USER MOD reduce.3.24.130724 H: found=0, std=0, add=752, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 755 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 85 THR OG1 : rot -43:sc= 1.1 USER MOD Set 1.2: A 106 HIS : no HD1:sc= -0.41 K(o=0.69,f=0.034) USER MOD Set 2.1: A 93 ASN : amide:sc= 0.929 K(o=2.2,f=-13!) USER MOD Set 2.2: A 103 LYS NZ :NH3+ 179:sc= 1.29 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= 0.322 K(o=0.32,f=-0.72) USER MOD Single : A 39 ASN : amide:sc= -2.86! C(o=-2.9!,f=-8.1!) USER MOD Single : A 43 THR OG1 : rot -65:sc= 1.12 USER MOD Single : A 49 THR OG1 : rot 96:sc= 1.23 USER MOD Single : A 52 SER OG : rot 62:sc= -1.25! USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot -178:sc= 1.26 USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 76 TYR OH : rot 2:sc= 0.753 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot -26:sc= 0.323! USER MOD Single : A 82 GLN : amide:sc= -0.994 K(o=-0.99,f=-3.3!) USER MOD Single : A 84 SER OG : rot 170:sc= -0.782 USER MOD Single : A 91 ASN : amide:sc= -0.0413 K(o=-0.041,f=-1.4!) USER MOD Single : A 96 LYS NZ :NH3+ -163:sc= -0.0607 (180deg=-0.317) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : B 227 MET CE :methyl -162:sc= -0.113 (180deg=-0.51) USER MOD Single : B 230 SER OG : rot 180:sc= 0 USER MOD Single : B 244 LYS NZ :NH3+ -157:sc= 0.995 (180deg=0.655) USER MOD Single : B 248 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0673) USER MOD Single : B 249 GLN :FLIP amide:sc= -2.64! C(o=-3.8!,f=-2.6!) USER MOD Single : B 250 ASN : amide:sc= -0.235 K(o=-0.23,f=-3.4!) USER MOD Single : B 253 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD ----------------------------------------------------------------- ATOM 101 N ALA A 31 3.976 8.826 4.832 1.00 0.00 N ATOM 102 CA ALA A 31 3.344 8.360 3.592 1.00 0.00 C ATOM 103 C ALA A 31 3.049 6.868 3.619 1.00 0.00 C ATOM 104 O ALA A 31 2.652 6.295 2.593 1.00 0.00 O ATOM 105 CB ALA A 31 4.252 8.656 2.404 1.00 0.00 C ATOM 0 HA ALA A 31 2.398 8.893 3.497 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.777 8.307 1.487 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.425 9.730 2.337 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.204 8.142 2.537 1.00 0.00 H new ATOM 111 N TYR A 32 3.209 6.245 4.760 1.00 0.00 N ATOM 112 CA TYR A 32 3.095 4.803 4.838 1.00 0.00 C ATOM 113 C TYR A 32 1.831 4.385 5.545 1.00 0.00 C ATOM 114 O TYR A 32 1.365 5.058 6.476 1.00 0.00 O ATOM 115 CB TYR A 32 4.293 4.220 5.583 1.00 0.00 C ATOM 116 CG TYR A 32 5.627 4.720 5.095 1.00 0.00 C ATOM 117 CD1 TYR A 32 5.965 4.683 3.756 1.00 0.00 C ATOM 118 CD2 TYR A 32 6.550 5.222 5.980 1.00 0.00 C ATOM 119 CE1 TYR A 32 7.185 5.134 3.317 1.00 0.00 C ATOM 120 CE2 TYR A 32 7.766 5.676 5.547 1.00 0.00 C ATOM 121 CZ TYR A 32 8.079 5.629 4.218 1.00 0.00 C ATOM 122 OH TYR A 32 9.306 6.079 3.791 1.00 0.00 O ATOM 0 H TYR A 32 3.418 6.707 5.645 1.00 0.00 H new ATOM 0 HA TYR A 32 3.067 4.423 3.817 1.00 0.00 H new ATOM 0 HB2 TYR A 32 4.196 4.454 6.643 1.00 0.00 H new ATOM 0 HB3 TYR A 32 4.269 3.134 5.492 1.00 0.00 H new ATOM 0 HD1 TYR A 32 5.256 4.292 3.041 1.00 0.00 H new ATOM 0 HD2 TYR A 32 6.312 5.259 7.033 1.00 0.00 H new ATOM 0 HE1 TYR A 32 7.434 5.097 2.267 1.00 0.00 H new ATOM 0 HE2 TYR A 32 8.478 6.072 6.256 1.00 0.00 H new ATOM 0 HH TYR A 32 9.822 6.400 4.560 1.00 0.00 H new ATOM 132 N ILE A 33 1.275 3.287 5.110 1.00 0.00 N ATOM 133 CA ILE A 33 0.116 2.709 5.733 1.00 0.00 C ATOM 134 C ILE A 33 0.255 1.216 5.820 1.00 0.00 C ATOM 135 O ILE A 33 0.992 0.592 5.039 1.00 0.00 O ATOM 136 CB ILE A 33 -1.209 3.029 5.001 1.00 0.00 C ATOM 137 CG1 ILE A 33 -1.108 2.675 3.513 1.00 0.00 C ATOM 138 CG2 ILE A 33 -1.606 4.479 5.209 1.00 0.00 C ATOM 139 CD1 ILE A 33 -2.408 2.786 2.770 1.00 0.00 C ATOM 0 H ILE A 33 1.618 2.763 4.305 1.00 0.00 H new ATOM 0 HA ILE A 33 0.066 3.159 6.725 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.997 2.411 5.431 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.375 3.331 3.043 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.732 1.656 3.417 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.540 4.679 4.685 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.739 4.671 6.274 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.824 5.130 4.818 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.253 2.519 1.724 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -3.139 2.109 3.213 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.777 3.810 2.833 1.00 0.00 H new ATOM 151 N TYR A 34 -0.429 0.667 6.761 1.00 0.00 N ATOM 152 CA TYR A 34 -0.505 -0.738 6.967 1.00 0.00 C ATOM 153 C TYR A 34 -1.865 -1.219 6.535 1.00 0.00 C ATOM 154 O TYR A 34 -2.888 -0.716 7.002 1.00 0.00 O ATOM 155 CB TYR A 34 -0.222 -1.073 8.451 1.00 0.00 C ATOM 156 CG TYR A 34 -0.864 -2.344 8.976 1.00 0.00 C ATOM 157 CD1 TYR A 34 -0.503 -3.600 8.512 1.00 0.00 C ATOM 158 CD2 TYR A 34 -1.845 -2.264 9.950 1.00 0.00 C ATOM 159 CE1 TYR A 34 -1.114 -4.736 9.005 1.00 0.00 C ATOM 160 CE2 TYR A 34 -2.456 -3.392 10.447 1.00 0.00 C ATOM 161 CZ TYR A 34 -2.090 -4.624 9.972 1.00 0.00 C ATOM 162 OH TYR A 34 -2.696 -5.762 10.473 1.00 0.00 O ATOM 0 H TYR A 34 -0.973 1.205 7.436 1.00 0.00 H new ATOM 0 HA TYR A 34 0.250 -1.250 6.370 1.00 0.00 H new ATOM 0 HB2 TYR A 34 0.857 -1.151 8.587 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -0.561 -0.238 9.063 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.264 -3.691 7.757 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -2.137 -1.295 10.328 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -0.828 -5.709 8.634 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -3.219 -3.307 11.207 1.00 0.00 H new ATOM 0 HH TYR A 34 -3.360 -5.509 11.147 1.00 0.00 H new ATOM 172 N ILE A 35 -1.873 -2.143 5.625 1.00 0.00 N ATOM 173 CA ILE A 35 -3.086 -2.749 5.168 1.00 0.00 C ATOM 174 C ILE A 35 -3.095 -4.153 5.733 1.00 0.00 C ATOM 175 O ILE A 35 -2.137 -4.890 5.562 1.00 0.00 O ATOM 176 CB ILE A 35 -3.083 -2.875 3.624 1.00 0.00 C ATOM 177 CG1 ILE A 35 -2.705 -1.560 2.977 1.00 0.00 C ATOM 178 CG2 ILE A 35 -4.475 -3.287 3.133 1.00 0.00 C ATOM 179 CD1 ILE A 35 -2.074 -1.727 1.617 1.00 0.00 C ATOM 0 H ILE A 35 -1.031 -2.501 5.174 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.945 -2.153 5.477 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.349 -3.632 3.348 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.596 -0.939 2.883 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -2.012 -1.027 3.629 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.467 -3.374 2.047 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.746 -4.247 3.572 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -5.204 -2.533 3.431 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.827 -0.747 1.208 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.165 -2.322 1.708 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.773 -2.232 0.951 1.00 0.00 H new ATOM 191 N GLY A 36 -4.137 -4.502 6.389 1.00 0.00 N ATOM 192 CA GLY A 36 -4.279 -5.804 6.955 1.00 0.00 C ATOM 193 C GLY A 36 -5.588 -6.405 6.555 1.00 0.00 C ATOM 194 O GLY A 36 -6.448 -5.693 6.022 1.00 0.00 O ATOM 0 H GLY A 36 -4.933 -3.886 6.555 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.461 -6.443 6.623 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.216 -5.744 8.042 1.00 0.00 H new ATOM 198 N ASN A 37 -5.739 -7.699 6.805 1.00 0.00 N ATOM 199 CA ASN A 37 -6.942 -8.482 6.471 1.00 0.00 C ATOM 200 C ASN A 37 -7.003 -8.787 4.984 1.00 0.00 C ATOM 201 O ASN A 37 -8.073 -8.967 4.415 1.00 0.00 O ATOM 202 CB ASN A 37 -8.259 -7.828 6.944 1.00 0.00 C ATOM 203 CG ASN A 37 -8.410 -7.732 8.450 1.00 0.00 C ATOM 204 OD1 ASN A 37 -7.828 -8.510 9.213 1.00 0.00 O ATOM 205 ND2 ASN A 37 -9.237 -6.828 8.893 1.00 0.00 N ATOM 0 H ASN A 37 -5.014 -8.256 7.257 1.00 0.00 H new ATOM 0 HA ASN A 37 -6.847 -9.417 7.024 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -8.324 -6.826 6.521 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -9.097 -8.398 6.543 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -9.418 -6.749 9.894 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -9.703 -6.199 8.239 1.00 0.00 H new ATOM 212 N LEU A 38 -5.839 -8.905 4.378 1.00 0.00 N ATOM 213 CA LEU A 38 -5.724 -9.222 2.954 1.00 0.00 C ATOM 214 C LEU A 38 -6.206 -10.616 2.644 1.00 0.00 C ATOM 215 O LEU A 38 -6.210 -11.503 3.506 1.00 0.00 O ATOM 216 CB LEU A 38 -4.278 -9.077 2.438 1.00 0.00 C ATOM 217 CG LEU A 38 -3.873 -7.733 1.843 1.00 0.00 C ATOM 218 CD1 LEU A 38 -4.662 -7.459 0.586 1.00 0.00 C ATOM 219 CD2 LEU A 38 -4.074 -6.621 2.825 1.00 0.00 C ATOM 0 H LEU A 38 -4.943 -8.786 4.851 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.360 -8.498 2.444 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.603 -9.296 3.265 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.113 -9.843 1.681 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.812 -7.782 1.598 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.363 -6.496 0.171 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.468 -8.245 -0.144 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.726 -7.438 0.822 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.776 -5.676 2.371 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.125 -6.572 3.109 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.467 -6.804 3.712 1.00 0.00 H new ATOM 231 N ASN A 39 -6.621 -10.792 1.423 1.00 0.00 N ATOM 232 CA ASN A 39 -7.013 -12.078 0.912 1.00 0.00 C ATOM 233 C ASN A 39 -5.796 -12.647 0.223 1.00 0.00 C ATOM 234 O ASN A 39 -5.004 -11.889 -0.356 1.00 0.00 O ATOM 235 CB ASN A 39 -8.130 -11.907 -0.123 1.00 0.00 C ATOM 236 CG ASN A 39 -8.871 -13.195 -0.466 1.00 0.00 C ATOM 237 OD1 ASN A 39 -8.350 -14.303 -0.339 1.00 0.00 O ATOM 238 ND2 ASN A 39 -10.037 -13.044 -1.004 1.00 0.00 N ATOM 0 H ASN A 39 -6.699 -10.036 0.742 1.00 0.00 H new ATOM 0 HA ASN A 39 -7.373 -12.726 1.712 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -8.848 -11.178 0.252 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -7.703 -11.493 -1.036 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -10.554 -13.857 -1.338 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -10.440 -12.111 -1.094 1.00 0.00 H new ATOM 245 N ARG A 40 -5.633 -13.938 0.280 1.00 0.00 N ATOM 246 CA ARG A 40 -4.521 -14.625 -0.361 1.00 0.00 C ATOM 247 C ARG A 40 -4.507 -14.419 -1.883 1.00 0.00 C ATOM 248 O ARG A 40 -3.464 -14.513 -2.520 1.00 0.00 O ATOM 249 CB ARG A 40 -4.516 -16.116 0.046 1.00 0.00 C ATOM 250 CG ARG A 40 -5.777 -16.913 -0.303 1.00 0.00 C ATOM 251 CD ARG A 40 -5.763 -17.361 -1.746 1.00 0.00 C ATOM 252 NE ARG A 40 -6.887 -18.226 -2.085 1.00 0.00 N ATOM 253 CZ ARG A 40 -7.232 -18.580 -3.330 1.00 0.00 C ATOM 254 NH1 ARG A 40 -6.519 -18.151 -4.376 1.00 0.00 N ATOM 255 NH2 ARG A 40 -8.274 -19.378 -3.526 1.00 0.00 N ATOM 0 H ARG A 40 -6.270 -14.561 0.776 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.591 -14.181 -0.006 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -3.662 -16.599 -0.429 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.358 -16.177 1.123 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -5.852 -17.783 0.349 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -6.659 -16.300 -0.119 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -5.779 -16.484 -2.393 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -4.831 -17.889 -1.948 1.00 0.00 H new ATOM 0 HE ARG A 40 -7.452 -18.588 -1.317 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -5.708 -17.551 -4.228 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -6.786 -18.424 -5.322 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -8.811 -19.721 -2.729 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -8.538 -19.649 -4.473 1.00 0.00 H new ATOM 269 N GLU A 41 -5.666 -14.106 -2.446 1.00 0.00 N ATOM 270 CA GLU A 41 -5.784 -13.917 -3.890 1.00 0.00 C ATOM 271 C GLU A 41 -5.500 -12.473 -4.298 1.00 0.00 C ATOM 272 O GLU A 41 -5.394 -12.171 -5.486 1.00 0.00 O ATOM 273 CB GLU A 41 -7.172 -14.311 -4.383 1.00 0.00 C ATOM 274 CG GLU A 41 -8.288 -13.484 -3.791 1.00 0.00 C ATOM 275 CD GLU A 41 -9.612 -13.786 -4.409 1.00 0.00 C ATOM 276 OE1 GLU A 41 -10.037 -14.950 -4.396 1.00 0.00 O ATOM 277 OE2 GLU A 41 -10.250 -12.866 -4.953 1.00 0.00 O ATOM 0 H GLU A 41 -6.536 -13.977 -1.930 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.038 -14.564 -4.351 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -7.201 -14.219 -5.469 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -7.346 -15.361 -4.147 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -8.341 -13.667 -2.718 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -8.062 -12.426 -3.923 1.00 0.00 H new ATOM 284 N LEU A 42 -5.391 -11.592 -3.330 1.00 0.00 N ATOM 285 CA LEU A 42 -5.169 -10.198 -3.622 1.00 0.00 C ATOM 286 C LEU A 42 -3.720 -9.936 -3.908 1.00 0.00 C ATOM 287 O LEU A 42 -2.836 -10.316 -3.133 1.00 0.00 O ATOM 288 CB LEU A 42 -5.720 -9.285 -2.518 1.00 0.00 C ATOM 289 CG LEU A 42 -7.250 -9.156 -2.473 1.00 0.00 C ATOM 290 CD1 LEU A 42 -7.694 -8.343 -1.269 1.00 0.00 C ATOM 291 CD2 LEU A 42 -7.765 -8.505 -3.747 1.00 0.00 C ATOM 0 H LEU A 42 -5.452 -11.817 -2.337 1.00 0.00 H new ATOM 0 HA LEU A 42 -5.728 -9.954 -4.525 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.375 -9.660 -1.554 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.292 -8.291 -2.645 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.667 -10.160 -2.388 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.781 -8.267 -1.262 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.358 -8.833 -0.355 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.261 -7.344 -1.325 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -8.851 -8.421 -3.699 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -7.328 -7.512 -3.850 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -7.486 -9.115 -4.606 1.00 0.00 H new ATOM 303 N THR A 43 -3.486 -9.343 -5.033 1.00 0.00 N ATOM 304 CA THR A 43 -2.165 -9.053 -5.475 1.00 0.00 C ATOM 305 C THR A 43 -1.895 -7.568 -5.365 1.00 0.00 C ATOM 306 O THR A 43 -2.812 -6.775 -5.048 1.00 0.00 O ATOM 307 CB THR A 43 -1.959 -9.511 -6.937 1.00 0.00 C ATOM 308 OG1 THR A 43 -2.932 -8.881 -7.806 1.00 0.00 O ATOM 309 CG2 THR A 43 -2.078 -11.024 -7.053 1.00 0.00 C ATOM 0 H THR A 43 -4.217 -9.043 -5.678 1.00 0.00 H new ATOM 0 HA THR A 43 -1.467 -9.597 -4.839 1.00 0.00 H new ATOM 0 HB THR A 43 -0.956 -9.213 -7.243 1.00 0.00 H new ATOM 0 HG1 THR A 43 -3.831 -9.189 -7.567 1.00 0.00 H new ATOM 0 HG21 THR A 43 -1.929 -11.322 -8.091 1.00 0.00 H new ATOM 0 HG22 THR A 43 -1.321 -11.498 -6.427 1.00 0.00 H new ATOM 0 HG23 THR A 43 -3.069 -11.337 -6.724 1.00 0.00 H new ATOM 317 N GLU A 44 -0.655 -7.195 -5.618 1.00 0.00 N ATOM 318 CA GLU A 44 -0.224 -5.828 -5.625 1.00 0.00 C ATOM 319 C GLU A 44 -1.041 -5.049 -6.625 1.00 0.00 C ATOM 320 O GLU A 44 -1.461 -3.951 -6.348 1.00 0.00 O ATOM 321 CB GLU A 44 1.272 -5.702 -5.982 1.00 0.00 C ATOM 322 CG GLU A 44 2.232 -6.456 -5.062 1.00 0.00 C ATOM 323 CD GLU A 44 2.443 -7.924 -5.424 1.00 0.00 C ATOM 324 OE1 GLU A 44 1.475 -8.656 -5.727 1.00 0.00 O ATOM 325 OE2 GLU A 44 3.597 -8.377 -5.411 1.00 0.00 O ATOM 0 H GLU A 44 0.091 -7.858 -5.828 1.00 0.00 H new ATOM 0 HA GLU A 44 -0.367 -5.427 -4.622 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.416 -6.060 -7.001 1.00 0.00 H new ATOM 0 HB3 GLU A 44 1.542 -4.646 -5.974 1.00 0.00 H new ATOM 0 HG2 GLU A 44 3.198 -5.951 -5.075 1.00 0.00 H new ATOM 0 HG3 GLU A 44 1.855 -6.398 -4.041 1.00 0.00 H new ATOM 332 N GLY A 45 -1.299 -5.668 -7.769 1.00 0.00 N ATOM 333 CA GLY A 45 -2.086 -5.052 -8.813 1.00 0.00 C ATOM 334 C GLY A 45 -3.486 -4.689 -8.352 1.00 0.00 C ATOM 335 O GLY A 45 -4.001 -3.622 -8.704 1.00 0.00 O ATOM 0 H GLY A 45 -0.968 -6.606 -7.993 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -1.578 -4.153 -9.163 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -2.152 -5.732 -9.662 1.00 0.00 H new ATOM 339 N ASP A 46 -4.091 -5.551 -7.533 1.00 0.00 N ATOM 340 CA ASP A 46 -5.436 -5.287 -7.014 1.00 0.00 C ATOM 341 C ASP A 46 -5.384 -4.111 -6.086 1.00 0.00 C ATOM 342 O ASP A 46 -6.150 -3.155 -6.229 1.00 0.00 O ATOM 343 CB ASP A 46 -6.020 -6.491 -6.259 1.00 0.00 C ATOM 344 CG ASP A 46 -6.172 -7.731 -7.098 1.00 0.00 C ATOM 345 OD1 ASP A 46 -7.111 -7.804 -7.918 1.00 0.00 O ATOM 346 OD2 ASP A 46 -5.365 -8.670 -6.933 1.00 0.00 O ATOM 0 H ASP A 46 -3.678 -6.428 -7.217 1.00 0.00 H new ATOM 0 HA ASP A 46 -6.082 -5.085 -7.868 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.378 -6.718 -5.408 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -6.995 -6.216 -5.858 1.00 0.00 H new ATOM 351 N ILE A 47 -4.435 -4.164 -5.167 1.00 0.00 N ATOM 352 CA ILE A 47 -4.229 -3.112 -4.195 1.00 0.00 C ATOM 353 C ILE A 47 -3.920 -1.787 -4.893 1.00 0.00 C ATOM 354 O ILE A 47 -4.555 -0.781 -4.623 1.00 0.00 O ATOM 355 CB ILE A 47 -3.089 -3.476 -3.198 1.00 0.00 C ATOM 356 CG1 ILE A 47 -3.500 -4.670 -2.327 1.00 0.00 C ATOM 357 CG2 ILE A 47 -2.694 -2.283 -2.335 1.00 0.00 C ATOM 358 CD1 ILE A 47 -2.461 -5.067 -1.295 1.00 0.00 C ATOM 0 H ILE A 47 -3.784 -4.944 -5.076 1.00 0.00 H new ATOM 0 HA ILE A 47 -5.152 -3.002 -3.626 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.213 -3.757 -3.782 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -4.432 -4.430 -1.815 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -3.702 -5.525 -2.972 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.896 -2.576 -1.652 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -2.345 -1.472 -2.974 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -3.558 -1.947 -1.761 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.826 -5.918 -0.720 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -1.534 -5.340 -1.799 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.276 -4.228 -0.624 1.00 0.00 H new ATOM 370 N LEU A 48 -3.014 -1.831 -5.848 1.00 0.00 N ATOM 371 CA LEU A 48 -2.571 -0.647 -6.559 1.00 0.00 C ATOM 372 C LEU A 48 -3.703 0.026 -7.256 1.00 0.00 C ATOM 373 O LEU A 48 -3.836 1.221 -7.157 1.00 0.00 O ATOM 374 CB LEU A 48 -1.482 -0.985 -7.572 1.00 0.00 C ATOM 375 CG LEU A 48 -0.087 -1.236 -7.017 1.00 0.00 C ATOM 376 CD1 LEU A 48 0.807 -1.795 -8.103 1.00 0.00 C ATOM 377 CD2 LEU A 48 0.508 0.057 -6.474 1.00 0.00 C ATOM 0 H LEU A 48 -2.562 -2.692 -6.155 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.163 0.035 -5.813 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.794 -1.872 -8.123 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.420 -0.168 -8.291 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.160 -1.958 -6.204 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.804 -1.972 -7.699 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.392 -2.734 -8.469 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.870 -1.082 -8.925 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.506 -0.139 -6.081 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.572 0.793 -7.276 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.127 0.443 -5.677 1.00 0.00 H new ATOM 389 N THR A 49 -4.535 -0.741 -7.916 1.00 0.00 N ATOM 390 CA THR A 49 -5.643 -0.184 -8.648 1.00 0.00 C ATOM 391 C THR A 49 -6.618 0.564 -7.720 1.00 0.00 C ATOM 392 O THR A 49 -7.005 1.704 -7.998 1.00 0.00 O ATOM 393 CB THR A 49 -6.398 -1.290 -9.379 1.00 0.00 C ATOM 394 OG1 THR A 49 -5.495 -2.010 -10.236 1.00 0.00 O ATOM 395 CG2 THR A 49 -7.505 -0.689 -10.197 1.00 0.00 C ATOM 0 H THR A 49 -4.464 -1.758 -7.961 1.00 0.00 H new ATOM 0 HA THR A 49 -5.235 0.528 -9.366 1.00 0.00 H new ATOM 0 HB THR A 49 -6.824 -1.979 -8.649 1.00 0.00 H new ATOM 0 HG1 THR A 49 -5.172 -2.810 -9.772 1.00 0.00 H new ATOM 0 HG21 THR A 49 -8.043 -1.481 -10.718 1.00 0.00 H new ATOM 0 HG22 THR A 49 -8.192 -0.154 -9.542 1.00 0.00 H new ATOM 0 HG23 THR A 49 -7.084 0.004 -10.925 1.00 0.00 H new ATOM 403 N VAL A 50 -6.951 -0.063 -6.613 1.00 0.00 N ATOM 404 CA VAL A 50 -7.877 0.499 -5.655 1.00 0.00 C ATOM 405 C VAL A 50 -7.280 1.734 -4.985 1.00 0.00 C ATOM 406 O VAL A 50 -7.904 2.794 -4.924 1.00 0.00 O ATOM 407 CB VAL A 50 -8.266 -0.553 -4.597 1.00 0.00 C ATOM 408 CG1 VAL A 50 -9.212 0.028 -3.575 1.00 0.00 C ATOM 409 CG2 VAL A 50 -8.883 -1.766 -5.267 1.00 0.00 C ATOM 0 H VAL A 50 -6.586 -0.979 -6.352 1.00 0.00 H new ATOM 0 HA VAL A 50 -8.777 0.802 -6.190 1.00 0.00 H new ATOM 0 HB VAL A 50 -7.361 -0.863 -4.075 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -9.469 -0.736 -2.842 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.733 0.868 -3.071 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -10.118 0.373 -4.073 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -9.153 -2.502 -4.510 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -9.776 -1.464 -5.815 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -8.164 -2.205 -5.959 1.00 0.00 H new ATOM 419 N PHE A 51 -6.054 1.597 -4.545 1.00 0.00 N ATOM 420 CA PHE A 51 -5.339 2.646 -3.875 1.00 0.00 C ATOM 421 C PHE A 51 -5.061 3.825 -4.806 1.00 0.00 C ATOM 422 O PHE A 51 -4.954 4.967 -4.369 1.00 0.00 O ATOM 423 CB PHE A 51 -4.081 2.078 -3.218 1.00 0.00 C ATOM 424 CG PHE A 51 -4.365 1.249 -1.948 1.00 0.00 C ATOM 425 CD1 PHE A 51 -5.291 0.212 -1.941 1.00 0.00 C ATOM 426 CD2 PHE A 51 -3.688 1.510 -0.778 1.00 0.00 C ATOM 427 CE1 PHE A 51 -5.520 -0.535 -0.806 1.00 0.00 C ATOM 428 CE2 PHE A 51 -3.916 0.775 0.355 1.00 0.00 C ATOM 429 CZ PHE A 51 -4.825 -0.250 0.350 1.00 0.00 C ATOM 0 H PHE A 51 -5.518 0.735 -4.646 1.00 0.00 H new ATOM 0 HA PHE A 51 -5.963 3.053 -3.079 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -3.556 1.452 -3.940 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -3.412 2.900 -2.963 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -5.842 -0.012 -2.843 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -2.963 2.310 -0.753 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -6.240 -1.340 -0.822 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -3.374 1.006 1.260 1.00 0.00 H new ATOM 0 HZ PHE A 51 -4.996 -0.830 1.245 1.00 0.00 H new ATOM 439 N SER A 52 -5.043 3.553 -6.099 1.00 0.00 N ATOM 440 CA SER A 52 -4.871 4.589 -7.093 1.00 0.00 C ATOM 441 C SER A 52 -6.093 5.491 -7.207 1.00 0.00 C ATOM 442 O SER A 52 -5.992 6.587 -7.738 1.00 0.00 O ATOM 443 CB SER A 52 -4.535 4.008 -8.444 1.00 0.00 C ATOM 444 OG SER A 52 -3.272 3.396 -8.442 1.00 0.00 O ATOM 0 H SER A 52 -5.147 2.614 -6.484 1.00 0.00 H new ATOM 0 HA SER A 52 -4.034 5.199 -6.754 1.00 0.00 H new ATOM 0 HB2 SER A 52 -5.294 3.278 -8.726 1.00 0.00 H new ATOM 0 HB3 SER A 52 -4.557 4.797 -9.196 1.00 0.00 H new ATOM 0 HG SER A 52 -3.271 2.649 -7.807 1.00 0.00 H new ATOM 450 N GLU A 53 -7.247 5.050 -6.724 1.00 0.00 N ATOM 451 CA GLU A 53 -8.402 5.924 -6.760 1.00 0.00 C ATOM 452 C GLU A 53 -8.242 6.964 -5.645 1.00 0.00 C ATOM 453 O GLU A 53 -8.693 8.123 -5.760 1.00 0.00 O ATOM 454 CB GLU A 53 -9.720 5.168 -6.551 1.00 0.00 C ATOM 455 CG GLU A 53 -10.924 6.001 -6.972 1.00 0.00 C ATOM 456 CD GLU A 53 -12.221 5.617 -6.308 1.00 0.00 C ATOM 457 OE1 GLU A 53 -12.777 4.533 -6.580 1.00 0.00 O ATOM 458 OE2 GLU A 53 -12.756 6.462 -5.543 1.00 0.00 O ATOM 0 H GLU A 53 -7.403 4.127 -6.318 1.00 0.00 H new ATOM 0 HA GLU A 53 -8.449 6.387 -7.745 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -9.702 4.241 -7.124 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -9.818 4.892 -5.501 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -10.717 7.049 -6.755 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -11.046 5.918 -8.052 1.00 0.00 H new ATOM 465 N TYR A 54 -7.544 6.558 -4.588 1.00 0.00 N ATOM 466 CA TYR A 54 -7.358 7.385 -3.423 1.00 0.00 C ATOM 467 C TYR A 54 -6.159 8.309 -3.587 1.00 0.00 C ATOM 468 O TYR A 54 -6.096 9.376 -2.965 1.00 0.00 O ATOM 469 CB TYR A 54 -7.226 6.525 -2.172 1.00 0.00 C ATOM 470 CG TYR A 54 -8.423 5.619 -1.947 1.00 0.00 C ATOM 471 CD1 TYR A 54 -9.696 6.141 -1.745 1.00 0.00 C ATOM 472 CD2 TYR A 54 -8.284 4.248 -1.963 1.00 0.00 C ATOM 473 CE1 TYR A 54 -10.783 5.307 -1.559 1.00 0.00 C ATOM 474 CE2 TYR A 54 -9.360 3.411 -1.784 1.00 0.00 C ATOM 475 CZ TYR A 54 -10.607 3.944 -1.580 1.00 0.00 C ATOM 476 OH TYR A 54 -11.690 3.109 -1.402 1.00 0.00 O ATOM 0 H TYR A 54 -7.095 5.644 -4.525 1.00 0.00 H new ATOM 0 HA TYR A 54 -8.241 8.015 -3.310 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -6.326 5.916 -2.250 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -7.099 7.172 -1.304 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -9.837 7.212 -1.733 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -7.305 3.820 -2.120 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -11.766 5.725 -1.398 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -9.224 2.340 -1.804 1.00 0.00 H new ATOM 0 HH TYR A 54 -11.394 2.176 -1.446 1.00 0.00 H new ATOM 486 N GLY A 55 -5.240 7.936 -4.445 1.00 0.00 N ATOM 487 CA GLY A 55 -4.109 8.772 -4.703 1.00 0.00 C ATOM 488 C GLY A 55 -3.147 8.153 -5.657 1.00 0.00 C ATOM 489 O GLY A 55 -3.522 7.303 -6.452 1.00 0.00 O ATOM 0 H GLY A 55 -5.259 7.062 -4.971 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.451 9.726 -5.105 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.598 8.986 -3.764 1.00 0.00 H new ATOM 493 N VAL A 56 -1.915 8.571 -5.586 1.00 0.00 N ATOM 494 CA VAL A 56 -0.894 8.058 -6.457 1.00 0.00 C ATOM 495 C VAL A 56 0.040 7.155 -5.669 1.00 0.00 C ATOM 496 O VAL A 56 0.799 7.629 -4.802 1.00 0.00 O ATOM 497 CB VAL A 56 -0.077 9.196 -7.130 1.00 0.00 C ATOM 498 CG1 VAL A 56 1.010 8.632 -8.040 1.00 0.00 C ATOM 499 CG2 VAL A 56 -0.993 10.107 -7.921 1.00 0.00 C ATOM 0 H VAL A 56 -1.590 9.276 -4.924 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.386 7.492 -7.248 1.00 0.00 H new ATOM 0 HB VAL A 56 0.404 9.773 -6.340 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.564 9.452 -8.496 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.691 8.015 -7.454 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.552 8.025 -8.821 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.406 10.899 -8.386 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.501 9.530 -8.694 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.732 10.549 -7.253 1.00 0.00 H new ATOM 509 N PRO A 57 -0.031 5.848 -5.907 1.00 0.00 N ATOM 510 CA PRO A 57 0.836 4.902 -5.255 1.00 0.00 C ATOM 511 C PRO A 57 2.223 4.953 -5.881 1.00 0.00 C ATOM 512 O PRO A 57 2.370 5.057 -7.102 1.00 0.00 O ATOM 513 CB PRO A 57 0.165 3.557 -5.535 1.00 0.00 C ATOM 514 CG PRO A 57 -0.541 3.750 -6.823 1.00 0.00 C ATOM 515 CD PRO A 57 -0.962 5.191 -6.851 1.00 0.00 C ATOM 0 HA PRO A 57 0.968 5.094 -4.190 1.00 0.00 H new ATOM 0 HB2 PRO A 57 0.899 2.754 -5.602 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.529 3.288 -4.739 1.00 0.00 H new ATOM 0 HG2 PRO A 57 0.112 3.518 -7.665 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -1.405 3.089 -6.898 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.880 5.613 -7.853 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -1.999 5.311 -6.539 1.00 0.00 H new ATOM 523 N VAL A 58 3.229 4.925 -5.069 1.00 0.00 N ATOM 524 CA VAL A 58 4.574 4.971 -5.594 1.00 0.00 C ATOM 525 C VAL A 58 5.308 3.666 -5.336 1.00 0.00 C ATOM 526 O VAL A 58 6.245 3.304 -6.066 1.00 0.00 O ATOM 527 CB VAL A 58 5.384 6.201 -5.082 1.00 0.00 C ATOM 528 CG1 VAL A 58 4.740 7.494 -5.523 1.00 0.00 C ATOM 529 CG2 VAL A 58 5.515 6.204 -3.590 1.00 0.00 C ATOM 0 H VAL A 58 3.159 4.871 -4.053 1.00 0.00 H new ATOM 0 HA VAL A 58 4.484 5.099 -6.673 1.00 0.00 H new ATOM 0 HB VAL A 58 6.380 6.121 -5.518 1.00 0.00 H new ATOM 0 HG11 VAL A 58 5.324 8.336 -5.153 1.00 0.00 H new ATOM 0 HG12 VAL A 58 4.702 7.529 -6.612 1.00 0.00 H new ATOM 0 HG13 VAL A 58 3.728 7.551 -5.123 1.00 0.00 H new ATOM 0 HG21 VAL A 58 6.086 7.078 -3.277 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.524 6.237 -3.138 1.00 0.00 H new ATOM 0 HG23 VAL A 58 6.031 5.299 -3.268 1.00 0.00 H new ATOM 539 N ASP A 59 4.866 2.940 -4.324 1.00 0.00 N ATOM 540 CA ASP A 59 5.466 1.660 -3.986 1.00 0.00 C ATOM 541 C ASP A 59 4.478 0.841 -3.200 1.00 0.00 C ATOM 542 O ASP A 59 3.705 1.403 -2.403 1.00 0.00 O ATOM 543 CB ASP A 59 6.738 1.851 -3.156 1.00 0.00 C ATOM 544 CG ASP A 59 7.513 0.561 -2.968 1.00 0.00 C ATOM 545 OD1 ASP A 59 8.038 0.013 -3.972 1.00 0.00 O ATOM 546 OD2 ASP A 59 7.653 0.095 -1.830 1.00 0.00 O ATOM 0 H ASP A 59 4.092 3.216 -3.720 1.00 0.00 H new ATOM 0 HA ASP A 59 5.731 1.147 -4.911 1.00 0.00 H new ATOM 0 HB2 ASP A 59 7.378 2.587 -3.643 1.00 0.00 H new ATOM 0 HB3 ASP A 59 6.472 2.256 -2.180 1.00 0.00 H new ATOM 551 N VAL A 60 4.467 -0.445 -3.436 1.00 0.00 N ATOM 552 CA VAL A 60 3.598 -1.352 -2.726 1.00 0.00 C ATOM 553 C VAL A 60 4.367 -2.641 -2.432 1.00 0.00 C ATOM 554 O VAL A 60 5.157 -3.107 -3.266 1.00 0.00 O ATOM 555 CB VAL A 60 2.291 -1.655 -3.542 1.00 0.00 C ATOM 556 CG1 VAL A 60 2.587 -2.390 -4.832 1.00 0.00 C ATOM 557 CG2 VAL A 60 1.254 -2.407 -2.711 1.00 0.00 C ATOM 0 H VAL A 60 5.063 -0.897 -4.130 1.00 0.00 H new ATOM 0 HA VAL A 60 3.287 -0.887 -1.790 1.00 0.00 H new ATOM 0 HB VAL A 60 1.861 -0.688 -3.803 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.655 -2.579 -5.365 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.244 -1.782 -5.454 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.075 -3.338 -4.607 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.368 -2.594 -3.318 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.673 -3.357 -2.379 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.980 -1.808 -1.843 1.00 0.00 H new ATOM 567 N ILE A 61 4.236 -3.140 -1.231 1.00 0.00 N ATOM 568 CA ILE A 61 4.842 -4.392 -0.843 1.00 0.00 C ATOM 569 C ILE A 61 3.766 -5.333 -0.391 1.00 0.00 C ATOM 570 O ILE A 61 2.926 -4.965 0.439 1.00 0.00 O ATOM 571 CB ILE A 61 5.869 -4.213 0.301 1.00 0.00 C ATOM 572 CG1 ILE A 61 6.956 -3.243 -0.126 1.00 0.00 C ATOM 573 CG2 ILE A 61 6.488 -5.563 0.698 1.00 0.00 C ATOM 574 CD1 ILE A 61 7.868 -2.842 0.991 1.00 0.00 C ATOM 0 H ILE A 61 3.703 -2.688 -0.488 1.00 0.00 H new ATOM 0 HA ILE A 61 5.373 -4.790 -1.708 1.00 0.00 H new ATOM 0 HB ILE A 61 5.350 -3.808 1.170 1.00 0.00 H new ATOM 0 HG12 ILE A 61 7.546 -3.698 -0.921 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.492 -2.350 -0.544 1.00 0.00 H new ATOM 0 HG21 ILE A 61 7.206 -5.411 1.504 1.00 0.00 H new ATOM 0 HG22 ILE A 61 5.702 -6.239 1.035 1.00 0.00 H new ATOM 0 HG23 ILE A 61 6.995 -5.998 -0.163 1.00 0.00 H new ATOM 0 HD11 ILE A 61 8.620 -2.148 0.615 1.00 0.00 H new ATOM 0 HD12 ILE A 61 7.289 -2.358 1.778 1.00 0.00 H new ATOM 0 HD13 ILE A 61 8.360 -3.727 1.395 1.00 0.00 H new ATOM 586 N LEU A 62 3.758 -6.504 -0.933 1.00 0.00 N ATOM 587 CA LEU A 62 2.842 -7.500 -0.500 1.00 0.00 C ATOM 588 C LEU A 62 3.639 -8.434 0.385 1.00 0.00 C ATOM 589 O LEU A 62 4.652 -8.987 -0.055 1.00 0.00 O ATOM 590 CB LEU A 62 2.290 -8.274 -1.699 1.00 0.00 C ATOM 591 CG LEU A 62 0.826 -8.738 -1.621 1.00 0.00 C ATOM 592 CD1 LEU A 62 0.518 -9.475 -0.335 1.00 0.00 C ATOM 593 CD2 LEU A 62 -0.109 -7.574 -1.818 1.00 0.00 C ATOM 0 H LEU A 62 4.383 -6.795 -1.684 1.00 0.00 H new ATOM 0 HA LEU A 62 1.995 -7.059 0.026 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.400 -7.648 -2.585 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.916 -9.154 -1.851 1.00 0.00 H new ATOM 0 HG LEU A 62 0.671 -9.451 -2.431 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.528 -9.780 -0.332 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.153 -10.357 -0.260 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.707 -8.819 0.515 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.140 -7.922 -1.760 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.068 -6.830 -1.041 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.068 -7.127 -2.796 1.00 0.00 H new ATOM 605 N SER A 63 3.238 -8.577 1.611 1.00 0.00 N ATOM 606 CA SER A 63 3.925 -9.427 2.510 1.00 0.00 C ATOM 607 C SER A 63 3.479 -10.844 2.253 1.00 0.00 C ATOM 608 O SER A 63 2.288 -11.158 2.368 1.00 0.00 O ATOM 609 CB SER A 63 3.577 -8.989 3.899 1.00 0.00 C ATOM 610 OG SER A 63 3.808 -7.590 4.021 1.00 0.00 O ATOM 0 H SER A 63 2.426 -8.105 2.008 1.00 0.00 H new ATOM 0 HA SER A 63 5.006 -9.377 2.380 1.00 0.00 H new ATOM 0 HB2 SER A 63 2.533 -9.217 4.114 1.00 0.00 H new ATOM 0 HB3 SER A 63 4.179 -9.534 4.626 1.00 0.00 H new ATOM 0 HG SER A 63 3.603 -7.303 4.935 1.00 0.00 H new ATOM 616 N ARG A 64 4.393 -11.678 1.857 1.00 0.00 N ATOM 617 CA ARG A 64 4.092 -13.042 1.540 1.00 0.00 C ATOM 618 C ARG A 64 4.925 -13.979 2.340 1.00 0.00 C ATOM 619 O ARG A 64 6.067 -13.674 2.687 1.00 0.00 O ATOM 620 CB ARG A 64 4.263 -13.313 0.050 1.00 0.00 C ATOM 621 CG ARG A 64 3.193 -12.682 -0.792 1.00 0.00 C ATOM 622 CD ARG A 64 3.403 -12.932 -2.255 1.00 0.00 C ATOM 623 NE ARG A 64 2.279 -12.412 -3.015 1.00 0.00 N ATOM 624 CZ ARG A 64 2.314 -11.355 -3.814 1.00 0.00 C ATOM 625 NH1 ARG A 64 3.456 -10.698 -4.017 1.00 0.00 N ATOM 626 NH2 ARG A 64 1.199 -10.950 -4.400 1.00 0.00 N ATOM 0 H ARG A 64 5.376 -11.429 1.744 1.00 0.00 H new ATOM 0 HA ARG A 64 3.047 -13.213 1.799 1.00 0.00 H new ATOM 0 HB2 ARG A 64 5.236 -12.941 -0.271 1.00 0.00 H new ATOM 0 HB3 ARG A 64 4.262 -14.390 -0.119 1.00 0.00 H new ATOM 0 HG2 ARG A 64 2.220 -13.074 -0.494 1.00 0.00 H new ATOM 0 HG3 ARG A 64 3.174 -11.608 -0.608 1.00 0.00 H new ATOM 0 HD2 ARG A 64 4.327 -12.456 -2.585 1.00 0.00 H new ATOM 0 HD3 ARG A 64 3.512 -14.001 -2.438 1.00 0.00 H new ATOM 0 HE ARG A 64 1.388 -12.901 -2.926 1.00 0.00 H new ATOM 0 HH11 ARG A 64 4.311 -11.008 -3.556 1.00 0.00 H new ATOM 0 HH12 ARG A 64 3.474 -9.886 -4.633 1.00 0.00 H new ATOM 0 HH21 ARG A 64 0.325 -11.450 -4.235 1.00 0.00 H new ATOM 0 HH22 ARG A 64 1.213 -10.138 -5.017 1.00 0.00 H new ATOM 728 N GLN A 72 0.497 -12.836 3.466 1.00 0.00 N ATOM 729 CA GLN A 72 0.449 -13.042 4.896 1.00 0.00 C ATOM 730 C GLN A 72 -0.784 -12.422 5.512 1.00 0.00 C ATOM 731 O GLN A 72 -0.968 -12.455 6.723 1.00 0.00 O ATOM 732 CB GLN A 72 1.708 -12.524 5.564 1.00 0.00 C ATOM 733 CG GLN A 72 2.961 -13.204 5.075 1.00 0.00 C ATOM 734 CD GLN A 72 4.112 -13.061 6.025 1.00 0.00 C ATOM 735 OE1 GLN A 72 4.880 -12.101 5.972 1.00 0.00 O ATOM 736 NE2 GLN A 72 4.263 -14.032 6.873 1.00 0.00 N ATOM 0 HA GLN A 72 0.392 -14.117 5.066 1.00 0.00 H new ATOM 0 HB2 GLN A 72 1.791 -11.452 5.387 1.00 0.00 H new ATOM 0 HB3 GLN A 72 1.624 -12.663 6.642 1.00 0.00 H new ATOM 0 HG2 GLN A 72 2.756 -14.263 4.918 1.00 0.00 H new ATOM 0 HG3 GLN A 72 3.241 -12.787 4.108 1.00 0.00 H new ATOM 0 HE21 GLN A 72 3.602 -14.809 6.882 1.00 0.00 H new ATOM 0 HE22 GLN A 72 5.043 -14.018 7.530 1.00 0.00 H new ATOM 745 N GLY A 73 -1.637 -11.886 4.674 1.00 0.00 N ATOM 746 CA GLY A 73 -2.846 -11.283 5.141 1.00 0.00 C ATOM 747 C GLY A 73 -2.670 -9.825 5.433 1.00 0.00 C ATOM 748 O GLY A 73 -3.534 -9.205 6.042 1.00 0.00 O ATOM 0 H GLY A 73 -1.509 -11.859 3.662 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -3.628 -11.411 4.392 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -3.182 -11.795 6.043 1.00 0.00 H new ATOM 752 N PHE A 74 -1.572 -9.264 4.987 1.00 0.00 N ATOM 753 CA PHE A 74 -1.317 -7.867 5.164 1.00 0.00 C ATOM 754 C PHE A 74 -0.385 -7.395 4.064 1.00 0.00 C ATOM 755 O PHE A 74 0.295 -8.223 3.432 1.00 0.00 O ATOM 756 CB PHE A 74 -0.755 -7.552 6.577 1.00 0.00 C ATOM 757 CG PHE A 74 0.619 -8.073 6.869 1.00 0.00 C ATOM 758 CD1 PHE A 74 0.817 -9.364 7.318 1.00 0.00 C ATOM 759 CD2 PHE A 74 1.713 -7.255 6.701 1.00 0.00 C ATOM 760 CE1 PHE A 74 2.089 -9.825 7.588 1.00 0.00 C ATOM 761 CE2 PHE A 74 2.981 -7.705 6.970 1.00 0.00 C ATOM 762 CZ PHE A 74 3.171 -8.991 7.410 1.00 0.00 C ATOM 0 H PHE A 74 -0.835 -9.768 4.493 1.00 0.00 H new ATOM 0 HA PHE A 74 -2.258 -7.322 5.092 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -0.748 -6.470 6.710 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -1.442 -7.960 7.319 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -0.031 -10.018 7.459 1.00 0.00 H new ATOM 0 HD2 PHE A 74 1.571 -6.243 6.352 1.00 0.00 H new ATOM 0 HE1 PHE A 74 2.236 -10.836 7.938 1.00 0.00 H new ATOM 0 HE2 PHE A 74 3.828 -7.048 6.836 1.00 0.00 H new ATOM 0 HZ PHE A 74 4.169 -9.349 7.617 1.00 0.00 H new ATOM 772 N ALA A 75 -0.382 -6.108 3.809 1.00 0.00 N ATOM 773 CA ALA A 75 0.448 -5.512 2.797 1.00 0.00 C ATOM 774 C ALA A 75 0.766 -4.065 3.165 1.00 0.00 C ATOM 775 O ALA A 75 0.295 -3.554 4.196 1.00 0.00 O ATOM 776 CB ALA A 75 -0.242 -5.582 1.453 1.00 0.00 C ATOM 0 H ALA A 75 -0.966 -5.438 4.308 1.00 0.00 H new ATOM 0 HA ALA A 75 1.385 -6.065 2.733 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.394 -5.128 0.693 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.430 -6.624 1.194 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -1.189 -5.044 1.502 1.00 0.00 H new ATOM 782 N TYR A 76 1.575 -3.431 2.360 1.00 0.00 N ATOM 783 CA TYR A 76 1.984 -2.055 2.564 1.00 0.00 C ATOM 784 C TYR A 76 1.942 -1.301 1.251 1.00 0.00 C ATOM 785 O TYR A 76 2.250 -1.869 0.215 1.00 0.00 O ATOM 786 CB TYR A 76 3.411 -2.045 3.145 1.00 0.00 C ATOM 787 CG TYR A 76 4.258 -0.835 2.795 1.00 0.00 C ATOM 788 CD1 TYR A 76 4.155 0.364 3.477 1.00 0.00 C ATOM 789 CD2 TYR A 76 5.188 -0.925 1.783 1.00 0.00 C ATOM 790 CE1 TYR A 76 4.974 1.427 3.144 1.00 0.00 C ATOM 791 CE2 TYR A 76 5.993 0.120 1.444 1.00 0.00 C ATOM 792 CZ TYR A 76 5.891 1.288 2.120 1.00 0.00 C ATOM 793 OH TYR A 76 6.730 2.314 1.799 1.00 0.00 O ATOM 0 H TYR A 76 1.979 -3.858 1.527 1.00 0.00 H new ATOM 0 HA TYR A 76 1.304 -1.564 3.260 1.00 0.00 H new ATOM 0 HB2 TYR A 76 3.342 -2.115 4.231 1.00 0.00 H new ATOM 0 HB3 TYR A 76 3.930 -2.940 2.801 1.00 0.00 H new ATOM 0 HD1 TYR A 76 3.432 0.470 4.272 1.00 0.00 H new ATOM 0 HD2 TYR A 76 5.282 -1.854 1.241 1.00 0.00 H new ATOM 0 HE1 TYR A 76 4.897 2.361 3.681 1.00 0.00 H new ATOM 0 HE2 TYR A 76 6.708 0.017 0.641 1.00 0.00 H new ATOM 0 HH TYR A 76 6.572 3.068 2.405 1.00 0.00 H new ATOM 803 N LEU A 77 1.579 -0.037 1.298 1.00 0.00 N ATOM 804 CA LEU A 77 1.572 0.805 0.131 1.00 0.00 C ATOM 805 C LEU A 77 1.866 2.225 0.574 1.00 0.00 C ATOM 806 O LEU A 77 1.439 2.638 1.648 1.00 0.00 O ATOM 807 CB LEU A 77 0.234 0.682 -0.658 1.00 0.00 C ATOM 808 CG LEU A 77 0.159 1.405 -2.031 1.00 0.00 C ATOM 809 CD1 LEU A 77 -0.862 0.738 -2.922 1.00 0.00 C ATOM 810 CD2 LEU A 77 -0.237 2.856 -1.861 1.00 0.00 C ATOM 0 H LEU A 77 1.280 0.433 2.152 1.00 0.00 H new ATOM 0 HA LEU A 77 2.345 0.486 -0.568 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.032 -0.377 -0.821 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.568 1.066 -0.028 1.00 0.00 H new ATOM 0 HG LEU A 77 1.149 1.348 -2.483 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.903 1.256 -3.880 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.579 -0.302 -3.084 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.842 0.778 -2.446 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.282 3.338 -2.838 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.215 2.913 -1.383 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.500 3.364 -1.239 1.00 0.00 H new ATOM 822 N LYS A 78 2.641 2.929 -0.204 1.00 0.00 N ATOM 823 CA LYS A 78 2.992 4.291 0.102 1.00 0.00 C ATOM 824 C LYS A 78 2.582 5.188 -1.046 1.00 0.00 C ATOM 825 O LYS A 78 2.643 4.787 -2.236 1.00 0.00 O ATOM 826 CB LYS A 78 4.485 4.463 0.397 1.00 0.00 C ATOM 827 CG LYS A 78 5.374 4.156 -0.771 1.00 0.00 C ATOM 828 CD LYS A 78 6.824 4.553 -0.530 1.00 0.00 C ATOM 829 CE LYS A 78 7.005 6.057 -0.373 1.00 0.00 C ATOM 830 NZ LYS A 78 8.434 6.420 -0.295 1.00 0.00 N ATOM 0 H LYS A 78 3.048 2.575 -1.070 1.00 0.00 H new ATOM 0 HA LYS A 78 2.456 4.572 1.009 1.00 0.00 H new ATOM 0 HB2 LYS A 78 4.666 5.488 0.719 1.00 0.00 H new ATOM 0 HB3 LYS A 78 4.758 3.814 1.229 1.00 0.00 H new ATOM 0 HG2 LYS A 78 5.326 3.089 -0.988 1.00 0.00 H new ATOM 0 HG3 LYS A 78 5.001 4.678 -1.652 1.00 0.00 H new ATOM 0 HD2 LYS A 78 7.189 4.052 0.367 1.00 0.00 H new ATOM 0 HD3 LYS A 78 7.435 4.203 -1.362 1.00 0.00 H new ATOM 0 HE2 LYS A 78 6.542 6.571 -1.216 1.00 0.00 H new ATOM 0 HE3 LYS A 78 6.492 6.395 0.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 8.525 7.451 -0.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 8.868 5.948 0.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 8.917 6.118 -1.165 1.00 0.00 H new ATOM 844 N TYR A 79 2.164 6.361 -0.711 1.00 0.00 N ATOM 845 CA TYR A 79 1.693 7.317 -1.680 1.00 0.00 C ATOM 846 C TYR A 79 2.655 8.444 -1.842 1.00 0.00 C ATOM 847 O TYR A 79 3.569 8.631 -1.020 1.00 0.00 O ATOM 848 CB TYR A 79 0.364 7.901 -1.266 1.00 0.00 C ATOM 849 CG TYR A 79 -0.774 6.948 -1.269 1.00 0.00 C ATOM 850 CD1 TYR A 79 -0.998 6.108 -0.203 1.00 0.00 C ATOM 851 CD2 TYR A 79 -1.649 6.914 -2.332 1.00 0.00 C ATOM 852 CE1 TYR A 79 -2.059 5.257 -0.196 1.00 0.00 C ATOM 853 CE2 TYR A 79 -2.721 6.076 -2.330 1.00 0.00 C ATOM 854 CZ TYR A 79 -2.922 5.250 -1.264 1.00 0.00 C ATOM 855 OH TYR A 79 -3.988 4.432 -1.255 1.00 0.00 O ATOM 0 H TYR A 79 2.136 6.696 0.252 1.00 0.00 H new ATOM 0 HA TYR A 79 1.590 6.778 -2.622 1.00 0.00 H new ATOM 0 HB2 TYR A 79 0.465 8.318 -0.264 1.00 0.00 H new ATOM 0 HB3 TYR A 79 0.125 8.729 -1.934 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -0.322 6.124 0.640 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -1.482 7.562 -3.180 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -2.221 4.594 0.641 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -3.406 6.065 -3.165 1.00 0.00 H new ATOM 0 HH TYR A 79 -3.802 3.659 -0.683 1.00 0.00 H new ATOM 865 N GLU A 80 2.456 9.186 -2.905 1.00 0.00 N ATOM 866 CA GLU A 80 3.204 10.385 -3.170 1.00 0.00 C ATOM 867 C GLU A 80 2.817 11.451 -2.129 1.00 0.00 C ATOM 868 O GLU A 80 3.672 12.193 -1.605 1.00 0.00 O ATOM 869 CB GLU A 80 2.894 10.873 -4.594 1.00 0.00 C ATOM 870 CG GLU A 80 3.651 12.117 -5.020 1.00 0.00 C ATOM 871 CD GLU A 80 3.346 12.523 -6.441 1.00 0.00 C ATOM 872 OE1 GLU A 80 3.885 11.894 -7.385 1.00 0.00 O ATOM 873 OE2 GLU A 80 2.582 13.492 -6.651 1.00 0.00 O ATOM 0 H GLU A 80 1.760 8.968 -3.618 1.00 0.00 H new ATOM 0 HA GLU A 80 4.274 10.191 -3.097 1.00 0.00 H new ATOM 0 HB2 GLU A 80 3.120 10.070 -5.295 1.00 0.00 H new ATOM 0 HB3 GLU A 80 1.825 11.072 -4.670 1.00 0.00 H new ATOM 0 HG2 GLU A 80 3.399 12.939 -4.349 1.00 0.00 H new ATOM 0 HG3 GLU A 80 4.722 11.939 -4.919 1.00 0.00 H new ATOM 880 N ASP A 81 1.544 11.486 -1.781 1.00 0.00 N ATOM 881 CA ASP A 81 1.070 12.469 -0.834 1.00 0.00 C ATOM 882 C ASP A 81 0.322 11.825 0.332 1.00 0.00 C ATOM 883 O ASP A 81 -0.363 10.814 0.173 1.00 0.00 O ATOM 884 CB ASP A 81 0.200 13.526 -1.514 1.00 0.00 C ATOM 885 CG ASP A 81 -0.007 14.725 -0.623 1.00 0.00 C ATOM 886 OD1 ASP A 81 -0.927 14.721 0.201 1.00 0.00 O ATOM 887 OD2 ASP A 81 0.804 15.684 -0.711 1.00 0.00 O ATOM 0 H ASP A 81 0.829 10.851 -2.137 1.00 0.00 H new ATOM 0 HA ASP A 81 1.952 12.964 -0.427 1.00 0.00 H new ATOM 0 HB2 ASP A 81 0.669 13.840 -2.446 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -0.766 13.092 -1.773 1.00 0.00 H new ATOM 892 N GLN A 82 0.464 12.427 1.496 1.00 0.00 N ATOM 893 CA GLN A 82 -0.130 11.966 2.738 1.00 0.00 C ATOM 894 C GLN A 82 -1.657 12.074 2.726 1.00 0.00 C ATOM 895 O GLN A 82 -2.340 11.282 3.352 1.00 0.00 O ATOM 896 CB GLN A 82 0.447 12.738 3.933 1.00 0.00 C ATOM 897 CG GLN A 82 1.859 12.361 4.363 1.00 0.00 C ATOM 898 CD GLN A 82 2.938 12.600 3.320 1.00 0.00 C ATOM 899 OE1 GLN A 82 2.841 13.500 2.464 1.00 0.00 O ATOM 900 NE2 GLN A 82 3.967 11.804 3.383 1.00 0.00 N ATOM 0 H GLN A 82 1.014 13.279 1.608 1.00 0.00 H new ATOM 0 HA GLN A 82 0.122 10.910 2.839 1.00 0.00 H new ATOM 0 HB2 GLN A 82 0.435 13.801 3.691 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -0.219 12.598 4.785 1.00 0.00 H new ATOM 0 HG2 GLN A 82 2.112 12.926 5.260 1.00 0.00 H new ATOM 0 HG3 GLN A 82 1.869 11.306 4.638 1.00 0.00 H new ATOM 0 HE21 GLN A 82 4.008 11.079 4.100 1.00 0.00 H new ATOM 0 HE22 GLN A 82 4.732 11.905 2.716 1.00 0.00 H new ATOM 909 N ARG A 83 -2.182 13.017 1.995 1.00 0.00 N ATOM 910 CA ARG A 83 -3.627 13.196 1.873 1.00 0.00 C ATOM 911 C ARG A 83 -4.300 11.964 1.266 1.00 0.00 C ATOM 912 O ARG A 83 -5.429 11.620 1.579 1.00 0.00 O ATOM 913 CB ARG A 83 -3.948 14.491 1.170 1.00 0.00 C ATOM 914 CG ARG A 83 -3.709 15.687 2.069 1.00 0.00 C ATOM 915 CD ARG A 83 -3.564 16.967 1.297 1.00 0.00 C ATOM 916 NE ARG A 83 -2.299 17.003 0.567 1.00 0.00 N ATOM 917 CZ ARG A 83 -1.740 18.099 0.060 1.00 0.00 C ATOM 918 NH1 ARG A 83 -2.382 19.263 0.106 1.00 0.00 N ATOM 919 NH2 ARG A 83 -0.535 18.027 -0.477 1.00 0.00 N ATOM 0 H ARG A 83 -1.632 13.690 1.461 1.00 0.00 H new ATOM 0 HA ARG A 83 -4.057 13.285 2.871 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -3.335 14.581 0.273 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -4.988 14.481 0.845 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -4.538 15.782 2.771 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -2.809 15.519 2.660 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -4.394 17.069 0.597 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -3.617 17.815 1.980 1.00 0.00 H new ATOM 0 HE ARG A 83 -1.806 16.120 0.436 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -3.307 19.319 0.531 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -1.949 20.100 -0.284 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -0.040 17.136 -0.501 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -0.100 18.863 -0.868 1.00 0.00 H new ATOM 933 N SER A 84 -3.605 11.335 0.394 1.00 0.00 N ATOM 934 CA SER A 84 -4.026 10.099 -0.193 1.00 0.00 C ATOM 935 C SER A 84 -4.119 8.973 0.861 1.00 0.00 C ATOM 936 O SER A 84 -5.023 8.137 0.792 1.00 0.00 O ATOM 937 CB SER A 84 -3.079 9.731 -1.295 1.00 0.00 C ATOM 938 OG SER A 84 -3.045 10.752 -2.264 1.00 0.00 O ATOM 0 H SER A 84 -2.702 11.666 0.053 1.00 0.00 H new ATOM 0 HA SER A 84 -5.027 10.227 -0.606 1.00 0.00 H new ATOM 0 HB2 SER A 84 -2.080 9.571 -0.889 1.00 0.00 H new ATOM 0 HB3 SER A 84 -3.390 8.793 -1.755 1.00 0.00 H new ATOM 0 HG SER A 84 -2.312 10.583 -2.892 1.00 0.00 H new ATOM 944 N THR A 85 -3.187 8.954 1.832 1.00 0.00 N ATOM 945 CA THR A 85 -3.189 7.893 2.841 1.00 0.00 C ATOM 946 C THR A 85 -4.475 7.951 3.677 1.00 0.00 C ATOM 947 O THR A 85 -5.139 6.944 3.857 1.00 0.00 O ATOM 948 CB THR A 85 -1.926 7.921 3.783 1.00 0.00 C ATOM 949 OG1 THR A 85 -1.896 9.101 4.598 1.00 0.00 O ATOM 950 CG2 THR A 85 -0.643 7.857 2.976 1.00 0.00 C ATOM 0 H THR A 85 -2.443 9.645 1.934 1.00 0.00 H new ATOM 0 HA THR A 85 -3.147 6.951 2.294 1.00 0.00 H new ATOM 0 HB THR A 85 -2.001 7.045 4.428 1.00 0.00 H new ATOM 0 HG1 THR A 85 -2.137 9.880 4.055 1.00 0.00 H new ATOM 0 HG21 THR A 85 0.213 7.878 3.651 1.00 0.00 H new ATOM 0 HG22 THR A 85 -0.624 6.935 2.395 1.00 0.00 H new ATOM 0 HG23 THR A 85 -0.594 8.712 2.302 1.00 0.00 H new ATOM 958 N ILE A 86 -4.861 9.157 4.095 1.00 0.00 N ATOM 959 CA ILE A 86 -6.072 9.363 4.886 1.00 0.00 C ATOM 960 C ILE A 86 -7.321 9.031 4.087 1.00 0.00 C ATOM 961 O ILE A 86 -8.263 8.435 4.627 1.00 0.00 O ATOM 962 CB ILE A 86 -6.142 10.784 5.511 1.00 0.00 C ATOM 963 CG1 ILE A 86 -5.894 11.846 4.458 1.00 0.00 C ATOM 964 CG2 ILE A 86 -5.152 10.918 6.646 1.00 0.00 C ATOM 965 CD1 ILE A 86 -5.730 13.227 4.998 1.00 0.00 C ATOM 0 H ILE A 86 -4.345 10.014 3.895 1.00 0.00 H new ATOM 0 HA ILE A 86 -6.024 8.665 5.722 1.00 0.00 H new ATOM 0 HB ILE A 86 -7.145 10.929 5.913 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -4.998 11.580 3.896 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -6.725 11.842 3.753 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -5.217 11.920 7.069 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -5.381 10.183 7.417 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -4.143 10.748 6.271 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -5.557 13.921 4.176 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -6.633 13.518 5.534 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -4.880 13.253 5.680 1.00 0.00 H new ATOM 977 N LEU A 87 -7.316 9.399 2.800 1.00 0.00 N ATOM 978 CA LEU A 87 -8.418 9.054 1.887 1.00 0.00 C ATOM 979 C LEU A 87 -8.581 7.552 1.780 1.00 0.00 C ATOM 980 O LEU A 87 -9.694 7.028 1.844 1.00 0.00 O ATOM 981 CB LEU A 87 -8.126 9.601 0.486 1.00 0.00 C ATOM 982 CG LEU A 87 -8.456 11.059 0.228 1.00 0.00 C ATOM 983 CD1 LEU A 87 -7.744 11.519 -1.026 1.00 0.00 C ATOM 984 CD2 LEU A 87 -9.959 11.203 0.035 1.00 0.00 C ATOM 0 H LEU A 87 -6.564 9.934 2.366 1.00 0.00 H new ATOM 0 HA LEU A 87 -9.331 9.494 2.288 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -7.066 9.453 0.280 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -8.678 8.997 -0.234 1.00 0.00 H new ATOM 0 HG LEU A 87 -8.133 11.665 1.074 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.979 12.567 -1.214 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.668 11.406 -0.895 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -8.072 10.916 -1.873 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -10.203 12.249 -0.151 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -10.276 10.600 -0.815 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -10.475 10.864 0.933 1.00 0.00 H new ATOM 996 N ALA A 88 -7.467 6.867 1.652 1.00 0.00 N ATOM 997 CA ALA A 88 -7.479 5.438 1.519 1.00 0.00 C ATOM 998 C ALA A 88 -7.850 4.754 2.824 1.00 0.00 C ATOM 999 O ALA A 88 -8.701 3.898 2.836 1.00 0.00 O ATOM 1000 CB ALA A 88 -6.154 4.935 0.958 1.00 0.00 C ATOM 0 H ALA A 88 -6.537 7.286 1.638 1.00 0.00 H new ATOM 0 HA ALA A 88 -8.257 5.173 0.803 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -6.187 3.849 0.866 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -5.983 5.377 -0.023 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -5.344 5.218 1.630 1.00 0.00 H new ATOM 1006 N VAL A 89 -7.247 5.176 3.921 1.00 0.00 N ATOM 1007 CA VAL A 89 -7.521 4.578 5.230 1.00 0.00 C ATOM 1008 C VAL A 89 -9.006 4.648 5.591 1.00 0.00 C ATOM 1009 O VAL A 89 -9.608 3.642 5.912 1.00 0.00 O ATOM 1010 CB VAL A 89 -6.660 5.221 6.361 1.00 0.00 C ATOM 1011 CG1 VAL A 89 -7.098 4.728 7.736 1.00 0.00 C ATOM 1012 CG2 VAL A 89 -5.196 4.889 6.151 1.00 0.00 C ATOM 0 H VAL A 89 -6.562 5.932 3.939 1.00 0.00 H new ATOM 0 HA VAL A 89 -7.240 3.528 5.148 1.00 0.00 H new ATOM 0 HB VAL A 89 -6.803 6.301 6.318 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -6.480 5.194 8.503 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -8.142 4.992 7.902 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -6.985 3.645 7.787 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -4.603 5.342 6.945 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -5.062 3.807 6.170 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.869 5.278 5.187 1.00 0.00 H new ATOM 1022 N ASP A 90 -9.589 5.809 5.433 1.00 0.00 N ATOM 1023 CA ASP A 90 -10.983 6.059 5.833 1.00 0.00 C ATOM 1024 C ASP A 90 -11.949 5.208 5.035 1.00 0.00 C ATOM 1025 O ASP A 90 -12.913 4.676 5.573 1.00 0.00 O ATOM 1026 CB ASP A 90 -11.344 7.549 5.673 1.00 0.00 C ATOM 1027 CG ASP A 90 -12.768 7.892 6.119 1.00 0.00 C ATOM 1028 OD1 ASP A 90 -12.984 8.131 7.330 1.00 0.00 O ATOM 1029 OD2 ASP A 90 -13.679 7.976 5.268 1.00 0.00 O ATOM 0 H ASP A 90 -9.124 6.620 5.024 1.00 0.00 H new ATOM 0 HA ASP A 90 -11.071 5.785 6.884 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -10.639 8.148 6.249 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -11.223 7.832 4.627 1.00 0.00 H new ATOM 1034 N ASN A 91 -11.645 5.022 3.781 1.00 0.00 N ATOM 1035 CA ASN A 91 -12.545 4.316 2.883 1.00 0.00 C ATOM 1036 C ASN A 91 -12.266 2.840 2.776 1.00 0.00 C ATOM 1037 O ASN A 91 -13.144 2.064 2.415 1.00 0.00 O ATOM 1038 CB ASN A 91 -12.559 4.954 1.501 1.00 0.00 C ATOM 1039 CG ASN A 91 -13.317 6.252 1.486 1.00 0.00 C ATOM 1040 OD1 ASN A 91 -14.303 6.413 2.201 1.00 0.00 O ATOM 1041 ND2 ASN A 91 -12.870 7.187 0.694 1.00 0.00 N ATOM 0 H ASN A 91 -10.781 5.347 3.347 1.00 0.00 H new ATOM 0 HA ASN A 91 -13.534 4.410 3.332 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -11.535 5.129 1.172 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -13.009 4.263 0.788 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -13.343 8.090 0.653 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -12.048 7.015 0.115 1.00 0.00 H new ATOM 1048 N LEU A 92 -11.085 2.441 3.110 1.00 0.00 N ATOM 1049 CA LEU A 92 -10.712 1.054 2.962 1.00 0.00 C ATOM 1050 C LEU A 92 -10.812 0.320 4.256 1.00 0.00 C ATOM 1051 O LEU A 92 -11.037 -0.885 4.276 1.00 0.00 O ATOM 1052 CB LEU A 92 -9.326 0.944 2.388 1.00 0.00 C ATOM 1053 CG LEU A 92 -9.189 1.201 0.910 1.00 0.00 C ATOM 1054 CD1 LEU A 92 -7.767 1.586 0.604 1.00 0.00 C ATOM 1055 CD2 LEU A 92 -9.544 -0.058 0.147 1.00 0.00 C ATOM 0 H LEU A 92 -10.355 3.045 3.487 1.00 0.00 H new ATOM 0 HA LEU A 92 -11.413 0.589 2.269 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -8.681 1.645 2.918 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -8.949 -0.057 2.597 1.00 0.00 H new ATOM 0 HG LEU A 92 -9.859 2.008 0.614 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -7.663 1.773 -0.465 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -7.507 2.488 1.157 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -7.100 0.776 0.897 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -9.446 0.125 -0.923 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -8.871 -0.863 0.441 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -10.571 -0.343 0.373 1.00 0.00 H new ATOM 1067 N ASN A 93 -10.626 1.021 5.344 1.00 0.00 N ATOM 1068 CA ASN A 93 -10.763 0.401 6.635 1.00 0.00 C ATOM 1069 C ASN A 93 -12.232 0.012 6.804 1.00 0.00 C ATOM 1070 O ASN A 93 -13.126 0.853 6.663 1.00 0.00 O ATOM 1071 CB ASN A 93 -10.336 1.402 7.710 1.00 0.00 C ATOM 1072 CG ASN A 93 -10.239 0.833 9.122 1.00 0.00 C ATOM 1073 OD1 ASN A 93 -10.931 -0.101 9.496 1.00 0.00 O ATOM 1074 ND2 ASN A 93 -9.344 1.373 9.904 1.00 0.00 N ATOM 0 H ASN A 93 -10.382 2.011 5.363 1.00 0.00 H new ATOM 0 HA ASN A 93 -10.137 -0.487 6.725 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -9.366 1.816 7.434 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -11.045 2.229 7.716 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -9.211 1.015 10.850 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -8.778 2.152 9.569 1.00 0.00 H new ATOM 1081 N GLY A 94 -12.478 -1.239 7.076 1.00 0.00 N ATOM 1082 CA GLY A 94 -13.830 -1.714 7.239 1.00 0.00 C ATOM 1083 C GLY A 94 -14.501 -2.037 5.911 1.00 0.00 C ATOM 1084 O GLY A 94 -15.658 -2.452 5.878 1.00 0.00 O ATOM 0 H GLY A 94 -11.759 -1.953 7.191 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -13.825 -2.606 7.866 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -14.416 -0.959 7.764 1.00 0.00 H new ATOM 1088 N PHE A 95 -13.789 -1.836 4.822 1.00 0.00 N ATOM 1089 CA PHE A 95 -14.324 -2.073 3.493 1.00 0.00 C ATOM 1090 C PHE A 95 -14.157 -3.531 3.123 1.00 0.00 C ATOM 1091 O PHE A 95 -13.080 -4.098 3.285 1.00 0.00 O ATOM 1092 CB PHE A 95 -13.623 -1.170 2.478 1.00 0.00 C ATOM 1093 CG PHE A 95 -14.084 -1.337 1.066 1.00 0.00 C ATOM 1094 CD1 PHE A 95 -15.358 -0.976 0.698 1.00 0.00 C ATOM 1095 CD2 PHE A 95 -13.236 -1.843 0.098 1.00 0.00 C ATOM 1096 CE1 PHE A 95 -15.777 -1.117 -0.603 1.00 0.00 C ATOM 1097 CE2 PHE A 95 -13.658 -1.982 -1.195 1.00 0.00 C ATOM 1098 CZ PHE A 95 -14.927 -1.618 -1.545 1.00 0.00 C ATOM 0 H PHE A 95 -12.824 -1.504 4.830 1.00 0.00 H new ATOM 0 HA PHE A 95 -15.388 -1.835 3.485 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -13.772 -0.131 2.773 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -12.551 -1.363 2.521 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -16.036 -0.578 1.438 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -12.230 -2.131 0.366 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -16.781 -0.831 -0.880 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -12.987 -2.380 -1.941 1.00 0.00 H new ATOM 0 HZ PHE A 95 -15.257 -1.727 -2.567 1.00 0.00 H new ATOM 1108 N LYS A 96 -15.210 -4.135 2.639 1.00 0.00 N ATOM 1109 CA LYS A 96 -15.177 -5.539 2.316 1.00 0.00 C ATOM 1110 C LYS A 96 -14.757 -5.788 0.880 1.00 0.00 C ATOM 1111 O LYS A 96 -15.395 -5.299 -0.073 1.00 0.00 O ATOM 1112 CB LYS A 96 -16.520 -6.252 2.603 1.00 0.00 C ATOM 1113 CG LYS A 96 -16.927 -6.392 4.079 1.00 0.00 C ATOM 1114 CD LYS A 96 -17.271 -5.062 4.734 1.00 0.00 C ATOM 1115 CE LYS A 96 -17.784 -5.250 6.154 1.00 0.00 C ATOM 1116 NZ LYS A 96 -19.046 -6.019 6.186 1.00 0.00 N ATOM 0 H LYS A 96 -16.103 -3.677 2.459 1.00 0.00 H new ATOM 0 HA LYS A 96 -14.423 -5.968 2.976 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -17.310 -5.711 2.082 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -16.475 -7.250 2.166 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -17.787 -7.058 4.151 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -16.113 -6.862 4.631 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -16.387 -4.424 4.748 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -18.026 -4.548 4.139 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -17.029 -5.766 6.748 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -17.941 -4.275 6.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -19.511 -5.885 7.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -19.675 -5.685 5.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -18.841 -7.029 6.046 1.00 0.00 H new ATOM 1130 N ILE A 97 -13.664 -6.500 0.736 1.00 0.00 N ATOM 1131 CA ILE A 97 -13.193 -6.974 -0.540 1.00 0.00 C ATOM 1132 C ILE A 97 -12.974 -8.468 -0.373 1.00 0.00 C ATOM 1133 O ILE A 97 -12.505 -8.897 0.676 1.00 0.00 O ATOM 1134 CB ILE A 97 -11.821 -6.316 -0.934 1.00 0.00 C ATOM 1135 CG1 ILE A 97 -11.925 -4.797 -0.971 1.00 0.00 C ATOM 1136 CG2 ILE A 97 -11.331 -6.820 -2.278 1.00 0.00 C ATOM 1137 CD1 ILE A 97 -10.653 -4.089 -1.417 1.00 0.00 C ATOM 0 H ILE A 97 -13.068 -6.770 1.518 1.00 0.00 H new ATOM 0 HA ILE A 97 -13.914 -6.728 -1.319 1.00 0.00 H new ATOM 0 HB ILE A 97 -11.102 -6.603 -0.167 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -12.736 -4.517 -1.643 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -12.196 -4.439 0.022 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -10.380 -6.345 -2.520 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -11.196 -7.901 -2.234 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -12.064 -6.577 -3.047 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -10.816 -3.011 -1.414 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -9.841 -4.335 -0.733 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -10.390 -4.413 -2.424 1.00 0.00 H new ATOM 1149 N GLY A 98 -13.301 -9.253 -1.382 1.00 0.00 N ATOM 1150 CA GLY A 98 -13.090 -10.701 -1.322 1.00 0.00 C ATOM 1151 C GLY A 98 -13.848 -11.391 -0.191 1.00 0.00 C ATOM 1152 O GLY A 98 -13.504 -12.510 0.202 1.00 0.00 O ATOM 0 H GLY A 98 -13.713 -8.921 -2.254 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -13.394 -11.142 -2.271 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -12.024 -10.898 -1.205 1.00 0.00 H new ATOM 1156 N GLY A 99 -14.853 -10.724 0.341 1.00 0.00 N ATOM 1157 CA GLY A 99 -15.618 -11.276 1.425 1.00 0.00 C ATOM 1158 C GLY A 99 -14.993 -11.006 2.780 1.00 0.00 C ATOM 1159 O GLY A 99 -15.401 -11.589 3.780 1.00 0.00 O ATOM 0 H GLY A 99 -15.154 -9.799 0.035 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -16.624 -10.858 1.404 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -15.717 -12.352 1.283 1.00 0.00 H new ATOM 1163 N ARG A 100 -14.004 -10.141 2.822 1.00 0.00 N ATOM 1164 CA ARG A 100 -13.350 -9.808 4.064 1.00 0.00 C ATOM 1165 C ARG A 100 -13.143 -8.305 4.183 1.00 0.00 C ATOM 1166 O ARG A 100 -12.937 -7.620 3.189 1.00 0.00 O ATOM 1167 CB ARG A 100 -12.040 -10.601 4.226 1.00 0.00 C ATOM 1168 CG ARG A 100 -11.061 -10.488 3.061 1.00 0.00 C ATOM 1169 CD ARG A 100 -9.856 -11.372 3.278 1.00 0.00 C ATOM 1170 NE ARG A 100 -10.218 -12.797 3.354 1.00 0.00 N ATOM 1171 CZ ARG A 100 -9.367 -13.804 3.591 1.00 0.00 C ATOM 1172 NH1 ARG A 100 -8.093 -13.561 3.828 1.00 0.00 N ATOM 1173 NH2 ARG A 100 -9.810 -15.052 3.606 1.00 0.00 N ATOM 0 H ARG A 100 -13.635 -9.654 2.005 1.00 0.00 H new ATOM 0 HA ARG A 100 -13.999 -10.102 4.889 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -11.540 -10.263 5.134 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -12.287 -11.653 4.371 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -11.560 -10.769 2.134 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -10.741 -9.452 2.950 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -9.146 -11.222 2.464 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -9.352 -11.077 4.199 1.00 0.00 H new ATOM 0 HE ARG A 100 -11.199 -13.038 3.214 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -7.749 -12.601 3.832 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -7.451 -14.333 4.008 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -10.797 -15.245 3.437 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -9.164 -15.820 3.786 1.00 0.00 H new ATOM 1187 N ALA A 101 -13.241 -7.801 5.384 1.00 0.00 N ATOM 1188 CA ALA A 101 -13.128 -6.380 5.633 1.00 0.00 C ATOM 1189 C ALA A 101 -11.684 -5.977 5.839 1.00 0.00 C ATOM 1190 O ALA A 101 -11.020 -6.478 6.750 1.00 0.00 O ATOM 1191 CB ALA A 101 -13.960 -5.989 6.842 1.00 0.00 C ATOM 0 H ALA A 101 -13.402 -8.361 6.221 1.00 0.00 H new ATOM 0 HA ALA A 101 -13.506 -5.852 4.758 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -13.865 -4.917 7.018 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -15.006 -6.236 6.659 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -13.607 -6.533 7.718 1.00 0.00 H new ATOM 1197 N LEU A 102 -11.214 -5.088 4.999 1.00 0.00 N ATOM 1198 CA LEU A 102 -9.864 -4.561 5.054 1.00 0.00 C ATOM 1199 C LEU A 102 -9.617 -3.716 6.273 1.00 0.00 C ATOM 1200 O LEU A 102 -10.524 -3.077 6.808 1.00 0.00 O ATOM 1201 CB LEU A 102 -9.527 -3.748 3.807 1.00 0.00 C ATOM 1202 CG LEU A 102 -8.927 -4.502 2.636 1.00 0.00 C ATOM 1203 CD1 LEU A 102 -8.681 -3.547 1.487 1.00 0.00 C ATOM 1204 CD2 LEU A 102 -7.619 -5.121 3.071 1.00 0.00 C ATOM 0 H LEU A 102 -11.770 -4.698 4.238 1.00 0.00 H new ATOM 0 HA LEU A 102 -9.213 -5.433 5.107 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -10.439 -3.260 3.464 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -8.832 -2.959 4.094 1.00 0.00 H new ATOM 0 HG LEU A 102 -9.614 -5.282 2.309 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -8.250 -4.092 0.647 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -9.625 -3.096 1.181 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -7.991 -2.765 1.805 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -7.179 -5.666 2.236 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -6.935 -4.336 3.393 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -7.799 -5.808 3.898 1.00 0.00 H new ATOM 1216 N LYS A 103 -8.405 -3.734 6.729 1.00 0.00 N ATOM 1217 CA LYS A 103 -8.019 -2.918 7.828 1.00 0.00 C ATOM 1218 C LYS A 103 -6.840 -2.067 7.424 1.00 0.00 C ATOM 1219 O LYS A 103 -5.818 -2.587 7.054 1.00 0.00 O ATOM 1220 CB LYS A 103 -7.692 -3.768 9.063 1.00 0.00 C ATOM 1221 CG LYS A 103 -7.240 -2.974 10.295 1.00 0.00 C ATOM 1222 CD LYS A 103 -8.307 -1.996 10.793 1.00 0.00 C ATOM 1223 CE LYS A 103 -9.582 -2.701 11.253 1.00 0.00 C ATOM 1224 NZ LYS A 103 -10.606 -1.739 11.707 1.00 0.00 N ATOM 0 H LYS A 103 -7.658 -4.315 6.348 1.00 0.00 H new ATOM 0 HA LYS A 103 -8.851 -2.269 8.099 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -8.574 -4.351 9.328 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -6.908 -4.478 8.800 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -6.987 -3.668 11.096 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -6.332 -2.422 10.053 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -7.902 -1.411 11.619 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -8.552 -1.294 9.996 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -9.982 -3.299 10.434 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -9.345 -3.389 12.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -11.462 -2.254 11.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -10.239 -1.197 12.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -10.839 -1.087 10.931 1.00 0.00 H new ATOM 1238 N ILE A 104 -6.997 -0.774 7.454 1.00 0.00 N ATOM 1239 CA ILE A 104 -5.906 0.105 7.093 1.00 0.00 C ATOM 1240 C ILE A 104 -5.606 0.967 8.290 1.00 0.00 C ATOM 1241 O ILE A 104 -6.531 1.456 8.943 1.00 0.00 O ATOM 1242 CB ILE A 104 -6.251 1.056 5.924 1.00 0.00 C ATOM 1243 CG1 ILE A 104 -7.155 0.397 4.882 1.00 0.00 C ATOM 1244 CG2 ILE A 104 -4.960 1.517 5.249 1.00 0.00 C ATOM 1245 CD1 ILE A 104 -6.570 -0.793 4.171 1.00 0.00 C ATOM 0 H ILE A 104 -7.861 -0.302 7.722 1.00 0.00 H new ATOM 0 HA ILE A 104 -5.069 -0.520 6.782 1.00 0.00 H new ATOM 0 HB ILE A 104 -6.794 1.904 6.342 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -8.078 0.087 5.372 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -7.426 1.145 4.137 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -5.200 2.188 4.424 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -4.338 2.042 5.974 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -4.420 0.651 4.867 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -7.295 -1.182 3.455 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -5.664 -0.493 3.644 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -6.327 -1.568 4.898 1.00 0.00 H new ATOM 1257 N ASP A 105 -4.358 1.140 8.585 1.00 0.00 N ATOM 1258 CA ASP A 105 -3.939 1.946 9.712 1.00 0.00 C ATOM 1259 C ASP A 105 -2.690 2.715 9.327 1.00 0.00 C ATOM 1260 O ASP A 105 -1.875 2.227 8.532 1.00 0.00 O ATOM 1261 CB ASP A 105 -3.643 1.033 10.895 1.00 0.00 C ATOM 1262 CG ASP A 105 -3.345 1.752 12.185 1.00 0.00 C ATOM 1263 OD1 ASP A 105 -4.250 2.432 12.731 1.00 0.00 O ATOM 1264 OD2 ASP A 105 -2.211 1.598 12.720 1.00 0.00 O ATOM 0 H ASP A 105 -3.589 0.729 8.056 1.00 0.00 H new ATOM 0 HA ASP A 105 -4.726 2.647 9.989 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -4.497 0.374 11.051 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -2.793 0.399 10.643 1.00 0.00 H new ATOM 1269 N HIS A 106 -2.551 3.899 9.850 1.00 0.00 N ATOM 1270 CA HIS A 106 -1.389 4.737 9.575 1.00 0.00 C ATOM 1271 C HIS A 106 -0.242 4.260 10.427 1.00 0.00 C ATOM 1272 O HIS A 106 -0.411 4.033 11.628 1.00 0.00 O ATOM 1273 CB HIS A 106 -1.669 6.222 9.865 1.00 0.00 C ATOM 1274 CG HIS A 106 -2.697 6.863 8.976 1.00 0.00 C ATOM 1275 ND1 HIS A 106 -2.388 7.590 7.852 1.00 0.00 N ATOM 1276 CD2 HIS A 106 -4.044 6.917 9.091 1.00 0.00 C ATOM 1277 CE1 HIS A 106 -3.513 8.059 7.334 1.00 0.00 C ATOM 1278 NE2 HIS A 106 -4.559 7.679 8.044 1.00 0.00 N ATOM 0 H HIS A 106 -3.232 4.323 10.480 1.00 0.00 H new ATOM 0 HA HIS A 106 -1.145 4.654 8.516 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -1.996 6.318 10.900 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -0.735 6.776 9.773 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -4.626 6.446 9.869 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -3.568 8.672 6.447 1.00 0.00 H new ATOM 0 HE2 HIS A 106 -5.539 7.897 7.864 1.00 0.00 H new ATOM 1286 N THR A 107 0.910 4.097 9.841 1.00 0.00 N ATOM 1287 CA THR A 107 2.019 3.551 10.558 1.00 0.00 C ATOM 1288 C THR A 107 3.293 3.889 9.779 1.00 0.00 C ATOM 1289 O THR A 107 3.205 4.274 8.612 1.00 0.00 O ATOM 1290 CB THR A 107 1.828 1.991 10.657 1.00 0.00 C ATOM 1291 OG1 THR A 107 2.639 1.427 11.694 1.00 0.00 O ATOM 1292 CG2 THR A 107 2.158 1.309 9.330 1.00 0.00 C ATOM 0 H THR A 107 1.102 4.336 8.868 1.00 0.00 H new ATOM 0 HA THR A 107 2.088 3.963 11.565 1.00 0.00 H new ATOM 0 HB THR A 107 0.779 1.816 10.898 1.00 0.00 H new ATOM 0 HG1 THR A 107 2.496 0.458 11.731 1.00 0.00 H new ATOM 0 HG21 THR A 107 2.017 0.233 9.429 1.00 0.00 H new ATOM 0 HG22 THR A 107 1.499 1.691 8.551 1.00 0.00 H new ATOM 0 HG23 THR A 107 3.194 1.516 9.062 1.00 0.00 H new ATOM 1300 N PHE A 108 4.448 3.779 10.394 1.00 0.00 N ATOM 1301 CA PHE A 108 5.675 3.979 9.662 1.00 0.00 C ATOM 1302 C PHE A 108 6.245 2.629 9.295 1.00 0.00 C ATOM 1303 O PHE A 108 6.649 1.845 10.165 1.00 0.00 O ATOM 1304 CB PHE A 108 6.707 4.773 10.469 1.00 0.00 C ATOM 1305 CG PHE A 108 6.300 6.178 10.808 1.00 0.00 C ATOM 1306 CD1 PHE A 108 6.286 7.159 9.834 1.00 0.00 C ATOM 1307 CD2 PHE A 108 5.957 6.521 12.104 1.00 0.00 C ATOM 1308 CE1 PHE A 108 5.935 8.456 10.143 1.00 0.00 C ATOM 1309 CE2 PHE A 108 5.602 7.818 12.417 1.00 0.00 C ATOM 1310 CZ PHE A 108 5.593 8.785 11.438 1.00 0.00 C ATOM 0 H PHE A 108 4.563 3.556 11.383 1.00 0.00 H new ATOM 0 HA PHE A 108 5.448 4.560 8.768 1.00 0.00 H new ATOM 0 HB2 PHE A 108 6.913 4.237 11.395 1.00 0.00 H new ATOM 0 HB3 PHE A 108 7.640 4.806 9.906 1.00 0.00 H new ATOM 0 HD1 PHE A 108 6.553 6.906 8.819 1.00 0.00 H new ATOM 0 HD2 PHE A 108 5.967 5.767 12.878 1.00 0.00 H new ATOM 0 HE1 PHE A 108 5.928 9.213 9.373 1.00 0.00 H new ATOM 0 HE2 PHE A 108 5.331 8.074 13.431 1.00 0.00 H new ATOM 0 HZ PHE A 108 5.318 9.800 11.683 1.00 0.00 H new ATOM 1320 N TYR A 109 6.257 2.343 8.030 1.00 0.00 N ATOM 1321 CA TYR A 109 6.776 1.095 7.549 1.00 0.00 C ATOM 1322 C TYR A 109 8.124 1.321 6.897 1.00 0.00 C ATOM 1323 O TYR A 109 8.302 2.268 6.125 1.00 0.00 O ATOM 1324 CB TYR A 109 5.785 0.439 6.572 1.00 0.00 C ATOM 1325 CG TYR A 109 6.208 -0.929 6.037 1.00 0.00 C ATOM 1326 CD1 TYR A 109 7.113 -1.035 4.992 1.00 0.00 C ATOM 1327 CD2 TYR A 109 5.693 -2.101 6.573 1.00 0.00 C ATOM 1328 CE1 TYR A 109 7.502 -2.251 4.501 1.00 0.00 C ATOM 1329 CE2 TYR A 109 6.078 -3.337 6.080 1.00 0.00 C ATOM 1330 CZ TYR A 109 6.985 -3.405 5.042 1.00 0.00 C ATOM 1331 OH TYR A 109 7.377 -4.632 4.546 1.00 0.00 O ATOM 0 H TYR A 109 5.909 2.965 7.301 1.00 0.00 H new ATOM 0 HA TYR A 109 6.909 0.413 8.389 1.00 0.00 H new ATOM 0 HB2 TYR A 109 4.822 0.334 7.072 1.00 0.00 H new ATOM 0 HB3 TYR A 109 5.634 1.111 5.727 1.00 0.00 H new ATOM 0 HD1 TYR A 109 7.521 -0.135 4.555 1.00 0.00 H new ATOM 0 HD2 TYR A 109 4.983 -2.049 7.385 1.00 0.00 H new ATOM 0 HE1 TYR A 109 8.214 -2.305 3.690 1.00 0.00 H new ATOM 0 HE2 TYR A 109 5.671 -4.242 6.505 1.00 0.00 H new ATOM 0 HH TYR A 109 6.920 -5.345 5.039 1.00 0.00 H new ATOM 1497 N ILE B 226 -6.948 15.243 -4.678 1.00 0.00 N ATOM 1498 CA ILE B 226 -5.979 14.336 -5.222 1.00 0.00 C ATOM 1499 C ILE B 226 -6.545 13.649 -6.444 1.00 0.00 C ATOM 1500 O ILE B 226 -7.669 13.142 -6.420 1.00 0.00 O ATOM 1501 CB ILE B 226 -5.451 13.268 -4.195 1.00 0.00 C ATOM 1502 CG1 ILE B 226 -4.706 13.912 -3.025 1.00 0.00 C ATOM 1503 CG2 ILE B 226 -4.548 12.262 -4.865 1.00 0.00 C ATOM 1504 CD1 ILE B 226 -5.587 14.480 -1.961 1.00 0.00 C ATOM 0 HA ILE B 226 -5.115 14.942 -5.493 1.00 0.00 H new ATOM 0 HB ILE B 226 -6.332 12.759 -3.805 1.00 0.00 H new ATOM 0 HG12 ILE B 226 -4.050 13.167 -2.575 1.00 0.00 H new ATOM 0 HG13 ILE B 226 -4.068 14.706 -3.412 1.00 0.00 H new ATOM 0 HG21 ILE B 226 -4.200 11.538 -4.128 1.00 0.00 H new ATOM 0 HG22 ILE B 226 -5.099 11.744 -5.650 1.00 0.00 H new ATOM 0 HG23 ILE B 226 -3.691 12.776 -5.301 1.00 0.00 H new ATOM 0 HD11 ILE B 226 -4.972 14.915 -1.173 1.00 0.00 H new ATOM 0 HD12 ILE B 226 -6.225 15.252 -2.391 1.00 0.00 H new ATOM 0 HD13 ILE B 226 -6.208 13.688 -1.541 1.00 0.00 H new ATOM 1516 N MET B 227 -5.800 13.667 -7.518 1.00 0.00 N ATOM 1517 CA MET B 227 -6.224 12.984 -8.716 1.00 0.00 C ATOM 1518 C MET B 227 -5.713 11.549 -8.661 1.00 0.00 C ATOM 1519 O MET B 227 -4.665 11.289 -8.048 1.00 0.00 O ATOM 1520 CB MET B 227 -5.749 13.694 -10.008 1.00 0.00 C ATOM 1521 CG MET B 227 -4.254 13.716 -10.206 1.00 0.00 C ATOM 1522 SD MET B 227 -3.755 14.479 -11.767 1.00 0.00 S ATOM 1523 CE MET B 227 -4.414 13.298 -12.952 1.00 0.00 C ATOM 0 H MET B 227 -4.901 14.144 -7.590 1.00 0.00 H new ATOM 0 HA MET B 227 -7.313 12.995 -8.754 1.00 0.00 H new ATOM 0 HB2 MET B 227 -6.207 13.202 -10.866 1.00 0.00 H new ATOM 0 HB3 MET B 227 -6.115 14.721 -9.997 1.00 0.00 H new ATOM 0 HG2 MET B 227 -3.792 14.257 -9.380 1.00 0.00 H new ATOM 0 HG3 MET B 227 -3.874 12.695 -10.170 1.00 0.00 H new ATOM 0 HE1 MET B 227 -3.930 13.443 -13.918 1.00 0.00 H new ATOM 0 HE2 MET B 227 -4.225 12.284 -12.599 1.00 0.00 H new ATOM 0 HE3 MET B 227 -5.488 13.450 -13.059 1.00 0.00 H new ATOM 1533 N PRO B 228 -6.443 10.615 -9.263 1.00 0.00 N ATOM 1534 CA PRO B 228 -6.102 9.187 -9.248 1.00 0.00 C ATOM 1535 C PRO B 228 -4.775 8.865 -9.952 1.00 0.00 C ATOM 1536 O PRO B 228 -4.361 9.563 -10.895 1.00 0.00 O ATOM 1537 CB PRO B 228 -7.269 8.538 -9.997 1.00 0.00 C ATOM 1538 CG PRO B 228 -7.832 9.630 -10.835 1.00 0.00 C ATOM 1539 CD PRO B 228 -7.673 10.870 -10.023 1.00 0.00 C ATOM 0 HA PRO B 228 -5.963 8.826 -8.229 1.00 0.00 H new ATOM 0 HB2 PRO B 228 -6.931 7.702 -10.610 1.00 0.00 H new ATOM 0 HB3 PRO B 228 -8.014 8.145 -9.305 1.00 0.00 H new ATOM 0 HG2 PRO B 228 -7.302 9.711 -11.784 1.00 0.00 H new ATOM 0 HG3 PRO B 228 -8.880 9.445 -11.070 1.00 0.00 H new ATOM 0 HD2 PRO B 228 -7.582 11.755 -10.653 1.00 0.00 H new ATOM 0 HD3 PRO B 228 -8.527 11.033 -9.365 1.00 0.00 H new ATOM 1547 N GLY B 229 -4.133 7.809 -9.494 1.00 0.00 N ATOM 1548 CA GLY B 229 -2.877 7.372 -10.056 1.00 0.00 C ATOM 1549 C GLY B 229 -3.054 6.624 -11.366 1.00 0.00 C ATOM 1550 O GLY B 229 -4.187 6.319 -11.785 1.00 0.00 O ATOM 0 H GLY B 229 -4.469 7.232 -8.723 1.00 0.00 H new ATOM 0 HA2 GLY B 229 -2.235 8.238 -10.220 1.00 0.00 H new ATOM 0 HA3 GLY B 229 -2.367 6.728 -9.340 1.00 0.00 H new ATOM 1554 N SER B 230 -1.948 6.286 -11.989 1.00 0.00 N ATOM 1555 CA SER B 230 -1.953 5.639 -13.284 1.00 0.00 C ATOM 1556 C SER B 230 -2.322 4.148 -13.190 1.00 0.00 C ATOM 1557 O SER B 230 -2.695 3.539 -14.188 1.00 0.00 O ATOM 1558 CB SER B 230 -0.588 5.815 -13.945 1.00 0.00 C ATOM 1559 OG SER B 230 -0.222 7.196 -13.969 1.00 0.00 O ATOM 0 H SER B 230 -1.015 6.452 -11.611 1.00 0.00 H new ATOM 0 HA SER B 230 -2.721 6.114 -13.894 1.00 0.00 H new ATOM 0 HB2 SER B 230 0.163 5.242 -13.401 1.00 0.00 H new ATOM 0 HB3 SER B 230 -0.615 5.421 -14.961 1.00 0.00 H new ATOM 0 HG SER B 230 0.656 7.294 -14.394 1.00 0.00 H new ATOM 1565 N ARG B 231 -2.241 3.571 -11.995 1.00 0.00 N ATOM 1566 CA ARG B 231 -2.583 2.150 -11.811 1.00 0.00 C ATOM 1567 C ARG B 231 -4.088 1.950 -11.726 1.00 0.00 C ATOM 1568 O ARG B 231 -4.571 0.823 -11.697 1.00 0.00 O ATOM 1569 CB ARG B 231 -1.926 1.575 -10.559 1.00 0.00 C ATOM 1570 CG ARG B 231 -0.418 1.596 -10.574 1.00 0.00 C ATOM 1571 CD ARG B 231 0.161 0.700 -11.664 1.00 0.00 C ATOM 1572 NE ARG B 231 -0.323 -0.691 -11.564 1.00 0.00 N ATOM 1573 CZ ARG B 231 0.438 -1.797 -11.651 1.00 0.00 C ATOM 1574 NH1 ARG B 231 1.758 -1.704 -11.789 1.00 0.00 N ATOM 1575 NH2 ARG B 231 -0.134 -2.994 -11.589 1.00 0.00 N ATOM 0 H ARG B 231 -1.946 4.051 -11.145 1.00 0.00 H new ATOM 0 HA ARG B 231 -2.203 1.620 -12.684 1.00 0.00 H new ATOM 0 HB2 ARG B 231 -2.275 2.135 -9.692 1.00 0.00 H new ATOM 0 HB3 ARG B 231 -2.260 0.546 -10.429 1.00 0.00 H new ATOM 0 HG2 ARG B 231 -0.072 2.619 -10.725 1.00 0.00 H new ATOM 0 HG3 ARG B 231 -0.042 1.273 -9.603 1.00 0.00 H new ATOM 0 HD2 ARG B 231 -0.103 1.104 -12.641 1.00 0.00 H new ATOM 0 HD3 ARG B 231 1.249 0.709 -11.598 1.00 0.00 H new ATOM 0 HE ARG B 231 -1.323 -0.826 -11.416 1.00 0.00 H new ATOM 0 HH11 ARG B 231 2.203 -0.787 -11.830 1.00 0.00 H new ATOM 0 HH12 ARG B 231 2.325 -2.550 -11.854 1.00 0.00 H new ATOM 0 HH21 ARG B 231 -1.145 -3.071 -11.476 1.00 0.00 H new ATOM 0 HH22 ARG B 231 0.437 -3.836 -11.654 1.00 0.00 H new ATOM 1589 N TRP B 232 -4.806 3.036 -11.657 1.00 0.00 N ATOM 1590 CA TRP B 232 -6.238 3.000 -11.592 1.00 0.00 C ATOM 1591 C TRP B 232 -6.837 2.598 -12.912 1.00 0.00 C ATOM 1592 O TRP B 232 -6.513 3.137 -13.968 1.00 0.00 O ATOM 1593 CB TRP B 232 -6.817 4.342 -11.123 1.00 0.00 C ATOM 1594 CG TRP B 232 -8.318 4.355 -10.944 1.00 0.00 C ATOM 1595 CD1 TRP B 232 -9.076 3.436 -10.273 1.00 0.00 C ATOM 1596 CD2 TRP B 232 -9.231 5.348 -11.416 1.00 0.00 C ATOM 1597 NE1 TRP B 232 -10.391 3.807 -10.289 1.00 0.00 N ATOM 1598 CE2 TRP B 232 -10.515 4.973 -10.980 1.00 0.00 C ATOM 1599 CE3 TRP B 232 -9.090 6.519 -12.159 1.00 0.00 C ATOM 1600 CZ2 TRP B 232 -11.643 5.724 -11.260 1.00 0.00 C ATOM 1601 CZ3 TRP B 232 -10.215 7.266 -12.439 1.00 0.00 C ATOM 1602 CH2 TRP B 232 -11.474 6.868 -11.988 1.00 0.00 C ATOM 0 H TRP B 232 -4.411 3.976 -11.644 1.00 0.00 H new ATOM 0 HA TRP B 232 -6.505 2.244 -10.854 1.00 0.00 H new ATOM 0 HB2 TRP B 232 -6.350 4.613 -10.176 1.00 0.00 H new ATOM 0 HB3 TRP B 232 -6.544 5.112 -11.845 1.00 0.00 H new ATOM 0 HD1 TRP B 232 -8.691 2.545 -9.799 1.00 0.00 H new ATOM 0 HE1 TRP B 232 -11.157 3.293 -9.853 1.00 0.00 H new ATOM 0 HE3 TRP B 232 -8.118 6.835 -12.509 1.00 0.00 H new ATOM 0 HZ2 TRP B 232 -12.620 5.418 -10.916 1.00 0.00 H new ATOM 0 HZ3 TRP B 232 -10.120 8.174 -13.017 1.00 0.00 H new ATOM 0 HH2 TRP B 232 -12.335 7.478 -12.220 1.00 0.00 H new ATOM 1613 N ASP B 233 -7.667 1.649 -12.814 1.00 0.00 N ATOM 1614 CA ASP B 233 -8.475 1.157 -13.860 1.00 0.00 C ATOM 1615 C ASP B 233 -9.827 1.307 -13.286 1.00 0.00 C ATOM 1616 O ASP B 233 -9.925 1.157 -12.096 1.00 0.00 O ATOM 1617 CB ASP B 233 -8.176 -0.324 -14.115 1.00 0.00 C ATOM 1618 CG ASP B 233 -9.004 -0.916 -15.232 1.00 0.00 C ATOM 1619 OD1 ASP B 233 -8.570 -0.878 -16.397 1.00 0.00 O ATOM 1620 OD2 ASP B 233 -10.086 -1.468 -14.968 1.00 0.00 O ATOM 0 H ASP B 233 -7.817 1.152 -11.936 1.00 0.00 H new ATOM 0 HA ASP B 233 -8.329 1.667 -14.812 1.00 0.00 H new ATOM 0 HB2 ASP B 233 -7.119 -0.438 -14.355 1.00 0.00 H new ATOM 0 HB3 ASP B 233 -8.357 -0.887 -13.200 1.00 0.00 H new ATOM 1625 N GLY B 234 -10.789 1.723 -14.103 1.00 0.00 N ATOM 1626 CA GLY B 234 -12.237 1.973 -13.795 1.00 0.00 C ATOM 1627 C GLY B 234 -12.901 1.022 -12.811 1.00 0.00 C ATOM 1628 O GLY B 234 -13.820 0.260 -13.141 1.00 0.00 O ATOM 0 H GLY B 234 -10.584 1.917 -15.083 1.00 0.00 H new ATOM 0 HA2 GLY B 234 -12.332 2.986 -13.405 1.00 0.00 H new ATOM 0 HA3 GLY B 234 -12.795 1.938 -14.731 1.00 0.00 H new ATOM 1714 N GLY B 240 -18.657 3.730 1.154 1.00 0.00 N ATOM 1715 CA GLY B 240 -20.012 4.139 1.197 1.00 0.00 C ATOM 1716 C GLY B 240 -20.129 5.498 1.807 1.00 0.00 C ATOM 1717 O GLY B 240 -21.046 5.768 2.525 1.00 0.00 O ATOM 0 HA2 GLY B 240 -20.427 4.149 0.189 1.00 0.00 H new ATOM 0 HA3 GLY B 240 -20.596 3.423 1.775 1.00 0.00 H new ATOM 1721 N PHE B 241 -19.180 6.356 1.532 1.00 0.00 N ATOM 1722 CA PHE B 241 -19.196 7.695 2.120 1.00 0.00 C ATOM 1723 C PHE B 241 -20.221 8.619 1.452 1.00 0.00 C ATOM 1724 O PHE B 241 -20.876 9.423 2.122 1.00 0.00 O ATOM 1725 CB PHE B 241 -17.787 8.337 2.151 1.00 0.00 C ATOM 1726 CG PHE B 241 -17.142 8.577 0.805 1.00 0.00 C ATOM 1727 CD1 PHE B 241 -16.440 7.575 0.167 1.00 0.00 C ATOM 1728 CD2 PHE B 241 -17.230 9.816 0.194 1.00 0.00 C ATOM 1729 CE1 PHE B 241 -15.840 7.799 -1.054 1.00 0.00 C ATOM 1730 CE2 PHE B 241 -16.635 10.045 -1.027 1.00 0.00 C ATOM 1731 CZ PHE B 241 -15.938 9.036 -1.652 1.00 0.00 C ATOM 0 H PHE B 241 -18.391 6.167 0.914 1.00 0.00 H new ATOM 0 HA PHE B 241 -19.515 7.566 3.154 1.00 0.00 H new ATOM 0 HB2 PHE B 241 -17.855 9.290 2.675 1.00 0.00 H new ATOM 0 HB3 PHE B 241 -17.130 7.696 2.738 1.00 0.00 H new ATOM 0 HD1 PHE B 241 -16.359 6.603 0.630 1.00 0.00 H new ATOM 0 HD2 PHE B 241 -17.772 10.613 0.681 1.00 0.00 H new ATOM 0 HE1 PHE B 241 -15.294 7.005 -1.541 1.00 0.00 H new ATOM 0 HE2 PHE B 241 -16.715 11.016 -1.494 1.00 0.00 H new ATOM 0 HZ PHE B 241 -15.469 9.214 -2.609 1.00 0.00 H new ATOM 1741 N GLU B 242 -20.392 8.474 0.146 1.00 0.00 N ATOM 1742 CA GLU B 242 -21.275 9.353 -0.610 1.00 0.00 C ATOM 1743 C GLU B 242 -22.705 9.160 -0.202 1.00 0.00 C ATOM 1744 O GLU B 242 -23.454 10.127 -0.110 1.00 0.00 O ATOM 1745 CB GLU B 242 -21.158 9.156 -2.114 1.00 0.00 C ATOM 1746 CG GLU B 242 -19.751 9.080 -2.611 1.00 0.00 C ATOM 1747 CD GLU B 242 -19.297 7.663 -2.766 1.00 0.00 C ATOM 1748 OE1 GLU B 242 -19.284 6.918 -1.772 1.00 0.00 O ATOM 1749 OE2 GLU B 242 -19.010 7.254 -3.900 1.00 0.00 O ATOM 0 H GLU B 242 -19.931 7.756 -0.413 1.00 0.00 H new ATOM 0 HA GLU B 242 -20.956 10.369 -0.377 1.00 0.00 H new ATOM 0 HB2 GLU B 242 -21.680 8.240 -2.392 1.00 0.00 H new ATOM 0 HB3 GLU B 242 -21.666 9.978 -2.618 1.00 0.00 H new ATOM 0 HG2 GLU B 242 -19.675 9.594 -3.569 1.00 0.00 H new ATOM 0 HG3 GLU B 242 -19.091 9.600 -1.917 1.00 0.00 H new ATOM 1756 N GLU B 243 -23.082 7.912 0.050 1.00 0.00 N ATOM 1757 CA GLU B 243 -24.447 7.593 0.458 1.00 0.00 C ATOM 1758 C GLU B 243 -24.791 8.297 1.756 1.00 0.00 C ATOM 1759 O GLU B 243 -25.897 8.732 1.939 1.00 0.00 O ATOM 1760 CB GLU B 243 -24.693 6.084 0.611 1.00 0.00 C ATOM 1761 CG GLU B 243 -23.819 5.419 1.649 1.00 0.00 C ATOM 1762 CD GLU B 243 -24.228 4.015 1.973 1.00 0.00 C ATOM 1763 OE1 GLU B 243 -24.134 3.136 1.092 1.00 0.00 O ATOM 1764 OE2 GLU B 243 -24.647 3.760 3.134 1.00 0.00 O ATOM 0 H GLU B 243 -22.463 7.104 -0.021 1.00 0.00 H new ATOM 0 HA GLU B 243 -25.096 7.947 -0.343 1.00 0.00 H new ATOM 0 HB2 GLU B 243 -25.738 5.922 0.874 1.00 0.00 H new ATOM 0 HB3 GLU B 243 -24.528 5.600 -0.352 1.00 0.00 H new ATOM 0 HG2 GLU B 243 -22.788 5.415 1.294 1.00 0.00 H new ATOM 0 HG3 GLU B 243 -23.839 6.013 2.562 1.00 0.00 H new ATOM 1771 N LYS B 244 -23.809 8.427 2.632 1.00 0.00 N ATOM 1772 CA LYS B 244 -24.000 9.042 3.932 1.00 0.00 C ATOM 1773 C LYS B 244 -24.299 10.509 3.746 1.00 0.00 C ATOM 1774 O LYS B 244 -25.182 11.074 4.388 1.00 0.00 O ATOM 1775 CB LYS B 244 -22.732 8.885 4.749 1.00 0.00 C ATOM 1776 CG LYS B 244 -22.163 7.483 4.715 1.00 0.00 C ATOM 1777 CD LYS B 244 -23.077 6.464 5.332 1.00 0.00 C ATOM 1778 CE LYS B 244 -22.445 5.089 5.303 1.00 0.00 C ATOM 1779 NZ LYS B 244 -23.395 4.024 5.679 1.00 0.00 N ATOM 0 H LYS B 244 -22.856 8.108 2.460 1.00 0.00 H new ATOM 0 HA LYS B 244 -24.830 8.562 4.450 1.00 0.00 H new ATOM 0 HB2 LYS B 244 -21.981 9.583 4.378 1.00 0.00 H new ATOM 0 HB3 LYS B 244 -22.939 9.160 5.783 1.00 0.00 H new ATOM 0 HG2 LYS B 244 -21.962 7.204 3.681 1.00 0.00 H new ATOM 0 HG3 LYS B 244 -21.208 7.472 5.240 1.00 0.00 H new ATOM 0 HD2 LYS B 244 -23.301 6.745 6.361 1.00 0.00 H new ATOM 0 HD3 LYS B 244 -24.025 6.445 4.794 1.00 0.00 H new ATOM 0 HE2 LYS B 244 -22.059 4.891 4.303 1.00 0.00 H new ATOM 0 HE3 LYS B 244 -21.594 5.069 5.983 1.00 0.00 H new ATOM 0 HZ1 LYS B 244 -22.869 3.195 6.021 1.00 0.00 H new ATOM 0 HZ2 LYS B 244 -24.024 4.370 6.432 1.00 0.00 H new ATOM 0 HZ3 LYS B 244 -23.962 3.756 4.850 1.00 0.00 H new ATOM 1793 N TRP B 245 -23.570 11.109 2.836 1.00 0.00 N ATOM 1794 CA TRP B 245 -23.733 12.504 2.513 1.00 0.00 C ATOM 1795 C TRP B 245 -25.062 12.712 1.818 1.00 0.00 C ATOM 1796 O TRP B 245 -25.794 13.642 2.120 1.00 0.00 O ATOM 1797 CB TRP B 245 -22.594 12.983 1.622 1.00 0.00 C ATOM 1798 CG TRP B 245 -21.226 12.828 2.227 1.00 0.00 C ATOM 1799 CD1 TRP B 245 -20.913 12.473 3.511 1.00 0.00 C ATOM 1800 CD2 TRP B 245 -19.989 13.036 1.560 1.00 0.00 C ATOM 1801 NE1 TRP B 245 -19.557 12.459 3.677 1.00 0.00 N ATOM 1802 CE2 TRP B 245 -18.962 12.798 2.489 1.00 0.00 C ATOM 1803 CE3 TRP B 245 -19.653 13.400 0.265 1.00 0.00 C ATOM 1804 CZ2 TRP B 245 -17.621 12.919 2.155 1.00 0.00 C ATOM 1805 CZ3 TRP B 245 -18.328 13.517 -0.063 1.00 0.00 C ATOM 1806 CH2 TRP B 245 -17.327 13.280 0.874 1.00 0.00 C ATOM 0 H TRP B 245 -22.843 10.639 2.296 1.00 0.00 H new ATOM 0 HA TRP B 245 -23.714 13.085 3.435 1.00 0.00 H new ATOM 0 HB2 TRP B 245 -22.627 12.432 0.682 1.00 0.00 H new ATOM 0 HB3 TRP B 245 -22.755 14.034 1.381 1.00 0.00 H new ATOM 0 HD1 TRP B 245 -21.633 12.238 4.281 1.00 0.00 H new ATOM 0 HE1 TRP B 245 -19.067 12.233 4.543 1.00 0.00 H new ATOM 0 HE3 TRP B 245 -20.421 13.588 -0.471 1.00 0.00 H new ATOM 0 HZ2 TRP B 245 -16.842 12.735 2.880 1.00 0.00 H new ATOM 0 HZ3 TRP B 245 -18.055 13.799 -1.069 1.00 0.00 H new ATOM 0 HH2 TRP B 245 -16.293 13.385 0.579 1.00 0.00 H new ATOM 1817 N PHE B 246 -25.381 11.795 0.940 1.00 0.00 N ATOM 1818 CA PHE B 246 -26.609 11.807 0.190 1.00 0.00 C ATOM 1819 C PHE B 246 -27.812 11.609 1.115 1.00 0.00 C ATOM 1820 O PHE B 246 -28.859 12.231 0.940 1.00 0.00 O ATOM 1821 CB PHE B 246 -26.534 10.728 -0.912 1.00 0.00 C ATOM 1822 CG PHE B 246 -27.853 10.203 -1.380 1.00 0.00 C ATOM 1823 CD1 PHE B 246 -28.584 10.854 -2.354 1.00 0.00 C ATOM 1824 CD2 PHE B 246 -28.357 9.042 -0.822 1.00 0.00 C ATOM 1825 CE1 PHE B 246 -29.804 10.352 -2.764 1.00 0.00 C ATOM 1826 CE2 PHE B 246 -29.567 8.534 -1.221 1.00 0.00 C ATOM 1827 CZ PHE B 246 -30.298 9.190 -2.195 1.00 0.00 C ATOM 0 H PHE B 246 -24.779 11.001 0.723 1.00 0.00 H new ATOM 0 HA PHE B 246 -26.743 12.777 -0.288 1.00 0.00 H new ATOM 0 HB2 PHE B 246 -26.002 11.142 -1.768 1.00 0.00 H new ATOM 0 HB3 PHE B 246 -25.940 9.893 -0.541 1.00 0.00 H new ATOM 0 HD1 PHE B 246 -28.200 11.761 -2.798 1.00 0.00 H new ATOM 0 HD2 PHE B 246 -27.789 8.528 -0.061 1.00 0.00 H new ATOM 0 HE1 PHE B 246 -30.371 10.865 -3.527 1.00 0.00 H new ATOM 0 HE2 PHE B 246 -29.947 7.626 -0.777 1.00 0.00 H new ATOM 0 HZ PHE B 246 -31.253 8.797 -2.511 1.00 0.00 H new ATOM 1837 N ALA B 247 -27.646 10.771 2.097 1.00 0.00 N ATOM 1838 CA ALA B 247 -28.690 10.482 3.040 1.00 0.00 C ATOM 1839 C ALA B 247 -28.997 11.680 3.915 1.00 0.00 C ATOM 1840 O ALA B 247 -30.138 11.907 4.262 1.00 0.00 O ATOM 1841 CB ALA B 247 -28.324 9.280 3.881 1.00 0.00 C ATOM 0 H ALA B 247 -26.777 10.265 2.268 1.00 0.00 H new ATOM 0 HA ALA B 247 -29.594 10.250 2.477 1.00 0.00 H new ATOM 0 HB1 ALA B 247 -29.126 9.075 4.590 1.00 0.00 H new ATOM 0 HB2 ALA B 247 -28.180 8.414 3.235 1.00 0.00 H new ATOM 0 HB3 ALA B 247 -27.402 9.484 4.425 1.00 0.00 H new ATOM 1847 N LYS B 248 -27.992 12.478 4.223 1.00 0.00 N ATOM 1848 CA LYS B 248 -28.194 13.622 5.102 1.00 0.00 C ATOM 1849 C LYS B 248 -28.549 14.880 4.325 1.00 0.00 C ATOM 1850 O LYS B 248 -29.170 15.787 4.855 1.00 0.00 O ATOM 1851 CB LYS B 248 -26.980 13.831 6.035 1.00 0.00 C ATOM 1852 CG LYS B 248 -25.639 14.115 5.354 1.00 0.00 C ATOM 1853 CD LYS B 248 -25.425 15.597 5.053 1.00 0.00 C ATOM 1854 CE LYS B 248 -24.069 15.852 4.393 1.00 0.00 C ATOM 1855 NZ LYS B 248 -22.915 15.517 5.270 1.00 0.00 N ATOM 0 H LYS B 248 -27.037 12.361 3.884 1.00 0.00 H new ATOM 0 HA LYS B 248 -29.052 13.402 5.737 1.00 0.00 H new ATOM 0 HB2 LYS B 248 -27.204 14.660 6.707 1.00 0.00 H new ATOM 0 HB3 LYS B 248 -26.867 12.941 6.654 1.00 0.00 H new ATOM 0 HG2 LYS B 248 -24.831 13.759 5.993 1.00 0.00 H new ATOM 0 HG3 LYS B 248 -25.583 13.549 4.424 1.00 0.00 H new ATOM 0 HD2 LYS B 248 -26.221 15.954 4.399 1.00 0.00 H new ATOM 0 HD3 LYS B 248 -25.492 16.169 5.978 1.00 0.00 H new ATOM 0 HE2 LYS B 248 -24.003 15.265 3.477 1.00 0.00 H new ATOM 0 HE3 LYS B 248 -24.005 16.901 4.105 1.00 0.00 H new ATOM 0 HZ1 LYS B 248 -22.033 15.837 4.821 1.00 0.00 H new ATOM 0 HZ2 LYS B 248 -23.028 15.992 6.188 1.00 0.00 H new ATOM 0 HZ3 LYS B 248 -22.876 14.488 5.415 1.00 0.00 H new ATOM 1869 N GLN B 249 -28.213 14.898 3.047 1.00 0.00 N ATOM 1870 CA GLN B 249 -28.459 16.064 2.195 1.00 0.00 C ATOM 1871 C GLN B 249 -29.936 16.174 1.818 1.00 0.00 C ATOM 1872 O GLN B 249 -30.334 17.059 1.068 1.00 0.00 O ATOM 1873 CB GLN B 249 -27.581 16.022 0.941 1.00 0.00 C ATOM 1874 CG GLN B 249 -27.968 14.972 -0.070 1.00 0.00 C ATOM 1875 CD GLN B 249 -26.996 14.852 -1.233 1.00 0.00 C ATOM 1876 OE1 GLN B 249 -25.735 15.113 -0.985 1.00 0.00 O flip ATOM 1877 NE2 GLN B 249 -27.389 14.497 -2.347 1.00 0.00 N flip ATOM 0 H GLN B 249 -27.766 14.116 2.568 1.00 0.00 H new ATOM 0 HA GLN B 249 -28.193 16.953 2.767 1.00 0.00 H new ATOM 0 HB2 GLN B 249 -27.614 16.999 0.459 1.00 0.00 H new ATOM 0 HB3 GLN B 249 -26.548 15.851 1.244 1.00 0.00 H new ATOM 0 HG2 GLN B 249 -28.040 14.007 0.432 1.00 0.00 H new ATOM 0 HG3 GLN B 249 -28.959 15.204 -0.460 1.00 0.00 H new ATOM 0 HE21 GLN B 249 -28.378 14.303 -2.501 1.00 0.00 H new ATOM 0 HE22 GLN B 249 -26.724 14.397 -3.114 1.00 0.00 H new ATOM 1886 N ASN B 250 -30.729 15.259 2.344 1.00 0.00 N ATOM 1887 CA ASN B 250 -32.181 15.237 2.123 1.00 0.00 C ATOM 1888 C ASN B 250 -32.812 16.576 2.568 1.00 0.00 C ATOM 1889 O ASN B 250 -33.711 17.109 1.915 1.00 0.00 O ATOM 1890 CB ASN B 250 -32.846 14.047 2.857 1.00 0.00 C ATOM 1891 CG ASN B 250 -32.884 14.210 4.357 1.00 0.00 C ATOM 1892 OD1 ASN B 250 -33.841 14.691 4.909 1.00 0.00 O ATOM 1893 ND2 ASN B 250 -31.851 13.817 5.012 1.00 0.00 N ATOM 0 H ASN B 250 -30.392 14.503 2.940 1.00 0.00 H new ATOM 0 HA ASN B 250 -32.357 15.105 1.055 1.00 0.00 H new ATOM 0 HB2 ASN B 250 -33.864 13.925 2.487 1.00 0.00 H new ATOM 0 HB3 ASN B 250 -32.306 13.132 2.612 1.00 0.00 H new ATOM 0 HD21 ASN B 250 -31.826 13.908 6.028 1.00 0.00 H new ATOM 0 HD22 ASN B 250 -31.056 13.414 4.516 1.00 0.00 H new ATOM 1900 N GLU B 251 -32.303 17.110 3.665 1.00 0.00 N ATOM 1901 CA GLU B 251 -32.687 18.391 4.197 1.00 0.00 C ATOM 1902 C GLU B 251 -31.420 19.055 4.672 1.00 0.00 C ATOM 1903 O GLU B 251 -30.767 18.573 5.596 1.00 0.00 O ATOM 1904 CB GLU B 251 -33.707 18.263 5.346 1.00 0.00 C ATOM 1905 CG GLU B 251 -35.032 17.634 4.920 1.00 0.00 C ATOM 1906 CD GLU B 251 -36.074 17.579 6.010 1.00 0.00 C ATOM 1907 OE1 GLU B 251 -36.768 18.577 6.213 1.00 0.00 O ATOM 1908 OE2 GLU B 251 -36.260 16.509 6.654 1.00 0.00 O ATOM 0 H GLU B 251 -31.588 16.642 4.223 1.00 0.00 H new ATOM 0 HA GLU B 251 -33.183 18.984 3.428 1.00 0.00 H new ATOM 0 HB2 GLU B 251 -33.269 17.663 6.144 1.00 0.00 H new ATOM 0 HB3 GLU B 251 -33.901 19.252 5.761 1.00 0.00 H new ATOM 0 HG2 GLU B 251 -35.434 18.198 4.078 1.00 0.00 H new ATOM 0 HG3 GLU B 251 -34.842 16.621 4.564 1.00 0.00 H new ATOM 1915 N ILE B 252 -31.048 20.121 4.026 1.00 0.00 N ATOM 1916 CA ILE B 252 -29.774 20.744 4.281 1.00 0.00 C ATOM 1917 C ILE B 252 -29.886 21.990 5.134 1.00 0.00 C ATOM 1918 O ILE B 252 -29.048 22.228 5.996 1.00 0.00 O ATOM 1919 CB ILE B 252 -29.009 21.062 2.964 1.00 0.00 C ATOM 1920 CG1 ILE B 252 -29.862 21.933 2.019 1.00 0.00 C ATOM 1921 CG2 ILE B 252 -28.586 19.772 2.275 1.00 0.00 C ATOM 1922 CD1 ILE B 252 -29.166 22.317 0.734 1.00 0.00 C ATOM 0 H ILE B 252 -31.611 20.583 3.312 1.00 0.00 H new ATOM 0 HA ILE B 252 -29.199 20.011 4.848 1.00 0.00 H new ATOM 0 HB ILE B 252 -28.114 21.630 3.219 1.00 0.00 H new ATOM 0 HG12 ILE B 252 -30.779 21.395 1.776 1.00 0.00 H new ATOM 0 HG13 ILE B 252 -30.155 22.841 2.546 1.00 0.00 H new ATOM 0 HG21 ILE B 252 -28.052 20.009 1.355 1.00 0.00 H new ATOM 0 HG22 ILE B 252 -27.933 19.203 2.937 1.00 0.00 H new ATOM 0 HG23 ILE B 252 -29.470 19.179 2.039 1.00 0.00 H new ATOM 0 HD11 ILE B 252 -29.834 22.928 0.127 1.00 0.00 H new ATOM 0 HD12 ILE B 252 -28.264 22.884 0.964 1.00 0.00 H new ATOM 0 HD13 ILE B 252 -28.897 21.416 0.183 1.00 0.00 H new ATOM 1934 N ASN B 253 -30.925 22.761 4.925 1.00 0.00 N ATOM 1935 CA ASN B 253 -31.077 24.036 5.637 1.00 0.00 C ATOM 1936 C ASN B 253 -32.186 23.933 6.648 1.00 0.00 C ATOM 1937 O ASN B 253 -32.302 24.740 7.568 1.00 0.00 O ATOM 1938 CB ASN B 253 -31.412 25.157 4.648 1.00 0.00 C ATOM 1939 CG ASN B 253 -32.837 25.087 4.112 1.00 0.00 C ATOM 1940 OD1 ASN B 253 -33.753 25.658 4.679 1.00 0.00 O ATOM 1941 ND2 ASN B 253 -33.022 24.425 3.018 1.00 0.00 N ATOM 0 H ASN B 253 -31.681 22.543 4.275 1.00 0.00 H new ATOM 0 HA ASN B 253 -30.138 24.262 6.142 1.00 0.00 H new ATOM 0 HB2 ASN B 253 -31.263 26.119 5.137 1.00 0.00 H new ATOM 0 HB3 ASN B 253 -30.715 25.113 3.811 1.00 0.00 H new ATOM 0 HD21 ASN B 253 -33.954 24.370 2.606 1.00 0.00 H new ATOM 0 HD22 ASN B 253 -32.236 23.957 2.566 1.00 0.00 H new ATOM 1948 N GLU B 254 -32.993 22.947 6.449 1.00 0.00 N ATOM 1949 CA GLU B 254 -34.158 22.697 7.238 1.00 0.00 C ATOM 1950 C GLU B 254 -33.838 21.913 8.490 1.00 0.00 C ATOM 1951 O GLU B 254 -32.661 21.690 8.819 1.00 0.00 O ATOM 1952 CB GLU B 254 -35.150 21.956 6.376 1.00 0.00 C ATOM 1953 CG GLU B 254 -35.864 22.831 5.405 1.00 0.00 C ATOM 1954 CD GLU B 254 -36.659 22.042 4.421 1.00 0.00 C ATOM 1955 OE1 GLU B 254 -36.081 21.507 3.461 1.00 0.00 O ATOM 1956 OE2 GLU B 254 -37.890 21.935 4.586 1.00 0.00 O ATOM 0 H GLU B 254 -32.857 22.264 5.704 1.00 0.00 H new ATOM 0 HA GLU B 254 -34.578 23.645 7.573 1.00 0.00 H new ATOM 0 HB2 GLU B 254 -34.629 21.170 5.829 1.00 0.00 H new ATOM 0 HB3 GLU B 254 -35.882 21.466 7.018 1.00 0.00 H new ATOM 0 HG2 GLU B 254 -36.525 23.508 5.946 1.00 0.00 H new ATOM 0 HG3 GLU B 254 -35.140 23.449 4.874 1.00 0.00 H new