13 C ATOM 276 C GLU A 15 5.057 3.151 -5.461 1.00 0.13 C ATOM 277 O GLU A 15 4.854 4.167 -6.113 1.00 0.15 O ATOM 278 CB GLU A 15 7.207 1.937 -5.190 1.00 0.14 C ATOM 279 CG GLU A 15 8.576 1.870 -4.542 1.00 0.16 C ATOM 280 CD GLU A 15 9.328 0.607 -4.911 1.00 0.26 C ATOM 281 OE1 GLU A 15 9.648 0.434 -6.106 1.00 0.34 O ATOM 282 OE2 GLU A 15 9.597 -0.210 -4.005 1.00 0.35 O ATOM 0 H GLU A 15 6.368 1.800 -2.896 1.00 0.11 H new ATOM 0 HA GLU A 15 6.830 3.960 -4.576 1.00 0.13 H new ATOM 0 HB2 GLU A 15 6.721 0.967 -5.091 1.00 0.14 H new ATOM 0 HB3 GLU A 15 7.329 2.125 -6.257 1.00 0.14 H new ATOM 0 HG2 GLU A 15 9.161 2.739 -4.843 1.00 0.16 H new ATOM 0 HG3 GLU A 15 8.465 1.920 -3.459 1.00 0.16 H new ATOM 289 N ILE A 16 4.223 2.119 -5.442 1.00 0.11 N ATOM 290 CA ILE A 16 2.994 2.111 -6.215 1.00 0.12 C ATOM 291 C ILE A 16 2.171 3.350 -5.917 1.00 0.11 C ATOM 292 O ILE A 16 1.675 4.017 -6.825 1.00 0.14 O ATOM 293 CB ILE A 16 2.166 0.858 -5.893 1.00 0.12 C ATOM 294 CG1 ILE A 16 2.974 -0.394 -6.218 1.00 0.13 C ATOM 295 CG2 ILE A 16 0.852 0.866 -6.657 1.00 0.13 C ATOM 296 CD1 ILE A 16 2.447 -1.637 -5.548 1.00 0.25 C ATOM 0 H ILE A 16 4.380 1.273 -4.895 1.00 0.11 H new ATOM 0 HA ILE A 16 3.259 2.104 -7.272 1.00 0.12 H new ATOM 0 HB ILE A 16 1.931 0.858 -4.829 1.00 0.12 H new ATOM 0 HG12 ILE A 16 2.977 -0.545 -7.297 1.00 0.13 H new ATOM 0 HG13 ILE A 16 4.009 -0.238 -5.915 1.00 0.13 H new ATOM 0 HG21 ILE A 16 0.283 -0.031 -6.412 1.00 0.13 H new ATOM 0 HG22 ILE A 16 0.275 1.748 -6.379 1.00 0.13 H new ATOM 0 HG23 ILE A 16 1.054 0.887 -7.728 1.00 0.13 H new ATOM 0 HD11 ILE A 16 3.068 -2.490 -5.822 1.00 0.25 H new ATOM 0 HD12 ILE A 16 2.470 -1.505 -4.466 1.00 0.25 H new ATOM 0 HD13 ILE A 16 1.421 -1.817 -5.870 1.00 0.25 H new ATOM 308 N LEU A 17 2.033 3.652 -4.636 1.00 0.10 N ATOM 309 CA LEU A 17 1.287 4.821 -4.213 1.00 0.10 C ATOM 310 C LEU A 17 2.043 6.069 -4.620 1.00 0.11 C ATOM 311 O LEU A 17 1.451 7.069 -5.024 1.00 0.16 O ATOM 312 CB LEU A 17 1.076 4.792 -2.705 1.00 0.10 C ATOM 313 CG LEU A 17 0.245 3.616 -2.209 1.00 0.10 C ATOM 314 CD1 LEU A 17 0.450 3.411 -0.722 1.00 0.12 C ATOM 315 CD2 LEU A 17 -1.224 3.842 -2.531 1.00 0.12 C ATOM 0 H LEU A 17 2.429 3.103 -3.873 1.00 0.10 H new ATOM 0 HA LEU A 17 0.309 4.823 -4.693 1.00 0.10 H new ATOM 0 HB2 LEU A 17 2.049 4.766 -2.215 1.00 0.10 H new ATOM 0 HB3 LEU A 17 0.590 5.719 -2.400 1.00 0.10 H new ATOM 0 HG LEU A 17 0.573 2.711 -2.721 1.00 0.10 H new ATOM 0 HD11 LEU A 17 -0.151 2.567 -0.385 1.00 0.12 H new ATOM 0 HD12 LEU A 17 1.503 3.209 -0.524 1.00 0.12 H new ATOM 0 HD13 LEU A 17 0.146 4.310 -0.186 1.00 0.12 H new ATOM 0 HD21 LEU A 17 -1.810 2.996 -2.172 1.00 0.12 H new ATOM 0 HD22 LEU A 17 -1.567 4.754 -2.043 1.00 0.12 H new ATOM 0 HD23 LEU A 17 -1.349 3.939 -3.609 1.00 0.12 H new ATOM 327 N ALA A 18 3.362 5.992 -4.518 1.00 0.08 N ATOM 328 CA ALA A 18 4.215 7.102 -4.893 1.00 0.10 C ATOM 329 C ALA A 18 4.071 7.365 -6.381 1.00 0.12 C ATOM 330 O ALA A 18 4.046 8.509 -6.830 1.00 0.14 O ATOM 331 CB ALA A 18 5.663 6.803 -4.539 1.00 0.11 C ATOM 0 H ALA A 18 3.862 5.170 -4.178 1.00 0.08 H new ATOM 0 HA ALA A 18 3.912 7.992 -4.342 1.00 0.10 H new ATOM 0 HB1 ALA A 18 6.290 7.647 -4.827 1.00 0.11 H new ATOM 0 HB2 ALA A 18 5.748 6.638 -3.465 1.00 0.11 H new ATOM 0 HB3 ALA A 18 5.990 5.910 -5.071 1.00 0.11 H new ATOM 337 N GLN A 19 3.969 6.282 -7.139 1.00 0.14 N ATOM 338 CA GLN A 19 3.805 6.365 -8.579 1.00 0.16 C ATOM 339 C GLN A 19 2.379 6.761 -8.910 1.00 0.16 C ATOM 340 O GLN A 19 2.120 7.411 -9.922 1.00 0.18 O ATOM 341 CB GLN A 19 4.135 5.027 -9.232 1.00 0.20 C ATOM 342 CG GLN A 19 5.582 4.612 -9.074 1.00 0.23 C ATOM 343 CD GLN A 19 6.004 3.583 -10.106 1.00 0.32 C ATOM 344 OE1 GLN A 19 5.510 3.583 -11.234 1.00 0.80 O ATOM 345 NE2 GLN A 19 6.912 2.695 -9.723 1.00 0.40 N ATOM 0 H GLN A 19 3.998 5.330 -6.775 1.00 0.14 H new ATOM 0 HA GLN A 19 4.490 7.120 -8.966 1.00 0.16 H new ATOM 0 HB2 GLN A 19 3.496 4.256 -8.802 1.00 0.20 H new ATOM 0 HB3 GLN A 19 3.896 5.083 -10.294 1.00 0.20 H new ATOM 0 HG2 GLN A 19 6.221 5.491 -9.159 1.00 0.23 H new ATOM 0 HG3 GLN A 19 5.733 4.204 -8.075 1.00 0.23 H new ATOM 0 HE21 GLN A 19 7.295 2.732 -8.778 1.00 0.40 H new ATOM 0 HE22 GLN A 19 7.227 1.975 -10.373 1.00 0.40 H new ATOM 354 N TYR A 20 1.456 6.362 -8.044 1.00 0.16 N ATOM 355 CA TYR A 20 0.055 6.688 -8.230 1.00 0.17 C ATOM 356 C TYR A 20 -0.116 8.197 -8.198 1.00 0.16 C ATOM 357 O TYR A 20 -0.974 8.760 -8.879 1.00 0.17 O ATOM 358 CB TYR A 20 -0.790 6.044 -7.136 1.00 0.19 C ATOM 359 CG TYR A 20 -2.247 6.410 -7.223 1.00 0.22 C ATOM 360 CD1 TYR A 20 -3.099 5.737 -8.084 1.00 0.26 C ATOM 361 CD2 TYR A 20 -2.767 7.435 -6.448 1.00 0.23 C ATOM 362 CE1 TYR A 20 -4.434 6.075 -8.172 1.00 0.30 C ATOM 363 CE2 TYR A 20 -4.100 7.780 -6.526 1.00 0.27 C ATOM 364 CZ TYR A 20 -4.931 7.097 -7.392 1.00 0.30 C ATOM 365 OH TYR A 20 -6.261 7.440 -7.477 1.00 0.36 O ATOM 0 H TYR A 20 1.656 5.813 -7.208 1.00 0.16 H new ATOM 0 HA TYR A 20 -0.278 6.303 -9.194 1.00 0.17 H new ATOM 0 HB2 TYR A 20 -0.689 4.960 -7.198 1.00 0.19 H new ATOM 0 HB3 TYR A 20 -0.403 6.345 -6.162 1.00 0.19 H new ATOM 0 HD1 TYR A 20 -2.712 4.935 -8.696 1.00 0.26 H new ATOM 0 HD2 TYR A 20 -2.118 7.972 -5.772 1.00 0.23 H new ATOM 0 HE1 TYR A 20 -5.086 5.542 -8.848 1.00 0.30 H new ATOM 0 HE2 TYR A 20 -4.491 8.579 -5.914 1.00 0.27 H new ATOM 0 HH TYR A 20 -6.448 8.179 -6.861 1.00 0.36 H new ATOM 375 N HIS A 21 0.716 8.840 -7.390 1.00 0.14 N ATOM 376 CA HIS A 21 0.698 10.284 -7.253 1.00 0.15 C ATOM 377 C HIS A 21 1.752 10.937 -8.147 1.00 0.16 C ATOM 378 O HIS A 21 1.811 12.162 -8.251 1.00 0.20 O ATOM 379 CB HIS A 21 0.940 10.668 -5.798 1.00 0.18 C ATOM 380 CG HIS A 21 -0.241 10.411 -4.917 1.00 0.19 C ATOM 381 ND1 HIS A 21 -1.249 11.331 -4.786 1.00 0.20 N ATOM 382 CD2 HIS A 21 -0.531 9.324 -4.161 1.00 0.21 C ATOM 383 CE1 HIS A 21 -2.127 10.791 -3.962 1.00 0.21 C ATOM 384 NE2 HIS A 21 -1.735 9.575 -3.554 1.00 0.23 N ATOM 0 H HIS A 21 1.418 8.375 -6.815 1.00 0.14 H new ATOM 0 HA HIS A 21 -0.282 10.644 -7.566 1.00 0.15 H new ATOM 0 HB2 HIS A 21 1.796 10.110 -5.419 1.00 0.18 H new ATOM 0 HB3 HIS A 21 1.201 11.725 -5.746 1.00 0.18 H new ATOM 0 HD2 HIS A 21 0.070 8.433 -4.057 1.00 0.21 H new ATOM 0 HE1 HIS A 21 -3.046 11.268 -3.655 1.00 0.21 H new ATOM 0 HE2 HIS A 21 -2.235 8.957 -2.916 1.00 0.23 H new ATOM 392 N ASN A 22 2.586 10.113 -8.786 1.00 0.15 N ATOM 393 CA ASN A 22 3.635 10.610 -9.666 1.00 0.18 C ATOM 394 C ASN A 22 4.746 11.245 -8.848 1.00 0.19 C ATOM 395 O ASN A 22 5.433 12.159 -9.306 1.00 0.21 O ATOM 396 CB ASN A 22 3.069 11.618 -10.667 1.00 0.20 C ATOM 397 CG ASN A 22 1.845 11.095 -11.394 1.00 0.87 C ATOM 398 OD1 ASN A 22 0.930 11.853 -11.718 1.00 1.35 O ATOM 399 ND2 ASN A 22 1.823 9.793 -11.662 1.00 1.28 N ATOM 0 H ASN A 22 2.551 9.097 -8.707 1.00 0.15 H new ATOM 0 HA ASN A 22 4.045 9.768 -10.224 1.00 0.18 H new ATOM 0 HB2 ASN A 22 2.810 12.538 -10.143 1.00 0.20 H new ATOM 0 HB3 ASN A 22 3.839 11.872 -11.396 1.00 0.20 H new ATOM 0 HD21 ASN A 22 1.027 9.387 -12.154 1.00 1.28 H new ATOM 0 HD22 ASN A 22 2.602 9.200 -11.376 1.00 1.28 H new ATOM 406 N VAL A 23 4.915 10.745 -7.632 1.00 0.19 N ATOM 407 CA VAL A 23 5.936 11.247 -6.733 1.00 0.22 C ATOM 408 C VAL A 23 7.129 10.300 -6.701 1.00 0.25 C ATOM 409 O VAL A 23 6.969 9.081 -6.641 1.00 0.35 O ATOM 410 CB VAL A 23 5.377 11.432 -5.309 1.00 0.23 C ATOM 411 CG1 VAL A 23 4.692 10.166 -4.841 1.00 0.26 C ATOM 412 CG2 VAL A 23 6.472 11.837 -4.337 1.00 0.26 C ATOM 0 H VAL A 23 4.352 9.987 -7.246 1.00 0.19 H new ATOM 0 HA VAL A 23 6.261 12.218 -7.106 1.00 0.22 H new ATOM 0 HB VAL A 23 4.642 12.236 -5.338 1.00 0.23 H new ATOM 0 HG11 VAL A 23 4.303 10.314 -3.834 1.00 0.26 H new ATOM 0 HG12 VAL A 23 3.870 9.926 -5.516 1.00 0.26 H new ATOM 0 HG13 VAL A 23 5.409 9.345 -4.836 1.00 0.26 H new ATOM 0 HG21 VAL A 23 6.047 11.960 -3.341 1.00 0.26 H new ATOM 0 HG22 VAL A 23 7.240 11.064 -4.311 1.00 0.26 H new ATOM 0 HG23 VAL A 23 6.916 12.778 -4.661 1.00 0.26 H new ATOM 422 N SER A 24 8.321 10.875 -6.741 1.00 0.22 N ATOM 423 CA SER A 24 9.547 10.093 -6.727 1.00 0.25 C ATOM 424 C SER A 24 9.566 9.132 -5.549 1.00 0.27 C ATOM 425 O SER A 24 8.964 9.393 -4.509 1.00 0.49 O ATOM 426 CB SER A 24 10.761 11.016 -6.663 1.00 0.35 C ATOM 427 OG SER A 24 10.822 11.863 -7.798 1.00 0.82 O ATOM 0 H SER A 24 8.465 11.884 -6.784 1.00 0.22 H new ATOM 0 HA SER A 24 9.587 9.511 -7.648 1.00 0.25 H new ATOM 0 HB2 SER A 24 10.714 11.620 -5.757 1.00 0.35 H new ATOM 0 HB3 SER A 24 11.671 10.420 -6.602 1.00 0.35 H new ATOM 0 HG SER A 24 11.608 12.445 -7.730 1.00 0.82 H new ATOM 433 N VAL A 25 10.260 8.016 -5.728 1.00 0.20 N ATOM 434 CA VAL A 25 10.376 7.011 -4.686 1.00 0.17 C ATOM 435 C VAL A 25 11.547 6.082 -4.963 1.00 0.18 C ATOM 436 O VAL A 25 11.480 5.224 -5.842 1.00 0.25 O ATOM 437 CB VAL A 25 9.089 6.175 -4.551 1.00 0.13 C ATOM 438 CG1 VAL A 25 8.722 5.541 -5.882 1.00 0.13 C ATOM 439 CG2 VAL A 25 9.251 5.112 -3.472 1.00 0.15 C ATOM 0 H VAL A 25 10.753 7.785 -6.591 1.00 0.20 H new ATOM 0 HA VAL A 25 10.543 7.543 -3.750 1.00 0.17 H new ATOM 0 HB VAL A 25 8.277 6.839 -4.255 1.00 0.13 H new ATOM 0 HG11 VAL A 25 7.810 4.955 -5.767 1.00 0.13 H new ATOM 0 HG12 VAL A 25 8.559 6.322 -6.625 1.00 0.13 H new ATOM 0 HG13 VAL A 25 9.533 4.891 -6.211 1.00 0.13 H new ATOM 0 HG21 VAL A 25 8.332 4.532 -3.392 1.00 0.15 H new ATOM 0 HG22 VAL A 25 10.076 4.450 -3.735 1.00 0.15 H new ATOM 0 HG23 VAL A 25 9.461 5.593 -2.517 1.00 0.15 H new ATOM 449 N ASN A 26 12.622 6.266 -4.214 1.00 0.15 N ATOM 450 CA ASN A 26 13.799 5.436 -4.370 1.00 0.15 C ATOM 451 C ASN A 26 13.789 4.329 -3.325 1.00 0.16 C ATOM 452 O ASN A 26 14.360 4.478 -2.246 1.00 0.17 O ATOM 453 CB ASN A 26 15.061 6.282 -4.239 1.00 0.16 C ATOM 454 CG ASN A 26 16.317 5.499 -4.549 1.00 0.18 C ATOM 455 OD1 ASN A 26 16.270 4.453 -5.196 1.00 0.20 O ATOM 456 ND2 ASN A 26 17.452 6.015 -4.104 1.00 0.20 N ATOM 0 H ASN A 26 12.701 6.983 -3.493 1.00 0.15 H new ATOM 0 HA ASN A 26 13.789 4.984 -5.362 1.00 0.15 H new ATOM 0 HB2 ASN A 26 14.994 7.136 -4.913 1.00 0.16 H new ATOM 0 HB3 ASN A 26 15.125 6.679 -3.226 1.00 0.16 H new ATOM 0 HD21 ASN A 26 18.336 5.543 -4.294 1.00 0.20 H new ATOM 0 HD22 ASN A 26 17.443 6.885 -3.571 1.00 0.20 H new ATOM 463 N PRO A 27 13.130 3.198 -3.633 1.00 0.17 N ATOM 464 CA PRO A 27 13.033 2.070 -2.713 1.00 0.19 C ATOM 465 C PRO A 27 14.371 1.755 -2.072 1.00 0.20 C ATOM 466 O PRO A 27 14.438 1.286 -0.938 1.00 0.25 O ATOM 467 CB PRO A 27 12.566 0.904 -3.595 1.00 0.23 C ATOM 468 CG PRO A 27 12.521 1.427 -4.994 1.00 0.30 C ATOM 469 CD PRO A 27 12.446 2.919 -4.898 1.00 0.19 C ATOM 0 HA PRO A 27 12.353 2.275 -1.887 1.00 0.19 H new ATOM 0 HB2 PRO A 27 13.251 0.060 -3.518 1.00 0.23 H new ATOM 0 HB3 PRO A 27 11.585 0.548 -3.281 1.00 0.23 H new ATOM 0 HG2 PRO A 27 13.407 1.120 -5.550 1.00 0.30 H new ATOM 0 HG3 PRO A 27 11.657 1.030 -5.527 1.00 0.30 H new ATOM 0 HD2 PRO A 27 12.940 3.404 -5.740 1.00 0.19 H new ATOM 0 HD3 PRO A 27 11.415 3.272 -4.887 1.00 0.19 H new ATOM 477 N GLU A 28 15.434 2.026 -2.807 1.00 0.18 N ATOM 478 CA GLU A 28 16.778 1.784 -2.311 1.00 0.19 C ATOM 479 C GLU A 28 17.077 2.730 -1.162 1.00 0.19 C ATOM 480 O GLU A 28 17.644 2.336 -0.145 1.00 0.21 O ATOM 481 CB GLU A 28 17.795 1.982 -3.430 1.00 0.21 C ATOM 482 CG GLU A 28 17.531 1.116 -4.648 1.00 0.23 C ATOM 483 CD GLU A 28 17.539 -0.364 -4.325 1.00 0.72 C ATOM 484 OE1 GLU A 28 16.476 -0.893 -3.936 1.00 1.24 O ATOM 485 OE2 GLU A 28 18.608 -0.995 -4.459 1.00 0.70 O ATOM 0 H GLU A 28 15.394 2.414 -3.750 1.00 0.18 H new ATOM 0 HA GLU A 28 16.846 0.756 -1.955 1.00 0.19 H new ATOM 0 HB2 GLU A 28 17.792 3.030 -3.731 1.00 0.21 H new ATOM 0 HB3 GLU A 28 18.792 1.763 -3.047 1.00 0.21 H new ATOM 0 HG2 GLU A 28 16.566 1.385 -5.078 1.00 0.23 H new ATOM 0 HG3 GLU A 28 18.286 1.322 -5.406 1.00 0.23 H new ATOM 492 N GLU A 29 16.679 3.981 -1.342 1.00 0.18 N ATOM 493 CA GLU A 29 16.881 5.008 -0.334 1.00 0.18 C ATOM 494 C GLU A 29 15.914 4.811 0.818 1.00 0.16 C ATOM 495 O GLU A 29 16.291 4.901 1.987 1.00 0.20 O ATOM 496 CB GLU A 29 16.674 6.387 -0.947 1.00 0.20 C ATOM 497 CG GLU A 29 16.779 7.519 0.052 1.00 0.22 C ATOM 498 CD GLU A 29 16.428 8.865 -0.551 1.00 1.02 C ATOM 499 OE1 GLU A 29 17.331 9.513 -1.122 1.00 0.95 O ATOM 500 OE2 GLU A 29 15.251 9.271 -0.453 1.00 1.85 O ATOM 0 H GLU A 29 16.210 4.310 -2.186 1.00 0.18 H new ATOM 0 HA GLU A 29 17.901 4.931 0.042 1.00 0.18 H new ATOM 0 HB2 GLU A 29 17.412 6.539 -1.734 1.00 0.20 H new ATOM 0 HB3 GLU A 29 15.692 6.421 -1.420 1.00 0.20 H new ATOM 0 HG2 GLU A 29 16.116 7.318 0.894 1.00 0.22 H new ATOM 0 HG3 GLU A 29 17.794 7.556 0.448 1.00 0.22 H new ATOM 507 N ILE A 30 14.661 4.537 0.474 1.00 0.14 N ATOM 508 CA ILE A 30 13.626 4.323 1.473 1.00 0.14 C ATOM 509 C ILE A 30 14.086 3.299 2.498 1.00 0.14 C ATOM 510 O ILE A 30 14.042 3.536 3.701 1.00 0.21 O ATOM 511 CB ILE A 30 12.321 3.833 0.823 1.00 0.17 C ATOM 512 CG1 ILE A 30 11.834 4.843 -0.214 1.00 0.22 C ATOM 513 CG2 ILE A 30 11.257 3.591 1.881 1.00 0.17 C ATOM 514 CD1 ILE A 30 11.573 6.215 0.363 1.00 0.28 C ATOM 0 H ILE A 30 14.339 4.458 -0.491 1.00 0.14 H new ATOM 0 HA ILE A 30 13.439 5.278 1.965 1.00 0.14 H new ATOM 0 HB ILE A 30 12.517 2.888 0.317 1.00 0.17 H new ATOM 0 HG12 ILE A 30 12.577 4.926 -1.007 1.00 0.22 H new ATOM 0 HG13 ILE A 30 10.918 4.469 -0.673 1.00 0.22 H new ATOM 0 HG21 ILE A 30 10.341 3.245 1.403 1.00 0.17 H new ATOM 0 HG22 ILE A 30 11.608 2.835 2.584 1.00 0.17 H new ATOM 0 HG23 ILE A 30 11.058 4.519 2.416 1.00 0.17 H new ATOM 0 HD11 ILE A 30 11.230 6.883 -0.427 1.00 0.28 H new ATOM 0 HD12 ILE A 30 10.808 6.145 1.136 1.00 0.28 H new ATOM 0 HD13 ILE A 30 12.492 6.608 0.797 1.00 0.28 H new ATOM 526 N LYS A 31 14.536 2.159 2.011 1.00 0.15 N ATOM 527 CA LYS A 31 15.014 1.111 2.891 1.00 0.20 C ATOM 528 C LYS A 31 16.273 1.561 3.609 1.00 0.21 C ATOM 529 O LYS A 31 16.546 1.158 4.738 1.00 0.26 O ATOM 530 CB LYS A 31 15.298 -0.156 2.102 1.00 0.26 C ATOM 531 CG LYS A 31 14.067 -0.742 1.445 1.00 0.80 C ATOM 532 CD LYS A 31 14.282 -2.195 1.072 1.00 0.82 C ATOM 533 CE LYS A 31 15.510 -2.365 0.193 1.00 0.65 C ATOM 534 NZ LYS A 31 15.763 -3.793 -0.141 1.00 1.35 N ATOM 0 H LYS A 31 14.581 1.936 1.017 1.00 0.15 H new ATOM 0 HA LYS A 31 14.239 0.902 3.628 1.00 0.20 H new ATOM 0 HB2 LYS A 31 16.042 0.061 1.335 1.00 0.26 H new ATOM 0 HB3 LYS A 31 15.735 -0.900 2.768 1.00 0.26 H new ATOM 0 HG2 LYS A 31 13.217 -0.660 2.122 1.00 0.80 H new ATOM 0 HG3 LYS A 31 13.820 -0.168 0.552 1.00 0.80 H new ATOM 0 HD2 LYS A 31 14.395 -2.792 1.977 1.00 0.82 H new ATOM 0 HD3 LYS A 31 13.403 -2.572 0.549 1.00 0.82 H new ATOM 0 HE2 LYS A 31 15.379 -1.795 -0.727 1.00 0.65 H new ATOM 0 HE3 LYS A 31 16.381 -1.952 0.703 1.00 0.65 H new ATOM 0 HZ1 LYS A 31 16.609 -3.864 -0.742 1.00 1.35 H new ATOM 0 HZ2 LYS A 31 15.914 -4.333 0.735 1.00 1.35 H new ATOM 0 HZ3 LYS A 31 14.943 -4.181 -0.650 1.00 1.35 H new ATOM 548 N HIS A 32 17.034 2.403 2.934 1.00 0.19 N ATOM 549 CA HIS A 32 18.276 2.922 3.475 1.00 0.23 C ATOM 550 C HIS A 32 18.007 3.864 4.639 1.00 0.23 C ATOM 551 O HIS A 32 18.823 3.997 5.551 1.00 0.29 O ATOM 552 CB HIS A 32 19.036 3.666 2.381 1.00 0.25 C ATOM 553 CG HIS A 32 20.510 3.740 2.614 1.00 0.32 C ATOM 554 ND1 HIS A 32 21.128 4.824 3.203 1.00 0.37 N ATOM 555 CD2 HIS A 32 21.493 2.854 2.331 1.00 0.38 C ATOM 556 CE1 HIS A 32 22.429 4.601 3.270 1.00 0.44 C ATOM 557 NE2 HIS A 32 22.675 3.413 2.749 1.00 0.44 N ATOM 0 H HIS A 32 16.810 2.745 2.000 1.00 0.19 H new ATOM 0 HA HIS A 32 18.873 2.085 3.838 1.00 0.23 H new ATOM 0 HB2 HIS A 32 18.853 3.174 1.426 1.00 0.25 H new ATOM 0 HB3 HIS A 32 18.639 4.678 2.300 1.00 0.25 H new ATOM 0 HD2 HIS A 32 21.370 1.888 1.864 1.00 0.38 H new ATOM 0 HE1 HIS A 32 23.165 5.276 3.681 1.00 0.44 H new ATOM 0 HE2 HIS A 32 23.595 2.980 2.670 1.00 0.44 H new ATOM 566 N ARG A 33 16.855 4.517 4.594 1.00 0.19 N ATOM 567 CA ARG A 33 16.472 5.472 5.624 1.00 0.21 C ATOM 568 C ARG A 33 15.494 4.892 6.636 1.00 0.21 C ATOM 569 O ARG A 33 15.576 5.188 7.827 1.00 0.27 O ATOM 570 CB ARG A 33 15.834 6.689 4.970 1.00 0.24 C ATOM 571 CG ARG A 33 16.771 7.441 4.050 1.00 0.29 C ATOM 572 CD ARG A 33 16.071 8.608 3.374 1.00 0.36 C ATOM 573 NE ARG A 33 15.444 9.506 4.339 1.00 0.47 N ATOM 574 CZ ARG A 33 16.096 10.467 4.985 1.00 0.64 C ATOM 575 NH1 ARG A 33 17.392 10.650 4.777 1.00 1.13 N ATOM 576 NH2 ARG A 33 15.450 11.247 5.842 1.00 0.71 N ATOM 0 H ARG A 33 16.166 4.402 3.851 1.00 0.19 H new ATOM 0 HA ARG A 33 17.381 5.742 6.162 1.00 0.21 H new ATOM 0 HB2 ARG A 33 14.959 6.370 4.403 1.00 0.24 H new ATOM 0 HB3 ARG A 33 15.480 7.366 5.748 1.00 0.24 H new ATOM 0 HG2 ARG A 33 17.625 7.808 4.620 1.00 0.29 H new ATOM 0 HG3 ARG A 33 17.162 6.762 3.292 1.00 0.29 H new ATOM 0 HD2 ARG A 33 16.792 9.165 2.776 1.00 0.36 H new ATOM 0 HD3 ARG A 33 15.314 8.228 2.688 1.00 0.36 H new ATOM 0 HE ARG A 33 14.449 9.389 4.528 1.00 0.47 H new ATOM 0 HH11 ARG A 33 17.892 10.052 4.119 1.00 1.13 H new ATOM 0 HH12 ARG A 33 17.889 11.389 5.275 1.00 1.13 H new ATOM 0 HH21 ARG A 33 14.453 11.109 6.005 1.00 0.71 H new ATOM 0 HH22 ARG A 33 15.951 11.985 6.338 1.00 0.71 H new ATOM 590 N PHE A 34 14.570 4.067 6.162 1.00 0.17 N ATOM 591 CA PHE A 34 13.547 3.509 7.034 1.00 0.21 C ATOM 592 C PHE A 34 13.701 2.006 7.253 1.00 0.22 C ATOM 593 O PHE A 34 13.430 1.509 8.346 1.00 0.31 O ATOM 594 CB PHE A 34 12.173 3.841 6.458 1.00 0.23 C ATOM 595 CG PHE A 34 12.004 5.313 6.195 1.00 0.21 C ATOM 596 CD1 PHE A 34 12.461 5.878 5.016 1.00 0.21 C ATOM 597 CD2 PHE A 34 11.404 6.135 7.135 1.00 0.29 C ATOM 598 CE1 PHE A 34 12.323 7.230 4.776 1.00 0.24 C ATOM 599 CE2 PHE A 34 11.264 7.489 6.902 1.00 0.29 C ATOM 600 CZ PHE A 34 11.724 8.038 5.721 1.00 0.23 C ATOM 0 H PHE A 34 14.508 3.772 5.188 1.00 0.17 H new ATOM 0 HA PHE A 34 13.661 3.962 8.019 1.00 0.21 H new ATOM 0 HB2 PHE A 34 12.028 3.289 5.529 1.00 0.23 H new ATOM 0 HB3 PHE A 34 11.401 3.507 7.151 1.00 0.23 H new ATOM 0 HD1 PHE A 34 12.932 5.251 4.273 1.00 0.21 H new ATOM 0 HD2 PHE A 34 11.042 5.712 8.060 1.00 0.29 H new ATOM 0 HE1 PHE A 34 12.683 7.655 3.851 1.00 0.24 H new ATOM 0 HE2 PHE A 34 10.795 8.119 7.643 1.00 0.29 H new ATOM 0 HZ PHE A 34 11.615 9.097 5.538 1.00 0.23 H new ATOM 610 N ASP A 35 14.134 1.280 6.230 1.00 0.19 N ATOM 611 CA ASP A 35 14.310 -0.163 6.368 1.00 0.22 C ATOM 612 C ASP A 35 15.759 -0.500 6.673 1.00 0.29 C ATOM 613 O ASP A 35 16.276 -1.530 6.241 1.00 0.34 O ATOM 614 CB ASP A 35 13.863 -0.899 5.109 1.00 0.23 C ATOM 615 CG ASP A 35 13.577 -2.360 5.377 1.00 0.28 C ATOM 616 OD1 ASP A 35 12.893 -2.652 6.379 1.00 1.10 O ATOM 617 OD2 ASP A 35 14.035 -3.213 4.587 1.00 0.94 O ATOM 0 H ASP A 35 14.367 1.656 5.311 1.00 0.19 H new ATOM 0 HA ASP A 35 13.685 -0.491 7.199 1.00 0.22 H new ATOM 0 HB2 ASP A 35 12.968 -0.422 4.709 1.00 0.23 H new ATOM 0 HB3 ASP A 35 14.637 -0.815 4.346 1.00 0.23 H new ATOM 622 N THR A 36 16.405 0.380 7.421 1.00 0.31 N ATOM 623 CA THR A 36 17.795 0.186 7.800 1.00 0.39 C ATOM 624 C THR A 36 18.005 -1.193 8.411 1.00 0.46 C ATOM 625 O THR A 36 19.110 -1.734 8.389 1.00 0.54 O ATOM 626 CB THR A 36 18.251 1.255 8.806 1.00 0.43 C ATOM 627 OG1 THR A 36 17.475 1.161 10.007 1.00 0.47 O ATOM 628 CG2 THR A 36 18.105 2.647 8.211 1.00 0.39 C ATOM 0 H THR A 36 15.987 1.239 7.779 1.00 0.31 H new ATOM 0 HA THR A 36 18.391 0.274 6.892 1.00 0.39 H new ATOM 0 HB THR A 36 19.301 1.082 9.039 1.00 0.43 H new ATOM 0 HG1 THR A 36 17.773 1.844 10.643 1.00 0.47 H new ATOM 0 HG21 THR A 36 18.433 3.390 8.938 1.00 0.39 H new ATOM 0 HG22 THR A 36 18.717 2.725 7.312 1.00 0.39 H new ATOM 0 HG23 THR A 36 17.061 2.826 7.955 1.00 0.39 H new ATOM 636 N ASP A 37 16.933 -1.754 8.959 1.00 0.45 N ATOM 637 CA ASP A 37 16.989 -3.071 9.572 1.00 0.51 C ATOM 638 C ASP A 37 16.946 -4.166 8.511 1.00 0.50 C ATOM 639 O ASP A 37 17.391 -5.290 8.744 1.00 0.58 O ATOM 640 CB ASP A 37 15.827 -3.245 10.551 1.00 0.51 C ATOM 641 CG ASP A 37 16.059 -2.517 11.860 1.00 1.04 C ATOM 642 OD1 ASP A 37 16.646 -3.123 12.781 1.00 0.98 O ATOM 643 OD2 ASP A 37 15.655 -1.340 11.964 1.00 1.71 O ATOM 0 H ASP A 37 16.013 -1.314 8.990 1.00 0.45 H new ATOM 0 HA ASP A 37 17.930 -3.156 10.115 1.00 0.51 H new ATOM 0 HB2 ASP A 37 14.910 -2.876 10.091 1.00 0.51 H new ATOM 0 HB3 ASP A 37 15.679 -4.306 10.750 1.00 0.51 H new ATOM 648 N GLY A 38 16.404 -3.828 7.343 1.00 0.43 N ATOM 649 CA GLY A 38 16.310 -4.790 6.264 1.00 0.46 C ATOM 650 C GLY A 38 15.262 -5.846 6.535 1.00 0.42 C ATOM 651 O GLY A 38 15.335 -6.958 6.011 1.00 0.46 O ATOM 0 H GLY A 38 16.029 -2.904 7.127 1.00 0.43 H new ATOM 0 HA2 GLY A 38 16.070 -4.271 5.336 1.00 0.46 H new ATOM 0 HA3 GLY A 38 17.278 -5.269 6.120 1.00 0.46 H new ATOM 655 N THR A 39 14.280 -5.490 7.354 1.00 0.35 N ATOM 656 CA THR A 39 13.207 -6.408 7.711 1.00 0.33 C ATOM 657 C THR A 39 11.857 -5.907 7.203 1.00 0.30 C ATOM 658 O THR A 39 10.807 -6.383 7.638 1.00 0.41 O ATOM 659 CB THR A 39 13.129 -6.603 9.236 1.00 0.35 C ATOM 660 OG1 THR A 39 12.019 -7.444 9.569 1.00 0.65 O ATOM 661 CG2 THR A 39 12.990 -5.263 9.945 1.00 0.64 C ATOM 0 H THR A 39 14.205 -4.568 7.785 1.00 0.35 H new ATOM 0 HA THR A 39 13.434 -7.363 7.237 1.00 0.33 H new ATOM 0 HB THR A 39 14.053 -7.078 9.567 1.00 0.35 H new ATOM 0 HG1 THR A 39 11.197 -7.063 9.196 1.00 0.65 H new ATOM 0 HG21 THR A 39 12.937 -5.425 11.022 1.00 0.64 H new ATOM 0 HG22 THR A 39 13.853 -4.638 9.714 1.00 0.64 H new ATOM 0 HG23 THR A 39 12.081 -4.765 9.607 1.00 0.64 H new ATOM 669 N GLY A 40 11.887 -4.947 6.284 1.00 0.22 N ATOM 670 CA GLY A 40 10.660 -4.401 5.742 1.00 0.21 C ATOM 671 C GLY A 40 10.256 -3.115 6.427 1.00 0.20 C ATOM 672 O GLY A 40 10.493 -2.939 7.623 1.00 0.32 O ATOM 0 H GLY A 40 12.741 -4.538 5.906 1.00 0.22 H new ATOM 0 HA2 GLY A 40 10.786 -4.218 4.675 1.00 0.21 H new ATOM 0 HA3 GLY A 40 9.860 -5.134 5.848 1.00 0.21 H new ATOM 676 N LEU A 41 9.645 -2.213 5.671 1.00 0.12 N ATOM 677 CA LEU A 41 9.215 -0.933 6.211 1.00 0.10 C ATOM 678 C LEU A 41 8.169 -1.112 7.298 1.00 0.10 C ATOM 679 O LEU A 41 7.150 -1.773 7.096 1.00 0.14 O ATOM 680 CB LEU A 41 8.649 -0.049 5.103 1.00 0.10 C ATOM 681 CG LEU A 41 9.686 0.529 4.146 1.00 0.11 C ATOM 682 CD1 LEU A 41 10.675 1.399 4.904 1.00 0.12 C ATOM 683 CD2 LEU A 41 10.405 -0.585 3.408 1.00 0.14 C ATOM 0 H LEU A 41 9.436 -2.345 4.681 1.00 0.12 H new ATOM 0 HA LEU A 41 10.090 -0.453 6.649 1.00 0.10 H new ATOM 0 HB2 LEU A 41 7.929 -0.631 4.527 1.00 0.10 H new ATOM 0 HB3 LEU A 41 8.100 0.774 5.560 1.00 0.10 H new ATOM 0 HG LEU A 41 9.175 1.150 3.410 1.00 0.11 H new ATOM 0 HD11 LEU A 41 11.410 1.805 4.209 1.00 0.12 H new ATOM 0 HD12 LEU A 41 10.143 2.217 5.389 1.00 0.12 H new ATOM 0 HD13 LEU A 41 11.183 0.799 5.659 1.00 0.12 H new ATOM 0 HD21 LEU A 41 11.142 -0.155 2.729 1.00 0.14 H new ATOM 0 HD22 LEU A 41 10.908 -1.232 4.127 1.00 0.14 H new ATOM 0 HD23 LEU A 41 9.683 -1.169 2.837 1.00 0.14 H new ATOM 695 N GLY A 42 8.430 -0.515 8.451 1.00 0.09 N ATOM 696 CA GLY A 42 7.492 -0.597 9.548 1.00 0.11 C ATOM 697 C GLY A 42 6.305 0.302 9.303 1.00 0.10 C ATOM 698 O GLY A 42 6.286 1.050 8.329 1.00 0.11 O ATOM 0 H GLY A 42 9.274 0.024 8.645 1.00 0.09 H new ATOM 0 HA2 GLY A 42 7.156 -1.627 9.669 1.00 0.11 H new ATOM 0 HA3 GLY A 42 7.985 -0.311 10.477 1.00 0.11 H new ATOM 702 N LEU A 43 5.311 0.241 10.170 1.00 0.12 N ATOM 703 CA LEU A 43 4.133 1.071 10.005 1.00 0.12 C ATOM 704 C LEU A 43 4.512 2.544 10.036 1.00 0.11 C ATOM 705 O LEU A 43 4.227 3.291 9.101 1.00 0.12 O ATOM 706 CB LEU A 43 3.102 0.760 11.094 1.00 0.14 C ATOM 707 CG LEU A 43 1.769 1.510 10.974 1.00 0.14 C ATOM 708 CD1 LEU A 43 1.865 2.875 11.632 1.00 0.14 C ATOM 709 CD2 LEU A 43 1.355 1.651 9.514 1.00 0.14 C ATOM 0 H LEU A 43 5.295 -0.368 10.988 1.00 0.12 H new ATOM 0 HA LEU A 43 3.688 0.850 9.035 1.00 0.12 H new ATOM 0 HB2 LEU A 43 2.899 -0.311 11.083 1.00 0.14 H new ATOM 0 HB3 LEU A 43 3.543 0.991 12.064 1.00 0.14 H new ATOM 0 HG LEU A 43 1.005 0.929 11.490 1.00 0.14 H new ATOM 0 HD11 LEU A 43 0.910 3.393 11.537 1.00 0.14 H new ATOM 0 HD12 LEU A 43 2.109 2.754 12.687 1.00 0.14 H new ATOM 0 HD13 LEU A 43 2.645 3.460 11.144 1.00 0.14 H new ATOM 0 HD21 LEU A 43 0.407 2.186 9.455 1.00 0.14 H new ATOM 0 HD22 LEU A 43 2.120 2.206 8.971 1.00 0.14 H new ATOM 0 HD23 LEU A 43 1.242 0.662 9.071 1.00 0.14 H new ATOM 721 N THR A 44 5.160 2.955 11.117 1.00 0.11 N ATOM 722 CA THR A 44 5.588 4.337 11.273 1.00 0.12 C ATOM 723 C THR A 44 6.741 4.658 10.331 1.00 0.12 C ATOM 724 O THR A 44 6.891 5.793 9.881 1.00 0.16 O ATOM 725 CB THR A 44 6.019 4.636 12.718 1.00 0.15 C ATOM 726 OG1 THR A 44 4.940 4.359 13.620 1.00 0.18 O ATOM 727 CG2 THR A 44 6.445 6.087 12.860 1.00 0.18 C ATOM 0 H THR A 44 5.401 2.349 11.901 1.00 0.11 H new ATOM 0 HA THR A 44 4.732 4.964 11.026 1.00 0.12 H new ATOM 0 HB THR A 44 6.867 3.997 12.963 1.00 0.15 H new ATOM 0 HG1 THR A 44 5.224 4.551 14.538 1.00 0.18 H new ATOM 0 HG21 THR A 44 6.746 6.279 13.890 1.00 0.18 H new ATOM 0 HG22 THR A 44 7.284 6.287 12.193 1.00 0.18 H new ATOM 0 HG23 THR A 44 5.611 6.738 12.599 1.00 0.18 H new ATOM 735 N SER A 45 7.550 3.650 10.034 1.00 0.11 N ATOM 736 CA SER A 45 8.691 3.821 9.146 1.00 0.13 C ATOM 737 C SER A 45 8.223 3.930 7.705 1.00 0.13 C ATOM 738 O SER A 45 8.829 4.625 6.889 1.00 0.19 O ATOM 739 CB SER A 45 9.665 2.652 9.301 1.00 0.17 C ATOM 740 OG SER A 45 10.481 2.812 10.448 1.00 0.31 O ATOM 0 H SER A 45 7.436 2.703 10.396 1.00 0.11 H new ATOM 0 HA SER A 45 9.208 4.742 9.416 1.00 0.13 H new ATOM 0 HB2 SER A 45 9.107 1.718 9.376 1.00 0.17 H new ATOM 0 HB3 SER A 45 10.292 2.578 8.413 1.00 0.17 H new ATOM 0 HG SER A 45 11.092 2.050 10.523 1.00 0.31 H new ATOM 746 N TRP A 46 7.138 3.232 7.404 1.00 0.10 N ATOM 747 CA TRP A 46 6.564 3.249 6.072 1.00 0.09 C ATOM 748 C TRP A 46 5.868 4.577 5.822 1.00 0.08 C ATOM 749 O TRP A 46 6.011 5.180 4.758 1.00 0.10 O ATOM 750 CB TRP A 46 5.565 2.105 5.919 1.00 0.09 C ATOM 751 CG TRP A 46 5.025 1.980 4.534 1.00 0.09 C ATOM 752 CD1 TRP A 46 5.347 1.026 3.619 1.00 0.11 C ATOM 753 CD2 TRP A 46 4.073 2.842 3.899 1.00 0.08 C ATOM 754 NE1 TRP A 46 4.654 1.238 2.456 1.00 0.12 N ATOM 755 CE2 TRP A 46 3.865 2.344 2.602 1.00 0.10 C ATOM 756 CE3 TRP A 46 3.375 3.983 4.301 1.00 0.08 C ATOM 757 CZ2 TRP A 46 2.993 2.944 1.702 1.00 0.10 C ATOM 758 CZ3 TRP A 46 2.507 4.579 3.406 1.00 0.08 C ATOM 759 CH2 TRP A 46 2.322 4.057 2.119 1.00 0.09 C ATOM 0 H TRP A 46 6.637 2.644 8.070 1.00 0.10 H new ATOM 0 HA TRP A 46 7.364 3.123 5.342 1.00 0.09 H new ATOM 0 HB2 TRP A 46 6.048 1.169 6.200 1.00 0.09 H new ATOM 0 HB3 TRP A 46 4.738 2.258 6.612 1.00 0.09 H new ATOM 0 HD1 TRP A 46 6.046 0.220 3.785 1.00 0.11 H new ATOM 0 HE1 TRP A 46 4.717 0.663 1.616 1.00 0.12 H new ATOM 0 HE3 TRP A 46 3.511 4.391 5.292 1.00 0.08 H new ATOM 0 HZ2 TRP A 46 2.851 2.544 0.709 1.00 0.10 H new ATOM 0 HZ3 TRP A 46 1.962 5.462 3.704 1.00 0.08 H new ATOM 0 HH2 TRP A 46 1.635 4.545 1.444 1.00 0.09 H new ATOM 770 N LEU A 47 5.112 5.025 6.817 1.00 0.08 N ATOM 771 CA LEU A 47 4.393 6.283 6.726 1.00 0.08 C ATOM 772 C LEU A 47 5.368 7.438 6.547 1.00 0.08 C ATOM 773 O LEU A 47 5.131 8.351 5.756 1.00 0.11 O ATOM 774 CB LEU A 47 3.543 6.494 7.979 1.00 0.09 C ATOM 775 CG LEU A 47 2.377 5.518 8.142 1.00 0.15 C ATOM 776 CD1 LEU A 47 1.750 5.667 9.517 1.00 0.60 C ATOM 777 CD2 LEU A 47 1.338 5.743 7.055 1.00 0.62 C ATOM 0 H LEU A 47 4.983 4.530 7.700 1.00 0.08 H new ATOM 0 HA LEU A 47 3.735 6.249 5.858 1.00 0.08 H new ATOM 0 HB2 LEU A 47 4.188 6.415 8.854 1.00 0.09 H new ATOM 0 HB3 LEU A 47 3.148 7.510 7.964 1.00 0.09 H new ATOM 0 HG LEU A 47 2.760 4.502 8.046 1.00 0.15 H new ATOM 0 HD11 LEU A 47 0.922 4.966 9.617 1.00 0.60 H new ATOM 0 HD12 LEU A 47 2.497 5.458 10.282 1.00 0.60 H new ATOM 0 HD13 LEU A 47 1.380 6.685 9.640 1.00 0.60 H new ATOM 0 HD21 LEU A 47 0.516 5.040 7.187 1.00 0.62 H new ATOM 0 HD22 LEU A 47 0.958 6.762 7.121 1.00 0.62 H new ATOM 0 HD23 LEU A 47 1.795 5.588 6.077 1.00 0.62 H new ATOM 789 N LEU A 48 6.466 7.387 7.291 1.00 0.08 N ATOM 790 CA LEU A 48 7.492 8.417 7.211 1.00 0.10 C ATOM 791 C LEU A 48 8.250 8.310 5.893 1.00 0.10 C ATOM 792 O LEU A 48 8.796 9.294 5.394 1.00 0.11 O ATOM 793 CB LEU A 48 8.455 8.290 8.390 1.00 0.12 C ATOM 794 CG LEU A 48 7.811 8.465 9.764 1.00 0.13 C ATOM 795 CD1 LEU A 48 8.680 7.844 10.848 1.00 0.17 C ATOM 796 CD2 LEU A 48 7.572 9.936 10.050 1.00 0.17 C ATOM 0 H LEU A 48 6.668 6.642 7.957 1.00 0.08 H new ATOM 0 HA LEU A 48 7.012 9.394 7.254 1.00 0.10 H new ATOM 0 HB2 LEU A 48 8.930 7.310 8.349 1.00 0.12 H new ATOM 0 HB3 LEU A 48 9.245 9.032 8.277 1.00 0.12 H new ATOM 0 HG LEU A 48 6.850 7.951 9.763 1.00 0.13 H new ATOM 0 HD11 LEU A 48 8.203 7.980 11.819 1.00 0.17 H new ATOM 0 HD12 LEU A 48 8.803 6.779 10.650 1.00 0.17 H new ATOM 0 HD13 LEU A 48 9.657 8.328 10.853 1.00 0.17 H new ATOM 0 HD21 LEU A 48 7.113 10.046 11.032 1.00 0.17 H new ATOM 0 HD22 LEU A 48 8.523 10.469 10.032 1.00 0.17 H new ATOM 0 HD23 LEU A 48 6.909 10.351 9.291 1.00 0.17 H new ATOM 808 N ALA A 49 8.276 7.103 5.333 1.00 0.10 N ATOM 809 CA ALA A 49 8.955 6.860 4.069 1.00 0.11 C ATOM 810 C ALA A 49 8.271 7.624 2.945 1.00 0.11 C ATOM 811 O ALA A 49 8.925 8.144 2.042 1.00 0.15 O ATOM 812 CB ALA A 49 8.979 5.370 3.763 1.00 0.11 C ATOM 0 H ALA A 49 7.833 6.278 5.738 1.00 0.10 H new ATOM 0 HA ALA A 49 9.983 7.214 4.150 1.00 0.11 H new ATOM 0 HB1 ALA A 49 9.490 5.201 2.815 1.00 0.11 H new ATOM 0 HB2 ALA A 49 9.507 4.844 4.558 1.00 0.11 H new ATOM 0 HB3 ALA A 49 7.957 4.996 3.696 1.00 0.11 H new ATOM 818 N ALA A 50 6.947 7.688 3.017 1.00 0.08 N ATOM 819 CA ALA A 50 6.161 8.396 2.020 1.00 0.08 C ATOM 820 C ALA A 50 6.346 9.897 2.166 1.00 0.10 C ATOM 821 O ALA A 50 6.502 10.618 1.179 1.00 0.13 O ATOM 822 CB ALA A 50 4.693 8.030 2.155 1.00 0.10 C ATOM 0 H ALA A 50 6.396 7.256 3.759 1.00 0.08 H new ATOM 0 HA ALA A 50 6.507 8.100 1.029 1.00 0.08 H new ATOM 0 HB1 ALA A 50 4.114 8.566 1.403 1.00 0.10 H new ATOM 0 HB2 ALA A 50 4.571 6.957 2.010 1.00 0.10 H new ATOM 0 HB3 ALA A 50 4.340 8.304 3.149 1.00 0.10 H new ATOM 828 N LYS A 51 6.327 10.361 3.410 1.00 0.09 N ATOM 829 CA LYS A 51 6.500 11.776 3.698 1.00 0.11 C ATOM 830 C LYS A 51 7.835 12.264 3.154 1.00 0.13 C ATOM 831 O LYS A 51 7.936 13.370 2.622 1.00 0.15 O ATOM 832 CB LYS A 51 6.425 12.024 5.203 1.00 0.14 C ATOM 833 CG LYS A 51 5.111 11.585 5.827 1.00 0.14 C ATOM 834 CD LYS A 51 5.091 11.845 7.326 1.00 0.21 C ATOM 835 CE LYS A 51 3.803 11.346 7.964 1.00 0.61 C ATOM 836 NZ LYS A 51 3.808 11.532 9.441 1.00 1.40 N ATOM 0 H LYS A 51 6.193 9.776 4.235 1.00 0.09 H new ATOM 0 HA LYS A 51 5.698 12.330 3.211 1.00 0.11 H new ATOM 0 HB2 LYS A 51 7.244 11.496 5.691 1.00 0.14 H new ATOM 0 HB3 LYS A 51 6.572 13.087 5.395 1.00 0.14 H new ATOM 0 HG2 LYS A 51 4.286 12.117 5.353 1.00 0.14 H new ATOM 0 HG3 LYS A 51 4.955 10.523 5.639 1.00 0.14 H new ATOM 0 HD2 LYS A 51 5.944 11.352 7.793 1.00 0.21 H new ATOM 0 HD3 LYS A 51 5.200 12.914 7.512 1.00 0.21 H new ATOM 0 HE2 LYS A 51 2.955 11.878 7.534 1.00 0.61 H new ATOM 0 HE3 LYS A 51 3.668 10.290 7.731 1.00 0.61 H new ATOM 0 HZ1 LYS A 51 2.914 11.180 9.838 1.00 1.40 H new ATOM 0 HZ2 LYS A 51 4.603 11.004 9.855 1.00 1.40 H new ATOM 0 HZ3 LYS A 51 3.911 12.543 9.663 1.00 1.40 H new ATOM 850 N SER A 52 8.858 11.429 3.294 1.00 0.12 N ATOM 851 CA SER A 52 10.187 11.771 2.802 1.00 0.15 C ATOM 852 C SER A 52 10.133 12.064 1.306 1.00 0.14 C ATOM 853 O SER A 52 10.964 12.801 0.776 1.00 0.16 O ATOM 854 CB SER A 52 11.172 10.632 3.077 1.00 0.17 C ATOM 855 OG SER A 52 12.465 10.945 2.588 1.00 1.23 O ATOM 0 H SER A 52 8.794 10.515 3.742 1.00 0.12 H new ATOM 0 HA SER A 52 10.531 12.662 3.327 1.00 0.15 H new ATOM 0 HB2 SER A 52 11.222 10.441 4.149 1.00 0.17 H new ATOM 0 HB3 SER A 52 10.814 9.716 2.607 1.00 0.17 H new ATOM 0 HG SER A 52 13.075 10.202 2.778 1.00 1.23 H new ATOM 861 N LEU A 53 9.145 11.478 0.636 1.00 0.12 N ATOM 862 CA LEU A 53 8.961 11.672 -0.796 1.00 0.12 C ATOM 863 C LEU A 53 8.039 12.854 -1.071 1.00 0.12 C ATOM 864 O LEU A 53 7.528 13.003 -2.178 1.00 0.15 O ATOM 865 CB LEU A 53 8.350 10.416 -1.416 1.00 0.13 C ATOM 866 CG LEU A 53 9.111 9.120 -1.150 1.00 0.12 C ATOM 867 CD1 LEU A 53 8.314 7.929 -1.655 1.00 0.13 C ATOM 868 CD2 LEU A 53 10.480 9.167 -1.806 1.00 0.14 C ATOM 0 H LEU A 53 8.456 10.861 1.067 1.00 0.12 H new ATOM 0 HA LEU A 53 9.938 11.872 -1.237 1.00 0.12 H new ATOM 0 HB2 LEU A 53 7.333 10.304 -1.041 1.00 0.13 H new ATOM 0 HB3 LEU A 53 8.278 10.561 -2.494 1.00 0.13 H new ATOM 0 HG LEU A 53 9.251 9.010 -0.075 1.00 0.12 H new ATOM 0 HD11 LEU A 53 8.868 7.011 -1.459 1.00 0.13 H new ATOM 0 HD12 LEU A 53 7.353 7.890 -1.141 1.00 0.13 H new ATOM 0 HD13 LEU A 53 8.148 8.031 -2.727 1.00 0.13 H new ATOM 0 HD21 LEU A 53 11.011 8.236 -1.607 1.00 0.14 H new ATOM 0 HD22 LEU A 53 10.364 9.296 -2.882 1.00 0.14 H new ATOM 0 HD23 LEU A 53 11.050 10.003 -1.400 1.00 0.14 H new ATOM 880 N GLU A 54 7.834 13.699 -0.068 1.00 0.12 N ATOM 881 CA GLU A 54 6.940 14.836 -0.217 1.00 0.13 C ATOM 882 C GLU A 54 5.517 14.341 -0.473 1.00 0.11 C ATOM 883 O GLU A 54 4.671 15.078 -0.981 1.00 0.13 O ATOM 884 CB GLU A 54 7.400 15.730 -1.367 1.00 0.17 C ATOM 885 CG GLU A 54 8.838 16.193 -1.230 1.00 0.23 C ATOM 886 CD GLU A 54 9.287 17.062 -2.389 1.00 0.63 C ATOM 887 OE1 GLU A 54 9.761 16.504 -3.401 1.00 1.14 O ATOM 888 OE2 GLU A 54 9.165 18.301 -2.285 1.00 0.59 O ATOM 0 H GLU A 54 8.272 13.618 0.850 1.00 0.12 H new ATOM 0 HA GLU A 54 6.957 15.421 0.702 1.00 0.13 H new ATOM 0 HB2 GLU A 54 7.288 15.188 -2.306 1.00 0.17 H new ATOM 0 HB3 GLU A 54 6.749 16.602 -1.423 1.00 0.17 H new ATOM 0 HG2 GLU A 54 8.949 16.750 -0.300 1.00 0.23 H new ATOM 0 HG3 GLU A 54 9.490 15.323 -1.160 1.00 0.23 H new ATOM 895 N LEU A 55 5.266 13.082 -0.112 1.00 0.11 N ATOM 896 CA LEU A 55 3.967 12.463 -0.297 1.00 0.13 C ATOM 897 C LEU A 55 3.224 12.386 1.032 1.00 0.17 C ATOM 898 O LEU A 55 3.802 12.016 2.054 1.00 0.33 O ATOM 899 CB LEU A 55 4.153 11.063 -0.886 1.00 0.20 C ATOM 900 CG LEU A 55 2.881 10.232 -1.039 1.00 0.38 C ATOM 901 CD1 LEU A 55 1.999 10.799 -2.141 1.00 0.69 C ATOM 902 CD2 LEU A 55 3.233 8.780 -1.326 1.00 0.72 C ATOM 0 H LEU A 55 5.961 12.469 0.315 1.00 0.11 H new ATOM 0 HA LEU A 55 3.374 13.066 -0.985 1.00 0.13 H new ATOM 0 HB2 LEU A 55 4.621 11.161 -1.866 1.00 0.20 H new ATOM 0 HB3 LEU A 55 4.850 10.513 -0.254 1.00 0.20 H new ATOM 0 HG LEU A 55 2.323 10.275 -0.103 1.00 0.38 H new ATOM 0 HD11 LEU A 55 1.098 10.193 -2.234 1.00 0.69 H new ATOM 0 HD12 LEU A 55 1.723 11.824 -1.895 1.00 0.69 H new ATOM 0 HD13 LEU A 55 2.543 10.787 -3.085 1.00 0.69 H new ATOM 0 HD21 LEU A 55 2.318 8.198 -1.433 1.00 0.72 H new ATOM 0 HD22 LEU A 55 3.810 8.721 -2.249 1.00 0.72 H new ATOM 0 HD23 LEU A 55 3.824 8.379 -0.502 1.00 0.72 H new ATOM 914 N LYS A 56 1.945 12.735 1.012 1.00 0.15 N ATOM 915 CA LYS A 56 1.134 12.715 2.221 1.00 0.16 C ATOM 916 C LYS A 56 0.584 11.321 2.487 1.00 0.16 C ATOM 917 O LYS A 56 0.012 10.686 1.603 1.00 0.20 O ATOM 918 CB LYS A 56 -0.013 13.719 2.108 1.00 0.18 C ATOM 919 CG LYS A 56 -0.833 13.852 3.380 1.00 0.61 C ATOM 920 CD LYS A 56 -1.945 14.877 3.221 1.00 0.62 C ATOM 921 CE LYS A 56 -2.826 14.945 4.458 1.00 1.18 C ATOM 922 NZ LYS A 56 -2.057 15.355 5.665 1.00 1.86 N ATOM 0 H LYS A 56 1.448 13.035 0.173 1.00 0.15 H new ATOM 0 HA LYS A 56 1.771 12.997 3.059 1.00 0.16 H new ATOM 0 HB2 LYS A 56 0.394 14.695 1.845 1.00 0.18 H new ATOM 0 HB3 LYS A 56 -0.670 13.417 1.292 1.00 0.18 H new ATOM 0 HG2 LYS A 56 -1.263 12.885 3.640 1.00 0.61 H new ATOM 0 HG3 LYS A 56 -0.183 14.144 4.205 1.00 0.61 H new ATOM 0 HD2 LYS A 56 -1.511 15.858 3.029 1.00 0.62 H new ATOM 0 HD3 LYS A 56 -2.554 14.622 2.354 1.00 0.62 H new ATOM 0 HE2 LYS A 56 -3.638 15.652 4.287 1.00 1.18 H new ATOM 0 HE3 LYS A 56 -3.283 13.971 4.632 1.00 1.18 H new ATOM 0 HZ1 LYS A 56 -2.714 15.537 6.450 1.00 1.86 H new ATOM 0 HZ2 LYS A 56 -1.400 14.595 5.933 1.00 1.86 H new ATOM 0 HZ3 LYS A 56 -1.519 16.220 5.456 1.00 1.86 H new ATOM 936 N VAL A 57 0.768 10.851 3.711 1.00 0.14 N ATOM 937 CA VAL A 57 0.293 9.535 4.104 1.00 0.14 C ATOM 938 C VAL A 57 -0.126 9.526 5.567 1.00 0.15 C ATOM 939 O VAL A 57 0.284 10.389 6.343 1.00 0.15 O ATOM 940 CB VAL A 57 1.372 8.463 3.879 1.00 0.12 C ATOM 941 CG1 VAL A 57 1.823 8.463 2.428 1.00 0.12 C ATOM 942 CG2 VAL A 57 2.554 8.688 4.810 1.00 0.13 C ATOM 0 H VAL A 57 1.245 11.365 4.452 1.00 0.14 H new ATOM 0 HA VAL A 57 -0.570 9.303 3.480 1.00 0.14 H new ATOM 0 HB VAL A 57 0.943 7.487 4.106 1.00 0.12 H new ATOM 0 HG11 VAL A 57 2.587 7.699 2.284 1.00 0.12 H new ATOM 0 HG12 VAL A 57 0.971 8.250 1.782 1.00 0.12 H new ATOM 0 HG13 VAL A 57 2.235 9.440 2.175 1.00 0.12 H new ATOM 0 HG21 VAL A 57 3.306 7.919 4.635 1.00 0.13 H new ATOM 0 HG22 VAL A 57 2.987 9.670 4.618 1.00 0.13 H new ATOM 0 HG23 VAL A 57 2.217 8.637 5.845 1.00 0.13 H new ATOM 952 N LYS A 58 -0.942 8.549 5.942 1.00 0.17 N ATOM 953 CA LYS A 58 -1.404 8.447 7.317 1.00 0.20 C ATOM 954 C LYS A 58 -2.186 7.162 7.552 1.00 0.16 C ATOM 955 O LYS A 58 -3.099 6.829 6.798 1.00 0.18 O ATOM 956 CB LYS A 58 -2.277 9.650 7.671 1.00 0.26 C ATOM 957 CG LYS A 58 -2.785 9.622 9.102 1.00 0.63 C ATOM 958 CD LYS A 58 -3.793 10.728 9.362 1.00 1.21 C ATOM 959 CE LYS A 58 -4.184 10.786 10.830 1.00 1.69 C ATOM 960 NZ LYS A 58 -4.687 9.474 11.326 1.00 2.33 N ATOM 0 H LYS A 58 -1.294 7.823 5.318 1.00 0.17 H new ATOM 0 HA LYS A 58 -0.523 8.432 7.959 1.00 0.20 H new ATOM 0 HB2 LYS A 58 -1.705 10.564 7.513 1.00 0.26 H new ATOM 0 HB3 LYS A 58 -3.128 9.685 6.991 1.00 0.26 H new ATOM 0 HG2 LYS A 58 -3.245 8.655 9.306 1.00 0.63 H new ATOM 0 HG3 LYS A 58 -1.945 9.727 9.789 1.00 0.63 H new ATOM 0 HD2 LYS A 58 -3.371 11.686 9.058 1.00 1.21 H new ATOM 0 HD3 LYS A 58 -4.682 10.563 8.753 1.00 1.21 H new ATOM 0 HE2 LYS A 58 -3.322 11.091 11.423 1.00 1.69 H new ATOM 0 HE3 LYS A 58 -4.953 11.546 10.971 1.00 1.69 H new ATOM 0 HZ1 LYS A 58 -5.068 9.589 12.287 1.00 2.33 H new ATOM 0 HZ2 LYS A 58 -5.438 9.129 10.695 1.00 2.33 H new ATOM 0 HZ3 LYS A 58 -3.906 8.787 11.343 1.00 2.33 H new ATOM 974 N GLN A 59 -1.814 6.446 8.606 1.00 0.15 N ATOM 975 CA GLN A 59 -2.486 5.209 8.965 1.00 0.13 C ATOM 976 C GLN A 59 -3.609 5.499 9.950 1.00 0.13 C ATOM 977 O GLN A 59 -3.413 6.215 10.932 1.00 0.16 O ATOM 978 CB GLN A 59 -1.491 4.223 9.575 1.00 0.16 C ATOM 979 CG GLN A 59 -2.092 2.854 9.856 1.00 0.20 C ATOM 980 CD GLN A 59 -2.135 2.510 11.334 1.00 0.44 C ATOM 981 OE1 GLN A 59 -1.981 1.349 11.713 1.00 1.13 O ATOM 982 NE2 GLN A 59 -2.364 3.510 12.178 1.00 0.36 N ATOM 0 H GLN A 59 -1.047 6.704 9.227 1.00 0.15 H new ATOM 0 HA GLN A 59 -2.909 4.762 8.065 1.00 0.13 H new ATOM 0 HB2 GLN A 59 -0.644 4.108 8.899 1.00 0.16 H new ATOM 0 HB3 GLN A 59 -1.102 4.639 10.505 1.00 0.16 H new ATOM 0 HG2 GLN A 59 -3.104 2.819 9.452 1.00 0.20 H new ATOM 0 HG3 GLN A 59 -1.512 2.095 9.330 1.00 0.20 H new ATOM 0 HE21 GLN A 59 -2.486 4.459 11.824 1.00 0.36 H new ATOM 0 HE22 GLN A 59 -2.418 3.329 13.180 1.00 0.36 H new ATOM 991 N VAL A 60 -4.783 4.948 9.685 1.00 0.13 N ATOM 992 CA VAL A 60 -5.931 5.174 10.550 1.00 0.16 C ATOM 993 C VAL A 60 -6.809 3.934 10.644 1.00 0.15 C ATOM 994 O VAL A 60 -6.754 3.052 9.788 1.00 0.18 O ATOM 995 CB VAL A 60 -6.781 6.353 10.042 1.00 0.20 C ATOM 996 CG1 VAL A 60 -7.270 6.085 8.628 1.00 0.22 C ATOM 997 CG2 VAL A 60 -7.951 6.616 10.978 1.00 0.23 C ATOM 0 H VAL A 60 -4.966 4.345 8.883 1.00 0.13 H new ATOM 0 HA VAL A 60 -5.541 5.408 11.540 1.00 0.16 H new ATOM 0 HB VAL A 60 -6.156 7.246 10.025 1.00 0.20 H new ATOM 0 HG11 VAL A 60 -7.869 6.928 8.284 1.00 0.22 H new ATOM 0 HG12 VAL A 60 -6.414 5.954 7.966 1.00 0.22 H new ATOM 0 HG13 VAL A 60 -7.878 5.180 8.619 1.00 0.22 H new ATOM 0 HG21 VAL A 60 -8.538 7.453 10.600 1.00 0.23 H new ATOM 0 HG22 VAL A 60 -8.580 5.727 11.033 1.00 0.23 H new ATOM 0 HG23 VAL A 60 -7.575 6.857 11.972 1.00 0.23 H new ATOM 1007 N LYS A 61 -7.621 3.877 11.693 1.00 0.19 N ATOM 1008 CA LYS A 61 -8.519 2.753 11.899 1.00 0.20 C ATOM 1009 C LYS A 61 -9.868 3.039 11.260 1.00 0.21 C ATOM 1010 O LYS A 61 -10.641 3.859 11.755 1.00 0.23 O ATOM 1011 CB LYS A 61 -8.700 2.476 13.391 1.00 0.23 C ATOM 1012 CG LYS A 61 -9.654 1.328 13.679 1.00 0.28 C ATOM 1013 CD LYS A 61 -10.278 1.442 15.063 1.00 0.37 C ATOM 1014 CE LYS A 61 -9.302 1.052 16.164 1.00 1.05 C ATOM 1015 NZ LYS A 61 -8.140 1.977 16.238 1.00 2.03 N ATOM 0 H LYS A 61 -7.674 4.598 12.413 1.00 0.19 H new ATOM 0 HA LYS A 61 -8.081 1.872 11.431 1.00 0.20 H new ATOM 0 HB2 LYS A 61 -7.729 2.251 13.832 1.00 0.23 H new ATOM 0 HB3 LYS A 61 -9.070 3.378 13.878 1.00 0.23 H new ATOM 0 HG2 LYS A 61 -10.442 1.313 12.926 1.00 0.28 H new ATOM 0 HG3 LYS A 61 -9.118 0.382 13.599 1.00 0.28 H new ATOM 0 HD2 LYS A 61 -10.616 2.465 15.225 1.00 0.37 H new ATOM 0 HD3 LYS A 61 -11.159 0.803 15.117 1.00 0.37 H new ATOM 0 HE2 LYS A 61 -9.821 1.046 17.122 1.00 1.05 H new ATOM 0 HE3 LYS A 61 -8.946 0.037 15.989 1.00 1.05 H new ATOM 0 HZ1 LYS A 61 -7.807 2.038 17.221 1.00 2.03 H new ATOM 0 HZ2 LYS A 61 -7.373 1.619 15.634 1.00 2.03 H new ATOM 0 HZ3 LYS A 61 -8.427 2.921 15.910 1.00 2.03 H new ATOM 1029 N LYS A 62 -10.143 2.360 10.159 1.00 0.20 N ATOM 1030 CA LYS A 62 -11.395 2.546 9.444 1.00 0.22 C ATOM 1031 C LYS A 62 -12.153 1.235 9.309 1.00 0.23 C ATOM 1032 O LYS A 62 -11.589 0.155 9.488 1.00 0.38 O ATOM 1033 CB LYS A 62 -11.123 3.134 8.060 1.00 0.23 C ATOM 1034 CG LYS A 62 -10.506 4.520 8.105 1.00 0.30 C ATOM 1035 CD LYS A 62 -11.481 5.543 8.665 1.00 0.50 C ATOM 1036 CE LYS A 62 -10.817 6.896 8.863 1.00 0.75 C ATOM 1037 NZ LYS A 62 -11.776 7.917 9.370 1.00 1.04 N ATOM 0 H LYS A 62 -9.515 1.674 9.740 1.00 0.20 H new ATOM 0 HA LYS A 62 -12.012 3.237 10.018 1.00 0.22 H new ATOM 0 HB2 LYS A 62 -10.457 2.466 7.514 1.00 0.23 H new ATOM 0 HB3 LYS A 62 -12.058 3.179 7.502 1.00 0.23 H new ATOM 0 HG2 LYS A 62 -9.605 4.499 8.719 1.00 0.30 H new ATOM 0 HG3 LYS A 62 -10.201 4.817 7.102 1.00 0.30 H new ATOM 0 HD2 LYS A 62 -12.328 5.648 7.988 1.00 0.50 H new ATOM 0 HD3 LYS A 62 -11.876 5.188 9.617 1.00 0.50 H new ATOM 0 HE2 LYS A 62 -9.990 6.795 9.565 1.00 0.75 H new ATOM 0 HE3 LYS A 62 -10.393 7.234 7.917 1.00 0.75 H new ATOM 0 HZ1 LYS A 62 -11.284 8.825 9.492 1.00 1.04 H new ATOM 0 HZ2 LYS A 62 -12.553 8.033 8.688 1.00 1.04 H new ATOM 0 HZ3 LYS A 62 -12.162 7.607 10.285 1.00 1.04 H new ATOM 1051 N THR A 63 -13.436 1.342 8.999 1.00 0.17 N ATOM 1052 CA THR A 63 -14.278 0.170 8.829 1.00 0.15 C ATOM 1053 C THR A 63 -14.364 -0.219 7.361 1.00 0.13 C ATOM 1054 O THR A 63 -14.367 0.642 6.481 1.00 0.15 O ATOM 1055 CB THR A 63 -15.699 0.411 9.368 1.00 0.20 C ATOM 1056 OG1 THR A 63 -16.294 1.530 8.701 1.00 0.24 O ATOM 1057 CG2 THR A 63 -15.671 0.663 10.869 1.00 0.24 C ATOM 0 H THR A 63 -13.917 2.231 8.860 1.00 0.17 H new ATOM 0 HA THR A 63 -13.820 -0.639 9.398 1.00 0.15 H new ATOM 0 HB THR A 63 -16.294 -0.482 9.176 1.00 0.20 H new ATOM 0 HG1 THR A 63 -17.199 1.675 9.049 1.00 0.24 H new ATOM 0 HG21 THR A 63 -16.686 0.831 11.229 1.00 0.24 H new ATOM 0 HG22 THR A 63 -15.245 -0.203 11.375 1.00 0.24 H new ATOM 0 HG23 THR A 63 -15.062 1.542 11.079 1.00 0.24 H new ATOM 1065 N ILE A 64 -14.435 -1.516 7.099 1.00 0.12 N ATOM 1066 CA ILE A 64 -14.513 -2.016 5.735 1.00 0.13 C ATOM 1067 C ILE A 64 -15.551 -1.250 4.921 1.00 0.17 C ATOM 1068 O ILE A 64 -15.291 -0.838 3.789 1.00 0.21 O ATOM 1069 CB ILE A 64 -14.863 -3.511 5.716 1.00 0.15 C ATOM 1070 CG1 ILE A 64 -13.840 -4.302 6.530 1.00 0.16 C ATOM 1071 CG2 ILE A 64 -14.924 -4.023 4.289 1.00 0.20 C ATOM 1072 CD1 ILE A 64 -14.006 -5.798 6.415 1.00 0.20 C ATOM 0 H ILE A 64 -14.440 -2.242 7.815 1.00 0.12 H new ATOM 0 HA ILE A 64 -13.531 -1.869 5.285 1.00 0.13 H new ATOM 0 HB ILE A 64 -15.845 -3.647 6.169 1.00 0.15 H new ATOM 0 HG12 ILE A 64 -12.837 -4.029 6.202 1.00 0.16 H new ATOM 0 HG13 ILE A 64 -13.921 -4.015 7.578 1.00 0.16 H new ATOM 0 HG21 ILE A 64 -15.173 -5.084 4.294 1.00 0.20 H new ATOM 0 HG22 ILE A 64 -15.687 -3.473 3.738 1.00 0.20 H new ATOM 0 HG23 ILE A 64 -13.956 -3.880 3.809 1.00 0.20 H new ATOM 0 HD11 ILE A 64 -13.247 -6.296 7.018 1.00 0.20 H new ATOM 0 HD12 ILE A 64 -14.996 -6.083 6.771 1.00 0.20 H new ATOM 0 HD13 ILE A 64 -13.895 -6.097 5.373 1.00 0.20 H new ATOM 1084 N ASP A 65 -16.723 -1.055 5.510 1.00 0.21 N ATOM 1085 CA ASP A 65 -17.804 -0.338 4.845 1.00 0.26 C ATOM 1086 C ASP A 65 -17.435 1.127 4.620 1.00 0.24 C ATOM 1087 O ASP A 65 -18.070 1.821 3.827 1.00 0.27 O ATOM 1088 CB ASP A 65 -19.087 -0.430 5.671 1.00 0.33 C ATOM 1089 CG ASP A 65 -20.234 0.343 5.049 1.00 1.34 C ATOM 1090 OD1 ASP A 65 -20.260 1.583 5.192 1.00 2.08 O ATOM 1091 OD2 ASP A 65 -21.105 -0.292 4.418 1.00 1.99 O ATOM 0 H ASP A 65 -16.950 -1.384 6.448 1.00 0.21 H new ATOM 0 HA ASP A 65 -17.969 -0.804 3.873 1.00 0.26 H new ATOM 0 HB2 ASP A 65 -19.373 -1.476 5.777 1.00 0.33 H new ATOM 0 HB3 ASP A 65 -18.898 -0.048 6.674 1.00 0.33 H new ATOM 1096 N ARG A 66 -16.405 1.592 5.323 1.00 0.20 N ATOM 1097 CA ARG A 66 -15.956 2.970 5.200 1.00 0.20 C ATOM 1098 C ARG A 66 -14.912 3.105 4.095 1.00 0.15 C ATOM 1099 O ARG A 66 -14.743 4.176 3.513 1.00 0.14 O ATOM 1100 CB ARG A 66 -15.374 3.447 6.531 1.00 0.24 C ATOM 1101 CG ARG A 66 -14.874 4.880 6.501 1.00 0.71 C ATOM 1102 CD ARG A 66 -16.013 5.864 6.299 1.00 0.66 C ATOM 1103 NE ARG A 66 -15.552 7.249 6.339 1.00 1.54 N ATOM 1104 CZ ARG A 66 -16.368 8.299 6.338 1.00 1.70 C ATOM 1105 NH1 ARG A 66 -17.682 8.122 6.303 1.00 0.95 N ATOM 1106 NH2 ARG A 66 -15.868 9.526 6.375 1.00 2.72 N ATOM 0 H ARG A 66 -15.867 1.031 5.984 1.00 0.20 H new ATOM 0 HA ARG A 66 -16.813 3.590 4.938 1.00 0.20 H new ATOM 0 HB2 ARG A 66 -16.136 3.354 7.305 1.00 0.24 H new ATOM 0 HB3 ARG A 66 -14.551 2.790 6.813 1.00 0.24 H new ATOM 0 HG2 ARG A 66 -14.358 5.106 7.434 1.00 0.71 H new ATOM 0 HG3 ARG A 66 -14.146 4.995 5.698 1.00 0.71 H new ATOM 0 HD2 ARG A 66 -16.495 5.670 5.341 1.00 0.66 H new ATOM 0 HD3 ARG A 66 -16.767 5.710 7.071 1.00 0.66 H new ATOM 0 HE ARG A 66 -14.547 7.421 6.369 1.00 1.54 H new ATOM 0 HH11 ARG A 66 -18.069 7.179 6.277 1.00 0.95 H new ATOM 0 HH12 ARG A 66 -18.305 8.929 6.302 1.00 0.95 H new ATOM 0 HH21 ARG A 66 -14.858 9.664 6.404 1.00 2.72 H new ATOM 0 HH22 ARG A 66 -16.493 10.332 6.374 1.00 2.72 H new ATOM 1120 N LEU A 67 -14.217 2.009 3.811 1.00 0.13 N ATOM 1121 CA LEU A 67 -13.187 1.997 2.782 1.00 0.11 C ATOM 1122 C LEU A 67 -13.738 2.444 1.436 1.00 0.13 C ATOM 1123 O LEU A 67 -12.987 2.854 0.552 1.00 0.14 O ATOM 1124 CB LEU A 67 -12.583 0.599 2.663 1.00 0.11 C ATOM 1125 CG LEU A 67 -11.400 0.318 3.597 1.00 0.12 C ATOM 1126 CD1 LEU A 67 -11.619 0.937 4.971 1.00 0.12 C ATOM 1127 CD2 LEU A 67 -11.179 -1.178 3.723 1.00 0.15 C ATOM 0 H LEU A 67 -14.350 1.114 4.282 1.00 0.13 H new ATOM 0 HA LEU A 67 -12.411 2.703 3.077 1.00 0.11 H new ATOM 0 HB2 LEU A 67 -13.364 -0.135 2.861 1.00 0.11 H new ATOM 0 HB3 LEU A 67 -12.257 0.448 1.634 1.00 0.11 H new ATOM 0 HG LEU A 67 -10.511 0.775 3.163 1.00 0.12 H new ATOM 0 HD11 LEU A 67 -10.762 0.719 5.609 1.00 0.12 H new ATOM 0 HD12 LEU A 67 -11.731 2.016 4.870 1.00 0.12 H new ATOM 0 HD13 LEU A 67 -12.520 0.519 5.419 1.00 0.12 H new ATOM 0 HD21 LEU A 67 -10.337 -1.367 4.388 1.00 0.15 H new ATOM 0 HD22 LEU A 67 -12.075 -1.645 4.131 1.00 0.15 H new ATOM 0 HD23 LEU A 67 -10.966 -1.598 2.740 1.00 0.15 H new ATOM 1139 N ASN A 68 -15.050 2.353 1.277 1.00 0.15 N ATOM 1140 CA ASN A 68 -15.688 2.765 0.040 1.00 0.19 C ATOM 1141 C ASN A 68 -15.750 4.293 -0.056 1.00 0.19 C ATOM 1142 O ASN A 68 -16.077 4.842 -1.109 1.00 0.22 O ATOM 1143 CB ASN A 68 -17.097 2.174 -0.047 1.00 0.25 C ATOM 1144 CG ASN A 68 -17.672 2.237 -1.449 1.00 0.88 C ATOM 1145 OD1 ASN A 68 -17.351 3.132 -2.229 1.00 1.69 O ATOM 1146 ND2 ASN A 68 -18.530 1.280 -1.777 1.00 0.83 N ATOM 0 H ASN A 68 -15.690 1.998 1.988 1.00 0.15 H new ATOM 0 HA ASN A 68 -15.094 2.392 -0.794 1.00 0.19 H new ATOM 0 HB2 ASN A 68 -17.072 1.136 0.285 1.00 0.25 H new ATOM 0 HB3 ASN A 68 -17.755 2.712 0.636 1.00 0.25 H new ATOM 0 HD21 ASN A 68 -18.950 1.268 -2.706 1.00 0.83 H new ATOM 0 HD22 ASN A 68 -18.769 0.556 -1.100 1.00 0.83 H new ATOM 1153 N PHE A 69 -15.431 4.980 1.043 1.00 0.17 N ATOM 1154 CA PHE A 69 -15.468 6.437 1.062 1.00 0.18 C ATOM 1155 C PHE A 69 -14.104 7.041 1.402 1.00 0.15 C ATOM 1156 O PHE A 69 -13.914 8.252 1.283 1.00 0.18 O ATOM 1157 CB PHE A 69 -16.514 6.921 2.066 1.00 0.22 C ATOM 1158 CG PHE A 69 -17.836 6.224 1.925 1.00 0.25 C ATOM 1159 CD1 PHE A 69 -18.098 5.062 2.630 1.00 0.27 C ATOM 1160 CD2 PHE A 69 -18.816 6.728 1.084 1.00 0.32 C ATOM 1161 CE1 PHE A 69 -19.309 4.414 2.502 1.00 0.31 C ATOM 1162 CE2 PHE A 69 -20.030 6.083 0.951 1.00 0.36 C ATOM 1163 CZ PHE A 69 -20.277 4.925 1.661 1.00 0.34 C ATOM 0 H PHE A 69 -15.147 4.551 1.924 1.00 0.17 H new ATOM 0 HA PHE A 69 -15.737 6.770 0.060 1.00 0.18 H new ATOM 0 HB2 PHE A 69 -16.136 6.768 3.077 1.00 0.22 H new ATOM 0 HB3 PHE A 69 -16.661 7.994 1.939 1.00 0.22 H new ATOM 0 HD1 PHE A 69 -17.344 4.657 3.289 1.00 0.27 H new ATOM 0 HD2 PHE A 69 -18.628 7.634 0.527 1.00 0.32 H new ATOM 0 HE1 PHE A 69 -19.499 3.508 3.059 1.00 0.31 H new ATOM 0 HE2 PHE A 69 -20.786 6.484 0.292 1.00 0.36 H new ATOM 0 HZ PHE A 69 -21.226 4.420 1.559 1.00 0.34 H new ATOM 1173 N ILE A 70 -13.154 6.207 1.824 1.00 0.12 N ATOM 1174 CA ILE A 70 -11.824 6.698 2.173 1.00 0.11 C ATOM 1175 C ILE A 70 -11.024 7.041 0.926 1.00 0.12 C ATOM 1176 O ILE A 70 -11.455 6.775 -0.196 1.00 0.13 O ATOM 1177 CB ILE A 70 -11.028 5.678 3.013 1.00 0.11 C ATOM 1178 CG1 ILE A 70 -10.761 4.413 2.202 1.00 0.11 C ATOM 1179 CG2 ILE A 70 -11.768 5.349 4.300 1.00 0.13 C ATOM 1180 CD1 ILE A 70 -10.028 3.344 2.980 1.00 0.15 C ATOM 0 H ILE A 70 -13.279 5.200 1.931 1.00 0.12 H new ATOM 0 HA ILE A 70 -11.977 7.596 2.772 1.00 0.11 H new ATOM 0 HB ILE A 70 -10.069 6.123 3.279 1.00 0.11 H new ATOM 0 HG12 ILE A 70 -11.710 4.009 1.850 1.00 0.11 H new ATOM 0 HG13 ILE A 70 -10.178 4.673 1.319 1.00 0.11 H new ATOM 0 HG21 ILE A 70 -11.190 4.628 4.878 1.00 0.13 H new ATOM 0 HG22 ILE A 70 -11.903 6.259 4.885 1.00 0.13 H new ATOM 0 HG23 ILE A 70 -12.743 4.924 4.061 1.00 0.13 H new ATOM 0 HD11 ILE A 70 -9.872 2.473 2.343 1.00 0.15 H new ATOM 0 HD12 ILE A 70 -9.064 3.731 3.310 1.00 0.15 H new ATOM 0 HD13 ILE A 70 -10.620 3.056 3.849 1.00 0.15 H new ATOM 1192 N SER A 71 -9.854 7.628 1.134 1.00 0.12 N ATOM 1193 CA SER A 71 -8.991 8.027 0.031 1.00 0.14 C ATOM 1194 C SER A 71 -8.391 6.818 -0.674 1.00 0.13 C ATOM 1195 O SER A 71 -7.357 6.294 -0.259 1.00 0.15 O ATOM 1196 CB SER A 71 -7.875 8.938 0.538 1.00 0.17 C ATOM 1197 OG SER A 71 -7.034 9.354 -0.524 1.00 1.14 O ATOM 0 H SER A 71 -9.480 7.839 2.059 1.00 0.12 H new ATOM 0 HA SER A 71 -9.603 8.569 -0.690 1.00 0.14 H new ATOM 0 HB2 SER A 71 -8.308 9.811 1.027 1.00 0.17 H new ATOM 0 HB3 SER A 71 -7.285 8.412 1.289 1.00 0.17 H new ATOM 0 HG SER A 71 -6.104 9.375 -0.216 1.00 1.14 H new ATOM 1203 N LEU A 72 -9.046 6.384 -1.742 1.00 0.12 N ATOM 1204 CA LEU A 72 -8.572 5.252 -2.524 1.00 0.12 C ATOM 1205 C LEU A 72 -7.736 5.750 -3.706 1.00 0.13 C ATOM 1206 O LEU A 72 -7.993 6.830 -4.236 1.00 0.15 O ATOM 1207 CB LEU A 72 -9.754 4.417 -3.025 1.00 0.13 C ATOM 1208 CG LEU A 72 -9.814 2.980 -2.498 1.00 0.15 C ATOM 1209 CD1 LEU A 72 -9.677 2.953 -0.984 1.00 0.17 C ATOM 1210 CD2 LEU A 72 -11.113 2.313 -2.925 1.00 0.16 C ATOM 0 H LEU A 72 -9.910 6.801 -2.087 1.00 0.12 H new ATOM 0 HA LEU A 72 -7.949 4.622 -1.889 1.00 0.12 H new ATOM 0 HB2 LEU A 72 -10.678 4.925 -2.751 1.00 0.13 H new ATOM 0 HB3 LEU A 72 -9.719 4.385 -4.114 1.00 0.13 H new ATOM 0 HG LEU A 72 -8.979 2.425 -2.926 1.00 0.15 H new ATOM 0 HD11 LEU A 72 -9.723 1.922 -0.633 1.00 0.17 H new ATOM 0 HD12 LEU A 72 -8.721 3.392 -0.697 1.00 0.17 H new ATOM 0 HD13 LEU A 72 -10.489 3.525 -0.535 1.00 0.17 H new ATOM 0 HD21 LEU A 72 -11.141 1.293 -2.543 1.00 0.16 H new ATOM 0 HD22 LEU A 72 -11.958 2.873 -2.525 1.00 0.16 H new ATOM 0 HD23 LEU A 72 -11.172 2.295 -4.013 1.00 0.16 H new ATOM 1222 N PRO A 73 -6.723 4.977 -4.141 1.00 0.13 N ATOM 1223 CA PRO A 73 -6.380 3.681 -3.549 1.00 0.11 C ATOM 1224 C PRO A 73 -5.700 3.821 -2.193 1.00 0.10 C ATOM 1225 O PRO A 73 -4.799 4.640 -2.019 1.00 0.13 O ATOM 1226 CB PRO A 73 -5.420 3.075 -4.572 1.00 0.12 C ATOM 1227 CG PRO A 73 -4.774 4.250 -5.213 1.00 0.19 C ATOM 1228 CD PRO A 73 -5.821 5.327 -5.252 1.00 0.14 C ATOM 0 HA PRO A 73 -7.263 3.072 -3.356 1.00 0.11 H new ATOM 0 HB2 PRO A 73 -4.684 2.429 -4.093 1.00 0.12 H new ATOM 0 HB3 PRO A 73 -5.951 2.465 -5.303 1.00 0.12 H new ATOM 0 HG2 PRO A 73 -3.902 4.574 -4.645 1.00 0.19 H new ATOM 0 HG3 PRO A 73 -4.428 4.006 -6.217 1.00 0.19 H new ATOM 0 HD2 PRO A 73 -5.383 6.316 -5.116 1.00 0.14 H new ATOM 0 HD3 PRO A 73 -6.347 5.340 -6.206 1.00 0.14 H new ATOM 1236 N ALA A 74 -6.140 3.013 -1.237 1.00 0.09 N ATOM 1237 CA ALA A 74 -5.582 3.043 0.108 1.00 0.09 C ATOM 1238 C ALA A 74 -4.732 1.805 0.375 1.00 0.08 C ATOM 1239 O ALA A 74 -4.861 0.794 -0.314 1.00 0.14 O ATOM 1240 CB ALA A 74 -6.697 3.155 1.134 1.00 0.09 C ATOM 0 H ALA A 74 -6.884 2.327 -1.369 1.00 0.09 H new ATOM 0 HA ALA A 74 -4.937 3.917 0.192 1.00 0.09 H new ATOM 0 HB1 ALA A 74 -6.269 3.177 2.136 1.00 0.09 H new ATOM 0 HB2 ALA A 74 -7.260 4.072 0.960 1.00 0.09 H new ATOM 0 HB3 ALA A 74 -7.363 2.297 1.043 1.00 0.09 H new ATOM 1246 N LEU A 75 -3.863 1.889 1.378 1.00 0.07 N ATOM 1247 CA LEU A 75 -2.995 0.769 1.724 1.00 0.07 C ATOM 1248 C LEU A 75 -3.410 0.131 3.043 1.00 0.07 C ATOM 1249 O LEU A 75 -3.281 0.735 4.105 1.00 0.10 O ATOM 1250 CB LEU A 75 -1.544 1.234 1.818 1.00 0.08 C ATOM 1251 CG LEU A 75 -0.569 0.192 2.369 1.00 0.07 C ATOM 1252 CD1 LEU A 75 -0.360 -0.927 1.362 1.00 0.07 C ATOM 1253 CD2 LEU A 75 0.757 0.845 2.729 1.00 0.09 C ATOM 0 H LEU A 75 -3.742 2.716 1.962 1.00 0.07 H new ATOM 0 HA LEU A 75 -3.090 0.023 0.935 1.00 0.07 H new ATOM 0 HB2 LEU A 75 -1.209 1.535 0.825 1.00 0.08 H new ATOM 0 HB3 LEU A 75 -1.502 2.120 2.451 1.00 0.08 H new ATOM 0 HG LEU A 75 -0.997 -0.239 3.274 1.00 0.07 H new ATOM 0 HD11 LEU A 75 0.336 -1.659 1.771 1.00 0.07 H new ATOM 0 HD12 LEU A 75 -1.314 -1.411 1.153 1.00 0.07 H new ATOM 0 HD13 LEU A 75 0.048 -0.514 0.439 1.00 0.07 H new ATOM 0 HD21 LEU A 75 1.440 0.091 3.120 1.00 0.09 H new ATOM 0 HD22 LEU A 75 1.191 1.302 1.840 1.00 0.09 H new ATOM 0 HD23 LEU A 75 0.591 1.611 3.486 1.00 0.09 H new ATOM 1265 N VAL A 76 -3.894 -1.101 2.969 1.00 0.06 N ATOM 1266 CA VAL A 76 -4.317 -1.824 4.157 1.00 0.07 C ATOM 1267 C VAL A 76 -3.117 -2.454 4.851 1.00 0.07 C ATOM 1268 O VAL A 76 -2.650 -3.526 4.464 1.00 0.08 O ATOM 1269 CB VAL A 76 -5.340 -2.921 3.813 1.00 0.08 C ATOM 1270 CG1 VAL A 76 -4.786 -3.841 2.741 1.00 0.08 C ATOM 1271 CG2 VAL A 76 -5.724 -3.710 5.055 1.00 0.10 C ATOM 0 H VAL A 76 -4.003 -1.620 2.098 1.00 0.06 H new ATOM 0 HA VAL A 76 -4.790 -1.105 4.826 1.00 0.07 H new ATOM 0 HB VAL A 76 -6.240 -2.443 3.426 1.00 0.08 H new ATOM 0 HG11 VAL A 76 -5.521 -4.612 2.508 1.00 0.08 H new ATOM 0 HG12 VAL A 76 -4.569 -3.263 1.843 1.00 0.08 H new ATOM 0 HG13 VAL A 76 -3.870 -4.310 3.101 1.00 0.08 H new ATOM 0 HG21 VAL A 76 -6.448 -4.480 4.788 1.00 0.10 H new ATOM 0 HG22 VAL A 76 -4.835 -4.179 5.477 1.00 0.10 H new ATOM 0 HG23 VAL A 76 -6.164 -3.038 5.791 1.00 0.10 H new ATOM 1281 N TRP A 77 -2.621 -1.785 5.880 1.00 0.07 N ATOM 1282 CA TRP A 77 -1.472 -2.279 6.619 1.00 0.08 C ATOM 1283 C TRP A 77 -1.739 -3.669 7.178 1.00 0.09 C ATOM 1284 O TRP A 77 -2.805 -3.934 7.734 1.00 0.13 O ATOM 1285 CB TRP A 77 -1.122 -1.325 7.757 1.00 0.10 C ATOM 1286 CG TRP A 77 0.251 -1.543 8.302 1.00 0.09 C ATOM 1287 CD1 TRP A 77 0.581 -2.064 9.518 1.00 0.10 C ATOM 1288 CD2 TRP A 77 1.485 -1.247 7.641 1.00 0.09 C ATOM 1289 NE1 TRP A 77 1.946 -2.102 9.657 1.00 0.11 N ATOM 1290 CE2 TRP A 77 2.524 -1.606 8.517 1.00 0.10 C ATOM 1291 CE3 TRP A 77 1.810 -0.710 6.394 1.00 0.09 C ATOM 1292 CZ2 TRP A 77 3.865 -1.445 8.185 1.00 0.11 C ATOM 1293 CZ3 TRP A 77 3.140 -0.553 6.063 1.00 0.11 C ATOM 1294 CH2 TRP A 77 4.155 -0.917 6.957 1.00 0.12 C ATOM 0 H TRP A 77 -2.996 -0.900 6.221 1.00 0.07 H new ATOM 0 HA TRP A 77 -0.631 -2.338 5.929 1.00 0.08 H new ATOM 0 HB2 TRP A 77 -1.207 -0.298 7.401 1.00 0.10 H new ATOM 0 HB3 TRP A 77 -1.849 -1.445 8.560 1.00 0.10 H new ATOM 0 HD1 TRP A 77 -0.127 -2.398 10.262 1.00 0.10 H new ATOM 0 HE1 TRP A 77 2.449 -2.444 10.476 1.00 0.11 H new ATOM 0 HE3 TRP A 77 1.034 -0.422 5.700 1.00 0.09 H new ATOM 0 HZ2 TRP A 77 4.649 -1.727 8.872 1.00 0.11 H new ATOM 0 HZ3 TRP A 77 3.403 -0.143 5.099 1.00 0.11 H new ATOM 0 HH2 TRP A 77 5.187 -0.778 6.671 1.00 0.12 H new ATOM 1305 N ARG A 78 -0.765 -4.555 7.022 1.00 0.10 N ATOM 1306 CA ARG A 78 -0.887 -5.919 7.513 1.00 0.13 C ATOM 1307 C ARG A 78 0.259 -6.261 8.451 1.00 0.15 C ATOM 1308 O ARG A 78 1.422 -6.290 8.050 1.00 0.17 O ATOM 1309 CB ARG A 78 -0.926 -6.905 6.347 1.00 0.16 C ATOM 1310 CG ARG A 78 -2.295 -7.018 5.696 1.00 0.19 C ATOM 1311 CD ARG A 78 -3.254 -7.827 6.553 1.00 0.30 C ATOM 1312 NE ARG A 78 -2.749 -9.173 6.819 1.00 0.23 N ATOM 1313 CZ ARG A 78 -3.379 -10.058 7.584 1.00 0.33 C ATOM 1314 NH1 ARG A 78 -4.534 -9.745 8.154 1.00 0.79 N ATOM 1315 NH2 ARG A 78 -2.854 -11.260 7.780 1.00 0.38 N ATOM 0 H ARG A 78 0.120 -4.352 6.558 1.00 0.10 H new ATOM 0 HA ARG A 78 -1.821 -5.996 8.069 1.00 0.13 H new ATOM 0 HB2 ARG A 78 -0.199 -6.596 5.596 1.00 0.16 H new ATOM 0 HB3 ARG A 78 -0.619 -7.889 6.702 1.00 0.16 H new ATOM 0 HG2 ARG A 78 -2.704 -6.021 5.532 1.00 0.19 H new ATOM 0 HG3 ARG A 78 -2.196 -7.487 4.717 1.00 0.19 H new ATOM 0 HD2 ARG A 78 -3.421 -7.309 7.498 1.00 0.30 H new ATOM 0 HD3 ARG A 78 -4.219 -7.895 6.052 1.00 0.30 H new ATOM 0 HE ARG A 78 -1.864 -9.448 6.394 1.00 0.23 H new ATOM 0 HH11 ARG A 78 -4.942 -8.822 8.006 1.00 0.79 H new ATOM 0 HH12 ARG A 78 -5.015 -10.427 8.741 1.00 0.79 H new ATOM 0 HH21 ARG A 78 -1.966 -11.506 7.343 1.00 0.38 H new ATOM 0 HH22 ARG A 78 -3.339 -11.939 8.368 1.00 0.38 H new ATOM 1329 N GLU A 79 -0.086 -6.526 9.702 1.00 0.17 N ATOM 1330 CA GLU A 79 0.899 -6.873 10.715 1.00 0.20 C ATOM 1331 C GLU A 79 1.775 -8.028 10.250 1.00 0.23 C ATOM 1332 O GLU A 79 2.901 -8.194 10.719 1.00 0.28 O ATOM 1333 CB GLU A 79 0.199 -7.249 12.018 1.00 0.21 C ATOM 1334 CG GLU A 79 -0.521 -6.086 12.676 1.00 0.28 C ATOM 1335 CD GLU A 79 0.428 -5.131 13.371 1.00 0.86 C ATOM 1336 OE1 GLU A 79 0.898 -4.178 12.715 1.00 1.75 O ATOM 1337 OE2 GLU A 79 0.702 -5.337 14.573 1.00 1.13 O ATOM 0 H GLU A 79 -1.048 -6.507 10.041 1.00 0.17 H new ATOM 0 HA GLU A 79 1.535 -6.003 10.883 1.00 0.20 H new ATOM 0 HB2 GLU A 79 -0.519 -8.045 11.819 1.00 0.21 H new ATOM 0 HB3 GLU A 79 0.935 -7.651 12.714 1.00 0.21 H new ATOM 0 HG2 GLU A 79 -1.090 -5.542 11.922 1.00 0.28 H new ATOM 0 HG3 GLU A 79 -1.239 -6.471 13.401 1.00 0.28 H new ATOM 1344 N ASP A 80 1.250 -8.824 9.326 1.00 0.24 N ATOM 1345 CA ASP A 80 1.984 -9.967 8.802 1.00 0.32 C ATOM 1346 C ASP A 80 2.918 -9.558 7.662 1.00 0.35 C ATOM 1347 O ASP A 80 3.666 -10.385 7.140 1.00 0.45 O ATOM 1348 CB ASP A 80 1.008 -11.041 8.320 1.00 0.34 C ATOM 1349 CG ASP A 80 0.107 -11.539 9.432 1.00 1.29 C ATOM 1350 OD1 ASP A 80 -0.962 -10.930 9.648 1.00 2.00 O ATOM 1351 OD2 ASP A 80 0.471 -12.538 10.087 1.00 1.86 O ATOM 0 H ASP A 80 0.320 -8.698 8.925 1.00 0.24 H new ATOM 0 HA ASP A 80 2.596 -10.370 9.609 1.00 0.32 H new ATOM 0 HB2 ASP A 80 0.396 -10.637 7.513 1.00 0.34 H new ATOM 0 HB3 ASP A 80 1.569 -11.879 7.907 1.00 0.34 H new ATOM 1356 N GLY A 81 2.878 -8.280 7.277 1.00 0.32 N ATOM 1357 CA GLY A 81 3.733 -7.804 6.204 1.00 0.40 C ATOM 1358 C GLY A 81 3.114 -7.995 4.831 1.00 0.45 C ATOM 1359 O GLY A 81 3.577 -7.413 3.852 1.00 0.82 O ATOM 0 H GLY A 81 2.271 -7.571 7.689 1.00 0.32 H new ATOM 0 HA2 GLY A 81 3.946 -6.746 6.358 1.00 0.40 H new ATOM 0 HA3 GLY A 81 4.686 -8.331 6.244 1.00 0.40 H new ATOM 1363 N ARG A 82 2.062 -8.807 4.762 1.00 0.18 N ATOM 1364 CA ARG A 82 1.378 -9.073 3.505 1.00 0.18 C ATOM 1365 C ARG A 82 0.318 -8.014 3.246 1.00 0.14 C ATOM 1366 O ARG A 82 -0.874 -8.314 3.204 1.00 0.17 O ATOM 1367 CB ARG A 82 0.728 -10.452 3.552 1.00 0.22 C ATOM 1368 CG ARG A 82 1.639 -11.532 4.106 1.00 0.29 C ATOM 1369 CD ARG A 82 2.681 -11.956 3.089 1.00 0.60 C ATOM 1370 NE ARG A 82 3.522 -13.046 3.581 1.00 0.96 N ATOM 1371 CZ ARG A 82 4.390 -13.706 2.819 1.00 1.46 C ATOM 1372 NH1 ARG A 82 4.523 -13.389 1.539 1.00 1.68 N ATOM 1373 NH2 ARG A 82 5.123 -14.682 3.336 1.00 1.85 N ATOM 0 H ARG A 82 1.666 -9.293 5.567 1.00 0.18 H new ATOM 0 HA ARG A 82 2.108 -9.045 2.696 1.00 0.18 H new ATOM 0 HB2 ARG A 82 -0.173 -10.399 4.163 1.00 0.22 H new ATOM 0 HB3 ARG A 82 0.415 -10.732 2.546 1.00 0.22 H new ATOM 0 HG2 ARG A 82 2.135 -11.166 5.005 1.00 0.29 H new ATOM 0 HG3 ARG A 82 1.043 -12.396 4.400 1.00 0.29 H new ATOM 0 HD2 ARG A 82 2.184 -12.269 2.171 1.00 0.60 H new ATOM 0 HD3 ARG A 82 3.308 -11.101 2.836 1.00 0.60 H new ATOM 0 HE ARG A 82 3.439 -13.315 4.561 1.00 0.96 H new ATOM 0 HH11 ARG A 82 3.960 -12.639 1.138 1.00 1.68 H new ATOM 0 HH12 ARG A 82 5.189 -13.895 0.955 1.00 1.68 H new ATOM 0 HH21 ARG A 82 5.022 -14.929 4.321 1.00 1.85 H new ATOM 0 HH22 ARG A 82 5.788 -15.186 2.749 1.00 1.85 H new ATOM 1387 N HIS A 83 0.761 -6.778 3.070 1.00 0.11 N ATOM 1388 CA HIS A 83 -0.154 -5.670 2.833 1.00 0.09 C ATOM 1389 C HIS A 83 -0.608 -5.643 1.380 1.00 0.08 C ATOM 1390 O HIS A 83 -0.071 -6.361 0.535 1.00 0.10 O ATOM 1391 CB HIS A 83 0.500 -4.325 3.182 1.00 0.12 C ATOM 1392 CG HIS A 83 1.638 -4.418 4.154 1.00 0.12 C ATOM 1393 ND1 HIS A 83 1.432 -4.719 5.478 1.00 0.22 N ATOM 1394 CD2 HIS A 83 2.963 -4.233 3.941 1.00 0.13 C ATOM 1395 CE1 HIS A 83 2.628 -4.712 6.040 1.00 0.23 C ATOM 1396 NE2 HIS A 83 3.588 -4.423 5.147 1.00 0.15 N ATOM 0 H HIS A 83 1.747 -6.517 3.087 1.00 0.11 H new ATOM 0 HA HIS A 83 -1.019 -5.822 3.479 1.00 0.09 H new ATOM 0 HB2 HIS A 83 0.861 -3.862 2.263 1.00 0.12 H new ATOM 0 HB3 HIS A 83 -0.260 -3.663 3.595 1.00 0.12 H new ATOM 0 HD2 HIS A 83 3.436 -3.984 3.003 1.00 0.13 H new ATOM 0 HE1 HIS A 83 2.810 -4.913 7.085 1.00 0.23 H new ATOM 0 HE2 HIS A 83 4.589 -4.357 5.330 1.00 0.15 H new ATOM 1404 N PHE A 84 -1.604 -4.814 1.101 1.00 0.09 N ATOM 1405 CA PHE A 84 -2.126 -4.663 -0.248 1.00 0.08 C ATOM 1406 C PHE A 84 -2.856 -3.332 -0.376 1.00 0.08 C ATOM 1407 O PHE A 84 -3.399 -2.815 0.600 1.00 0.08 O ATOM 1408 CB PHE A 84 -3.038 -5.836 -0.622 1.00 0.09 C ATOM 1409 CG PHE A 84 -4.191 -6.060 0.315 1.00 0.09 C ATOM 1410 CD1 PHE A 84 -5.398 -5.414 0.113 1.00 0.12 C ATOM 1411 CD2 PHE A 84 -4.075 -6.933 1.388 1.00 0.11 C ATOM 1412 CE1 PHE A 84 -6.467 -5.631 0.958 1.00 0.14 C ATOM 1413 CE2 PHE A 84 -5.143 -7.155 2.237 1.00 0.14 C ATOM 1414 CZ PHE A 84 -6.341 -6.504 2.021 1.00 0.15 C ATOM 0 H PHE A 84 -2.069 -4.232 1.798 1.00 0.09 H new ATOM 0 HA PHE A 84 -1.290 -4.668 -0.948 1.00 0.08 H new ATOM 0 HB2 PHE A 84 -3.430 -5.668 -1.625 1.00 0.09 H new ATOM 0 HB3 PHE A 84 -2.439 -6.746 -0.663 1.00 0.09 H new ATOM 0 HD1 PHE A 84 -5.505 -4.731 -0.717 1.00 0.12 H new ATOM 0 HD2 PHE A 84 -3.140 -7.445 1.561 1.00 0.11 H new ATOM 0 HE1 PHE A 84 -7.402 -5.118 0.788 1.00 0.14 H new ATOM 0 HE2 PHE A 84 -5.040 -7.837 3.068 1.00 0.14 H new ATOM 0 HZ PHE A 84 -7.178 -6.677 2.682 1.00 0.15 H new ATOM 1424 N ILE A 85 -2.871 -2.781 -1.581 1.00 0.09 N ATOM 1425 CA ILE A 85 -3.504 -1.491 -1.819 1.00 0.09 C ATOM 1426 C ILE A 85 -4.933 -1.634 -2.325 1.00 0.08 C ATOM 1427 O ILE A 85 -5.165 -2.137 -3.423 1.00 0.09 O ATOM 1428 CB ILE A 85 -2.696 -0.656 -2.832 1.00 0.11 C ATOM 1429 CG1 ILE A 85 -1.270 -0.442 -2.325 1.00 0.12 C ATOM 1430 CG2 ILE A 85 -3.374 0.683 -3.090 1.00 0.13 C ATOM 1431 CD1 ILE A 85 -0.439 0.448 -3.224 1.00 0.12 C ATOM 0 H ILE A 85 -2.453 -3.206 -2.409 1.00 0.09 H new ATOM 0 HA ILE A 85 -3.528 -0.981 -0.856 1.00 0.09 H new ATOM 0 HB ILE A 85 -2.654 -1.204 -3.773 1.00 0.11 H new ATOM 0 HG12 ILE A 85 -1.309 -0.004 -1.328 1.00 0.12 H new ATOM 0 HG13 ILE A 85 -0.778 -1.410 -2.229 1.00 0.12 H new ATOM 0 HG21 ILE A 85 -2.787 1.256 -3.808 1.00 0.13 H new ATOM 0 HG22 ILE A 85 -4.373 0.514 -3.492 1.00 0.13 H new ATOM 0 HG23 ILE A 85 -3.448 1.239 -2.156 1.00 0.13 H new ATOM 0 HD11 ILE A 85 0.561 0.557 -2.804 1.00 0.12 H new ATOM 0 HD12 ILE A 85 -0.370 0.000 -4.215 1.00 0.12 H new ATOM 0 HD13 ILE A 85 -0.909 1.428 -3.301 1.00 0.12 H new ATOM 1443 N LEU A 86 -5.887 -1.178 -1.517 1.00 0.08 N ATOM 1444 CA LEU A 86 -7.292 -1.225 -1.894 1.00 0.08 C ATOM 1445 C LEU A 86 -7.588 -0.106 -2.882 1.00 0.08 C ATOM 1446 O LEU A 86 -7.300 1.057 -2.610 1.00 0.10 O ATOM 1447 CB LEU A 86 -8.186 -1.086 -0.660 1.00 0.09 C ATOM 1448 CG LEU A 86 -9.688 -1.073 -0.952 1.00 0.10 C ATOM 1449 CD1 LEU A 86 -10.085 -2.303 -1.751 1.00 0.11 C ATOM 1450 CD2 LEU A 86 -10.484 -0.999 0.343 1.00 0.14 C ATOM 0 H LEU A 86 -5.710 -0.772 -0.598 1.00 0.08 H new ATOM 0 HA LEU A 86 -7.501 -2.188 -2.361 1.00 0.08 H new ATOM 0 HB2 LEU A 86 -7.970 -1.909 0.022 1.00 0.09 H new ATOM 0 HB3 LEU A 86 -7.923 -0.164 -0.141 1.00 0.09 H new ATOM 0 HG LEU A 86 -9.915 -0.188 -1.546 1.00 0.10 H new ATOM 0 HD11 LEU A 86 -11.156 -2.278 -1.950 1.00 0.11 H new ATOM 0 HD12 LEU A 86 -9.541 -2.315 -2.695 1.00 0.11 H new ATOM 0 HD13 LEU A 86 -9.843 -3.200 -1.182 1.00 0.11 H new ATOM 0 HD21 LEU A 86 -11.550 -0.991 0.115 1.00 0.14 H new ATOM 0 HD22 LEU A 86 -10.252 -1.865 0.963 1.00 0.14 H new ATOM 0 HD23 LEU A 86 -10.221 -0.088 0.880 1.00 0.14 H new ATOM 1462 N THR A 87 -8.163 -0.458 -4.023 1.00 0.08 N ATOM 1463 CA THR A 87 -8.461 0.532 -5.049 1.00 0.09 C ATOM 1464 C THR A 87 -9.957 0.665 -5.301 1.00 0.09 C ATOM 1465 O THR A 87 -10.411 1.665 -5.857 1.00 0.11 O ATOM 1466 CB THR A 87 -7.763 0.179 -6.372 1.00 0.10 C ATOM 1467 OG1 THR A 87 -8.459 -0.891 -7.021 1.00 0.14 O ATOM 1468 CG2 THR A 87 -6.320 -0.227 -6.121 1.00 0.13 C ATOM 0 H THR A 87 -8.431 -1.413 -4.261 1.00 0.08 H new ATOM 0 HA THR A 87 -8.086 1.485 -4.676 1.00 0.09 H new ATOM 0 HB THR A 87 -7.773 1.059 -7.015 1.00 0.10 H new ATOM 0 HG1 THR A 87 -8.048 -1.067 -7.893 1.00 0.14 H new ATOM 0 HG21 THR A 87 -5.841 -0.474 -7.069 1.00 0.13 H new ATOM 0 HG22 THR A 87 -5.787 0.598 -5.649 1.00 0.13 H new ATOM 0 HG23 THR A 87 -6.296 -1.097 -5.465 1.00 0.13 H new ATOM 1476 N LYS A 88 -10.719 -0.343 -4.901 1.00 0.09 N ATOM 1477 CA LYS A 88 -12.160 -0.317 -5.098 1.00 0.10 C ATOM 1478 C LYS A 88 -12.839 -1.447 -4.339 1.00 0.11 C ATOM 1479 O LYS A 88 -12.213 -2.451 -4.005 1.00 0.11 O ATOM 1480 CB LYS A 88 -12.483 -0.422 -6.588 1.00 0.12 C ATOM 1481 CG LYS A 88 -13.968 -0.409 -6.898 1.00 0.16 C ATOM 1482 CD LYS A 88 -14.218 -0.425 -8.398 1.00 0.21 C ATOM 1483 CE LYS A 88 -15.704 -0.423 -8.720 1.00 0.55 C ATOM 1484 NZ LYS A 88 -16.395 -1.621 -8.169 1.00 1.43 N ATOM 0 H LYS A 88 -10.366 -1.183 -4.442 1.00 0.09 H new ATOM 0 HA LYS A 88 -12.539 0.628 -4.710 1.00 0.10 H new ATOM 0 HB2 LYS A 88 -12.005 0.406 -7.112 1.00 0.12 H new ATOM 0 HB3 LYS A 88 -12.048 -1.341 -6.980 1.00 0.12 H new ATOM 0 HG2 LYS A 88 -14.446 -1.274 -6.438 1.00 0.16 H new ATOM 0 HG3 LYS A 88 -14.426 0.478 -6.460 1.00 0.16 H new ATOM 0 HD2 LYS A 88 -13.745 0.444 -8.855 1.00 0.21 H new ATOM 0 HD3 LYS A 88 -13.752 -1.308 -8.835 1.00 0.21 H new ATOM 0 HE2 LYS A 88 -16.162 0.479 -8.313 1.00 0.55 H new ATOM 0 HE3 LYS A 88 -15.841 -0.391 -9.801 1.00 0.55 H new ATOM 0 HZ1 LYS A 88 -17.343 -1.698 -8.589 1.00 1.43 H new ATOM 0 HZ2 LYS A 88 -15.845 -2.474 -8.396 1.00 1.43 H new ATOM 0 HZ3 LYS A 88 -16.480 -1.529 -7.137 1.00 1.43 H new ATOM 1498 N VAL A 89 -14.122 -1.267 -4.061 1.00 0.13 N ATOM 1499 CA VAL A 89 -14.897 -2.270 -3.351 1.00 0.15 C ATOM 1500 C VAL A 89 -16.263 -2.460 -4.005 1.00 0.17 C ATOM 1501 O VAL A 89 -17.096 -1.554 -4.005 1.00 0.20 O ATOM 1502 CB VAL A 89 -15.071 -1.900 -1.862 1.00 0.18 C ATOM 1503 CG1 VAL A 89 -13.726 -1.559 -1.245 1.00 0.18 C ATOM 1504 CG2 VAL A 89 -16.043 -0.742 -1.688 1.00 0.21 C ATOM 0 H VAL A 89 -14.648 -0.432 -4.318 1.00 0.13 H new ATOM 0 HA VAL A 89 -14.345 -3.208 -3.406 1.00 0.15 H new ATOM 0 HB VAL A 89 -15.488 -2.765 -1.347 1.00 0.18 H new ATOM 0 HG11 VAL A 89 -13.863 -1.300 -0.195 1.00 0.18 H new ATOM 0 HG12 VAL A 89 -13.061 -2.419 -1.323 1.00 0.18 H new ATOM 0 HG13 VAL A 89 -13.287 -0.713 -1.773 1.00 0.18 H new ATOM 0 HG21 VAL A 89 -16.143 -0.507 -0.628 1.00 0.21 H new ATOM 0 HG22 VAL A 89 -15.667 0.132 -2.220 1.00 0.21 H new ATOM 0 HG23 VAL A 89 -17.017 -1.021 -2.091 1.00 0.21 H new ATOM 1514 N SER A 90 -16.482 -3.640 -4.569 1.00 0.20 N ATOM 1515 CA SER A 90 -17.743 -3.942 -5.231 1.00 0.24 C ATOM 1516 C SER A 90 -18.776 -4.434 -4.227 1.00 0.23 C ATOM 1517 O SER A 90 -19.055 -5.629 -4.148 1.00 0.22 O ATOM 1518 CB SER A 90 -17.531 -4.998 -6.316 1.00 0.27 C ATOM 1519 OG SER A 90 -16.572 -4.569 -7.268 1.00 1.15 O ATOM 0 H SER A 90 -15.804 -4.402 -4.581 1.00 0.20 H new ATOM 0 HA SER A 90 -18.114 -3.026 -5.691 1.00 0.24 H new ATOM 0 HB2 SER A 90 -17.202 -5.931 -5.859 1.00 0.27 H new ATOM 0 HB3 SER A 90 -18.477 -5.204 -6.816 1.00 0.27 H new ATOM 0 HG SER A 90 -16.454 -5.263 -7.949 1.00 1.15 H new ATOM 1525 N LYS A 91 -19.349 -3.507 -3.463 1.00 0.28 N ATOM 1526 CA LYS A 91 -20.353 -3.864 -2.468 1.00 0.31 C ATOM 1527 C LYS A 91 -21.456 -4.699 -3.098 1.00 0.33 C ATOM 1528 O LYS A 91 -22.104 -5.503 -2.426 1.00 0.35 O ATOM 1529 CB LYS A 91 -20.952 -2.611 -1.828 1.00 0.41 C ATOM 1530 CG LYS A 91 -20.112 -2.041 -0.695 1.00 0.80 C ATOM 1531 CD LYS A 91 -19.838 -3.085 0.376 1.00 1.43 C ATOM 1532 CE LYS A 91 -19.231 -2.458 1.620 1.00 1.61 C ATOM 1533 NZ LYS A 91 -20.168 -1.499 2.269 1.00 1.86 N ATOM 0 H LYS A 91 -19.136 -2.511 -3.514 1.00 0.28 H new ATOM 0 HA LYS A 91 -19.863 -4.453 -1.692 1.00 0.31 H new ATOM 0 HB2 LYS A 91 -21.078 -1.847 -2.595 1.00 0.41 H new ATOM 0 HB3 LYS A 91 -21.946 -2.848 -1.448 1.00 0.41 H new ATOM 0 HG2 LYS A 91 -19.167 -1.670 -1.092 1.00 0.80 H new ATOM 0 HG3 LYS A 91 -20.628 -1.190 -0.251 1.00 0.80 H new ATOM 0 HD2 LYS A 91 -20.767 -3.592 0.638 1.00 1.43 H new ATOM 0 HD3 LYS A 91 -19.162 -3.844 -0.018 1.00 1.43 H new ATOM 0 HE2 LYS A 91 -18.964 -3.242 2.329 1.00 1.61 H new ATOM 0 HE3 LYS A 91 -18.309 -1.942 1.354 1.00 1.61 H new ATOM 0 HZ1 LYS A 91 -20.061 -1.555 3.302 1.00 1.86 H new ATOM 0 HZ2 LYS A 91 -19.952 -0.533 1.950 1.00 1.86 H new ATOM 0 HZ3 LYS A 91 -21.146 -1.739 2.009 1.00 1.86 H new ATOM 1547 N GLU A 92 -21.664 -4.503 -4.394 1.00 0.36 N ATOM 1548 CA GLU A 92 -22.680 -5.248 -5.122 1.00 0.41 C ATOM 1549 C GLU A 92 -22.420 -6.739 -4.989 1.00 0.35 C ATOM 1550 O GLU A 92 -23.345 -7.546 -4.919 1.00 0.39 O ATOM 1551 CB GLU A 92 -22.672 -4.851 -6.596 1.00 0.49 C ATOM 1552 CG GLU A 92 -22.981 -3.383 -6.833 1.00 0.57 C ATOM 1553 CD GLU A 92 -22.890 -2.998 -8.296 1.00 1.27 C ATOM 1554 OE1 GLU A 92 -23.915 -3.104 -9.002 1.00 1.29 O ATOM 1555 OE2 GLU A 92 -21.795 -2.592 -8.737 1.00 2.09 O ATOM 0 H GLU A 92 -21.142 -3.835 -4.961 1.00 0.36 H new ATOM 0 HA GLU A 92 -23.657 -5.014 -4.700 1.00 0.41 H new ATOM 0 HB2 GLU A 92 -21.695 -5.081 -7.020 1.00 0.49 H new ATOM 0 HB3 GLU A 92 -23.402 -5.458 -7.131 1.00 0.49 H new ATOM 0 HG2 GLU A 92 -23.983 -3.162 -6.464 1.00 0.57 H new ATOM 0 HG3 GLU A 92 -22.287 -2.772 -6.256 1.00 0.57 H new ATOM 1562 N ALA A 93 -21.141 -7.086 -4.957 1.00 0.30 N ATOM 1563 CA ALA A 93 -20.718 -8.469 -4.825 1.00 0.30 C ATOM 1564 C ALA A 93 -19.872 -8.674 -3.569 1.00 0.26 C ATOM 1565 O ALA A 93 -19.355 -9.766 -3.333 1.00 0.34 O ATOM 1566 CB ALA A 93 -19.937 -8.890 -6.059 1.00 0.36 C ATOM 0 H ALA A 93 -20.372 -6.419 -5.022 1.00 0.30 H new ATOM 0 HA ALA A 93 -21.609 -9.090 -4.732 1.00 0.30 H new ATOM 0 HB1 ALA A 93 -19.622 -9.928 -5.954 1.00 0.36 H new ATOM 0 HB2 ALA A 93 -20.569 -8.790 -6.941 1.00 0.36 H new ATOM 0 HB3 ALA A 93 -19.058 -8.254 -6.168 1.00 0.36 H new ATOM 1572 N ASN A 94 -19.732 -7.620 -2.763 1.00 0.18 N ATOM 1573 CA ASN A 94 -18.952 -7.694 -1.540 1.00 0.18 C ATOM 1574 C ASN A 94 -17.485 -7.973 -1.846 1.00 0.19 C ATOM 1575 O ASN A 94 -16.744 -8.451 -0.989 1.00 0.33 O ATOM 1576 CB ASN A 94 -19.515 -8.781 -0.627 1.00 0.24 C ATOM 1577 CG ASN A 94 -21.006 -8.629 -0.408 1.00 0.21 C ATOM 1578 OD1 ASN A 94 -21.815 -9.166 -1.164 1.00 0.53 O ATOM 1579 ND2 ASN A 94 -21.376 -7.893 0.633 1.00 0.44 N ATOM 0 H ASN A 94 -20.151 -6.707 -2.941 1.00 0.18 H new ATOM 0 HA ASN A 94 -19.017 -6.731 -1.033 1.00 0.18 H new ATOM 0 HB2 ASN A 94 -19.311 -9.760 -1.062 1.00 0.24 H new ATOM 0 HB3 ASN A 94 -19.003 -8.747 0.335 1.00 0.24 H new ATOM 0 HD21 ASN A 94 -22.366 -7.754 0.833 1.00 0.44 H new ATOM 0 HD22 ASN A 94 -20.670 -7.467 1.233 1.00 0.44 H new ATOM 1586 N ARG A 95 -17.068 -7.665 -3.071 1.00 0.15 N ATOM 1587 CA ARG A 95 -15.689 -7.888 -3.483 1.00 0.15 C ATOM 1588 C ARG A 95 -14.842 -6.649 -3.227 1.00 0.13 C ATOM 1589 O ARG A 95 -15.367 -5.562 -2.986 1.00 0.15 O ATOM 1590 CB ARG A 95 -15.629 -8.264 -4.961 1.00 0.18 C ATOM 1591 CG ARG A 95 -16.581 -9.384 -5.337 1.00 0.26 C ATOM 1592 CD ARG A 95 -16.589 -9.628 -6.836 1.00 0.30 C ATOM 1593 NE ARG A 95 -17.000 -8.443 -7.584 1.00 1.01 N ATOM 1594 CZ ARG A 95 -17.130 -8.417 -8.908 1.00 1.19 C ATOM 1595 NH1 ARG A 95 -16.883 -9.507 -9.622 1.00 0.65 N ATOM 1596 NH2 ARG A 95 -17.508 -7.301 -9.519 1.00 1.98 N ATOM 0 H ARG A 95 -17.665 -7.261 -3.793 1.00 0.15 H new ATOM 0 HA ARG A 95 -15.288 -8.711 -2.892 1.00 0.15 H new ATOM 0 HB2 ARG A 95 -15.860 -7.384 -5.562 1.00 0.18 H new ATOM 0 HB3 ARG A 95 -14.611 -8.563 -5.211 1.00 0.18 H new ATOM 0 HG2 ARG A 95 -16.291 -10.299 -4.820 1.00 0.26 H new ATOM 0 HG3 ARG A 95 -17.588 -9.135 -5.003 1.00 0.26 H new ATOM 0 HD2 ARG A 95 -15.593 -9.932 -7.158 1.00 0.30 H new ATOM 0 HD3 ARG A 95 -17.264 -10.453 -7.065 1.00 0.30 H new ATOM 0 HE ARG A 95 -17.198 -7.589 -7.063 1.00 1.01 H new ATOM 0 HH11 ARG A 95 -16.593 -10.367 -9.156 1.00 0.65 H new ATOM 0 HH12 ARG A 95 -16.983 -9.485 -10.637 1.00 0.65 H new ATOM 0 HH21 ARG A 95 -17.700 -6.461 -8.973 1.00 1.98 H new ATOM 0 HH22 ARG A 95 -17.607 -7.284 -10.534 1.00 1.98 H new ATOM 1610 N TYR A 96 -13.528 -6.824 -3.281 1.00 0.11 N ATOM 1611 CA TYR A 96 -12.600 -5.727 -3.049 1.00 0.10 C ATOM 1612 C TYR A 96 -11.438 -5.767 -4.032 1.00 0.08 C ATOM 1613 O TYR A 96 -10.731 -6.767 -4.134 1.00 0.09 O ATOM 1614 CB TYR A 96 -12.074 -5.796 -1.620 1.00 0.11 C ATOM 1615 CG TYR A 96 -13.157 -5.620 -0.587 1.00 0.11 C ATOM 1616 CD1 TYR A 96 -14.060 -6.641 -0.322 1.00 0.10 C ATOM 1617 CD2 TYR A 96 -13.288 -4.429 0.109 1.00 0.14 C ATOM 1618 CE1 TYR A 96 -15.064 -6.478 0.610 1.00 0.12 C ATOM 1619 CE2 TYR A 96 -14.290 -4.256 1.043 1.00 0.16 C ATOM 1620 CZ TYR A 96 -15.177 -5.284 1.290 1.00 0.13 C ATOM 1621 OH TYR A 96 -16.181 -5.118 2.215 1.00 0.17 O ATOM 0 H TYR A 96 -13.081 -7.718 -3.484 1.00 0.11 H new ATOM 0 HA TYR A 96 -13.135 -4.789 -3.200 1.00 0.10 H new ATOM 0 HB2 TYR A 96 -11.584 -6.757 -1.465 1.00 0.11 H new ATOM 0 HB3 TYR A 96 -11.316 -5.025 -1.480 1.00 0.11 H new ATOM 0 HD1 TYR A 96 -13.975 -7.577 -0.854 1.00 0.10 H new ATOM 0 HD2 TYR A 96 -12.595 -3.623 -0.082 1.00 0.14 H new ATOM 0 HE1 TYR A 96 -15.758 -7.282 0.806 1.00 0.12 H new ATOM 0 HE2 TYR A 96 -14.379 -3.322 1.577 1.00 0.16 H new ATOM 0 HH TYR A 96 -16.401 -5.984 2.618 1.00 0.17 H new ATOM 1631 N LEU A 97 -11.247 -4.666 -4.749 1.00 0.08 N ATOM 1632 CA LEU A 97 -10.165 -4.572 -5.718 1.00 0.07 C ATOM 1633 C LEU A 97 -8.900 -4.066 -5.045 1.00 0.07 C ATOM 1634 O LEU A 97 -8.819 -2.905 -4.648 1.00 0.08 O ATOM 1635 CB LEU A 97 -10.551 -3.630 -6.856 1.00 0.09 C ATOM 1636 CG LEU A 97 -9.487 -3.450 -7.940 1.00 0.10 C ATOM 1637 CD1 LEU A 97 -9.099 -4.791 -8.540 1.00 0.15 C ATOM 1638 CD2 LEU A 97 -9.987 -2.504 -9.019 1.00 0.13 C ATOM 0 H LEU A 97 -11.826 -3.829 -4.677 1.00 0.08 H new ATOM 0 HA LEU A 97 -9.981 -5.566 -6.126 1.00 0.07 H new ATOM 0 HB2 LEU A 97 -11.463 -4.003 -7.322 1.00 0.09 H new ATOM 0 HB3 LEU A 97 -10.786 -2.653 -6.434 1.00 0.09 H new ATOM 0 HG LEU A 97 -8.599 -3.014 -7.483 1.00 0.10 H new ATOM 0 HD11 LEU A 97 -8.341 -4.640 -9.309 1.00 0.15 H new ATOM 0 HD12 LEU A 97 -8.699 -5.437 -7.759 1.00 0.15 H new ATOM 0 HD13 LEU A 97 -9.978 -5.259 -8.984 1.00 0.15 H new ATOM 0 HD21 LEU A 97 -9.219 -2.386 -9.783 1.00 0.13 H new ATOM 0 HD22 LEU A 97 -10.890 -2.913 -9.472 1.00 0.13 H new ATOM 0 HD23 LEU A 97 -10.211 -1.533 -8.577 1.00 0.13 H new ATOM 1650 N ILE A 98 -7.913 -4.938 -4.928 1.00 0.08 N ATOM 1651 CA ILE A 98 -6.656 -4.575 -4.300 1.00 0.09 C ATOM 1652 C ILE A 98 -5.496 -4.784 -5.254 1.00 0.09 C ATOM 1653 O ILE A 98 -5.613 -5.516 -6.232 1.00 0.10 O ATOM 1654 CB ILE A 98 -6.414 -5.404 -3.028 1.00 0.09 C ATOM 1655 CG1 ILE A 98 -6.324 -6.895 -3.359 1.00 0.09 C ATOM 1656 CG2 ILE A 98 -7.518 -5.152 -2.014 1.00 0.09 C ATOM 1657 CD1 ILE A 98 -4.969 -7.329 -3.872 1.00 0.11 C ATOM 0 H ILE A 98 -7.959 -5.901 -5.260 1.00 0.08 H new ATOM 0 HA ILE A 98 -6.720 -3.520 -4.033 1.00 0.09 H new ATOM 0 HB ILE A 98 -5.464 -5.093 -2.594 1.00 0.09 H new ATOM 0 HG12 ILE A 98 -6.564 -7.471 -2.465 1.00 0.09 H new ATOM 0 HG13 ILE A 98 -7.079 -7.137 -4.107 1.00 0.09 H new ATOM 0 HG21 ILE A 98 -7.333 -5.746 -1.119 1.00 0.09 H new ATOM 0 HG22 ILE A 98 -7.536 -4.094 -1.750 1.00 0.09 H new ATOM 0 HG23 ILE A 98 -8.479 -5.435 -2.444 1.00 0.09 H new ATOM 0 HD11 ILE A 98 -4.986 -8.398 -4.084 1.00 0.11 H new ATOM 0 HD12 ILE A 98 -4.733 -6.782 -4.785 1.00 0.11 H new ATOM 0 HD13 ILE A 98 -4.210 -7.120 -3.118 1.00 0.11 H new ATOM 1669 N PHE A 99 -4.377 -4.131 -4.978 1.00 0.10 N ATOM 1670 CA PHE A 99 -3.204 -4.286 -5.820 1.00 0.11 C ATOM 1671 C PHE A 99 -2.242 -5.282 -5.192 1.00 0.12 C ATOM 1672 O PHE A 99 -1.739 -5.064 -4.093 1.00 0.14 O ATOM 1673 CB PHE A 99 -2.504 -2.949 -6.051 1.00 0.12 C ATOM 1674 CG PHE A 99 -1.489 -3.012 -7.153 1.00 0.12 C ATOM 1675 CD1 PHE A 99 -1.868 -2.826 -8.474 1.00 0.16 C ATOM 1676 CD2 PHE A 99 -0.157 -3.271 -6.872 1.00 0.12 C ATOM 1677 CE1 PHE A 99 -0.938 -2.895 -9.492 1.00 0.18 C ATOM 1678 CE2 PHE A 99 0.777 -3.343 -7.886 1.00 0.13 C ATOM 1679 CZ PHE A 99 0.387 -3.154 -9.198 1.00 0.15 C ATOM 0 H PHE A 99 -4.258 -3.497 -4.188 1.00 0.10 H new ATOM 0 HA PHE A 99 -3.530 -4.663 -6.789 1.00 0.11 H new ATOM 0 HB2 PHE A 99 -3.249 -2.190 -6.291 1.00 0.12 H new ATOM 0 HB3 PHE A 99 -2.015 -2.635 -5.129 1.00 0.12 H new ATOM 0 HD1 PHE A 99 -2.903 -2.625 -8.709 1.00 0.16 H new ATOM 0 HD2 PHE A 99 0.154 -3.418 -5.848 1.00 0.12 H new ATOM 0 HE1 PHE A 99 -1.246 -2.747 -10.517 1.00 0.18 H new ATOM 0 HE2 PHE A 99 1.812 -3.547 -7.654 1.00 0.13 H new ATOM 0 HZ PHE A 99 1.117 -3.209 -9.992 1.00 0.15 H new ATOM 1689 N ASP A 100 -2.005 -6.385 -5.889 1.00 0.17 N ATOM 1690 CA ASP A 100 -1.109 -7.423 -5.396 1.00 0.20 C ATOM 1691 C ASP A 100 0.343 -6.964 -5.446 1.00 0.15 C ATOM 1692 O ASP A 100 0.928 -6.833 -6.520 1.00 0.14 O ATOM 1693 CB ASP A 100 -1.280 -8.699 -6.215 1.00 0.28 C ATOM 1694 CG ASP A 100 -0.577 -9.888 -5.592 1.00 0.32 C ATOM 1695 OD1 ASP A 100 0.650 -9.806 -5.378 1.00 0.17 O ATOM 1696 OD2 ASP A 100 -1.253 -10.901 -5.318 1.00 0.58 O ATOM 0 H ASP A 100 -2.421 -6.584 -6.799 1.00 0.17 H new ATOM 0 HA ASP A 100 -1.368 -7.626 -4.357 1.00 0.20 H new ATOM 0 HB2 ASP A 100 -2.342 -8.922 -6.317 1.00 0.28 H new ATOM 0 HB3 ASP A 100 -0.891 -8.537 -7.220 1.00 0.28 H new ATOM 1701 N LEU A 101 0.914 -6.721 -4.274 1.00 0.14 N ATOM 1702 CA LEU A 101 2.298 -6.281 -4.169 1.00 0.12 C ATOM 1703 C LEU A 101 3.275 -7.411 -4.498 1.00 0.13 C ATOM 1704 O LEU A 101 4.478 -7.182 -4.631 1.00 0.16 O ATOM 1705 CB LEU A 101 2.563 -5.748 -2.758 1.00 0.14 C ATOM 1706 CG LEU A 101 1.946 -4.379 -2.446 1.00 0.11 C ATOM 1707 CD1 LEU A 101 0.579 -4.232 -3.093 1.00 0.10 C ATOM 1708 CD2 LEU A 101 1.834 -4.181 -0.944 1.00 0.11 C ATOM 0 H LEU A 101 0.437 -6.822 -3.378 1.00 0.14 H new ATOM 0 HA LEU A 101 2.457 -5.486 -4.897 1.00 0.12 H new ATOM 0 HB2 LEU A 101 2.183 -6.472 -2.037 1.00 0.14 H new ATOM 0 HB3 LEU A 101 3.641 -5.685 -2.608 1.00 0.14 H new ATOM 0 HG LEU A 101 2.603 -3.614 -2.859 1.00 0.11 H new ATOM 0 HD11 LEU A 101 0.167 -3.252 -2.854 1.00 0.10 H new ATOM 0 HD12 LEU A 101 0.676 -4.331 -4.174 1.00 0.10 H new ATOM 0 HD13 LEU A 101 -0.087 -5.008 -2.716 1.00 0.10 H new ATOM 0 HD21 LEU A 101 1.394 -3.205 -0.737 1.00 0.11 H new ATOM 0 HD22 LEU A 101 1.201 -4.961 -0.520 1.00 0.11 H new ATOM 0 HD23 LEU A 101 2.826 -4.235 -0.495 1.00 0.11 H new ATOM 1720 N GLU A 102 2.755 -8.630 -4.628 1.00 0.14 N ATOM 1721 CA GLU A 102 3.583 -9.787 -4.939 1.00 0.16 C ATOM 1722 C GLU A 102 3.669 -10.000 -6.444 1.00 0.16 C ATOM 1723 O GLU A 102 4.740 -10.263 -6.990 1.00 0.20 O ATOM 1724 CB GLU A 102 3.005 -11.037 -4.279 1.00 0.17 C ATOM 1725 CG GLU A 102 2.641 -10.842 -2.818 1.00 0.21 C ATOM 1726 CD GLU A 102 2.258 -12.138 -2.133 1.00 0.23 C ATOM 1727 OE1 GLU A 102 3.172 -12.890 -1.734 1.00 0.32 O ATOM 1728 OE2 GLU A 102 1.045 -12.401 -1.992 1.00 0.29 O ATOM 0 H GLU A 102 1.762 -8.839 -4.522 1.00 0.14 H new ATOM 0 HA GLU A 102 4.586 -9.602 -4.553 1.00 0.16 H new ATOM 0 HB2 GLU A 102 2.116 -11.349 -4.827 1.00 0.17 H new ATOM 0 HB3 GLU A 102 3.729 -11.847 -4.359 1.00 0.17 H new ATOM 0 HG2 GLU A 102 3.486 -10.395 -2.294 1.00 0.21 H new ATOM 0 HG3 GLU A 102 1.812 -10.138 -2.745 1.00 0.21 H new ATOM 1735 N GLN A 103 2.524 -9.885 -7.105 1.00 0.15 N ATOM 1736 CA GLN A 103 2.445 -10.072 -8.546 1.00 0.16 C ATOM 1737 C GLN A 103 2.519 -8.741 -9.288 1.00 0.15 C ATOM 1738 O GLN A 103 2.693 -8.712 -10.507 1.00 0.17 O ATOM 1739 CB GLN A 103 1.150 -10.792 -8.904 1.00 0.17 C ATOM 1740 CG GLN A 103 0.862 -11.972 -7.999 1.00 0.23 C ATOM 1741 CD GLN A 103 -0.407 -12.709 -8.379 1.00 0.56 C ATOM 1742 OE1 GLN A 103 -0.790 -12.749 -9.547 1.00 1.11 O ATOM 1743 NE2 GLN A 103 -1.066 -13.294 -7.386 1.00 0.45 N ATOM 0 H GLN A 103 1.633 -9.662 -6.662 1.00 0.15 H new ATOM 0 HA GLN A 103 3.299 -10.676 -8.853 1.00 0.16 H new ATOM 0 HB2 GLN A 103 0.321 -10.087 -8.848 1.00 0.17 H new ATOM 0 HB3 GLN A 103 1.206 -11.137 -9.936 1.00 0.17 H new ATOM 0 HG2 GLN A 103 1.703 -12.664 -8.034 1.00 0.23 H new ATOM 0 HG3 GLN A 103 0.779 -11.623 -6.970 1.00 0.23 H new ATOM 0 HE21 GLN A 103 -0.710 -13.234 -6.432 1.00 0.45 H new ATOM 0 HE22 GLN A 103 -1.929 -13.804 -7.577 1.00 0.45 H new ATOM 1752 N ARG A 104 2.380 -7.639 -8.552 1.00 0.15 N ATOM 1753 CA ARG A 104 2.434 -6.312 -9.148 1.00 0.15 C ATOM 1754 C ARG A 104 1.223 -6.070 -10.038 1.00 0.16 C ATOM 1755 O ARG A 104 1.271 -5.263 -10.966 1.00 0.20 O ATOM 1756 CB ARG A 104 3.726 -6.148 -9.950 1.00 0.16 C ATOM 1757 CG ARG A 104 4.974 -6.470 -9.145 1.00 0.17 C ATOM 1758 CD ARG A 104 6.238 -6.203 -9.945 1.00 0.21 C ATOM 1759 NE ARG A 104 7.447 -6.422 -9.153 1.00 0.79 N ATOM 1760 CZ ARG A 104 8.678 -6.330 -9.648 1.00 0.98 C ATOM 1761 NH1 ARG A 104 8.860 -6.031 -10.928 1.00 0.64 N ATOM 1762 NH2 ARG A 104 9.728 -6.536 -8.864 1.00 1.67 N ATOM 0 H ARG A 104 2.229 -7.643 -7.543 1.00 0.15 H new ATOM 0 HA ARG A 104 2.420 -5.573 -8.347 1.00 0.15 H new ATOM 0 HB2 ARG A 104 3.688 -6.797 -10.825 1.00 0.16 H new ATOM 0 HB3 ARG A 104 3.792 -5.123 -10.316 1.00 0.16 H new ATOM 0 HG2 ARG A 104 4.985 -5.871 -8.234 1.00 0.17 H new ATOM 0 HG3 ARG A 104 4.951 -7.516 -8.838 1.00 0.17 H new ATOM 0 HD2 ARG A 104 6.256 -6.852 -10.820 1.00 0.21 H new ATOM 0 HD3 ARG A 104 6.225 -5.176 -10.310 1.00 0.21 H new ATOM 0 HE ARG A 104 7.341 -6.658 -8.166 1.00 0.79 H new ATOM 0 HH11 ARG A 104 8.055 -5.871 -11.534 1.00 0.64 H new ATOM 0 HH12 ARG A 104 9.805 -5.961 -11.306 1.00 0.64 H new ATOM 0 HH21 ARG A 104 9.592 -6.765 -7.879 1.00 1.67 H new ATOM 0 HH22 ARG A 104 10.671 -6.465 -9.246 1.00 1.67 H new ATOM 1776 N ASN A 105 0.134 -6.773 -9.744 1.00 0.14 N ATOM 1777 CA ASN A 105 -1.093 -6.640 -10.513 1.00 0.16 C ATOM 1778 C ASN A 105 -2.313 -6.605 -9.597 1.00 0.13 C ATOM 1779 O ASN A 105 -2.290 -7.159 -8.498 1.00 0.15 O ATOM 1780 CB ASN A 105 -1.220 -7.783 -11.521 1.00 0.22 C ATOM 1781 CG ASN A 105 -0.733 -9.107 -10.965 1.00 0.42 C ATOM 1782 OD1 ASN A 105 0.438 -9.458 -11.108 1.00 1.23 O ATOM 1783 ND2 ASN A 105 -1.628 -9.852 -10.330 1.00 0.45 N ATOM 0 H ASN A 105 0.079 -7.442 -8.976 1.00 0.14 H new ATOM 0 HA ASN A 105 -1.048 -5.696 -11.057 1.00 0.16 H new ATOM 0 HB2 ASN A 105 -2.262 -7.882 -11.824 1.00 0.22 H new ATOM 0 HB3 ASN A 105 -0.650 -7.538 -12.417 1.00 0.22 H new ATOM 0 HD21 ASN A 105 -1.355 -10.753 -9.938 1.00 0.45 H new ATOM 0 HD22 ASN A 105 -2.589 -9.524 -10.234 1.00 0.45 H new ATOM 1790 N PRO A 106 -3.400 -5.950 -10.045 1.00 0.14 N ATOM 1791 CA PRO A 106 -4.636 -5.828 -9.263 1.00 0.13 C ATOM 1792 C PRO A 106 -5.312 -7.170 -9.002 1.00 0.15 C ATOM 1793 O PRO A 106 -5.042 -8.162 -9.680 1.00 0.21 O ATOM 1794 CB PRO A 106 -5.535 -4.940 -10.131 1.00 0.15 C ATOM 1795 CG PRO A 106 -4.618 -4.294 -11.110 1.00 0.20 C ATOM 1796 CD PRO A 106 -3.514 -5.276 -11.346 1.00 0.22 C ATOM 0 HA PRO A 106 -4.436 -5.418 -8.273 1.00 0.13 H new ATOM 0 HB2 PRO A 106 -6.300 -5.529 -10.637 1.00 0.15 H new ATOM 0 HB3 PRO A 106 -6.054 -4.196 -9.527 1.00 0.15 H new ATOM 0 HG2 PRO A 106 -5.139 -4.061 -12.039 1.00 0.20 H new ATOM 0 HG3 PRO A 106 -4.228 -3.354 -10.719 1.00 0.20 H new ATOM 0 HD2 PRO A 106 -3.758 -5.976 -12.145 1.00 0.22 H new ATOM 0 HD3 PRO A 106 -2.585 -4.781 -11.629 1.00 0.22 H new ATOM 1804 N ARG A 107 -6.195 -7.184 -8.009 1.00 0.11 N ATOM 1805 CA ARG A 107 -6.925 -8.388 -7.636 1.00 0.13 C ATOM 1806 C ARG A 107 -8.249 -8.036 -6.980 1.00 0.11 C ATOM 1807 O ARG A 107 -8.376 -7.002 -6.330 1.00 0.11 O ATOM 1808 CB ARG A 107 -6.098 -9.242 -6.677 1.00 0.16 C ATOM 1809 CG ARG A 107 -5.069 -10.109 -7.371 1.00 0.18 C ATOM 1810 CD ARG A 107 -4.357 -11.020 -6.384 1.00 0.27 C ATOM 1811 NE ARG A 107 -5.272 -11.951 -5.729 1.00 0.35 N ATOM 1812 CZ ARG A 107 -4.872 -13.040 -5.082 1.00 0.98 C ATOM 1813 NH1 ARG A 107 -3.579 -13.330 -5.006 1.00 1.70 N ATOM 1814 NH2 ARG A 107 -5.761 -13.839 -4.509 1.00 1.02 N ATOM 0 H ARG A 107 -6.423 -6.366 -7.444 1.00 0.11 H new ATOM 0 HA ARG A 107 -7.119 -8.954 -8.547 1.00 0.13 H new ATOM 0 HB2 ARG A 107 -5.591 -8.589 -5.967 1.00 0.16 H new ATOM 0 HB3 ARG A 107 -6.769 -9.879 -6.101 1.00 0.16 H new ATOM 0 HG2 ARG A 107 -5.556 -10.711 -8.138 1.00 0.18 H new ATOM 0 HG3 ARG A 107 -4.339 -9.477 -7.877 1.00 0.18 H new ATOM 0 HD2 ARG A 107 -3.582 -11.582 -6.906 1.00 0.27 H new ATOM 0 HD3 ARG A 107 -3.857 -10.414 -5.629 1.00 0.27 H new ATOM 0 HE ARG A 107 -6.272 -11.754 -5.771 1.00 0.35 H new ATOM 0 HH11 ARG A 107 -2.892 -12.717 -5.444 1.00 1.70 H new ATOM 0 HH12 ARG A 107 -3.272 -14.166 -4.509 1.00 1.70 H new ATOM 0 HH21 ARG A 107 -6.755 -13.618 -4.564 1.00 1.02 H new ATOM 0 HH22 ARG A 107 -5.451 -14.674 -4.013 1.00 1.02 H new ATOM 1828 N VAL A 108 -9.229 -8.909 -7.147 1.00 0.13 N ATOM 1829 CA VAL A 108 -10.546 -8.696 -6.568 1.00 0.12 C ATOM 1830 C VAL A 108 -10.862 -9.767 -5.532 1.00 0.12 C ATOM 1831 O VAL A 108 -11.188 -10.903 -5.877 1.00 0.15 O ATOM 1832 CB VAL A 108 -11.641 -8.697 -7.650 1.00 0.14 C ATOM 1833 CG1 VAL A 108 -13.012 -8.493 -7.025 1.00 0.66 C ATOM 1834 CG2 VAL A 108 -11.357 -7.626 -8.691 1.00 0.61 C ATOM 0 H VAL A 108 -9.137 -9.774 -7.680 1.00 0.13 H new ATOM 0 HA VAL A 108 -10.531 -7.719 -6.085 1.00 0.12 H new ATOM 0 HB VAL A 108 -11.637 -9.667 -8.146 1.00 0.14 H new ATOM 0 HG11 VAL A 108 -13.772 -8.497 -7.806 1.00 0.66 H new ATOM 0 HG12 VAL A 108 -13.213 -9.298 -6.319 1.00 0.66 H new ATOM 0 HG13 VAL A 108 -13.035 -7.537 -6.501 1.00 0.66 H new ATOM 0 HG21 VAL A 108 -12.140 -7.639 -9.449 1.00 0.61 H new ATOM 0 HG22 VAL A 108 -11.334 -6.648 -8.210 1.00 0.61 H new ATOM 0 HG23 VAL A 108 -10.393 -7.822 -9.161 1.00 0.61 H new ATOM 1844 N LEU A 109 -10.762 -9.397 -4.262 1.00 0.12 N ATOM 1845 CA LEU A 109 -11.038 -10.326 -3.175 1.00 0.12 C ATOM 1846 C LEU A 109 -12.497 -10.262 -2.767 1.00 0.12 C ATOM 1847 O LEU A 109 -13.202 -9.309 -3.085 1.00 0.17 O ATOM 1848 CB LEU A 109 -10.167 -10.007 -1.960 1.00 0.11 C ATOM 1849 CG LEU A 109 -8.672 -10.248 -2.142 1.00 0.12 C ATOM 1850 CD1 LEU A 109 -8.073 -9.219 -3.089 1.00 0.12 C ATOM 1851 CD2 LEU A 109 -7.968 -10.212 -0.794 1.00 0.14 C ATOM 0 H LEU A 109 -10.492 -8.461 -3.960 1.00 0.12 H new ATOM 0 HA LEU A 109 -10.809 -11.330 -3.533 1.00 0.12 H new ATOM 0 HB2 LEU A 109 -10.319 -8.962 -1.691 1.00 0.11 H new ATOM 0 HB3 LEU A 109 -10.514 -10.607 -1.119 1.00 0.11 H new ATOM 0 HG LEU A 109 -8.530 -11.235 -2.582 1.00 0.12 H new ATOM 0 HD11 LEU A 109 -7.006 -9.409 -3.205 1.00 0.12 H new ATOM 0 HD12 LEU A 109 -8.562 -9.291 -4.061 1.00 0.12 H new ATOM 0 HD13 LEU A 109 -8.221 -8.219 -2.681 1.00 0.12 H new ATOM 0 HD21 LEU A 109 -6.901 -10.385 -0.936 1.00 0.14 H new ATOM 0 HD22 LEU A 109 -8.119 -9.237 -0.331 1.00 0.14 H new ATOM 0 HD23 LEU A 109 -8.379 -10.988 -0.148 1.00 0.14 H new ATOM 1863 N GLU A 110 -12.944 -11.292 -2.069 1.00 0.13 N ATOM 1864 CA GLU A 110 -14.311 -11.341 -1.590 1.00 0.13 C ATOM 1865 C GLU A 110 -14.355 -10.817 -0.167 1.00 0.12 C ATOM 1866 O GLU A 110 -13.373 -10.932 0.564 1.00 0.12 O ATOM 1867 CB GLU A 110 -14.845 -12.772 -1.637 1.00 0.15 C ATOM 1868 CG GLU A 110 -14.384 -13.546 -2.858 1.00 0.19 C ATOM 1869 CD GLU A 110 -14.956 -14.950 -2.909 1.00 0.26 C ATOM 1870 OE1 GLU A 110 -16.116 -15.102 -3.343 1.00 0.33 O ATOM 1871 OE2 GLU A 110 -14.243 -15.895 -2.511 1.00 0.34 O ATOM 0 H GLU A 110 -12.379 -12.105 -1.822 1.00 0.13 H new ATOM 0 HA GLU A 110 -14.939 -10.722 -2.231 1.00 0.13 H new ATOM 0 HB2 GLU A 110 -14.526 -13.301 -0.739 1.00 0.15 H new ATOM 0 HB3 GLU A 110 -15.935 -12.746 -1.622 1.00 0.15 H new ATOM 0 HG2 GLU A 110 -14.677 -13.005 -3.758 1.00 0.19 H new ATOM 0 HG3 GLU A 110 -13.295 -13.601 -2.859 1.00 0.19 H new ATOM 1878 N GLN A 111 -15.480 -10.249 0.238 1.00 0.13 N ATOM 1879 CA GLN A 111 -15.598 -9.714 1.588 1.00 0.13 C ATOM 1880 C GLN A 111 -15.094 -10.718 2.615 1.00 0.12 C ATOM 1881 O GLN A 111 -14.356 -10.366 3.532 1.00 0.13 O ATOM 1882 CB GLN A 111 -17.038 -9.329 1.892 1.00 0.14 C ATOM 1883 CG GLN A 111 -17.231 -8.862 3.316 1.00 0.16 C ATOM 1884 CD GLN A 111 -18.531 -8.119 3.525 1.00 0.17 C ATOM 1885 OE1 GLN A 111 -19.535 -8.397 2.868 1.00 0.36 O ATOM 1886 NE2 GLN A 111 -18.515 -7.163 4.443 1.00 0.31 N ATOM 0 H GLN A 111 -16.315 -10.146 -0.339 1.00 0.13 H new ATOM 0 HA GLN A 111 -14.979 -8.819 1.648 1.00 0.13 H new ATOM 0 HB2 GLN A 111 -17.350 -8.538 1.210 1.00 0.14 H new ATOM 0 HB3 GLN A 111 -17.686 -10.185 1.704 1.00 0.14 H new ATOM 0 HG2 GLN A 111 -17.201 -9.724 3.982 1.00 0.16 H new ATOM 0 HG3 GLN A 111 -16.400 -8.214 3.595 1.00 0.16 H new ATOM 0 HE21 GLN A 111 -17.659 -6.969 4.962 1.00 0.31 H new ATOM 0 HE22 GLN A 111 -19.359 -6.621 4.630 1.00 0.31 H new ATOM 1895 N SER A 112 -15.493 -11.968 2.454 1.00 0.13 N ATOM 1896 CA SER A 112 -15.053 -13.011 3.362 1.00 0.14 C ATOM 1897 C SER A 112 -13.532 -13.076 3.359 1.00 0.14 C ATOM 1898 O SER A 112 -12.905 -13.330 4.387 1.00 0.16 O ATOM 1899 CB SER A 112 -15.645 -14.362 2.957 1.00 0.16 C ATOM 1900 OG SER A 112 -17.057 -14.359 3.079 1.00 0.95 O ATOM 0 H SER A 112 -16.115 -12.283 1.710 1.00 0.13 H new ATOM 0 HA SER A 112 -15.401 -12.777 4.368 1.00 0.14 H new ATOM 0 HB2 SER A 112 -15.367 -14.591 1.928 1.00 0.16 H new ATOM 0 HB3 SER A 112 -15.225 -15.149 3.583 1.00 0.16 H new ATOM 0 HG SER A 112 -17.410 -15.233 2.812 1.00 0.95 H new ATOM 1906 N GLU A 113 -12.948 -12.845 2.187 1.00 0.13 N ATOM 1907 CA GLU A 113 -11.501 -12.855 2.038 1.00 0.13 C ATOM 1908 C GLU A 113 -10.903 -11.579 2.610 1.00 0.14 C ATOM 1909 O GLU A 113 -10.010 -11.622 3.455 1.00 0.17 O ATOM 1910 CB GLU A 113 -11.118 -12.993 0.566 1.00 0.14 C ATOM 1911 CG GLU A 113 -11.505 -14.330 -0.032 1.00 0.18 C ATOM 1912 CD GLU A 113 -10.830 -15.496 0.662 1.00 0.25 C ATOM 1913 OE1 GLU A 113 -9.689 -15.834 0.281 1.00 0.31 O ATOM 1914 OE2 GLU A 113 -11.441 -16.071 1.587 1.00 0.30 O ATOM 0 H GLU A 113 -13.458 -12.648 1.326 1.00 0.13 H new ATOM 0 HA GLU A 113 -11.104 -13.709 2.587 1.00 0.13 H new ATOM 0 HB2 GLU A 113 -11.597 -12.196 -0.003 1.00 0.14 H new ATOM 0 HB3 GLU A 113 -10.042 -12.855 0.464 1.00 0.14 H new ATOM 0 HG2 GLU A 113 -12.586 -14.452 0.029 1.00 0.18 H new ATOM 0 HG3 GLU A 113 -11.243 -14.340 -1.090 1.00 0.18 H new ATOM 1921 N PHE A 114 -11.407 -10.442 2.142 1.00 0.11 N ATOM 1922 CA PHE A 114 -10.927 -9.154 2.606 1.00 0.12 C ATOM 1923 C PHE A 114 -11.091 -9.050 4.115 1.00 0.13 C ATOM 1924 O PHE A 114 -10.166 -8.660 4.825 1.00 0.19 O ATOM 1925 CB PHE A 114 -11.680 -8.019 1.911 1.00 0.12 C ATOM 1926 CG PHE A 114 -11.191 -6.662 2.315 1.00 0.12 C ATOM 1927 CD1 PHE A 114 -11.684 -6.046 3.452 1.00 0.14 C ATOM 1928 CD2 PHE A 114 -10.229 -6.009 1.564 1.00 0.12 C ATOM 1929 CE1 PHE A 114 -11.228 -4.799 3.832 1.00 0.15 C ATOM 1930 CE2 PHE A 114 -9.767 -4.764 1.942 1.00 0.13 C ATOM 1931 CZ PHE A 114 -10.267 -4.159 3.075 1.00 0.14 C ATOM 0 H PHE A 114 -12.147 -10.391 1.442 1.00 0.11 H new ATOM 0 HA PHE A 114 -9.869 -9.066 2.359 1.00 0.12 H new ATOM 0 HB2 PHE A 114 -11.578 -8.130 0.831 1.00 0.12 H new ATOM 0 HB3 PHE A 114 -12.742 -8.100 2.141 1.00 0.12 H new ATOM 0 HD1 PHE A 114 -12.433 -6.546 4.048 1.00 0.14 H new ATOM 0 HD2 PHE A 114 -9.836 -6.478 0.674 1.00 0.12 H new ATOM 0 HE1 PHE A 114 -11.622 -4.326 4.719 1.00 0.15 H new ATOM 0 HE2 PHE A 114 -9.014 -4.264 1.350 1.00 0.13 H new ATOM 0 HZ PHE A 114 -9.907 -3.185 3.371 1.00 0.14 H new ATOM 1941 N GLU A 115 -12.276 -9.403 4.595 1.00 0.12 N ATOM 1942 CA GLU A 115 -12.564 -9.376 6.022 1.00 0.14 C ATOM 1943 C GLU A 115 -11.556 -10.227 6.771 1.00 0.15 C ATOM 1944 O GLU A 115 -11.188 -9.936 7.909 1.00 0.18 O ATOM 1945 CB GLU A 115 -13.969 -9.911 6.286 1.00 0.14 C ATOM 1946 CG GLU A 115 -15.076 -8.950 5.903 1.00 0.14 C ATOM 1947 CD GLU A 115 -16.452 -9.481 6.251 1.00 0.41 C ATOM 1948 OE1 GLU A 115 -16.756 -10.634 5.877 1.00 0.60 O ATOM 1949 OE2 GLU A 115 -17.226 -8.746 6.899 1.00 0.66 O ATOM 0 H GLU A 115 -13.056 -9.712 4.014 1.00 0.12 H new ATOM 0 HA GLU A 115 -12.499 -8.345 6.369 1.00 0.14 H new ATOM 0 HB2 GLU A 115 -14.102 -10.841 5.734 1.00 0.14 H new ATOM 0 HB3 GLU A 115 -14.062 -10.153 7.345 1.00 0.14 H new ATOM 0 HG2 GLU A 115 -14.918 -7.998 6.411 1.00 0.14 H new ATOM 0 HG3 GLU A 115 -15.027 -8.752 4.832 1.00 0.14 H new ATOM 1956 N ALA A 116 -11.119 -11.286 6.108 1.00 0.13 N ATOM 1957 CA ALA A 116 -10.155 -12.214 6.675 1.00 0.15 C ATOM 1958 C ALA A 116 -8.729 -11.668 6.601 1.00 0.16 C ATOM 1959 O ALA A 116 -7.806 -12.255 7.167 1.00 0.21 O ATOM 1960 CB ALA A 116 -10.247 -13.545 5.946 1.00 0.17 C ATOM 0 H ALA A 116 -11.422 -11.526 5.164 1.00 0.13 H new ATOM 0 HA ALA A 116 -10.395 -12.352 7.729 1.00 0.15 H new ATOM 0 HB1 ALA A 116 -9.525 -14.243 6.370 1.00 0.17 H new ATOM 0 HB2 ALA A 116 -11.252 -13.952 6.057 1.00 0.17 H new ATOM 0 HB3 ALA A 116 -10.030 -13.396 4.888 1.00 0.17 H new ATOM 1966 N LEU A 117 -8.549 -10.550 5.904 1.00 0.16 N ATOM 1967 CA LEU A 117 -7.229 -9.949 5.759 1.00 0.18 C ATOM 1968 C LEU A 117 -7.170 -8.575 6.418 1.00 0.19 C ATOM 1969 O LEU A 117 -6.142 -8.186 6.972 1.00 0.28 O ATOM 1970 CB LEU A 117 -6.872 -9.833 4.278 1.00 0.19 C ATOM 1971 CG LEU A 117 -6.907 -11.152 3.507 1.00 0.19 C ATOM 1972 CD1 LEU A 117 -6.832 -10.900 2.010 1.00 0.22 C ATOM 1973 CD2 LEU A 117 -5.771 -12.057 3.956 1.00 0.23 C ATOM 0 H LEU A 117 -9.299 -10.044 5.432 1.00 0.16 H new ATOM 0 HA LEU A 117 -6.506 -10.594 6.259 1.00 0.18 H new ATOM 0 HB2 LEU A 117 -7.562 -9.134 3.806 1.00 0.19 H new ATOM 0 HB3 LEU A 117 -5.874 -9.404 4.191 1.00 0.19 H new ATOM 0 HG LEU A 117 -7.852 -11.652 3.720 1.00 0.19 H new ATOM 0 HD11 LEU A 117 -6.858 -11.852 1.479 1.00 0.22 H new ATOM 0 HD12 LEU A 117 -7.680 -10.289 1.701 1.00 0.22 H new ATOM 0 HD13 LEU A 117 -5.904 -10.379 1.775 1.00 0.22 H new ATOM 0 HD21 LEU A 117 -5.809 -12.993 3.398 1.00 0.23 H new ATOM 0 HD22 LEU A 117 -4.817 -11.563 3.771 1.00 0.23 H new ATOM 0 HD23 LEU A 117 -5.871 -12.265 5.021 1.00 0.23 H new ATOM 1985 N TYR A 118 -8.277 -7.846 6.360 1.00 0.14 N ATOM 1986 CA TYR A 118 -8.342 -6.513 6.942 1.00 0.14 C ATOM 1987 C TYR A 118 -8.089 -6.562 8.444 1.00 0.20 C ATOM 1988 O TYR A 118 -8.511 -7.496 9.126 1.00 0.28 O ATOM 1989 CB TYR A 118 -9.704 -5.877 6.665 1.00 0.14 C ATOM 1990 CG TYR A 118 -9.754 -4.403 6.984 1.00 0.17 C ATOM 1991 CD1 TYR A 118 -8.785 -3.540 6.493 1.00 0.22 C ATOM 1992 CD2 TYR A 118 -10.768 -3.875 7.773 1.00 0.19 C ATOM 1993 CE1 TYR A 118 -8.820 -2.190 6.780 1.00 0.27 C ATOM 1994 CE2 TYR A 118 -10.812 -2.525 8.064 1.00 0.23 C ATOM 1995 CZ TYR A 118 -9.837 -1.688 7.566 1.00 0.27 C ATOM 1996 OH TYR A 118 -9.874 -0.344 7.853 1.00 0.33 O ATOM 0 H TYR A 118 -9.141 -8.156 5.916 1.00 0.14 H new ATOM 0 HA TYR A 118 -7.564 -5.905 6.479 1.00 0.14 H new ATOM 0 HB2 TYR A 118 -9.958 -6.023 5.615 1.00 0.14 H new ATOM 0 HB3 TYR A 118 -10.464 -6.394 7.251 1.00 0.14 H new ATOM 0 HD1 TYR A 118 -7.990 -3.931 5.876 1.00 0.22 H new ATOM 0 HD2 TYR A 118 -11.533 -4.529 8.165 1.00 0.19 H new ATOM 0 HE1 TYR A 118 -8.057 -1.532 6.392 1.00 0.27 H new ATOM 0 HE2 TYR A 118 -11.606 -2.128 8.679 1.00 0.23 H new ATOM 0 HH TYR A 118 -10.177 -0.215 8.776 1.00 0.33 H new ATOM 2006 N GLN A 119 -7.394 -5.551 8.952 1.00 0.22 N ATOM 2007 CA GLN A 119 -7.084 -5.478 10.374 1.00 0.29 C ATOM 2008 C GLN A 119 -7.607 -4.180 10.983 1.00 0.26 C ATOM 2009 O GLN A 119 -6.992 -3.616 11.888 1.00 0.40 O ATOM 2010 CB GLN A 119 -5.575 -5.589 10.595 1.00 0.36 C ATOM 2011 CG GLN A 119 -4.963 -6.834 9.974 1.00 0.56 C ATOM 2012 CD GLN A 119 -3.550 -7.086 10.454 1.00 0.70 C ATOM 2013 OE1 GLN A 119 -2.820 -6.153 10.788 1.00 1.49 O ATOM 2014 NE2 GLN A 119 -3.154 -8.352 10.489 1.00 0.36 N ATOM 0 H GLN A 119 -7.035 -4.771 8.401 1.00 0.22 H new ATOM 0 HA GLN A 119 -7.579 -6.313 10.870 1.00 0.29 H new ATOM 0 HB2 GLN A 119 -5.089 -4.707 10.178 1.00 0.36 H new ATOM 0 HB3 GLN A 119 -5.371 -5.589 11.666 1.00 0.36 H new ATOM 0 HG2 GLN A 119 -5.584 -7.698 10.212 1.00 0.56 H new ATOM 0 HG3 GLN A 119 -4.962 -6.732 8.889 1.00 0.56 H new ATOM 0 HE21 GLN A 119 -3.793 -9.094 10.203 1.00 0.36 H new ATOM 0 HE22 GLN A 119 -2.211 -8.583 10.802 1.00 0.36 H new ATOM 2023 N GLY A 120 -8.743 -3.711 10.479 1.00 0.26 N ATOM 2024 CA GLY A 120 -9.330 -2.483 10.986 1.00 0.25 C ATOM 2025 C GLY A 120 -8.381 -1.302 10.907 1.00 0.22 C ATOM 2026 O GLY A 120 -8.576 -0.297 11.589 1.00 0.35 O ATOM 0 H GLY A 120 -9.269 -4.159 9.728 1.00 0.26 H new ATOM 0 HA2 GLY A 120 -10.233 -2.256 10.419 1.00 0.25 H new ATOM 0 HA3 GLY A 120 -9.633 -2.631 12.023 1.00 0.25 H new ATOM 2030 N HIS A 121 -7.354 -1.421 10.074 1.00 0.20 N ATOM 2031 CA HIS A 121 -6.379 -0.351 9.907 1.00 0.18 C ATOM 2032 C HIS A 121 -6.001 -0.185 8.443 1.00 0.17 C ATOM 2033 O HIS A 121 -5.808 -1.166 7.724 1.00 0.26 O ATOM 2034 CB HIS A 121 -5.124 -0.629 10.737 1.00 0.21 C ATOM 2035 CG HIS A 121 -5.261 -0.242 12.175 1.00 0.23 C ATOM 2036 ND1 HIS A 121 -5.006 -1.107 13.217 1.00 0.29 N ATOM 2037 CD2 HIS A 121 -5.615 0.934 12.741 1.00 0.24 C ATOM 2038 CE1 HIS A 121 -5.200 -0.480 14.363 1.00 0.32 C ATOM 2039 NE2 HIS A 121 -5.570 0.761 14.103 1.00 0.29 N ATOM 0 H HIS A 121 -7.175 -2.248 9.504 1.00 0.20 H new ATOM 0 HA HIS A 121 -6.837 0.574 10.257 1.00 0.18 H new ATOM 0 HB2 HIS A 121 -4.886 -1.691 10.676 1.00 0.21 H new ATOM 0 HB3 HIS A 121 -4.283 -0.088 10.302 1.00 0.21 H new ATOM 0 HD1 HIS A 121 -4.713 -2.079 13.119 1.00 0.29 H new ATOM 0 HD2 HIS A 121 -5.883 1.841 12.219 1.00 0.24 H new ATOM 0 HE1 HIS A 121 -5.077 -0.909 15.346 1.00 0.32 H new ATOM 2048 N ILE A 122 -5.900 1.064 8.002 1.00 0.09 N ATOM 2049 CA ILE A 122 -5.543 1.352 6.624 1.00 0.08 C ATOM 2050 C ILE A 122 -4.759 2.656 6.520 1.00 0.08 C ATOM 2051 O ILE A 122 -4.903 3.547 7.356 1.00 0.12 O ATOM 2052 CB ILE A 122 -6.796 1.422 5.728 1.00 0.08 C ATOM 2053 CG1 ILE A 122 -6.398 1.377 4.257 1.00 0.09 C ATOM 2054 CG2 ILE A 122 -7.608 2.674 6.026 1.00 0.10 C ATOM 2055 CD1 ILE A 122 -7.521 0.925 3.351 1.00 0.12 C ATOM 0 H ILE A 122 -6.060 1.889 8.580 1.00 0.09 H new ATOM 0 HA ILE A 122 -4.910 0.536 6.276 1.00 0.08 H new ATOM 0 HB ILE A 122 -7.421 0.556 5.946 1.00 0.08 H new ATOM 0 HG12 ILE A 122 -6.065 2.367 3.947 1.00 0.09 H new ATOM 0 HG13 ILE A 122 -5.549 0.704 4.137 1.00 0.09 H new ATOM 0 HG21 ILE A 122 -8.486 2.700 5.381 1.00 0.10 H new ATOM 0 HG22 ILE A 122 -7.924 2.663 7.069 1.00 0.10 H new ATOM 0 HG23 ILE A 122 -6.996 3.557 5.841 1.00 0.10 H new ATOM 0 HD11 ILE A 122 -7.173 0.915 2.318 1.00 0.12 H new ATOM 0 HD12 ILE A 122 -7.838 -0.078 3.637 1.00 0.12 H new ATOM 0 HD13 ILE A 122 -8.362 1.612 3.444 1.00 0.12 H new ATOM 2067 N ILE A 123 -3.933 2.757 5.488 1.00 0.08 N ATOM 2068 CA ILE A 123 -3.121 3.942 5.278 1.00 0.08 C ATOM 2069 C ILE A 123 -3.608 4.744 4.081 1.00 0.08 C ATOM 2070 O ILE A 123 -3.596 4.265 2.947 1.00 0.09 O ATOM 2071 CB ILE A 123 -1.642 3.564 5.072 1.00 0.09 C ATOM 2072 CG1 ILE A 123 -1.139 2.798 6.291 1.00 0.10 C ATOM 2073 CG2 ILE A 123 -0.796 4.807 4.831 1.00 0.09 C ATOM 2074 CD1 ILE A 123 0.260 2.250 6.135 1.00 0.10 C ATOM 0 H ILE A 123 -3.809 2.030 4.783 1.00 0.08 H new ATOM 0 HA ILE A 123 -3.214 4.558 6.173 1.00 0.08 H new ATOM 0 HB ILE A 123 -1.557 2.928 4.191 1.00 0.09 H new ATOM 0 HG12 ILE A 123 -1.166 3.457 7.159 1.00 0.10 H new ATOM 0 HG13 ILE A 123 -1.821 1.973 6.496 1.00 0.10 H new ATOM 0 HG21 ILE A 123 0.245 4.517 4.688 1.00 0.09 H new ATOM 0 HG22 ILE A 123 -1.154 5.324 3.941 1.00 0.09 H new ATOM 0 HG23 ILE A 123 -0.872 5.472 5.692 1.00 0.09 H new ATOM 0 HD11 ILE A 123 0.546 1.719 7.043 1.00 0.10 H new ATOM 0 HD12 ILE A 123 0.290 1.564 5.288 1.00 0.10 H new ATOM 0 HD13 ILE A 123 0.955 3.071 5.961 1.00 0.10 H new ATOM 2086 N LEU A 124 -4.039 5.969 4.346 1.00 0.08 N ATOM 2087 CA LEU A 124 -4.524 6.849 3.296 1.00 0.09 C ATOM 2088 C LEU A 124 -3.393 7.742 2.800 1.00 0.09 C ATOM 2089 O LEU A 124 -2.670 8.340 3.596 1.00 0.09 O ATOM 2090 CB LEU A 124 -5.684 7.702 3.811 1.00 0.10 C ATOM 2091 CG LEU A 124 -6.846 6.911 4.418 1.00 0.11 C ATOM 2092 CD1 LEU A 124 -7.982 7.845 4.806 1.00 0.16 C ATOM 2093 CD2 LEU A 124 -7.335 5.847 3.445 1.00 0.13 C ATOM 0 H LEU A 124 -4.062 6.375 5.281 1.00 0.08 H new ATOM 0 HA LEU A 124 -4.883 6.240 2.466 1.00 0.09 H new ATOM 0 HB2 LEU A 124 -5.302 8.393 4.563 1.00 0.10 H new ATOM 0 HB3 LEU A 124 -6.065 8.306 2.988 1.00 0.10 H new ATOM 0 HG LEU A 124 -6.489 6.412 5.319 1.00 0.11 H new ATOM 0 HD11 LEU A 124 -8.799 7.265 5.236 1.00 0.16 H new ATOM 0 HD12 LEU A 124 -7.625 8.567 5.540 1.00 0.16 H new ATOM 0 HD13 LEU A 124 -8.338 8.373 3.921 1.00 0.16 H new ATOM 0 HD21 LEU A 124 -8.161 5.295 3.894 1.00 0.13 H new ATOM 0 HD22 LEU A 124 -7.674 6.323 2.525 1.00 0.13 H new ATOM 0 HD23 LEU A 124 -6.520 5.159 3.218 1.00 0.13 H new ATOM 2105 N ILE A 125 -3.239 7.827 1.484 1.00 0.10 N ATOM 2106 CA ILE A 125 -2.181 8.637 0.900 1.00 0.11 C ATOM 2107 C ILE A 125 -2.742 9.811 0.106 1.00 0.12 C ATOM 2108 O ILE A 125 -3.876 9.779 -0.370 1.00 0.17 O ATOM 2109 CB ILE A 125 -1.268 7.789 -0.015 1.00 0.12 C ATOM 2110 CG1 ILE A 125 -0.588 6.686 0.794 1.00 0.11 C ATOM 2111 CG2 ILE A 125 -0.224 8.654 -0.710 1.00 0.13 C ATOM 2112 CD1 ILE A 125 -1.475 5.488 1.060 1.00 0.11 C ATOM 0 H ILE A 125 -3.831 7.347 0.806 1.00 0.10 H new ATOM 0 HA ILE A 125 -1.592 9.028 1.730 1.00 0.11 H new ATOM 0 HB ILE A 125 -1.892 7.333 -0.784 1.00 0.12 H new ATOM 0 HG12 ILE A 125 0.304 6.355 0.262 1.00 0.11 H new ATOM 0 HG13 ILE A 125 -0.256 7.099 1.746 1.00 0.11 H new ATOM 0 HG21 ILE A 125 0.402 8.028 -1.346 1.00 0.13 H new ATOM 0 HG22 ILE A 125 -0.723 9.407 -1.320 1.00 0.13 H new ATOM 0 HG23 ILE A 125 0.397 9.147 0.038 1.00 0.13 H new ATOM 0 HD11 ILE A 125 -0.923 4.748 1.639 1.00 0.11 H new ATOM 0 HD12 ILE A 125 -2.355 5.804 1.620 1.00 0.11 H new ATOM 0 HD13 ILE A 125 -1.787 5.049 0.112 1.00 0.11 H new ATOM 2124 N ALA A 126 -1.922 10.846 -0.021 1.00 0.12 N ATOM 2125 CA ALA A 126 -2.287 12.047 -0.755 1.00 0.14 C ATOM 2126 C ALA A 126 -1.033 12.760 -1.239 1.00 0.13 C ATOM 2127 O ALA A 126 0.022 12.662 -0.615 1.00 0.21 O ATOM 2128 CB ALA A 126 -3.121 12.970 0.117 1.00 0.17 C ATOM 0 H ALA A 126 -0.986 10.875 0.382 1.00 0.12 H new ATOM 0 HA ALA A 126 -2.886 11.762 -1.620 1.00 0.14 H new ATOM 0 HB1 ALA A 126 -3.385 13.864 -0.448 1.00 0.17 H new ATOM 0 HB2 ALA A 126 -4.030 12.455 0.427 1.00 0.17 H new ATOM 0 HB3 ALA A 126 -2.547 13.255 0.999 1.00 0.17 H new ATOM 2134 N SER A 127 -1.144 13.469 -2.351 1.00 0.19 N ATOM 2135 CA SER A 127 -0.003 14.185 -2.902 1.00 0.19 C ATOM 2136 C SER A 127 -0.326 15.655 -3.124 1.00 0.26 C ATOM 2137 O SER A 127 -1.487 16.034 -3.266 1.00 0.28 O ATOM 2138 CB SER A 127 0.451 13.543 -4.212 1.00 0.23 C ATOM 2139 OG SER A 127 1.555 14.235 -4.766 1.00 0.27 O ATOM 0 H SER A 127 -2.006 13.564 -2.887 1.00 0.19 H new ATOM 0 HA SER A 127 0.808 14.122 -2.177 1.00 0.19 H new ATOM 0 HB2 SER A 127 0.722 12.502 -4.035 1.00 0.23 H new ATOM 0 HB3 SER A 127 -0.374 13.540 -4.924 1.00 0.23 H new ATOM 0 HG SER A 127 1.826 13.802 -5.602 1.00 0.27 H new