USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 712 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 57 MET CE :methyl 146:sc= -0.483 (180deg=-1.48!) USER MOD Set 1.2: A 70 GLN : amide:sc= -2.61 K(o=-3.1,f=-7!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= -1.16 USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.143 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.0632 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.518 K(o=-0.52,f=-2) USER MOD Single : A 28 GLN : amide:sc= -3.14! C(o=-3.1!,f=-19!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -118:sc= -0.524 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc=-0.00689 X(o=-0.0069,f=0) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -0.879 K(o=-0.88,f=-4.5!) USER MOD Single : A 48 SER OG : rot -3:sc= -0.141 USER MOD Single : A 49 GLN : amide:sc= -0.0419 X(o=-0.042,f=-0.49) USER MOD Single : A 51 ASN : amide:sc= -0.197 K(o=-0.2,f=-1.3!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.0283 X(o=-0.028,f=-0.18) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -6.5! C(o=-6.5!,f=-5.4!) USER MOD Single : A 75 ASN : amide:sc= -0.396 K(o=-0.4,f=-3.1!) USER MOD Single : A 76 HIS : no HD1:sc= -1.77! C(o=-1.8!,f=-2.1!) USER MOD Single : A 77 TYR OH : rot 180:sc=-0.00851 USER MOD Single : A 78 CYS SG : rot 80:sc= -1.04 USER MOD Single : A 81 TYR OH : rot 158:sc= 1.23 USER MOD Single : A 90 GLN : amide:sc= -0.728 X(o=-0.73,f=-0.52) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.0151 X(o=-0.015,f=-0.028) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 103 N GLY A 10 10.211 -7.482 -3.744 1.00 0.00 N ATOM 104 CA GLY A 10 9.333 -7.705 -2.608 1.00 0.00 C ATOM 105 C GLY A 10 8.493 -6.461 -2.311 1.00 0.00 C ATOM 106 O GLY A 10 8.758 -5.744 -1.347 1.00 0.00 O ATOM 0 HA2 GLY A 10 8.677 -8.551 -2.812 1.00 0.00 H new ATOM 0 HA3 GLY A 10 9.926 -7.966 -1.731 1.00 0.00 H new ATOM 110 N LEU A 11 7.497 -6.243 -3.158 1.00 0.00 N ATOM 111 CA LEU A 11 6.617 -5.098 -2.998 1.00 0.00 C ATOM 112 C LEU A 11 5.666 -5.350 -1.826 1.00 0.00 C ATOM 113 O LEU A 11 5.035 -6.403 -1.749 1.00 0.00 O ATOM 114 CB LEU A 11 5.901 -4.786 -4.314 1.00 0.00 C ATOM 115 CG LEU A 11 5.990 -3.337 -4.798 1.00 0.00 C ATOM 116 CD1 LEU A 11 5.085 -2.425 -3.968 1.00 0.00 C ATOM 117 CD2 LEU A 11 7.441 -2.850 -4.808 1.00 0.00 C ATOM 0 H LEU A 11 7.280 -6.840 -3.956 1.00 0.00 H new ATOM 0 HA LEU A 11 7.193 -4.205 -2.755 1.00 0.00 H new ATOM 0 HB2 LEU A 11 6.310 -5.433 -5.090 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.849 -5.047 -4.203 1.00 0.00 H new ATOM 0 HG LEU A 11 5.630 -3.298 -5.826 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.167 -1.401 -4.333 1.00 0.00 H new ATOM 0 HD12 LEU A 11 4.051 -2.760 -4.056 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.390 -2.463 -2.922 1.00 0.00 H new ATOM 0 HD21 LEU A 11 7.476 -1.818 -5.156 1.00 0.00 H new ATOM 0 HD22 LEU A 11 7.851 -2.907 -3.800 1.00 0.00 H new ATOM 0 HD23 LEU A 11 8.031 -3.478 -5.476 1.00 0.00 H new ATOM 129 N ARG A 12 5.594 -4.366 -0.942 1.00 0.00 N ATOM 130 CA ARG A 12 4.732 -4.468 0.223 1.00 0.00 C ATOM 131 C ARG A 12 3.878 -3.206 0.363 1.00 0.00 C ATOM 132 O ARG A 12 4.393 -2.092 0.280 1.00 0.00 O ATOM 133 CB ARG A 12 5.551 -4.666 1.500 1.00 0.00 C ATOM 134 CG ARG A 12 6.383 -5.948 1.424 1.00 0.00 C ATOM 135 CD ARG A 12 6.370 -6.690 2.762 1.00 0.00 C ATOM 136 NE ARG A 12 7.731 -7.174 3.086 1.00 0.00 N ATOM 137 CZ ARG A 12 8.009 -8.018 4.089 1.00 0.00 C ATOM 138 NH1 ARG A 12 7.023 -8.477 4.871 1.00 0.00 N ATOM 139 NH2 ARG A 12 9.273 -8.403 4.309 1.00 0.00 N ATOM 0 H ARG A 12 6.119 -3.494 -1.009 1.00 0.00 H new ATOM 0 HA ARG A 12 4.086 -5.335 0.082 1.00 0.00 H new ATOM 0 HB2 ARG A 12 6.208 -3.810 1.651 1.00 0.00 H new ATOM 0 HB3 ARG A 12 4.884 -4.712 2.361 1.00 0.00 H new ATOM 0 HG2 ARG A 12 5.989 -6.596 0.641 1.00 0.00 H new ATOM 0 HG3 ARG A 12 7.409 -5.704 1.149 1.00 0.00 H new ATOM 0 HD2 ARG A 12 6.013 -6.028 3.551 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.678 -7.531 2.714 1.00 0.00 H new ATOM 0 HE ARG A 12 8.505 -6.844 2.510 1.00 0.00 H new ATOM 0 HH11 ARG A 12 6.061 -8.184 4.703 1.00 0.00 H new ATOM 0 HH12 ARG A 12 7.235 -9.119 5.634 1.00 0.00 H new ATOM 0 HH21 ARG A 12 10.024 -8.054 3.713 1.00 0.00 H new ATOM 0 HH22 ARG A 12 9.485 -9.045 5.072 1.00 0.00 H new ATOM 153 N VAL A 13 2.588 -3.423 0.575 1.00 0.00 N ATOM 154 CA VAL A 13 1.659 -2.317 0.728 1.00 0.00 C ATOM 155 C VAL A 13 1.058 -2.352 2.135 1.00 0.00 C ATOM 156 O VAL A 13 0.123 -3.107 2.396 1.00 0.00 O ATOM 157 CB VAL A 13 0.600 -2.367 -0.376 1.00 0.00 C ATOM 158 CG1 VAL A 13 -0.563 -1.423 -0.063 1.00 0.00 C ATOM 159 CG2 VAL A 13 1.214 -2.047 -1.740 1.00 0.00 C ATOM 0 H VAL A 13 2.165 -4.348 0.644 1.00 0.00 H new ATOM 0 HA VAL A 13 2.178 -1.365 0.620 1.00 0.00 H new ATOM 0 HB VAL A 13 0.206 -3.382 -0.416 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.301 -1.478 -0.863 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.026 -1.716 0.879 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -0.191 -0.402 0.018 1.00 0.00 H new ATOM 0 HG21 VAL A 13 0.440 -2.089 -2.506 1.00 0.00 H new ATOM 0 HG22 VAL A 13 1.648 -1.048 -1.718 1.00 0.00 H new ATOM 0 HG23 VAL A 13 1.992 -2.776 -1.969 1.00 0.00 H new ATOM 169 N TYR A 14 1.620 -1.525 3.004 1.00 0.00 N ATOM 170 CA TYR A 14 1.152 -1.452 4.378 1.00 0.00 C ATOM 171 C TYR A 14 -0.190 -0.722 4.461 1.00 0.00 C ATOM 172 O TYR A 14 -0.237 0.506 4.409 1.00 0.00 O ATOM 173 CB TYR A 14 2.205 -0.646 5.140 1.00 0.00 C ATOM 174 CG TYR A 14 3.502 -1.413 5.407 1.00 0.00 C ATOM 175 CD1 TYR A 14 4.413 -1.605 4.388 1.00 0.00 C ATOM 176 CD2 TYR A 14 3.761 -1.913 6.667 1.00 0.00 C ATOM 177 CE1 TYR A 14 5.633 -2.327 4.640 1.00 0.00 C ATOM 178 CE2 TYR A 14 4.982 -2.634 6.919 1.00 0.00 C ATOM 179 CZ TYR A 14 5.857 -2.806 5.893 1.00 0.00 C ATOM 180 OH TYR A 14 7.010 -3.487 6.131 1.00 0.00 O ATOM 0 H TYR A 14 2.395 -0.900 2.784 1.00 0.00 H new ATOM 0 HA TYR A 14 1.012 -2.452 4.790 1.00 0.00 H new ATOM 0 HB2 TYR A 14 2.438 0.256 4.573 1.00 0.00 H new ATOM 0 HB3 TYR A 14 1.783 -0.324 6.092 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.211 -1.214 3.402 1.00 0.00 H new ATOM 0 HD2 TYR A 14 3.048 -1.764 7.464 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.354 -2.485 3.852 1.00 0.00 H new ATOM 0 HE2 TYR A 14 5.198 -3.029 7.901 1.00 0.00 H new ATOM 0 HH TYR A 14 7.036 -3.769 7.069 1.00 0.00 H new ATOM 190 N SER A 15 -1.249 -1.509 4.589 1.00 0.00 N ATOM 191 CA SER A 15 -2.588 -0.953 4.680 1.00 0.00 C ATOM 192 C SER A 15 -3.283 -1.466 5.943 1.00 0.00 C ATOM 193 O SER A 15 -3.117 -2.625 6.320 1.00 0.00 O ATOM 194 CB SER A 15 -3.415 -1.302 3.441 1.00 0.00 C ATOM 195 OG SER A 15 -2.611 -1.852 2.401 1.00 0.00 O ATOM 0 H SER A 15 -1.206 -2.527 4.632 1.00 0.00 H new ATOM 0 HA SER A 15 -2.504 0.132 4.734 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.193 -2.015 3.713 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.917 -0.406 3.076 1.00 0.00 H new ATOM 0 HG SER A 15 -3.175 -2.063 1.628 1.00 0.00 H new ATOM 201 N THR A 16 -4.046 -0.578 6.563 1.00 0.00 N ATOM 202 CA THR A 16 -4.766 -0.926 7.776 1.00 0.00 C ATOM 203 C THR A 16 -6.245 -1.166 7.467 1.00 0.00 C ATOM 204 O THR A 16 -6.849 -0.426 6.691 1.00 0.00 O ATOM 205 CB THR A 16 -4.532 0.185 8.801 1.00 0.00 C ATOM 206 OG1 THR A 16 -5.124 -0.315 9.996 1.00 0.00 O ATOM 207 CG2 THR A 16 -5.334 1.449 8.488 1.00 0.00 C ATOM 0 H THR A 16 -4.181 0.383 6.248 1.00 0.00 H new ATOM 0 HA THR A 16 -4.398 -1.861 8.200 1.00 0.00 H new ATOM 0 HB THR A 16 -3.470 0.429 8.836 1.00 0.00 H new ATOM 0 HG1 THR A 16 -5.016 0.343 10.714 1.00 0.00 H new ATOM 0 HG21 THR A 16 -5.131 2.206 9.246 1.00 0.00 H new ATOM 0 HG22 THR A 16 -5.045 1.830 7.509 1.00 0.00 H new ATOM 0 HG23 THR A 16 -6.398 1.213 8.486 1.00 0.00 H new ATOM 215 N SER A 17 -6.787 -2.202 8.090 1.00 0.00 N ATOM 216 CA SER A 17 -8.184 -2.549 7.892 1.00 0.00 C ATOM 217 C SER A 17 -9.051 -1.840 8.934 1.00 0.00 C ATOM 218 O SER A 17 -10.187 -1.463 8.648 1.00 0.00 O ATOM 219 CB SER A 17 -8.392 -4.062 7.968 1.00 0.00 C ATOM 220 OG SER A 17 -9.699 -4.443 7.546 1.00 0.00 O ATOM 0 H SER A 17 -6.283 -2.813 8.733 1.00 0.00 H new ATOM 0 HA SER A 17 -8.481 -2.219 6.896 1.00 0.00 H new ATOM 0 HB2 SER A 17 -7.650 -4.562 7.345 1.00 0.00 H new ATOM 0 HB3 SER A 17 -8.229 -4.399 8.991 1.00 0.00 H new ATOM 0 HG SER A 17 -9.792 -5.417 7.608 1.00 0.00 H new ATOM 226 N VAL A 18 -8.484 -1.680 10.120 1.00 0.00 N ATOM 227 CA VAL A 18 -9.191 -1.023 11.206 1.00 0.00 C ATOM 228 C VAL A 18 -8.820 0.461 11.228 1.00 0.00 C ATOM 229 O VAL A 18 -7.873 0.857 11.906 1.00 0.00 O ATOM 230 CB VAL A 18 -8.895 -1.733 12.529 1.00 0.00 C ATOM 231 CG1 VAL A 18 -9.155 -3.236 12.414 1.00 0.00 C ATOM 232 CG2 VAL A 18 -7.462 -1.458 12.990 1.00 0.00 C ATOM 0 H VAL A 18 -7.542 -1.994 10.353 1.00 0.00 H new ATOM 0 HA VAL A 18 -10.268 -1.086 11.053 1.00 0.00 H new ATOM 0 HB VAL A 18 -9.572 -1.332 13.283 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -8.937 -3.717 13.368 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -10.199 -3.406 12.152 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -8.514 -3.658 11.640 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -7.278 -1.974 13.932 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -6.762 -1.818 12.236 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -7.324 -0.386 13.131 1.00 0.00 H new ATOM 242 N THR A 19 -9.584 1.240 10.477 1.00 0.00 N ATOM 243 CA THR A 19 -9.347 2.672 10.401 1.00 0.00 C ATOM 244 C THR A 19 -10.674 3.429 10.330 1.00 0.00 C ATOM 245 O THR A 19 -11.576 3.040 9.589 1.00 0.00 O ATOM 246 CB THR A 19 -8.431 2.937 9.205 1.00 0.00 C ATOM 247 OG1 THR A 19 -8.488 4.350 9.030 1.00 0.00 O ATOM 248 CG2 THR A 19 -8.996 2.376 7.899 1.00 0.00 C ATOM 0 H THR A 19 -10.368 0.907 9.916 1.00 0.00 H new ATOM 0 HA THR A 19 -8.848 3.038 11.298 1.00 0.00 H new ATOM 0 HB THR A 19 -7.451 2.498 9.394 1.00 0.00 H new ATOM 0 HG1 THR A 19 -7.920 4.609 8.275 1.00 0.00 H new ATOM 0 HG21 THR A 19 -8.307 2.591 7.082 1.00 0.00 H new ATOM 0 HG22 THR A 19 -9.123 1.297 7.991 1.00 0.00 H new ATOM 0 HG23 THR A 19 -9.961 2.839 7.691 1.00 0.00 H new ATOM 256 N GLY A 20 -10.752 4.498 11.109 1.00 0.00 N ATOM 257 CA GLY A 20 -11.954 5.314 11.143 1.00 0.00 C ATOM 258 C GLY A 20 -11.737 6.641 10.414 1.00 0.00 C ATOM 259 O GLY A 20 -12.431 7.621 10.681 1.00 0.00 O ATOM 0 H GLY A 20 -10.002 4.818 11.722 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -12.779 4.772 10.681 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -12.238 5.506 12.178 1.00 0.00 H new ATOM 263 N SER A 21 -10.769 6.631 9.509 1.00 0.00 N ATOM 264 CA SER A 21 -10.452 7.822 8.740 1.00 0.00 C ATOM 265 C SER A 21 -11.154 7.771 7.381 1.00 0.00 C ATOM 266 O SER A 21 -11.354 8.803 6.742 1.00 0.00 O ATOM 267 CB SER A 21 -8.941 7.969 8.551 1.00 0.00 C ATOM 268 OG SER A 21 -8.354 8.791 9.556 1.00 0.00 O ATOM 0 H SER A 21 -10.194 5.817 9.291 1.00 0.00 H new ATOM 0 HA SER A 21 -10.809 8.691 9.293 1.00 0.00 H new ATOM 0 HB2 SER A 21 -8.476 6.984 8.572 1.00 0.00 H new ATOM 0 HB3 SER A 21 -8.739 8.397 7.569 1.00 0.00 H new ATOM 0 HG SER A 21 -7.389 8.858 9.401 1.00 0.00 H new ATOM 274 N ARG A 22 -11.509 6.559 6.980 1.00 0.00 N ATOM 275 CA ARG A 22 -12.185 6.360 5.709 1.00 0.00 C ATOM 276 C ARG A 22 -11.266 6.757 4.552 1.00 0.00 C ATOM 277 O ARG A 22 -10.766 5.897 3.829 1.00 0.00 O ATOM 278 CB ARG A 22 -13.473 7.182 5.635 1.00 0.00 C ATOM 279 CG ARG A 22 -14.585 6.536 6.463 1.00 0.00 C ATOM 280 CD ARG A 22 -15.820 7.437 6.521 1.00 0.00 C ATOM 281 NE ARG A 22 -15.957 8.021 7.874 1.00 0.00 N ATOM 282 CZ ARG A 22 -17.100 8.521 8.364 1.00 0.00 C ATOM 283 NH1 ARG A 22 -18.211 8.512 7.615 1.00 0.00 N ATOM 284 NH2 ARG A 22 -17.131 9.030 9.604 1.00 0.00 N ATOM 0 H ARG A 22 -11.341 5.705 7.512 1.00 0.00 H new ATOM 0 HA ARG A 22 -12.438 5.303 5.630 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -13.285 8.192 5.998 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -13.793 7.271 4.597 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -14.853 5.573 6.029 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -14.225 6.341 7.473 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -15.736 8.232 5.780 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -16.712 6.862 6.272 1.00 0.00 H new ATOM 0 HE ARG A 22 -15.130 8.044 8.471 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -18.187 8.125 6.672 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -19.081 8.893 7.988 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -16.285 9.037 10.174 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -18.001 9.411 9.977 1.00 0.00 H new ATOM 298 N GLU A 23 -11.073 8.060 4.412 1.00 0.00 N ATOM 299 CA GLU A 23 -10.224 8.581 3.355 1.00 0.00 C ATOM 300 C GLU A 23 -9.019 7.663 3.140 1.00 0.00 C ATOM 301 O GLU A 23 -8.670 7.347 2.003 1.00 0.00 O ATOM 302 CB GLU A 23 -9.774 10.010 3.667 1.00 0.00 C ATOM 303 CG GLU A 23 -10.724 11.033 3.041 1.00 0.00 C ATOM 304 CD GLU A 23 -11.339 11.938 4.111 1.00 0.00 C ATOM 305 OE1 GLU A 23 -10.564 12.710 4.714 1.00 0.00 O ATOM 306 OE2 GLU A 23 -12.570 11.836 4.301 1.00 0.00 O ATOM 0 H GLU A 23 -11.490 8.771 5.013 1.00 0.00 H new ATOM 0 HA GLU A 23 -10.804 8.610 2.432 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -9.737 10.156 4.747 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -8.764 10.168 3.289 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -10.183 11.639 2.314 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -11.515 10.515 2.499 1.00 0.00 H new ATOM 313 N ILE A 24 -8.418 7.259 4.249 1.00 0.00 N ATOM 314 CA ILE A 24 -7.260 6.383 4.196 1.00 0.00 C ATOM 315 C ILE A 24 -7.608 5.133 3.385 1.00 0.00 C ATOM 316 O ILE A 24 -6.932 4.815 2.408 1.00 0.00 O ATOM 317 CB ILE A 24 -6.753 6.078 5.608 1.00 0.00 C ATOM 318 CG1 ILE A 24 -6.242 7.348 6.292 1.00 0.00 C ATOM 319 CG2 ILE A 24 -5.695 4.974 5.584 1.00 0.00 C ATOM 320 CD1 ILE A 24 -5.479 7.009 7.574 1.00 0.00 C ATOM 0 H ILE A 24 -8.711 7.522 5.190 1.00 0.00 H new ATOM 0 HA ILE A 24 -6.433 6.876 3.685 1.00 0.00 H new ATOM 0 HB ILE A 24 -7.590 5.708 6.200 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -5.591 7.896 5.611 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -7.082 8.003 6.526 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.352 4.777 6.600 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -6.127 4.065 5.164 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.851 5.292 4.971 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.126 7.928 8.041 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -6.140 6.483 8.262 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.626 6.374 7.333 1.00 0.00 H new ATOM 332 N LYS A 25 -8.662 4.459 3.820 1.00 0.00 N ATOM 333 CA LYS A 25 -9.108 3.251 3.147 1.00 0.00 C ATOM 334 C LYS A 25 -9.011 3.451 1.633 1.00 0.00 C ATOM 335 O LYS A 25 -8.299 2.715 0.951 1.00 0.00 O ATOM 336 CB LYS A 25 -10.507 2.856 3.626 1.00 0.00 C ATOM 337 CG LYS A 25 -10.476 2.395 5.084 1.00 0.00 C ATOM 338 CD LYS A 25 -11.651 1.462 5.389 1.00 0.00 C ATOM 339 CE LYS A 25 -12.656 2.135 6.325 1.00 0.00 C ATOM 340 NZ LYS A 25 -13.102 1.190 7.373 1.00 0.00 N ATOM 0 H LYS A 25 -9.220 4.726 4.631 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.460 2.412 3.401 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -11.184 3.704 3.523 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.899 2.057 2.996 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.537 1.881 5.287 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.514 3.262 5.744 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -12.146 1.179 4.460 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -11.282 0.544 5.845 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -12.201 3.011 6.787 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -13.515 2.486 5.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -13.784 1.663 8.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.555 0.366 6.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.281 0.876 7.929 1.00 0.00 H new ATOM 354 N SER A 26 -9.736 4.450 1.152 1.00 0.00 N ATOM 355 CA SER A 26 -9.740 4.756 -0.269 1.00 0.00 C ATOM 356 C SER A 26 -8.319 4.662 -0.828 1.00 0.00 C ATOM 357 O SER A 26 -8.068 3.915 -1.772 1.00 0.00 O ATOM 358 CB SER A 26 -10.323 6.146 -0.531 1.00 0.00 C ATOM 359 OG SER A 26 -11.513 6.086 -1.314 1.00 0.00 O ATOM 0 H SER A 26 -10.325 5.058 1.721 1.00 0.00 H new ATOM 0 HA SER A 26 -10.372 4.026 -0.775 1.00 0.00 H new ATOM 0 HB2 SER A 26 -10.538 6.634 0.420 1.00 0.00 H new ATOM 0 HB3 SER A 26 -9.582 6.759 -1.044 1.00 0.00 H new ATOM 0 HG SER A 26 -11.856 6.993 -1.458 1.00 0.00 H new ATOM 365 N GLN A 27 -7.427 5.431 -0.221 1.00 0.00 N ATOM 366 CA GLN A 27 -6.037 5.444 -0.647 1.00 0.00 C ATOM 367 C GLN A 27 -5.494 4.016 -0.730 1.00 0.00 C ATOM 368 O GLN A 27 -4.738 3.688 -1.643 1.00 0.00 O ATOM 369 CB GLN A 27 -5.185 6.301 0.290 1.00 0.00 C ATOM 370 CG GLN A 27 -5.504 7.787 0.116 1.00 0.00 C ATOM 371 CD GLN A 27 -5.509 8.509 1.466 1.00 0.00 C ATOM 372 OE1 GLN A 27 -4.873 8.097 2.422 1.00 0.00 O ATOM 373 NE2 GLN A 27 -6.260 9.606 1.490 1.00 0.00 N ATOM 0 H GLN A 27 -7.639 6.049 0.562 1.00 0.00 H new ATOM 0 HA GLN A 27 -5.986 5.889 -1.640 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -5.365 6.005 1.324 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -4.128 6.126 0.088 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -4.767 8.246 -0.543 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -6.476 7.900 -0.365 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -6.767 9.895 0.654 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -6.329 10.158 2.345 1.00 0.00 H new ATOM 382 N GLN A 28 -5.901 3.205 0.235 1.00 0.00 N ATOM 383 CA GLN A 28 -5.465 1.820 0.283 1.00 0.00 C ATOM 384 C GLN A 28 -6.088 1.027 -0.868 1.00 0.00 C ATOM 385 O GLN A 28 -5.395 0.287 -1.564 1.00 0.00 O ATOM 386 CB GLN A 28 -5.804 1.184 1.633 1.00 0.00 C ATOM 387 CG GLN A 28 -5.271 2.034 2.788 1.00 0.00 C ATOM 388 CD GLN A 28 -5.363 1.276 4.114 1.00 0.00 C ATOM 389 OE1 GLN A 28 -4.441 1.258 4.913 1.00 0.00 O ATOM 390 NE2 GLN A 28 -6.523 0.654 4.302 1.00 0.00 N ATOM 0 H GLN A 28 -6.529 3.481 0.990 1.00 0.00 H new ATOM 0 HA GLN A 28 -4.381 1.797 0.170 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.884 1.074 1.726 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -5.376 0.183 1.685 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -4.234 2.309 2.594 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -5.840 2.961 2.855 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -7.253 0.710 3.592 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -6.683 0.121 5.157 1.00 0.00 H new ATOM 399 N SER A 29 -7.390 1.210 -1.034 1.00 0.00 N ATOM 400 CA SER A 29 -8.114 0.521 -2.088 1.00 0.00 C ATOM 401 C SER A 29 -7.618 0.992 -3.457 1.00 0.00 C ATOM 402 O SER A 29 -7.429 0.183 -4.364 1.00 0.00 O ATOM 403 CB SER A 29 -9.622 0.751 -1.962 1.00 0.00 C ATOM 404 OG SER A 29 -10.311 -0.431 -1.564 1.00 0.00 O ATOM 0 H SER A 29 -7.962 1.826 -0.456 1.00 0.00 H new ATOM 0 HA SER A 29 -7.927 -0.548 -1.989 1.00 0.00 H new ATOM 0 HB2 SER A 29 -9.809 1.542 -1.235 1.00 0.00 H new ATOM 0 HB3 SER A 29 -10.017 1.097 -2.917 1.00 0.00 H new ATOM 0 HG SER A 29 -11.270 -0.242 -1.493 1.00 0.00 H new ATOM 410 N GLU A 30 -7.422 2.298 -3.563 1.00 0.00 N ATOM 411 CA GLU A 30 -6.952 2.885 -4.806 1.00 0.00 C ATOM 412 C GLU A 30 -5.611 2.270 -5.210 1.00 0.00 C ATOM 413 O GLU A 30 -5.519 1.590 -6.231 1.00 0.00 O ATOM 414 CB GLU A 30 -6.843 4.407 -4.686 1.00 0.00 C ATOM 415 CG GLU A 30 -7.950 5.100 -5.482 1.00 0.00 C ATOM 416 CD GLU A 30 -7.376 5.831 -6.698 1.00 0.00 C ATOM 417 OE1 GLU A 30 -6.831 6.937 -6.490 1.00 0.00 O ATOM 418 OE2 GLU A 30 -7.496 5.268 -7.807 1.00 0.00 O ATOM 0 H GLU A 30 -7.580 2.966 -2.809 1.00 0.00 H new ATOM 0 HA GLU A 30 -7.680 2.666 -5.587 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.907 4.698 -3.638 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -5.869 4.735 -5.049 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -8.683 4.363 -5.809 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.474 5.809 -4.841 1.00 0.00 H new ATOM 425 N VAL A 31 -4.605 2.530 -4.388 1.00 0.00 N ATOM 426 CA VAL A 31 -3.273 2.010 -4.648 1.00 0.00 C ATOM 427 C VAL A 31 -3.381 0.564 -5.136 1.00 0.00 C ATOM 428 O VAL A 31 -2.903 0.233 -6.220 1.00 0.00 O ATOM 429 CB VAL A 31 -2.402 2.155 -3.398 1.00 0.00 C ATOM 430 CG1 VAL A 31 -1.087 1.389 -3.554 1.00 0.00 C ATOM 431 CG2 VAL A 31 -2.143 3.629 -3.079 1.00 0.00 C ATOM 0 H VAL A 31 -4.685 3.094 -3.542 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.786 2.584 -5.436 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.945 1.720 -2.559 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.487 1.509 -2.652 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.298 0.331 -3.711 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.537 1.780 -4.410 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.522 3.704 -2.186 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.630 4.098 -3.919 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.092 4.136 -2.904 1.00 0.00 H new ATOM 441 N THR A 32 -4.013 -0.260 -4.312 1.00 0.00 N ATOM 442 CA THR A 32 -4.190 -1.663 -4.646 1.00 0.00 C ATOM 443 C THR A 32 -4.892 -1.805 -5.998 1.00 0.00 C ATOM 444 O THR A 32 -4.589 -2.716 -6.766 1.00 0.00 O ATOM 445 CB THR A 32 -4.945 -2.331 -3.495 1.00 0.00 C ATOM 446 OG1 THR A 32 -6.015 -1.433 -3.214 1.00 0.00 O ATOM 447 CG2 THR A 32 -4.132 -2.360 -2.200 1.00 0.00 C ATOM 0 H THR A 32 -4.409 0.018 -3.414 1.00 0.00 H new ATOM 0 HA THR A 32 -3.230 -2.167 -4.760 1.00 0.00 H new ATOM 0 HB THR A 32 -5.211 -3.349 -3.778 1.00 0.00 H new ATOM 0 HG1 THR A 32 -5.927 -1.096 -2.298 1.00 0.00 H new ATOM 0 HG21 THR A 32 -4.714 -2.844 -1.416 1.00 0.00 H new ATOM 0 HG22 THR A 32 -3.209 -2.916 -2.363 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.893 -1.340 -1.897 1.00 0.00 H new ATOM 455 N ARG A 33 -5.818 -0.890 -6.246 1.00 0.00 N ATOM 456 CA ARG A 33 -6.566 -0.901 -7.492 1.00 0.00 C ATOM 457 C ARG A 33 -5.619 -0.728 -8.681 1.00 0.00 C ATOM 458 O ARG A 33 -5.593 -1.563 -9.585 1.00 0.00 O ATOM 459 CB ARG A 33 -7.613 0.214 -7.516 1.00 0.00 C ATOM 460 CG ARG A 33 -8.884 -0.243 -8.234 1.00 0.00 C ATOM 461 CD ARG A 33 -9.978 0.823 -8.143 1.00 0.00 C ATOM 462 NE ARG A 33 -10.296 1.339 -9.493 1.00 0.00 N ATOM 463 CZ ARG A 33 -10.918 2.502 -9.726 1.00 0.00 C ATOM 464 NH1 ARG A 33 -11.293 3.278 -8.700 1.00 0.00 N ATOM 465 NH2 ARG A 33 -11.164 2.891 -10.985 1.00 0.00 N ATOM 0 H ARG A 33 -6.067 -0.136 -5.605 1.00 0.00 H new ATOM 0 HA ARG A 33 -7.074 -1.862 -7.565 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -7.855 0.513 -6.496 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -7.204 1.091 -8.017 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -8.660 -0.451 -9.280 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -9.241 -1.174 -7.793 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -10.873 0.400 -7.687 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -9.649 1.640 -7.501 1.00 0.00 H new ATOM 0 HE ARG A 33 -10.024 0.773 -10.297 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -11.105 2.983 -7.742 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -11.767 4.164 -8.877 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -10.877 2.301 -11.766 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -11.638 3.777 -11.162 1.00 0.00 H new ATOM 479 N ILE A 34 -4.864 0.360 -8.643 1.00 0.00 N ATOM 480 CA ILE A 34 -3.918 0.653 -9.706 1.00 0.00 C ATOM 481 C ILE A 34 -2.941 -0.515 -9.849 1.00 0.00 C ATOM 482 O ILE A 34 -2.692 -0.988 -10.957 1.00 0.00 O ATOM 483 CB ILE A 34 -3.235 2.000 -9.460 1.00 0.00 C ATOM 484 CG1 ILE A 34 -4.268 3.117 -9.299 1.00 0.00 C ATOM 485 CG2 ILE A 34 -2.221 2.310 -10.562 1.00 0.00 C ATOM 486 CD1 ILE A 34 -4.117 3.813 -7.945 1.00 0.00 C ATOM 0 H ILE A 34 -4.888 1.050 -7.892 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.436 0.755 -10.660 1.00 0.00 H new ATOM 0 HB ILE A 34 -2.682 1.937 -8.523 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.149 3.845 -10.101 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.273 2.704 -9.389 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.750 3.273 -10.363 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -1.459 1.531 -10.585 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.730 2.348 -11.525 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.863 4.603 -7.857 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.260 3.087 -7.145 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.120 4.246 -7.868 1.00 0.00 H new ATOM 498 N LEU A 35 -2.414 -0.947 -8.713 1.00 0.00 N ATOM 499 CA LEU A 35 -1.469 -2.051 -8.698 1.00 0.00 C ATOM 500 C LEU A 35 -2.092 -3.259 -9.402 1.00 0.00 C ATOM 501 O LEU A 35 -1.441 -3.909 -10.219 1.00 0.00 O ATOM 502 CB LEU A 35 -1.008 -2.343 -7.269 1.00 0.00 C ATOM 503 CG LEU A 35 -0.035 -1.332 -6.658 1.00 0.00 C ATOM 504 CD1 LEU A 35 0.231 -1.647 -5.185 1.00 0.00 C ATOM 505 CD2 LEU A 35 1.259 -1.258 -7.471 1.00 0.00 C ATOM 0 H LEU A 35 -2.623 -0.552 -7.796 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.567 -1.788 -9.251 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.889 -2.402 -6.629 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.537 -3.326 -7.254 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.498 -0.346 -6.697 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.925 -0.913 -4.776 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.706 -1.609 -4.630 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.664 -2.644 -5.098 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.934 -0.533 -7.016 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.736 -2.238 -7.485 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.030 -0.951 -8.491 1.00 0.00 H new ATOM 517 N ASP A 36 -3.344 -3.522 -9.060 1.00 0.00 N ATOM 518 CA ASP A 36 -4.061 -4.640 -9.649 1.00 0.00 C ATOM 519 C ASP A 36 -4.108 -4.467 -11.168 1.00 0.00 C ATOM 520 O ASP A 36 -3.732 -5.372 -11.911 1.00 0.00 O ATOM 521 CB ASP A 36 -5.501 -4.702 -9.136 1.00 0.00 C ATOM 522 CG ASP A 36 -6.124 -6.100 -9.124 1.00 0.00 C ATOM 523 OD1 ASP A 36 -5.635 -6.932 -8.330 1.00 0.00 O ATOM 524 OD2 ASP A 36 -7.075 -6.304 -9.909 1.00 0.00 O ATOM 0 H ASP A 36 -3.881 -2.980 -8.382 1.00 0.00 H new ATOM 0 HA ASP A 36 -3.540 -5.557 -9.374 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -5.527 -4.300 -8.123 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.119 -4.050 -9.754 1.00 0.00 H new ATOM 529 N GLY A 37 -4.573 -3.299 -11.585 1.00 0.00 N ATOM 530 CA GLY A 37 -4.673 -2.996 -13.002 1.00 0.00 C ATOM 531 C GLY A 37 -3.299 -3.050 -13.673 1.00 0.00 C ATOM 532 O GLY A 37 -3.176 -3.509 -14.808 1.00 0.00 O ATOM 0 H GLY A 37 -4.885 -2.551 -10.966 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.345 -3.707 -13.483 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -5.108 -2.006 -13.136 1.00 0.00 H new ATOM 536 N LYS A 38 -2.301 -2.575 -12.944 1.00 0.00 N ATOM 537 CA LYS A 38 -0.940 -2.563 -13.454 1.00 0.00 C ATOM 538 C LYS A 38 -0.371 -3.982 -13.409 1.00 0.00 C ATOM 539 O LYS A 38 0.753 -4.219 -13.849 1.00 0.00 O ATOM 540 CB LYS A 38 -0.093 -1.536 -12.699 1.00 0.00 C ATOM 541 CG LYS A 38 -0.661 -0.126 -12.870 1.00 0.00 C ATOM 542 CD LYS A 38 0.387 0.819 -13.462 1.00 0.00 C ATOM 543 CE LYS A 38 -0.248 2.142 -13.893 1.00 0.00 C ATOM 544 NZ LYS A 38 -0.285 2.243 -15.369 1.00 0.00 N ATOM 0 H LYS A 38 -2.407 -2.195 -12.003 1.00 0.00 H new ATOM 0 HA LYS A 38 -0.927 -2.247 -14.497 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.061 -1.793 -11.640 1.00 0.00 H new ATOM 0 HB3 LYS A 38 0.933 -1.566 -13.065 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.535 -0.159 -13.520 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.996 0.255 -11.905 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.168 1.009 -12.725 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.866 0.345 -14.319 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -1.259 2.214 -13.492 1.00 0.00 H new ATOM 0 HE3 LYS A 38 0.319 2.976 -13.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -0.719 3.147 -15.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 0.684 2.195 -15.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -0.846 1.458 -15.757 1.00 0.00 H new ATOM 558 N ARG A 39 -1.173 -4.890 -12.872 1.00 0.00 N ATOM 559 CA ARG A 39 -0.763 -6.280 -12.763 1.00 0.00 C ATOM 560 C ARG A 39 0.564 -6.385 -12.009 1.00 0.00 C ATOM 561 O ARG A 39 1.392 -7.240 -12.318 1.00 0.00 O ATOM 562 CB ARG A 39 -0.608 -6.918 -14.145 1.00 0.00 C ATOM 563 CG ARG A 39 -1.974 -7.229 -14.762 1.00 0.00 C ATOM 564 CD ARG A 39 -2.462 -8.617 -14.342 1.00 0.00 C ATOM 565 NE ARG A 39 -3.936 -8.689 -14.451 1.00 0.00 N ATOM 566 CZ ARG A 39 -4.661 -9.770 -14.131 1.00 0.00 C ATOM 567 NH1 ARG A 39 -4.053 -10.875 -13.680 1.00 0.00 N ATOM 568 NH2 ARG A 39 -5.994 -9.745 -14.263 1.00 0.00 N ATOM 0 H ARG A 39 -2.105 -4.690 -12.508 1.00 0.00 H new ATOM 0 HA ARG A 39 -1.540 -6.813 -12.214 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -0.054 -6.246 -14.800 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -0.025 -7.835 -14.063 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.698 -6.476 -14.451 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -1.907 -7.177 -15.849 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -2.005 -9.379 -14.973 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -2.154 -8.825 -13.317 1.00 0.00 H new ATOM 0 HE ARG A 39 -4.431 -7.865 -14.791 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -3.038 -10.894 -13.580 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -4.605 -11.697 -13.437 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -6.457 -8.904 -14.607 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -6.546 -10.567 -14.020 1.00 0.00 H new ATOM 582 N ILE A 40 0.725 -5.502 -11.034 1.00 0.00 N ATOM 583 CA ILE A 40 1.937 -5.485 -10.233 1.00 0.00 C ATOM 584 C ILE A 40 1.784 -6.459 -9.063 1.00 0.00 C ATOM 585 O ILE A 40 0.727 -6.522 -8.437 1.00 0.00 O ATOM 586 CB ILE A 40 2.275 -4.056 -9.803 1.00 0.00 C ATOM 587 CG1 ILE A 40 2.702 -3.209 -11.004 1.00 0.00 C ATOM 588 CG2 ILE A 40 3.329 -4.051 -8.694 1.00 0.00 C ATOM 589 CD1 ILE A 40 2.857 -1.738 -10.611 1.00 0.00 C ATOM 0 H ILE A 40 0.036 -4.793 -10.781 1.00 0.00 H new ATOM 0 HA ILE A 40 2.788 -5.826 -10.823 1.00 0.00 H new ATOM 0 HB ILE A 40 1.374 -3.601 -9.392 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.645 -3.584 -11.401 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.962 -3.301 -11.799 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.551 -3.023 -8.407 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.950 -4.595 -7.829 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.239 -4.531 -9.054 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.161 -1.159 -11.483 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.906 -1.359 -10.237 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.615 -1.647 -9.833 1.00 0.00 H new ATOM 601 N GLN A 41 2.856 -7.193 -8.802 1.00 0.00 N ATOM 602 CA GLN A 41 2.854 -8.161 -7.718 1.00 0.00 C ATOM 603 C GLN A 41 3.427 -7.533 -6.446 1.00 0.00 C ATOM 604 O GLN A 41 4.536 -7.001 -6.457 1.00 0.00 O ATOM 605 CB GLN A 41 3.631 -9.420 -8.106 1.00 0.00 C ATOM 606 CG GLN A 41 4.330 -10.030 -6.890 1.00 0.00 C ATOM 607 CD GLN A 41 4.982 -11.368 -7.245 1.00 0.00 C ATOM 608 OE1 GLN A 41 5.784 -11.474 -8.159 1.00 0.00 O ATOM 609 NE2 GLN A 41 4.595 -12.381 -6.475 1.00 0.00 N ATOM 0 H GLN A 41 3.732 -7.137 -9.322 1.00 0.00 H new ATOM 0 HA GLN A 41 1.823 -8.456 -7.522 1.00 0.00 H new ATOM 0 HB2 GLN A 41 2.951 -10.151 -8.543 1.00 0.00 H new ATOM 0 HB3 GLN A 41 4.369 -9.175 -8.869 1.00 0.00 H new ATOM 0 HG2 GLN A 41 5.087 -9.340 -6.518 1.00 0.00 H new ATOM 0 HG3 GLN A 41 3.608 -10.175 -6.086 1.00 0.00 H new ATOM 0 HE21 GLN A 41 3.920 -12.224 -5.727 1.00 0.00 H new ATOM 0 HE22 GLN A 41 4.973 -13.315 -6.633 1.00 0.00 H new ATOM 618 N TYR A 42 2.646 -7.617 -5.379 1.00 0.00 N ATOM 619 CA TYR A 42 3.062 -7.064 -4.101 1.00 0.00 C ATOM 620 C TYR A 42 2.478 -7.869 -2.939 1.00 0.00 C ATOM 621 O TYR A 42 1.844 -8.902 -3.151 1.00 0.00 O ATOM 622 CB TYR A 42 2.500 -5.642 -4.054 1.00 0.00 C ATOM 623 CG TYR A 42 0.971 -5.577 -4.025 1.00 0.00 C ATOM 624 CD1 TYR A 42 0.294 -5.809 -2.845 1.00 0.00 C ATOM 625 CD2 TYR A 42 0.271 -5.287 -5.178 1.00 0.00 C ATOM 626 CE1 TYR A 42 -1.145 -5.749 -2.818 1.00 0.00 C ATOM 627 CE2 TYR A 42 -1.168 -5.227 -5.150 1.00 0.00 C ATOM 628 CZ TYR A 42 -1.805 -5.461 -3.972 1.00 0.00 C ATOM 629 OH TYR A 42 -3.163 -5.404 -3.945 1.00 0.00 O ATOM 0 H TYR A 42 1.727 -8.060 -5.373 1.00 0.00 H new ATOM 0 HA TYR A 42 4.148 -7.088 -4.008 1.00 0.00 H new ATOM 0 HB2 TYR A 42 2.892 -5.137 -3.171 1.00 0.00 H new ATOM 0 HB3 TYR A 42 2.860 -5.091 -4.923 1.00 0.00 H new ATOM 0 HD1 TYR A 42 0.843 -6.035 -1.943 1.00 0.00 H new ATOM 0 HD2 TYR A 42 0.802 -5.105 -6.101 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -1.688 -5.929 -1.902 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -1.728 -5.001 -6.045 1.00 0.00 H new ATOM 0 HH TYR A 42 -3.499 -5.188 -4.840 1.00 0.00 H new ATOM 639 N GLN A 43 2.712 -7.366 -1.736 1.00 0.00 N ATOM 640 CA GLN A 43 2.217 -8.026 -0.540 1.00 0.00 C ATOM 641 C GLN A 43 1.550 -7.010 0.389 1.00 0.00 C ATOM 642 O GLN A 43 2.210 -6.112 0.910 1.00 0.00 O ATOM 643 CB GLN A 43 3.342 -8.771 0.181 1.00 0.00 C ATOM 644 CG GLN A 43 2.782 -9.884 1.069 1.00 0.00 C ATOM 645 CD GLN A 43 3.765 -10.241 2.186 1.00 0.00 C ATOM 646 OE1 GLN A 43 4.771 -9.584 2.397 1.00 0.00 O ATOM 647 NE2 GLN A 43 3.418 -11.316 2.888 1.00 0.00 N ATOM 0 H GLN A 43 3.238 -6.509 -1.564 1.00 0.00 H new ATOM 0 HA GLN A 43 1.471 -8.762 -0.838 1.00 0.00 H new ATOM 0 HB2 GLN A 43 4.029 -9.196 -0.551 1.00 0.00 H new ATOM 0 HB3 GLN A 43 3.916 -8.071 0.788 1.00 0.00 H new ATOM 0 HG2 GLN A 43 1.834 -9.566 1.502 1.00 0.00 H new ATOM 0 HG3 GLN A 43 2.576 -10.767 0.465 1.00 0.00 H new ATOM 0 HE21 GLN A 43 2.562 -11.820 2.658 1.00 0.00 H new ATOM 0 HE22 GLN A 43 4.008 -11.636 3.656 1.00 0.00 H new ATOM 656 N LEU A 44 0.249 -7.185 0.569 1.00 0.00 N ATOM 657 CA LEU A 44 -0.515 -6.295 1.427 1.00 0.00 C ATOM 658 C LEU A 44 -0.175 -6.587 2.890 1.00 0.00 C ATOM 659 O LEU A 44 -0.460 -7.673 3.392 1.00 0.00 O ATOM 660 CB LEU A 44 -2.008 -6.397 1.110 1.00 0.00 C ATOM 661 CG LEU A 44 -2.794 -5.085 1.155 1.00 0.00 C ATOM 662 CD1 LEU A 44 -3.459 -4.798 -0.194 1.00 0.00 C ATOM 663 CD2 LEU A 44 -3.806 -5.090 2.302 1.00 0.00 C ATOM 0 H LEU A 44 -0.296 -7.930 0.135 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.243 -5.257 1.238 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.119 -6.830 0.116 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.462 -7.094 1.814 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.092 -4.274 1.349 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.011 -3.860 -0.135 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.695 -4.721 -0.967 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.145 -5.608 -0.441 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.351 -4.146 2.311 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.508 -5.913 2.164 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.282 -5.215 3.249 1.00 0.00 H new ATOM 675 N VAL A 45 0.429 -5.598 3.532 1.00 0.00 N ATOM 676 CA VAL A 45 0.811 -5.735 4.928 1.00 0.00 C ATOM 677 C VAL A 45 -0.277 -5.121 5.812 1.00 0.00 C ATOM 678 O VAL A 45 -0.541 -3.922 5.735 1.00 0.00 O ATOM 679 CB VAL A 45 2.190 -5.113 5.157 1.00 0.00 C ATOM 680 CG1 VAL A 45 2.497 -4.997 6.651 1.00 0.00 C ATOM 681 CG2 VAL A 45 3.277 -5.909 4.433 1.00 0.00 C ATOM 0 H VAL A 45 0.663 -4.699 3.112 1.00 0.00 H new ATOM 0 HA VAL A 45 0.895 -6.787 5.200 1.00 0.00 H new ATOM 0 HB VAL A 45 2.178 -4.107 4.739 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.483 -4.552 6.786 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.746 -4.368 7.129 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.481 -5.988 7.104 1.00 0.00 H new ATOM 0 HG21 VAL A 45 4.247 -5.446 4.612 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.289 -6.933 4.807 1.00 0.00 H new ATOM 0 HG23 VAL A 45 3.071 -5.917 3.363 1.00 0.00 H new ATOM 691 N ASP A 46 -0.878 -5.971 6.632 1.00 0.00 N ATOM 692 CA ASP A 46 -1.930 -5.527 7.530 1.00 0.00 C ATOM 693 C ASP A 46 -1.308 -5.071 8.851 1.00 0.00 C ATOM 694 O ASP A 46 -0.778 -5.884 9.606 1.00 0.00 O ATOM 695 CB ASP A 46 -2.909 -6.662 7.835 1.00 0.00 C ATOM 696 CG ASP A 46 -4.026 -6.307 8.819 1.00 0.00 C ATOM 697 OD1 ASP A 46 -3.735 -5.522 9.748 1.00 0.00 O ATOM 698 OD2 ASP A 46 -5.144 -6.827 8.620 1.00 0.00 O ATOM 0 H ASP A 46 -0.656 -6.965 6.693 1.00 0.00 H new ATOM 0 HA ASP A 46 -2.465 -4.710 7.045 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -3.361 -6.993 6.900 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -2.349 -7.507 8.235 1.00 0.00 H new ATOM 703 N ILE A 47 -1.395 -3.770 9.091 1.00 0.00 N ATOM 704 CA ILE A 47 -0.847 -3.196 10.308 1.00 0.00 C ATOM 705 C ILE A 47 -1.898 -3.267 11.418 1.00 0.00 C ATOM 706 O ILE A 47 -1.569 -3.152 12.598 1.00 0.00 O ATOM 707 CB ILE A 47 -0.324 -1.782 10.046 1.00 0.00 C ATOM 708 CG1 ILE A 47 -1.476 -0.815 9.766 1.00 0.00 C ATOM 709 CG2 ILE A 47 0.711 -1.781 8.919 1.00 0.00 C ATOM 710 CD1 ILE A 47 -0.953 0.595 9.486 1.00 0.00 C ATOM 0 H ILE A 47 -1.837 -3.098 8.463 1.00 0.00 H new ATOM 0 HA ILE A 47 0.015 -3.772 10.646 1.00 0.00 H new ATOM 0 HB ILE A 47 0.180 -1.431 10.947 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.053 -1.169 8.912 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.153 -0.793 10.620 1.00 0.00 H new ATOM 0 HG21 ILE A 47 1.067 -0.764 8.753 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.551 -2.419 9.196 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.254 -2.159 8.005 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.792 1.262 9.290 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.397 0.955 10.352 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.296 0.573 8.616 1.00 0.00 H new ATOM 722 N SER A 48 -3.141 -3.455 11.001 1.00 0.00 N ATOM 723 CA SER A 48 -4.242 -3.543 11.945 1.00 0.00 C ATOM 724 C SER A 48 -4.124 -4.826 12.769 1.00 0.00 C ATOM 725 O SER A 48 -4.870 -5.024 13.727 1.00 0.00 O ATOM 726 CB SER A 48 -5.591 -3.497 11.224 1.00 0.00 C ATOM 727 OG SER A 48 -5.853 -4.699 10.505 1.00 0.00 O ATOM 0 H SER A 48 -3.410 -3.549 10.022 1.00 0.00 H new ATOM 0 HA SER A 48 -4.188 -2.684 12.613 1.00 0.00 H new ATOM 0 HB2 SER A 48 -6.385 -3.329 11.951 1.00 0.00 H new ATOM 0 HB3 SER A 48 -5.606 -2.652 10.535 1.00 0.00 H new ATOM 0 HG SER A 48 -5.085 -5.303 10.586 1.00 0.00 H new ATOM 733 N GLN A 49 -3.181 -5.666 12.366 1.00 0.00 N ATOM 734 CA GLN A 49 -2.956 -6.925 13.056 1.00 0.00 C ATOM 735 C GLN A 49 -2.167 -6.690 14.345 1.00 0.00 C ATOM 736 O GLN A 49 -2.564 -7.155 15.413 1.00 0.00 O ATOM 737 CB GLN A 49 -2.238 -7.926 12.148 1.00 0.00 C ATOM 738 CG GLN A 49 -3.125 -8.331 10.969 1.00 0.00 C ATOM 739 CD GLN A 49 -3.739 -9.714 11.196 1.00 0.00 C ATOM 740 OE1 GLN A 49 -3.965 -10.146 12.314 1.00 0.00 O ATOM 741 NE2 GLN A 49 -3.996 -10.383 10.075 1.00 0.00 N ATOM 0 H GLN A 49 -2.564 -5.499 11.571 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.924 -7.352 13.319 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -1.312 -7.487 11.777 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.963 -8.811 12.722 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.917 -7.595 10.835 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -2.537 -8.336 10.051 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -3.782 -9.963 9.170 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -4.407 -11.316 10.120 1.00 0.00 H new ATOM 750 N ASP A 50 -1.064 -5.969 14.204 1.00 0.00 N ATOM 751 CA ASP A 50 -0.216 -5.668 15.344 1.00 0.00 C ATOM 752 C ASP A 50 0.088 -4.168 15.366 1.00 0.00 C ATOM 753 O ASP A 50 0.002 -3.499 14.337 1.00 0.00 O ATOM 754 CB ASP A 50 1.114 -6.418 15.256 1.00 0.00 C ATOM 755 CG ASP A 50 1.608 -7.015 16.575 1.00 0.00 C ATOM 756 OD1 ASP A 50 1.666 -6.247 17.559 1.00 0.00 O ATOM 757 OD2 ASP A 50 1.918 -8.227 16.569 1.00 0.00 O ATOM 0 H ASP A 50 -0.738 -5.585 13.317 1.00 0.00 H new ATOM 0 HA ASP A 50 -0.744 -5.976 16.247 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.013 -7.221 14.526 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.874 -5.736 14.876 1.00 0.00 H new ATOM 762 N ASN A 51 0.436 -3.684 16.549 1.00 0.00 N ATOM 763 CA ASN A 51 0.753 -2.276 16.718 1.00 0.00 C ATOM 764 C ASN A 51 2.173 -2.014 16.212 1.00 0.00 C ATOM 765 O ASN A 51 2.431 -0.992 15.579 1.00 0.00 O ATOM 766 CB ASN A 51 0.694 -1.871 18.192 1.00 0.00 C ATOM 767 CG ASN A 51 -0.687 -1.319 18.554 1.00 0.00 C ATOM 768 OD1 ASN A 51 -1.347 -0.663 17.766 1.00 0.00 O ATOM 769 ND2 ASN A 51 -1.084 -1.621 19.786 1.00 0.00 N ATOM 0 H ASN A 51 0.505 -4.242 17.400 1.00 0.00 H new ATOM 0 HA ASN A 51 0.022 -1.696 16.155 1.00 0.00 H new ATOM 0 HB2 ASN A 51 0.921 -2.733 18.819 1.00 0.00 H new ATOM 0 HB3 ASN A 51 1.456 -1.119 18.397 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -1.991 -1.299 20.123 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -0.481 -2.175 20.395 1.00 0.00 H new ATOM 776 N ALA A 52 3.057 -2.954 16.512 1.00 0.00 N ATOM 777 CA ALA A 52 4.445 -2.837 16.096 1.00 0.00 C ATOM 778 C ALA A 52 4.501 -2.591 14.587 1.00 0.00 C ATOM 779 O ALA A 52 5.465 -2.017 14.083 1.00 0.00 O ATOM 780 CB ALA A 52 5.210 -4.096 16.510 1.00 0.00 C ATOM 0 H ALA A 52 2.839 -3.800 17.038 1.00 0.00 H new ATOM 0 HA ALA A 52 4.923 -1.989 16.587 1.00 0.00 H new ATOM 0 HB1 ALA A 52 6.251 -4.008 16.198 1.00 0.00 H new ATOM 0 HB2 ALA A 52 5.164 -4.210 17.593 1.00 0.00 H new ATOM 0 HB3 ALA A 52 4.761 -4.968 16.034 1.00 0.00 H new ATOM 786 N LEU A 53 3.455 -3.038 13.907 1.00 0.00 N ATOM 787 CA LEU A 53 3.373 -2.873 12.466 1.00 0.00 C ATOM 788 C LEU A 53 3.359 -1.381 12.127 1.00 0.00 C ATOM 789 O LEU A 53 4.339 -0.850 11.607 1.00 0.00 O ATOM 790 CB LEU A 53 2.175 -3.642 11.906 1.00 0.00 C ATOM 791 CG LEU A 53 2.437 -5.096 11.509 1.00 0.00 C ATOM 792 CD1 LEU A 53 3.416 -5.176 10.336 1.00 0.00 C ATOM 793 CD2 LEU A 53 2.913 -5.915 12.710 1.00 0.00 C ATOM 0 H LEU A 53 2.657 -3.514 14.328 1.00 0.00 H new ATOM 0 HA LEU A 53 4.251 -3.301 11.983 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.379 -3.627 12.650 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.803 -3.109 11.031 1.00 0.00 H new ATOM 0 HG LEU A 53 1.497 -5.533 11.174 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.585 -6.220 10.074 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.999 -4.649 9.478 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.362 -4.715 10.620 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.092 -6.945 12.400 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.837 -5.487 13.099 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.150 -5.898 13.488 1.00 0.00 H new ATOM 805 N ARG A 54 2.237 -0.747 12.437 1.00 0.00 N ATOM 806 CA ARG A 54 2.083 0.673 12.172 1.00 0.00 C ATOM 807 C ARG A 54 3.405 1.405 12.413 1.00 0.00 C ATOM 808 O ARG A 54 3.931 2.056 11.512 1.00 0.00 O ATOM 809 CB ARG A 54 0.999 1.285 13.062 1.00 0.00 C ATOM 810 CG ARG A 54 0.620 2.686 12.580 1.00 0.00 C ATOM 811 CD ARG A 54 -0.833 3.013 12.933 1.00 0.00 C ATOM 812 NE ARG A 54 -0.877 4.097 13.940 1.00 0.00 N ATOM 813 CZ ARG A 54 -0.671 3.913 15.251 1.00 0.00 C ATOM 814 NH1 ARG A 54 -0.406 2.687 15.722 1.00 0.00 N ATOM 815 NH2 ARG A 54 -0.731 4.955 16.091 1.00 0.00 N ATOM 0 H ARG A 54 1.427 -1.191 12.869 1.00 0.00 H new ATOM 0 HA ARG A 54 1.787 0.785 11.129 1.00 0.00 H new ATOM 0 HB2 ARG A 54 0.117 0.645 13.059 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.354 1.334 14.091 1.00 0.00 H new ATOM 0 HG2 ARG A 54 1.283 3.422 13.034 1.00 0.00 H new ATOM 0 HG3 ARG A 54 0.760 2.754 11.501 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -1.374 3.316 12.037 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -1.331 2.124 13.321 1.00 0.00 H new ATOM 0 HE ARG A 54 -1.077 5.043 13.616 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -0.361 1.894 15.082 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -0.249 2.547 16.720 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -0.934 5.888 15.732 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -0.574 4.815 17.089 1.00 0.00 H new ATOM 829 N ASP A 55 3.903 1.273 13.633 1.00 0.00 N ATOM 830 CA ASP A 55 5.153 1.914 14.004 1.00 0.00 C ATOM 831 C ASP A 55 6.233 1.544 12.985 1.00 0.00 C ATOM 832 O ASP A 55 6.860 2.421 12.394 1.00 0.00 O ATOM 833 CB ASP A 55 5.624 1.447 15.383 1.00 0.00 C ATOM 834 CG ASP A 55 6.539 2.426 16.120 1.00 0.00 C ATOM 835 OD1 ASP A 55 5.987 3.298 16.825 1.00 0.00 O ATOM 836 OD2 ASP A 55 7.771 2.281 15.962 1.00 0.00 O ATOM 0 H ASP A 55 3.464 0.732 14.378 1.00 0.00 H new ATOM 0 HA ASP A 55 4.986 2.991 14.026 1.00 0.00 H new ATOM 0 HB2 ASP A 55 4.749 1.254 16.003 1.00 0.00 H new ATOM 0 HB3 ASP A 55 6.149 0.498 15.269 1.00 0.00 H new ATOM 841 N GLU A 56 6.416 0.243 12.811 1.00 0.00 N ATOM 842 CA GLU A 56 7.409 -0.254 11.874 1.00 0.00 C ATOM 843 C GLU A 56 7.358 0.546 10.572 1.00 0.00 C ATOM 844 O GLU A 56 8.380 1.049 10.107 1.00 0.00 O ATOM 845 CB GLU A 56 7.212 -1.748 11.608 1.00 0.00 C ATOM 846 CG GLU A 56 8.360 -2.567 12.201 1.00 0.00 C ATOM 847 CD GLU A 56 9.524 -2.675 11.213 1.00 0.00 C ATOM 848 OE1 GLU A 56 9.293 -3.243 10.124 1.00 0.00 O ATOM 849 OE2 GLU A 56 10.618 -2.187 11.570 1.00 0.00 O ATOM 0 H GLU A 56 5.893 -0.482 13.303 1.00 0.00 H new ATOM 0 HA GLU A 56 8.396 -0.124 12.318 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.266 -2.076 12.039 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.151 -1.925 10.534 1.00 0.00 H new ATOM 0 HG2 GLU A 56 8.704 -2.102 13.125 1.00 0.00 H new ATOM 0 HG3 GLU A 56 8.004 -3.564 12.460 1.00 0.00 H new ATOM 856 N MET A 57 6.157 0.640 10.019 1.00 0.00 N ATOM 857 CA MET A 57 5.959 1.371 8.779 1.00 0.00 C ATOM 858 C MET A 57 6.391 2.832 8.929 1.00 0.00 C ATOM 859 O MET A 57 7.061 3.377 8.053 1.00 0.00 O ATOM 860 CB MET A 57 4.482 1.314 8.383 1.00 0.00 C ATOM 861 CG MET A 57 4.227 2.111 7.102 1.00 0.00 C ATOM 862 SD MET A 57 2.504 2.566 6.999 1.00 0.00 S ATOM 863 CE MET A 57 2.395 3.680 8.390 1.00 0.00 C ATOM 0 H MET A 57 5.311 0.222 10.407 1.00 0.00 H new ATOM 0 HA MET A 57 6.570 0.908 8.004 1.00 0.00 H new ATOM 0 HB2 MET A 57 4.181 0.277 8.236 1.00 0.00 H new ATOM 0 HB3 MET A 57 3.869 1.712 9.192 1.00 0.00 H new ATOM 0 HG2 MET A 57 4.849 3.006 7.091 1.00 0.00 H new ATOM 0 HG3 MET A 57 4.507 1.517 6.232 1.00 0.00 H new ATOM 0 HE1 MET A 57 1.684 4.475 8.165 1.00 0.00 H new ATOM 0 HE2 MET A 57 2.059 3.131 9.270 1.00 0.00 H new ATOM 0 HE3 MET A 57 3.375 4.115 8.586 1.00 0.00 H new ATOM 873 N ARG A 58 5.990 3.423 10.045 1.00 0.00 N ATOM 874 CA ARG A 58 6.327 4.809 10.320 1.00 0.00 C ATOM 875 C ARG A 58 7.845 4.998 10.308 1.00 0.00 C ATOM 876 O ARG A 58 8.349 5.962 9.733 1.00 0.00 O ATOM 877 CB ARG A 58 5.776 5.251 11.677 1.00 0.00 C ATOM 878 CG ARG A 58 4.287 5.590 11.581 1.00 0.00 C ATOM 879 CD ARG A 58 3.627 5.559 12.961 1.00 0.00 C ATOM 880 NE ARG A 58 2.254 6.106 12.877 1.00 0.00 N ATOM 881 CZ ARG A 58 1.522 6.462 13.941 1.00 0.00 C ATOM 882 NH1 ARG A 58 2.026 6.331 15.176 1.00 0.00 N ATOM 883 NH2 ARG A 58 0.285 6.949 13.771 1.00 0.00 N ATOM 0 H ARG A 58 5.435 2.967 10.769 1.00 0.00 H new ATOM 0 HA ARG A 58 5.875 5.421 9.540 1.00 0.00 H new ATOM 0 HB2 ARG A 58 5.925 4.458 12.410 1.00 0.00 H new ATOM 0 HB3 ARG A 58 6.328 6.121 12.032 1.00 0.00 H new ATOM 0 HG2 ARG A 58 4.163 6.578 11.137 1.00 0.00 H new ATOM 0 HG3 ARG A 58 3.790 4.879 10.921 1.00 0.00 H new ATOM 0 HD2 ARG A 58 3.598 4.536 13.336 1.00 0.00 H new ATOM 0 HD3 ARG A 58 4.217 6.141 13.669 1.00 0.00 H new ATOM 0 HE ARG A 58 1.840 6.219 11.952 1.00 0.00 H new ATOM 0 HH11 ARG A 58 2.967 5.960 15.306 1.00 0.00 H new ATOM 0 HH12 ARG A 58 1.468 6.602 15.986 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -0.099 7.049 12.831 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -0.272 7.220 14.581 1.00 0.00 H new ATOM 897 N THR A 59 8.531 4.063 10.948 1.00 0.00 N ATOM 898 CA THR A 59 9.982 4.115 11.018 1.00 0.00 C ATOM 899 C THR A 59 10.589 3.956 9.623 1.00 0.00 C ATOM 900 O THR A 59 11.432 4.753 9.214 1.00 0.00 O ATOM 901 CB THR A 59 10.446 3.045 12.008 1.00 0.00 C ATOM 902 OG1 THR A 59 10.214 3.631 13.286 1.00 0.00 O ATOM 903 CG2 THR A 59 11.960 2.828 11.968 1.00 0.00 C ATOM 0 H THR A 59 8.109 3.265 11.423 1.00 0.00 H new ATOM 0 HA THR A 59 10.326 5.084 11.379 1.00 0.00 H new ATOM 0 HB THR A 59 9.938 2.105 11.791 1.00 0.00 H new ATOM 0 HG1 THR A 59 10.486 3.003 13.988 1.00 0.00 H new ATOM 0 HG21 THR A 59 12.237 2.059 12.689 1.00 0.00 H new ATOM 0 HG22 THR A 59 12.256 2.511 10.968 1.00 0.00 H new ATOM 0 HG23 THR A 59 12.468 3.759 12.218 1.00 0.00 H new ATOM 911 N LEU A 60 10.136 2.922 8.929 1.00 0.00 N ATOM 912 CA LEU A 60 10.624 2.648 7.588 1.00 0.00 C ATOM 913 C LEU A 60 10.484 3.909 6.732 1.00 0.00 C ATOM 914 O LEU A 60 11.460 4.382 6.153 1.00 0.00 O ATOM 915 CB LEU A 60 9.919 1.424 7.001 1.00 0.00 C ATOM 916 CG LEU A 60 10.280 0.077 7.630 1.00 0.00 C ATOM 917 CD1 LEU A 60 9.150 -0.938 7.438 1.00 0.00 C ATOM 918 CD2 LEU A 60 11.613 -0.442 7.089 1.00 0.00 C ATOM 0 H LEU A 60 9.436 2.264 9.271 1.00 0.00 H new ATOM 0 HA LEU A 60 11.684 2.395 7.612 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.843 1.570 7.095 1.00 0.00 H new ATOM 0 HB3 LEU A 60 10.143 1.377 5.935 1.00 0.00 H new ATOM 0 HG LEU A 60 10.403 0.224 8.703 1.00 0.00 H new ATOM 0 HD11 LEU A 60 9.432 -1.887 7.894 1.00 0.00 H new ATOM 0 HD12 LEU A 60 8.241 -0.564 7.910 1.00 0.00 H new ATOM 0 HD13 LEU A 60 8.971 -1.086 6.373 1.00 0.00 H new ATOM 0 HD21 LEU A 60 11.845 -1.401 7.553 1.00 0.00 H new ATOM 0 HD22 LEU A 60 11.543 -0.569 6.009 1.00 0.00 H new ATOM 0 HD23 LEU A 60 12.402 0.273 7.319 1.00 0.00 H new ATOM 930 N ALA A 61 9.261 4.416 6.680 1.00 0.00 N ATOM 931 CA ALA A 61 8.980 5.612 5.904 1.00 0.00 C ATOM 932 C ALA A 61 9.903 6.742 6.365 1.00 0.00 C ATOM 933 O ALA A 61 10.561 7.384 5.548 1.00 0.00 O ATOM 934 CB ALA A 61 7.500 5.975 6.042 1.00 0.00 C ATOM 0 H ALA A 61 8.454 4.021 7.162 1.00 0.00 H new ATOM 0 HA ALA A 61 9.175 5.437 4.846 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.290 6.872 5.460 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.888 5.152 5.674 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.267 6.160 7.091 1.00 0.00 H new ATOM 940 N GLY A 62 9.921 6.952 7.673 1.00 0.00 N ATOM 941 CA GLY A 62 10.752 7.993 8.253 1.00 0.00 C ATOM 942 C GLY A 62 9.894 9.098 8.872 1.00 0.00 C ATOM 943 O GLY A 62 10.229 10.278 8.775 1.00 0.00 O ATOM 0 H GLY A 62 9.373 6.419 8.348 1.00 0.00 H new ATOM 0 HA2 GLY A 62 11.402 7.562 9.015 1.00 0.00 H new ATOM 0 HA3 GLY A 62 11.399 8.417 7.485 1.00 0.00 H new ATOM 947 N ASN A 63 8.803 8.677 9.495 1.00 0.00 N ATOM 948 CA ASN A 63 7.894 9.616 10.130 1.00 0.00 C ATOM 949 C ASN A 63 6.966 8.858 11.081 1.00 0.00 C ATOM 950 O ASN A 63 6.332 7.880 10.687 1.00 0.00 O ATOM 951 CB ASN A 63 7.026 10.331 9.092 1.00 0.00 C ATOM 952 CG ASN A 63 6.786 11.789 9.489 1.00 0.00 C ATOM 953 OD1 ASN A 63 7.700 12.531 9.810 1.00 0.00 O ATOM 954 ND2 ASN A 63 5.508 12.156 9.449 1.00 0.00 N ATOM 0 H ASN A 63 8.528 7.698 9.574 1.00 0.00 H new ATOM 0 HA ASN A 63 8.492 10.352 10.668 1.00 0.00 H new ATOM 0 HB2 ASN A 63 7.512 10.291 8.117 1.00 0.00 H new ATOM 0 HB3 ASN A 63 6.071 9.815 8.994 1.00 0.00 H new ATOM 0 HD21 ASN A 63 5.243 13.110 9.696 1.00 0.00 H new ATOM 0 HD22 ASN A 63 4.793 11.484 9.171 1.00 0.00 H new ATOM 961 N PRO A 64 6.913 9.350 12.347 1.00 0.00 N ATOM 962 CA PRO A 64 6.073 8.730 13.357 1.00 0.00 C ATOM 963 C PRO A 64 4.598 9.068 13.127 1.00 0.00 C ATOM 964 O PRO A 64 3.718 8.272 13.450 1.00 0.00 O ATOM 965 CB PRO A 64 6.602 9.250 14.684 1.00 0.00 C ATOM 966 CG PRO A 64 7.409 10.495 14.351 1.00 0.00 C ATOM 967 CD PRO A 64 7.649 10.507 12.850 1.00 0.00 C ATOM 0 HA PRO A 64 6.114 7.641 13.327 1.00 0.00 H new ATOM 0 HB2 PRO A 64 5.784 9.485 15.365 1.00 0.00 H new ATOM 0 HB3 PRO A 64 7.223 8.502 15.177 1.00 0.00 H new ATOM 0 HG2 PRO A 64 6.872 11.392 14.659 1.00 0.00 H new ATOM 0 HG3 PRO A 64 8.357 10.491 14.889 1.00 0.00 H new ATOM 0 HD2 PRO A 64 7.289 11.432 12.399 1.00 0.00 H new ATOM 0 HD3 PRO A 64 8.711 10.432 12.618 1.00 0.00 H new ATOM 975 N LYS A 65 4.375 10.250 12.572 1.00 0.00 N ATOM 976 CA LYS A 65 3.023 10.703 12.295 1.00 0.00 C ATOM 977 C LYS A 65 2.654 10.345 10.853 1.00 0.00 C ATOM 978 O LYS A 65 2.040 11.144 10.149 1.00 0.00 O ATOM 979 CB LYS A 65 2.881 12.193 12.613 1.00 0.00 C ATOM 980 CG LYS A 65 2.435 12.403 14.062 1.00 0.00 C ATOM 981 CD LYS A 65 1.083 13.118 14.121 1.00 0.00 C ATOM 982 CE LYS A 65 1.010 14.053 15.329 1.00 0.00 C ATOM 983 NZ LYS A 65 -0.179 14.929 15.234 1.00 0.00 N ATOM 0 H LYS A 65 5.108 10.908 12.307 1.00 0.00 H new ATOM 0 HA LYS A 65 2.311 10.192 12.943 1.00 0.00 H new ATOM 0 HB2 LYS A 65 3.833 12.697 12.445 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.156 12.646 11.936 1.00 0.00 H new ATOM 0 HG2 LYS A 65 2.364 11.440 14.568 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.184 12.988 14.596 1.00 0.00 H new ATOM 0 HD2 LYS A 65 0.929 13.689 13.205 1.00 0.00 H new ATOM 0 HD3 LYS A 65 0.281 12.382 14.177 1.00 0.00 H new ATOM 0 HE2 LYS A 65 0.966 13.468 16.247 1.00 0.00 H new ATOM 0 HE3 LYS A 65 1.914 14.660 15.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -0.214 15.558 16.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -0.121 15.501 14.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -1.039 14.345 15.206 1.00 0.00 H new ATOM 997 N ALA A 66 3.045 9.142 10.458 1.00 0.00 N ATOM 998 CA ALA A 66 2.764 8.668 9.113 1.00 0.00 C ATOM 999 C ALA A 66 1.507 7.796 9.138 1.00 0.00 C ATOM 1000 O ALA A 66 1.069 7.361 10.202 1.00 0.00 O ATOM 1001 CB ALA A 66 3.983 7.920 8.570 1.00 0.00 C ATOM 0 H ALA A 66 3.554 8.481 11.045 1.00 0.00 H new ATOM 0 HA ALA A 66 2.571 9.505 8.442 1.00 0.00 H new ATOM 0 HB1 ALA A 66 3.772 7.565 7.561 1.00 0.00 H new ATOM 0 HB2 ALA A 66 4.841 8.592 8.546 1.00 0.00 H new ATOM 0 HB3 ALA A 66 4.205 7.070 9.215 1.00 0.00 H new ATOM 1007 N THR A 67 0.963 7.565 7.952 1.00 0.00 N ATOM 1008 CA THR A 67 -0.234 6.752 7.823 1.00 0.00 C ATOM 1009 C THR A 67 -0.247 6.031 6.474 1.00 0.00 C ATOM 1010 O THR A 67 0.460 6.426 5.548 1.00 0.00 O ATOM 1011 CB THR A 67 -1.447 7.659 8.040 1.00 0.00 C ATOM 1012 OG1 THR A 67 -1.219 8.759 7.163 1.00 0.00 O ATOM 1013 CG2 THR A 67 -1.465 8.291 9.433 1.00 0.00 C ATOM 0 H THR A 67 1.330 7.927 7.072 1.00 0.00 H new ATOM 0 HA THR A 67 -0.260 5.964 8.576 1.00 0.00 H new ATOM 0 HB THR A 67 -2.361 7.084 7.891 1.00 0.00 H new ATOM 0 HG1 THR A 67 -1.960 9.396 7.238 1.00 0.00 H new ATOM 0 HG21 THR A 67 -2.346 8.925 9.534 1.00 0.00 H new ATOM 0 HG22 THR A 67 -1.494 7.506 10.188 1.00 0.00 H new ATOM 0 HG23 THR A 67 -0.567 8.894 9.571 1.00 0.00 H new ATOM 1021 N PRO A 68 -1.081 4.959 6.403 1.00 0.00 N ATOM 1022 CA PRO A 68 -1.196 4.180 5.182 1.00 0.00 C ATOM 1023 C PRO A 68 -2.013 4.929 4.128 1.00 0.00 C ATOM 1024 O PRO A 68 -2.673 5.920 4.437 1.00 0.00 O ATOM 1025 CB PRO A 68 -1.837 2.870 5.610 1.00 0.00 C ATOM 1026 CG PRO A 68 -2.480 3.142 6.960 1.00 0.00 C ATOM 1027 CD PRO A 68 -1.933 4.462 7.479 1.00 0.00 C ATOM 0 HA PRO A 68 -0.232 4.000 4.706 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -2.580 2.543 4.883 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -1.093 2.077 5.685 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -3.565 3.190 6.864 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -2.257 2.335 7.658 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -2.737 5.163 7.703 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -1.367 4.321 8.400 1.00 0.00 H new ATOM 1035 N PRO A 69 -1.941 4.414 2.871 1.00 0.00 N ATOM 1036 CA PRO A 69 -1.136 3.237 2.590 1.00 0.00 C ATOM 1037 C PRO A 69 0.354 3.584 2.571 1.00 0.00 C ATOM 1038 O PRO A 69 0.730 4.734 2.789 1.00 0.00 O ATOM 1039 CB PRO A 69 -1.644 2.724 1.253 1.00 0.00 C ATOM 1040 CG PRO A 69 -2.388 3.886 0.615 1.00 0.00 C ATOM 1041 CD PRO A 69 -2.621 4.935 1.690 1.00 0.00 C ATOM 0 HA PRO A 69 -1.230 2.469 3.358 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -0.818 2.395 0.622 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -2.303 1.866 1.389 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -1.809 4.305 -0.208 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -3.337 3.549 0.198 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -2.215 5.902 1.394 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -3.685 5.080 1.878 1.00 0.00 H new ATOM 1049 N GLN A 70 1.162 2.567 2.307 1.00 0.00 N ATOM 1050 CA GLN A 70 2.602 2.750 2.256 1.00 0.00 C ATOM 1051 C GLN A 70 3.240 1.692 1.354 1.00 0.00 C ATOM 1052 O GLN A 70 3.212 0.503 1.670 1.00 0.00 O ATOM 1053 CB GLN A 70 3.210 2.712 3.660 1.00 0.00 C ATOM 1054 CG GLN A 70 4.130 3.913 3.892 1.00 0.00 C ATOM 1055 CD GLN A 70 3.431 4.985 4.730 1.00 0.00 C ATOM 1056 OE1 GLN A 70 3.475 4.983 5.950 1.00 0.00 O ATOM 1057 NE2 GLN A 70 2.786 5.899 4.011 1.00 0.00 N ATOM 0 H GLN A 70 0.846 1.614 2.126 1.00 0.00 H new ATOM 0 HA GLN A 70 2.809 3.733 1.833 1.00 0.00 H new ATOM 0 HB2 GLN A 70 2.414 2.710 4.405 1.00 0.00 H new ATOM 0 HB3 GLN A 70 3.772 1.788 3.792 1.00 0.00 H new ATOM 0 HG2 GLN A 70 5.039 3.587 4.397 1.00 0.00 H new ATOM 0 HG3 GLN A 70 4.432 4.335 2.933 1.00 0.00 H new ATOM 0 HE21 GLN A 70 2.789 5.842 2.993 1.00 0.00 H new ATOM 0 HE22 GLN A 70 2.288 6.657 4.478 1.00 0.00 H new ATOM 1066 N ILE A 71 3.800 2.162 0.249 1.00 0.00 N ATOM 1067 CA ILE A 71 4.444 1.271 -0.701 1.00 0.00 C ATOM 1068 C ILE A 71 5.912 1.088 -0.308 1.00 0.00 C ATOM 1069 O ILE A 71 6.615 2.063 -0.050 1.00 0.00 O ATOM 1070 CB ILE A 71 4.249 1.780 -2.130 1.00 0.00 C ATOM 1071 CG1 ILE A 71 2.765 1.983 -2.442 1.00 0.00 C ATOM 1072 CG2 ILE A 71 4.925 0.851 -3.141 1.00 0.00 C ATOM 1073 CD1 ILE A 71 2.401 3.470 -2.434 1.00 0.00 C ATOM 0 H ILE A 71 3.821 3.148 -0.010 1.00 0.00 H new ATOM 0 HA ILE A 71 3.981 0.285 -0.673 1.00 0.00 H new ATOM 0 HB ILE A 71 4.732 2.753 -2.214 1.00 0.00 H new ATOM 0 HG12 ILE A 71 2.533 1.553 -3.416 1.00 0.00 H new ATOM 0 HG13 ILE A 71 2.159 1.453 -1.707 1.00 0.00 H new ATOM 0 HG21 ILE A 71 4.771 1.236 -4.149 1.00 0.00 H new ATOM 0 HG22 ILE A 71 5.993 0.801 -2.931 1.00 0.00 H new ATOM 0 HG23 ILE A 71 4.493 -0.147 -3.064 1.00 0.00 H new ATOM 0 HD11 ILE A 71 1.341 3.586 -2.659 1.00 0.00 H new ATOM 0 HD12 ILE A 71 2.612 3.891 -1.451 1.00 0.00 H new ATOM 0 HD13 ILE A 71 2.991 3.993 -3.187 1.00 0.00 H new ATOM 1085 N VAL A 72 6.330 -0.169 -0.276 1.00 0.00 N ATOM 1086 CA VAL A 72 7.701 -0.492 0.081 1.00 0.00 C ATOM 1087 C VAL A 72 8.247 -1.531 -0.900 1.00 0.00 C ATOM 1088 O VAL A 72 7.531 -2.447 -1.303 1.00 0.00 O ATOM 1089 CB VAL A 72 7.768 -0.952 1.538 1.00 0.00 C ATOM 1090 CG1 VAL A 72 9.213 -0.971 2.042 1.00 0.00 C ATOM 1091 CG2 VAL A 72 6.887 -0.076 2.431 1.00 0.00 C ATOM 0 H VAL A 72 5.744 -0.975 -0.491 1.00 0.00 H new ATOM 0 HA VAL A 72 8.334 0.392 0.004 1.00 0.00 H new ATOM 0 HB VAL A 72 7.384 -1.971 1.585 1.00 0.00 H new ATOM 0 HG11 VAL A 72 9.232 -1.302 3.080 1.00 0.00 H new ATOM 0 HG12 VAL A 72 9.802 -1.656 1.432 1.00 0.00 H new ATOM 0 HG13 VAL A 72 9.636 0.031 1.973 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.953 -0.425 3.462 1.00 0.00 H new ATOM 0 HG22 VAL A 72 7.227 0.958 2.375 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.852 -0.136 2.093 1.00 0.00 H new ATOM 1101 N ASN A 73 9.511 -1.355 -1.257 1.00 0.00 N ATOM 1102 CA ASN A 73 10.161 -2.266 -2.183 1.00 0.00 C ATOM 1103 C ASN A 73 11.315 -2.975 -1.469 1.00 0.00 C ATOM 1104 O ASN A 73 12.358 -2.373 -1.221 1.00 0.00 O ATOM 1105 CB ASN A 73 10.739 -1.513 -3.383 1.00 0.00 C ATOM 1106 CG ASN A 73 10.982 -2.460 -4.559 1.00 0.00 C ATOM 1107 OD1 ASN A 73 11.844 -3.323 -4.527 1.00 0.00 O ATOM 1108 ND2 ASN A 73 10.177 -2.251 -5.597 1.00 0.00 N ATOM 0 H ASN A 73 10.102 -0.595 -0.921 1.00 0.00 H new ATOM 0 HA ASN A 73 9.416 -2.981 -2.531 1.00 0.00 H new ATOM 0 HB2 ASN A 73 10.053 -0.721 -3.685 1.00 0.00 H new ATOM 0 HB3 ASN A 73 11.675 -1.033 -3.099 1.00 0.00 H new ATOM 0 HD21 ASN A 73 10.260 -2.831 -6.432 1.00 0.00 H new ATOM 0 HD22 ASN A 73 9.476 -1.511 -5.558 1.00 0.00 H new ATOM 1115 N GLY A 74 11.088 -4.243 -1.161 1.00 0.00 N ATOM 1116 CA GLY A 74 12.095 -5.039 -0.481 1.00 0.00 C ATOM 1117 C GLY A 74 12.529 -4.375 0.827 1.00 0.00 C ATOM 1118 O GLY A 74 11.988 -4.676 1.890 1.00 0.00 O ATOM 0 H GLY A 74 10.221 -4.739 -1.370 1.00 0.00 H new ATOM 0 HA2 GLY A 74 11.699 -6.033 -0.274 1.00 0.00 H new ATOM 0 HA3 GLY A 74 12.960 -5.170 -1.131 1.00 0.00 H new ATOM 1122 N ASN A 75 13.501 -3.482 0.707 1.00 0.00 N ATOM 1123 CA ASN A 75 14.013 -2.773 1.866 1.00 0.00 C ATOM 1124 C ASN A 75 14.086 -1.277 1.552 1.00 0.00 C ATOM 1125 O ASN A 75 14.800 -0.532 2.222 1.00 0.00 O ATOM 1126 CB ASN A 75 15.422 -3.249 2.226 1.00 0.00 C ATOM 1127 CG ASN A 75 15.490 -3.709 3.684 1.00 0.00 C ATOM 1128 OD1 ASN A 75 14.511 -3.696 4.412 1.00 0.00 O ATOM 1129 ND2 ASN A 75 16.697 -4.114 4.068 1.00 0.00 N ATOM 0 H ASN A 75 13.947 -3.234 -0.176 1.00 0.00 H new ATOM 0 HA ASN A 75 13.342 -2.967 2.703 1.00 0.00 H new ATOM 0 HB2 ASN A 75 15.712 -4.069 1.569 1.00 0.00 H new ATOM 0 HB3 ASN A 75 16.135 -2.441 2.062 1.00 0.00 H new ATOM 0 HD21 ASN A 75 16.846 -4.439 5.023 1.00 0.00 H new ATOM 0 HD22 ASN A 75 17.474 -4.099 3.407 1.00 0.00 H new ATOM 1136 N HIS A 76 13.338 -0.882 0.532 1.00 0.00 N ATOM 1137 CA HIS A 76 13.309 0.512 0.121 1.00 0.00 C ATOM 1138 C HIS A 76 11.924 1.099 0.398 1.00 0.00 C ATOM 1139 O HIS A 76 10.942 0.365 0.493 1.00 0.00 O ATOM 1140 CB HIS A 76 13.733 0.655 -1.342 1.00 0.00 C ATOM 1141 CG HIS A 76 15.121 0.138 -1.633 1.00 0.00 C ATOM 1142 ND1 HIS A 76 16.268 0.805 -1.238 1.00 0.00 N ATOM 1143 CD2 HIS A 76 15.535 -0.988 -2.282 1.00 0.00 C ATOM 1144 CE1 HIS A 76 17.319 0.103 -1.638 1.00 0.00 C ATOM 1145 NE2 HIS A 76 16.862 -1.007 -2.285 1.00 0.00 N ATOM 0 H HIS A 76 12.748 -1.502 -0.022 1.00 0.00 H new ATOM 0 HA HIS A 76 14.031 1.083 0.705 1.00 0.00 H new ATOM 0 HB2 HIS A 76 13.019 0.122 -1.970 1.00 0.00 H new ATOM 0 HB3 HIS A 76 13.682 1.707 -1.623 1.00 0.00 H new ATOM 0 HD2 HIS A 76 14.892 -1.737 -2.719 1.00 0.00 H new ATOM 0 HE1 HIS A 76 18.355 0.364 -1.479 1.00 0.00 H new ATOM 0 HE2 HIS A 76 17.444 -1.733 -2.703 1.00 0.00 H new ATOM 1153 N TYR A 77 11.890 2.418 0.519 1.00 0.00 N ATOM 1154 CA TYR A 77 10.641 3.114 0.782 1.00 0.00 C ATOM 1155 C TYR A 77 10.254 4.010 -0.395 1.00 0.00 C ATOM 1156 O TYR A 77 10.882 5.042 -0.628 1.00 0.00 O ATOM 1157 CB TYR A 77 10.897 3.988 2.011 1.00 0.00 C ATOM 1158 CG TYR A 77 9.776 4.985 2.310 1.00 0.00 C ATOM 1159 CD1 TYR A 77 8.466 4.554 2.368 1.00 0.00 C ATOM 1160 CD2 TYR A 77 10.074 6.316 2.520 1.00 0.00 C ATOM 1161 CE1 TYR A 77 7.410 5.493 2.648 1.00 0.00 C ATOM 1162 CE2 TYR A 77 9.019 7.255 2.801 1.00 0.00 C ATOM 1163 CZ TYR A 77 7.739 6.797 2.851 1.00 0.00 C ATOM 1164 OH TYR A 77 6.742 7.683 3.116 1.00 0.00 O ATOM 0 H TYR A 77 12.707 3.023 0.440 1.00 0.00 H new ATOM 0 HA TYR A 77 9.830 2.402 0.936 1.00 0.00 H new ATOM 0 HB2 TYR A 77 11.038 3.344 2.879 1.00 0.00 H new ATOM 0 HB3 TYR A 77 11.828 4.536 1.867 1.00 0.00 H new ATOM 0 HD1 TYR A 77 8.233 3.512 2.203 1.00 0.00 H new ATOM 0 HD2 TYR A 77 11.099 6.654 2.474 1.00 0.00 H new ATOM 0 HE1 TYR A 77 6.381 5.169 2.696 1.00 0.00 H new ATOM 0 HE2 TYR A 77 9.239 8.299 2.968 1.00 0.00 H new ATOM 0 HH TYR A 77 7.123 8.577 3.240 1.00 0.00 H new ATOM 1174 N CYS A 78 9.221 3.585 -1.107 1.00 0.00 N ATOM 1175 CA CYS A 78 8.742 4.336 -2.255 1.00 0.00 C ATOM 1176 C CYS A 78 8.173 5.666 -1.755 1.00 0.00 C ATOM 1177 O CYS A 78 8.751 6.724 -2.001 1.00 0.00 O ATOM 1178 CB CYS A 78 7.713 3.542 -3.062 1.00 0.00 C ATOM 1179 SG CYS A 78 8.368 1.877 -3.445 1.00 0.00 S ATOM 0 H CYS A 78 8.702 2.729 -0.911 1.00 0.00 H new ATOM 0 HA CYS A 78 9.570 4.529 -2.937 1.00 0.00 H new ATOM 0 HB2 CYS A 78 6.784 3.456 -2.498 1.00 0.00 H new ATOM 0 HB3 CYS A 78 7.477 4.070 -3.986 1.00 0.00 H new ATOM 0 HG CYS A 78 8.229 1.107 -2.407 1.00 0.00 H new ATOM 1185 N GLY A 79 7.048 5.568 -1.063 1.00 0.00 N ATOM 1186 CA GLY A 79 6.394 6.750 -0.527 1.00 0.00 C ATOM 1187 C GLY A 79 4.976 6.424 -0.052 1.00 0.00 C ATOM 1188 O GLY A 79 4.690 5.289 0.326 1.00 0.00 O ATOM 0 H GLY A 79 6.572 4.689 -0.861 1.00 0.00 H new ATOM 0 HA2 GLY A 79 6.977 7.148 0.304 1.00 0.00 H new ATOM 0 HA3 GLY A 79 6.356 7.527 -1.291 1.00 0.00 H new ATOM 1192 N ASP A 80 4.127 7.441 -0.087 1.00 0.00 N ATOM 1193 CA ASP A 80 2.746 7.277 0.334 1.00 0.00 C ATOM 1194 C ASP A 80 1.833 7.338 -0.891 1.00 0.00 C ATOM 1195 O ASP A 80 2.299 7.566 -2.007 1.00 0.00 O ATOM 1196 CB ASP A 80 2.327 8.393 1.292 1.00 0.00 C ATOM 1197 CG ASP A 80 2.130 9.764 0.642 1.00 0.00 C ATOM 1198 OD1 ASP A 80 3.063 10.193 -0.071 1.00 0.00 O ATOM 1199 OD2 ASP A 80 1.051 10.352 0.872 1.00 0.00 O ATOM 0 H ASP A 80 4.369 8.381 -0.400 1.00 0.00 H new ATOM 0 HA ASP A 80 2.660 6.315 0.840 1.00 0.00 H new ATOM 0 HB2 ASP A 80 1.397 8.102 1.780 1.00 0.00 H new ATOM 0 HB3 ASP A 80 3.082 8.483 2.073 1.00 0.00 H new ATOM 1204 N TYR A 81 0.548 7.130 -0.643 1.00 0.00 N ATOM 1205 CA TYR A 81 -0.435 7.159 -1.713 1.00 0.00 C ATOM 1206 C TYR A 81 -0.232 8.380 -2.611 1.00 0.00 C ATOM 1207 O TYR A 81 -0.404 8.297 -3.827 1.00 0.00 O ATOM 1208 CB TYR A 81 -1.800 7.265 -1.028 1.00 0.00 C ATOM 1209 CG TYR A 81 -2.943 7.637 -1.975 1.00 0.00 C ATOM 1210 CD1 TYR A 81 -3.152 8.957 -2.320 1.00 0.00 C ATOM 1211 CD2 TYR A 81 -3.766 6.652 -2.483 1.00 0.00 C ATOM 1212 CE1 TYR A 81 -4.228 9.307 -3.211 1.00 0.00 C ATOM 1213 CE2 TYR A 81 -4.842 7.002 -3.374 1.00 0.00 C ATOM 1214 CZ TYR A 81 -5.020 8.312 -3.694 1.00 0.00 C ATOM 1215 OH TYR A 81 -6.036 8.642 -4.535 1.00 0.00 O ATOM 0 H TYR A 81 0.165 6.941 0.283 1.00 0.00 H new ATOM 0 HA TYR A 81 -0.349 6.270 -2.338 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -2.031 6.312 -0.552 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -1.741 8.011 -0.236 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -2.509 9.728 -1.922 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -3.603 5.619 -2.212 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -4.402 10.336 -3.489 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -5.493 6.241 -3.779 1.00 0.00 H new ATOM 0 HH TYR A 81 -6.288 7.859 -5.067 1.00 0.00 H new ATOM 1225 N GLU A 82 0.131 9.487 -1.979 1.00 0.00 N ATOM 1226 CA GLU A 82 0.359 10.724 -2.707 1.00 0.00 C ATOM 1227 C GLU A 82 1.452 10.527 -3.758 1.00 0.00 C ATOM 1228 O GLU A 82 1.209 10.699 -4.952 1.00 0.00 O ATOM 1229 CB GLU A 82 0.716 11.864 -1.751 1.00 0.00 C ATOM 1230 CG GLU A 82 -0.527 12.379 -1.023 1.00 0.00 C ATOM 1231 CD GLU A 82 -0.323 13.816 -0.539 1.00 0.00 C ATOM 1232 OE1 GLU A 82 0.340 13.973 0.509 1.00 0.00 O ATOM 1233 OE2 GLU A 82 -0.834 14.725 -1.228 1.00 0.00 O ATOM 0 H GLU A 82 0.273 9.553 -0.971 1.00 0.00 H new ATOM 0 HA GLU A 82 -0.564 10.998 -3.218 1.00 0.00 H new ATOM 0 HB2 GLU A 82 1.450 11.517 -1.024 1.00 0.00 H new ATOM 0 HB3 GLU A 82 1.179 12.679 -2.308 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -1.388 12.335 -1.690 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -0.749 11.733 -0.173 1.00 0.00 H new ATOM 1240 N LEU A 83 2.634 10.169 -3.278 1.00 0.00 N ATOM 1241 CA LEU A 83 3.766 9.947 -4.162 1.00 0.00 C ATOM 1242 C LEU A 83 3.346 9.008 -5.294 1.00 0.00 C ATOM 1243 O LEU A 83 3.708 9.222 -6.450 1.00 0.00 O ATOM 1244 CB LEU A 83 4.976 9.451 -3.368 1.00 0.00 C ATOM 1245 CG LEU A 83 5.944 10.530 -2.877 1.00 0.00 C ATOM 1246 CD1 LEU A 83 5.184 11.734 -2.316 1.00 0.00 C ATOM 1247 CD2 LEU A 83 6.936 9.956 -1.864 1.00 0.00 C ATOM 0 H LEU A 83 2.832 10.027 -2.288 1.00 0.00 H new ATOM 0 HA LEU A 83 4.079 10.883 -4.624 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.615 8.894 -2.503 1.00 0.00 H new ATOM 0 HB3 LEU A 83 5.531 8.749 -3.990 1.00 0.00 H new ATOM 0 HG LEU A 83 6.523 10.884 -3.730 1.00 0.00 H new ATOM 0 HD11 LEU A 83 5.895 12.486 -1.974 1.00 0.00 H new ATOM 0 HD12 LEU A 83 4.552 12.160 -3.095 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.563 11.415 -1.479 1.00 0.00 H new ATOM 0 HD21 LEU A 83 7.612 10.743 -1.531 1.00 0.00 H new ATOM 0 HD22 LEU A 83 6.392 9.558 -1.007 1.00 0.00 H new ATOM 0 HD23 LEU A 83 7.511 9.157 -2.331 1.00 0.00 H new ATOM 1259 N PHE A 84 2.589 7.986 -4.922 1.00 0.00 N ATOM 1260 CA PHE A 84 2.116 7.013 -5.892 1.00 0.00 C ATOM 1261 C PHE A 84 1.288 7.688 -6.988 1.00 0.00 C ATOM 1262 O PHE A 84 1.526 7.469 -8.175 1.00 0.00 O ATOM 1263 CB PHE A 84 1.228 6.023 -5.137 1.00 0.00 C ATOM 1264 CG PHE A 84 1.043 4.682 -5.850 1.00 0.00 C ATOM 1265 CD1 PHE A 84 1.996 3.718 -5.743 1.00 0.00 C ATOM 1266 CD2 PHE A 84 -0.074 4.455 -6.592 1.00 0.00 C ATOM 1267 CE1 PHE A 84 1.825 2.473 -6.405 1.00 0.00 C ATOM 1268 CE2 PHE A 84 -0.245 3.210 -7.254 1.00 0.00 C ATOM 1269 CZ PHE A 84 0.708 2.246 -7.147 1.00 0.00 C ATOM 0 H PHE A 84 2.292 7.811 -3.962 1.00 0.00 H new ATOM 0 HA PHE A 84 2.964 6.519 -6.366 1.00 0.00 H new ATOM 0 HB2 PHE A 84 1.659 5.843 -4.152 1.00 0.00 H new ATOM 0 HB3 PHE A 84 0.250 6.476 -4.979 1.00 0.00 H new ATOM 0 HD1 PHE A 84 2.883 3.899 -5.154 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.831 5.221 -6.678 1.00 0.00 H new ATOM 0 HE1 PHE A 84 2.582 1.707 -6.319 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -1.132 3.029 -7.843 1.00 0.00 H new ATOM 0 HZ PHE A 84 0.578 1.300 -7.651 1.00 0.00 H new ATOM 1279 N VAL A 85 0.334 8.496 -6.551 1.00 0.00 N ATOM 1280 CA VAL A 85 -0.530 9.205 -7.479 1.00 0.00 C ATOM 1281 C VAL A 85 0.317 10.139 -8.346 1.00 0.00 C ATOM 1282 O VAL A 85 0.060 10.286 -9.540 1.00 0.00 O ATOM 1283 CB VAL A 85 -1.633 9.939 -6.713 1.00 0.00 C ATOM 1284 CG1 VAL A 85 -1.328 11.434 -6.611 1.00 0.00 C ATOM 1285 CG2 VAL A 85 -3.000 9.700 -7.357 1.00 0.00 C ATOM 0 H VAL A 85 0.140 8.676 -5.566 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.029 8.503 -8.147 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.665 9.534 -5.701 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -2.127 11.932 -6.062 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.383 11.578 -6.086 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.255 11.860 -7.612 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -3.766 10.233 -6.793 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.987 10.064 -8.384 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -3.223 8.633 -7.353 1.00 0.00 H new ATOM 1295 N GLU A 86 1.310 10.744 -7.712 1.00 0.00 N ATOM 1296 CA GLU A 86 2.197 11.659 -8.411 1.00 0.00 C ATOM 1297 C GLU A 86 2.888 10.944 -9.574 1.00 0.00 C ATOM 1298 O GLU A 86 2.928 11.461 -10.689 1.00 0.00 O ATOM 1299 CB GLU A 86 3.223 12.267 -7.453 1.00 0.00 C ATOM 1300 CG GLU A 86 2.704 13.573 -6.848 1.00 0.00 C ATOM 1301 CD GLU A 86 3.708 14.709 -7.053 1.00 0.00 C ATOM 1302 OE1 GLU A 86 4.581 14.860 -6.171 1.00 0.00 O ATOM 1303 OE2 GLU A 86 3.579 15.401 -8.086 1.00 0.00 O ATOM 0 H GLU A 86 1.520 10.619 -6.722 1.00 0.00 H new ATOM 0 HA GLU A 86 1.599 12.475 -8.816 1.00 0.00 H new ATOM 0 HB2 GLU A 86 3.447 11.557 -6.657 1.00 0.00 H new ATOM 0 HB3 GLU A 86 4.156 12.454 -7.985 1.00 0.00 H new ATOM 0 HG2 GLU A 86 1.751 13.837 -7.307 1.00 0.00 H new ATOM 0 HG3 GLU A 86 2.517 13.436 -5.783 1.00 0.00 H new ATOM 1310 N ALA A 87 3.415 9.766 -9.273 1.00 0.00 N ATOM 1311 CA ALA A 87 4.102 8.976 -10.280 1.00 0.00 C ATOM 1312 C ALA A 87 3.086 8.466 -11.304 1.00 0.00 C ATOM 1313 O ALA A 87 3.224 8.718 -12.499 1.00 0.00 O ATOM 1314 CB ALA A 87 4.867 7.837 -9.601 1.00 0.00 C ATOM 0 H ALA A 87 3.380 9.340 -8.347 1.00 0.00 H new ATOM 0 HA ALA A 87 4.830 9.586 -10.814 1.00 0.00 H new ATOM 0 HB1 ALA A 87 5.383 7.244 -10.356 1.00 0.00 H new ATOM 0 HB2 ALA A 87 5.596 8.252 -8.906 1.00 0.00 H new ATOM 0 HB3 ALA A 87 4.167 7.202 -9.057 1.00 0.00 H new ATOM 1320 N VAL A 88 2.087 7.758 -10.797 1.00 0.00 N ATOM 1321 CA VAL A 88 1.048 7.211 -11.652 1.00 0.00 C ATOM 1322 C VAL A 88 0.639 8.262 -12.686 1.00 0.00 C ATOM 1323 O VAL A 88 0.670 8.000 -13.888 1.00 0.00 O ATOM 1324 CB VAL A 88 -0.126 6.721 -10.802 1.00 0.00 C ATOM 1325 CG1 VAL A 88 -1.413 6.662 -11.626 1.00 0.00 C ATOM 1326 CG2 VAL A 88 0.184 5.362 -10.171 1.00 0.00 C ATOM 0 H VAL A 88 1.976 7.551 -9.805 1.00 0.00 H new ATOM 0 HA VAL A 88 1.420 6.344 -12.198 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.278 7.438 -9.995 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -2.231 6.311 -10.998 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -1.648 7.656 -12.006 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.278 5.977 -12.463 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -0.667 5.036 -9.572 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.375 4.631 -10.957 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.064 5.449 -9.534 1.00 0.00 H new ATOM 1336 N GLU A 89 0.266 9.428 -12.182 1.00 0.00 N ATOM 1337 CA GLU A 89 -0.149 10.520 -13.047 1.00 0.00 C ATOM 1338 C GLU A 89 0.981 10.894 -14.008 1.00 0.00 C ATOM 1339 O GLU A 89 0.815 10.821 -15.225 1.00 0.00 O ATOM 1340 CB GLU A 89 -0.594 11.732 -12.226 1.00 0.00 C ATOM 1341 CG GLU A 89 -1.954 11.482 -11.572 1.00 0.00 C ATOM 1342 CD GLU A 89 -3.036 12.360 -12.204 1.00 0.00 C ATOM 1343 OE1 GLU A 89 -3.263 12.193 -13.421 1.00 0.00 O ATOM 1344 OE2 GLU A 89 -3.611 13.179 -11.454 1.00 0.00 O ATOM 0 H GLU A 89 0.242 9.641 -11.185 1.00 0.00 H new ATOM 0 HA GLU A 89 -1.005 10.187 -13.634 1.00 0.00 H new ATOM 0 HB2 GLU A 89 0.149 11.948 -11.458 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -0.652 12.610 -12.869 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -2.225 10.432 -11.678 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -1.891 11.688 -10.504 1.00 0.00 H new ATOM 1351 N GLN A 90 2.105 11.285 -13.426 1.00 0.00 N ATOM 1352 CA GLN A 90 3.262 11.670 -14.216 1.00 0.00 C ATOM 1353 C GLN A 90 3.614 10.567 -15.216 1.00 0.00 C ATOM 1354 O GLN A 90 4.295 10.818 -16.208 1.00 0.00 O ATOM 1355 CB GLN A 90 4.456 11.996 -13.316 1.00 0.00 C ATOM 1356 CG GLN A 90 4.345 13.412 -12.748 1.00 0.00 C ATOM 1357 CD GLN A 90 4.243 14.446 -13.871 1.00 0.00 C ATOM 1358 OE1 GLN A 90 5.216 14.799 -14.516 1.00 0.00 O ATOM 1359 NE2 GLN A 90 3.012 14.911 -14.067 1.00 0.00 N ATOM 0 H GLN A 90 2.239 11.343 -12.417 1.00 0.00 H new ATOM 0 HA GLN A 90 3.012 12.572 -14.774 1.00 0.00 H new ATOM 0 HB2 GLN A 90 4.507 11.276 -12.499 1.00 0.00 H new ATOM 0 HB3 GLN A 90 5.381 11.900 -13.884 1.00 0.00 H new ATOM 0 HG2 GLN A 90 3.469 13.482 -12.104 1.00 0.00 H new ATOM 0 HG3 GLN A 90 5.215 13.628 -12.128 1.00 0.00 H new ATOM 0 HE21 GLN A 90 2.241 14.573 -13.491 1.00 0.00 H new ATOM 0 HE22 GLN A 90 2.839 15.606 -14.793 1.00 0.00 H new ATOM 1368 N ASP A 91 3.132 9.369 -14.919 1.00 0.00 N ATOM 1369 CA ASP A 91 3.387 8.226 -15.780 1.00 0.00 C ATOM 1370 C ASP A 91 4.774 7.659 -15.471 1.00 0.00 C ATOM 1371 O ASP A 91 5.426 7.092 -16.346 1.00 0.00 O ATOM 1372 CB ASP A 91 3.360 8.631 -17.255 1.00 0.00 C ATOM 1373 CG ASP A 91 2.744 7.595 -18.198 1.00 0.00 C ATOM 1374 OD1 ASP A 91 3.097 6.406 -18.044 1.00 0.00 O ATOM 1375 OD2 ASP A 91 1.935 8.016 -19.053 1.00 0.00 O ATOM 0 H ASP A 91 2.567 9.165 -14.095 1.00 0.00 H new ATOM 0 HA ASP A 91 2.610 7.485 -15.595 1.00 0.00 H new ATOM 0 HB2 ASP A 91 2.804 9.563 -17.350 1.00 0.00 H new ATOM 0 HB3 ASP A 91 4.381 8.834 -17.579 1.00 0.00 H new ATOM 1380 N THR A 92 5.185 7.833 -14.223 1.00 0.00 N ATOM 1381 CA THR A 92 6.483 7.346 -13.788 1.00 0.00 C ATOM 1382 C THR A 92 6.330 6.442 -12.563 1.00 0.00 C ATOM 1383 O THR A 92 7.124 6.519 -11.627 1.00 0.00 O ATOM 1384 CB THR A 92 7.384 8.557 -13.540 1.00 0.00 C ATOM 1385 OG1 THR A 92 6.657 9.344 -12.600 1.00 0.00 O ATOM 1386 CG2 THR A 92 7.501 9.461 -14.769 1.00 0.00 C ATOM 0 H THR A 92 4.642 8.304 -13.500 1.00 0.00 H new ATOM 0 HA THR A 92 6.950 6.727 -14.554 1.00 0.00 H new ATOM 0 HB THR A 92 8.376 8.216 -13.243 1.00 0.00 H new ATOM 0 HG1 THR A 92 7.170 10.150 -12.382 1.00 0.00 H new ATOM 0 HG21 THR A 92 8.151 10.305 -14.539 1.00 0.00 H new ATOM 0 HG22 THR A 92 7.922 8.894 -15.599 1.00 0.00 H new ATOM 0 HG23 THR A 92 6.513 9.829 -15.045 1.00 0.00 H new ATOM 1394 N LEU A 93 5.303 5.606 -12.609 1.00 0.00 N ATOM 1395 CA LEU A 93 5.036 4.688 -11.514 1.00 0.00 C ATOM 1396 C LEU A 93 6.169 3.664 -11.425 1.00 0.00 C ATOM 1397 O LEU A 93 6.427 3.110 -10.358 1.00 0.00 O ATOM 1398 CB LEU A 93 3.649 4.059 -11.669 1.00 0.00 C ATOM 1399 CG LEU A 93 3.228 3.085 -10.567 1.00 0.00 C ATOM 1400 CD1 LEU A 93 3.417 3.707 -9.182 1.00 0.00 C ATOM 1401 CD2 LEU A 93 1.795 2.596 -10.785 1.00 0.00 C ATOM 0 H LEU A 93 4.646 5.545 -13.387 1.00 0.00 H new ATOM 0 HA LEU A 93 5.014 5.223 -10.565 1.00 0.00 H new ATOM 0 HB2 LEU A 93 2.912 4.860 -11.719 1.00 0.00 H new ATOM 0 HB3 LEU A 93 3.615 3.534 -12.623 1.00 0.00 H new ATOM 0 HG LEU A 93 3.878 2.211 -10.618 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.110 2.993 -8.418 1.00 0.00 H new ATOM 0 HD12 LEU A 93 4.467 3.963 -9.038 1.00 0.00 H new ATOM 0 HD13 LEU A 93 2.809 4.608 -9.102 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.521 1.905 -9.988 1.00 0.00 H new ATOM 0 HD22 LEU A 93 1.115 3.448 -10.777 1.00 0.00 H new ATOM 0 HD23 LEU A 93 1.727 2.086 -11.746 1.00 0.00 H new ATOM 1413 N GLN A 94 6.815 3.443 -12.561 1.00 0.00 N ATOM 1414 CA GLN A 94 7.914 2.495 -12.624 1.00 0.00 C ATOM 1415 C GLN A 94 9.161 3.083 -11.961 1.00 0.00 C ATOM 1416 O GLN A 94 9.903 2.372 -11.285 1.00 0.00 O ATOM 1417 CB GLN A 94 8.203 2.086 -14.070 1.00 0.00 C ATOM 1418 CG GLN A 94 7.207 1.029 -14.550 1.00 0.00 C ATOM 1419 CD GLN A 94 6.320 1.579 -15.668 1.00 0.00 C ATOM 1420 OE1 GLN A 94 6.782 1.970 -16.727 1.00 0.00 O ATOM 1421 NE2 GLN A 94 5.022 1.588 -15.375 1.00 0.00 N ATOM 0 H GLN A 94 6.598 3.904 -13.445 1.00 0.00 H new ATOM 0 HA GLN A 94 7.625 1.597 -12.078 1.00 0.00 H new ATOM 0 HB2 GLN A 94 8.150 2.962 -14.717 1.00 0.00 H new ATOM 0 HB3 GLN A 94 9.218 1.695 -14.145 1.00 0.00 H new ATOM 0 HG2 GLN A 94 7.746 0.152 -14.907 1.00 0.00 H new ATOM 0 HG3 GLN A 94 6.586 0.704 -13.715 1.00 0.00 H new ATOM 0 HE21 GLN A 94 4.701 1.246 -14.469 1.00 0.00 H new ATOM 0 HE22 GLN A 94 4.348 1.937 -16.056 1.00 0.00 H new ATOM 1430 N GLU A 95 9.353 4.376 -12.178 1.00 0.00 N ATOM 1431 CA GLU A 95 10.498 5.068 -11.609 1.00 0.00 C ATOM 1432 C GLU A 95 10.367 5.149 -10.087 1.00 0.00 C ATOM 1433 O GLU A 95 11.261 4.720 -9.360 1.00 0.00 O ATOM 1434 CB GLU A 95 10.655 6.461 -12.221 1.00 0.00 C ATOM 1435 CG GLU A 95 11.854 6.511 -13.171 1.00 0.00 C ATOM 1436 CD GLU A 95 13.043 7.217 -12.516 1.00 0.00 C ATOM 1437 OE1 GLU A 95 13.033 8.467 -12.518 1.00 0.00 O ATOM 1438 OE2 GLU A 95 13.935 6.490 -12.028 1.00 0.00 O ATOM 0 H GLU A 95 8.736 4.963 -12.740 1.00 0.00 H new ATOM 0 HA GLU A 95 11.397 4.499 -11.846 1.00 0.00 H new ATOM 0 HB2 GLU A 95 9.747 6.729 -12.761 1.00 0.00 H new ATOM 0 HB3 GLU A 95 10.784 7.198 -11.428 1.00 0.00 H new ATOM 0 HG2 GLU A 95 12.140 5.498 -13.456 1.00 0.00 H new ATOM 0 HG3 GLU A 95 11.576 7.033 -14.087 1.00 0.00 H new ATOM 1445 N PHE A 96 9.245 5.702 -9.650 1.00 0.00 N ATOM 1446 CA PHE A 96 8.986 5.845 -8.227 1.00 0.00 C ATOM 1447 C PHE A 96 9.336 4.560 -7.475 1.00 0.00 C ATOM 1448 O PHE A 96 10.078 4.593 -6.494 1.00 0.00 O ATOM 1449 CB PHE A 96 7.489 6.121 -8.071 1.00 0.00 C ATOM 1450 CG PHE A 96 7.002 6.111 -6.621 1.00 0.00 C ATOM 1451 CD1 PHE A 96 7.558 6.955 -5.711 1.00 0.00 C ATOM 1452 CD2 PHE A 96 6.014 5.257 -6.241 1.00 0.00 C ATOM 1453 CE1 PHE A 96 7.107 6.946 -4.365 1.00 0.00 C ATOM 1454 CE2 PHE A 96 5.562 5.248 -4.895 1.00 0.00 C ATOM 1455 CZ PHE A 96 6.118 6.092 -3.985 1.00 0.00 C ATOM 0 H PHE A 96 8.505 6.056 -10.256 1.00 0.00 H new ATOM 0 HA PHE A 96 9.594 6.652 -7.817 1.00 0.00 H new ATOM 0 HB2 PHE A 96 7.261 7.091 -8.513 1.00 0.00 H new ATOM 0 HB3 PHE A 96 6.931 5.374 -8.636 1.00 0.00 H new ATOM 0 HD1 PHE A 96 8.343 7.633 -6.013 1.00 0.00 H new ATOM 0 HD2 PHE A 96 5.573 4.586 -6.963 1.00 0.00 H new ATOM 0 HE1 PHE A 96 7.549 7.617 -3.643 1.00 0.00 H new ATOM 0 HE2 PHE A 96 4.776 4.571 -4.594 1.00 0.00 H new ATOM 0 HZ PHE A 96 5.775 6.084 -2.961 1.00 0.00 H new ATOM 1465 N LEU A 97 8.786 3.457 -7.962 1.00 0.00 N ATOM 1466 CA LEU A 97 9.031 2.164 -7.348 1.00 0.00 C ATOM 1467 C LEU A 97 10.436 1.685 -7.720 1.00 0.00 C ATOM 1468 O LEU A 97 11.139 2.346 -8.483 1.00 0.00 O ATOM 1469 CB LEU A 97 7.926 1.174 -7.722 1.00 0.00 C ATOM 1470 CG LEU A 97 6.496 1.717 -7.672 1.00 0.00 C ATOM 1471 CD1 LEU A 97 5.552 0.852 -8.511 1.00 0.00 C ATOM 1472 CD2 LEU A 97 6.013 1.857 -6.228 1.00 0.00 C ATOM 0 H LEU A 97 8.171 3.433 -8.775 1.00 0.00 H new ATOM 0 HA LEU A 97 8.999 2.247 -6.262 1.00 0.00 H new ATOM 0 HB2 LEU A 97 8.120 0.807 -8.730 1.00 0.00 H new ATOM 0 HB3 LEU A 97 7.992 0.316 -7.053 1.00 0.00 H new ATOM 0 HG LEU A 97 6.494 2.715 -8.110 1.00 0.00 H new ATOM 0 HD11 LEU A 97 4.542 1.259 -8.459 1.00 0.00 H new ATOM 0 HD12 LEU A 97 5.888 0.847 -9.548 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.553 -0.167 -8.125 1.00 0.00 H new ATOM 0 HD21 LEU A 97 4.994 2.245 -6.221 1.00 0.00 H new ATOM 0 HD22 LEU A 97 6.033 0.882 -5.741 1.00 0.00 H new ATOM 0 HD23 LEU A 97 6.666 2.544 -5.691 1.00 0.00 H new ATOM 1484 N LYS A 98 10.804 0.540 -7.163 1.00 0.00 N ATOM 1485 CA LYS A 98 12.112 -0.034 -7.427 1.00 0.00 C ATOM 1486 C LYS A 98 12.017 -0.979 -8.626 1.00 0.00 C ATOM 1487 O LYS A 98 12.493 -2.112 -8.568 1.00 0.00 O ATOM 1488 CB LYS A 98 12.671 -0.695 -6.166 1.00 0.00 C ATOM 1489 CG LYS A 98 14.108 -0.243 -5.901 1.00 0.00 C ATOM 1490 CD LYS A 98 14.134 1.060 -5.098 1.00 0.00 C ATOM 1491 CE LYS A 98 15.569 1.459 -4.748 1.00 0.00 C ATOM 1492 NZ LYS A 98 15.828 2.861 -5.147 1.00 0.00 N ATOM 0 H LYS A 98 10.219 -0.005 -6.530 1.00 0.00 H new ATOM 0 HA LYS A 98 12.824 0.747 -7.692 1.00 0.00 H new ATOM 0 HB2 LYS A 98 12.044 -0.444 -5.311 1.00 0.00 H new ATOM 0 HB3 LYS A 98 12.641 -1.779 -6.276 1.00 0.00 H new ATOM 0 HG2 LYS A 98 14.643 -1.021 -5.356 1.00 0.00 H new ATOM 0 HG3 LYS A 98 14.629 -0.101 -6.848 1.00 0.00 H new ATOM 0 HD2 LYS A 98 13.662 1.856 -5.674 1.00 0.00 H new ATOM 0 HD3 LYS A 98 13.553 0.940 -4.184 1.00 0.00 H new ATOM 0 HE2 LYS A 98 15.734 1.343 -3.677 1.00 0.00 H new ATOM 0 HE3 LYS A 98 16.271 0.795 -5.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 16.806 3.116 -4.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 15.690 2.961 -6.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 15.170 3.492 -4.646 1.00 0.00 H new ATOM 1506 N LEU A 99 11.398 -0.479 -9.686 1.00 0.00 N ATOM 1507 CA LEU A 99 11.234 -1.265 -10.897 1.00 0.00 C ATOM 1508 C LEU A 99 12.317 -0.875 -11.904 1.00 0.00 C ATOM 1509 O LEU A 99 12.996 -1.738 -12.457 1.00 0.00 O ATOM 1510 CB LEU A 99 9.810 -1.123 -11.440 1.00 0.00 C ATOM 1511 CG LEU A 99 8.690 -1.622 -10.524 1.00 0.00 C ATOM 1512 CD1 LEU A 99 7.333 -1.547 -11.227 1.00 0.00 C ATOM 1513 CD2 LEU A 99 8.991 -3.031 -10.008 1.00 0.00 C ATOM 0 H LEU A 99 11.004 0.461 -9.731 1.00 0.00 H new ATOM 0 HA LEU A 99 11.365 -2.326 -10.682 1.00 0.00 H new ATOM 0 HB2 LEU A 99 9.630 -0.071 -11.661 1.00 0.00 H new ATOM 0 HB3 LEU A 99 9.747 -1.663 -12.385 1.00 0.00 H new ATOM 0 HG LEU A 99 8.640 -0.965 -9.656 1.00 0.00 H new ATOM 0 HD11 LEU A 99 6.554 -1.907 -10.555 1.00 0.00 H new ATOM 0 HD12 LEU A 99 7.123 -0.514 -11.504 1.00 0.00 H new ATOM 0 HD13 LEU A 99 7.353 -2.166 -12.124 1.00 0.00 H new ATOM 0 HD21 LEU A 99 8.180 -3.362 -9.360 1.00 0.00 H new ATOM 0 HD22 LEU A 99 9.084 -3.715 -10.851 1.00 0.00 H new ATOM 0 HD23 LEU A 99 9.924 -3.021 -9.445 1.00 0.00 H new ATOM 1525 N ALA A 100 12.447 0.428 -12.110 1.00 0.00 N ATOM 1526 CA ALA A 100 13.436 0.943 -13.041 1.00 0.00 C ATOM 1527 C ALA A 100 14.244 2.049 -12.358 1.00 0.00 C ATOM 1528 O ALA A 100 15.407 1.850 -12.011 1.00 0.00 O ATOM 1529 CB ALA A 100 12.738 1.431 -14.311 1.00 0.00 C ATOM 0 H ALA A 100 11.884 1.142 -11.648 1.00 0.00 H new ATOM 0 HA ALA A 100 14.133 0.158 -13.334 1.00 0.00 H new ATOM 0 HB1 ALA A 100 13.481 1.817 -15.009 1.00 0.00 H new ATOM 0 HB2 ALA A 100 12.202 0.602 -14.773 1.00 0.00 H new ATOM 0 HB3 ALA A 100 12.033 2.222 -14.057 1.00 0.00 H new