USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 630 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 62 LYS NZ :NH3+ -175:sc= -1.28 (180deg=-0.351) USER MOD Set 1.2: A 67 ASN : amide:sc= -1.42 K(o=-2.7,f=-0.71) USER MOD Set 2.1: A 47 TYR OH : rot 142:sc= 0.571 USER MOD Set 2.2: A 51 LYS NZ :NH3+ -135:sc= 0.406 (180deg=-0.762) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot -16:sc= 0.643 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= -1.38 K(o=-1.4,f=-2.4) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -2.64! C(o=-2.6!,f=-3!) USER MOD Single : A 40 SER OG : rot 36:sc= 0.143 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 49 HIS : no HD1:sc= -0.161 X(o=-0.16,f=-0.59) USER MOD Single : A 50 SER OG : rot 180:sc= 0.46 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -161:sc= -0.135 (180deg=-0.633) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot -80:sc= 0.042 USER MOD Single : A 63 HIS : no HE2:sc= 0.106 K(o=0.11,f=-0.62) USER MOD Single : A 65 ASN : amide:sc= -0.921 X(o=-0.92,f=-0.58) USER MOD Single : A 66 LYS NZ :NH3+ -122:sc= -0.921 (180deg=-3.01!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ -177:sc= 0.0602 (180deg=-0.16) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 109 N ASP A 7 -7.604 1.140 14.590 1.00 1.00 N ATOM 110 CA ASP A 7 -7.758 -0.075 13.793 1.00 1.00 C ATOM 111 C ASP A 7 -7.299 0.192 12.360 1.00 1.00 C ATOM 112 O ASP A 7 -7.944 0.938 11.623 1.00 1.00 O ATOM 113 CB ASP A 7 -9.231 -0.523 13.798 1.00 1.00 C ATOM 114 CG ASP A 7 -9.392 -1.855 13.063 1.00 1.00 C ATOM 115 OD1 ASP A 7 -8.450 -2.630 13.064 1.00 1.00 O ATOM 116 OD2 ASP A 7 -10.457 -2.079 12.510 1.00 1.00 O ATOM 0 HA ASP A 7 -7.147 -0.868 14.224 1.00 1.00 H new ATOM 0 HB2 ASP A 7 -9.583 -0.623 14.825 1.00 1.00 H new ATOM 0 HB3 ASP A 7 -9.850 0.238 13.322 1.00 1.00 H new ATOM 121 N GLY A 8 -6.182 -0.424 11.972 1.00 1.00 N ATOM 122 CA GLY A 8 -5.636 -0.258 10.624 1.00 1.00 C ATOM 123 C GLY A 8 -6.422 -1.094 9.633 1.00 1.00 C ATOM 124 O GLY A 8 -7.547 -1.506 9.919 1.00 1.00 O ATOM 0 H GLY A 8 -5.637 -1.043 12.572 1.00 1.00 H new ATOM 0 HA2 GLY A 8 -5.674 0.792 10.335 1.00 1.00 H new ATOM 0 HA3 GLY A 8 -4.587 -0.555 10.610 1.00 1.00 H new ATOM 128 N VAL A 9 -5.820 -1.347 8.463 1.00 1.00 N ATOM 129 CA VAL A 9 -6.466 -2.145 7.402 1.00 1.00 C ATOM 130 C VAL A 9 -5.726 -3.476 7.233 1.00 1.00 C ATOM 131 O VAL A 9 -4.512 -3.507 7.092 1.00 1.00 O ATOM 132 CB VAL A 9 -6.466 -1.356 6.073 1.00 1.00 C ATOM 133 CG1 VAL A 9 -7.367 -2.070 5.051 1.00 1.00 C ATOM 134 CG2 VAL A 9 -6.989 0.071 6.316 1.00 1.00 C ATOM 0 H VAL A 9 -4.887 -1.012 8.224 1.00 1.00 H new ATOM 0 HA VAL A 9 -7.499 -2.350 7.684 1.00 1.00 H new ATOM 0 HB VAL A 9 -5.449 -1.304 5.685 1.00 1.00 H new ATOM 0 HG11 VAL A 9 -7.367 -1.513 4.114 1.00 1.00 H new ATOM 0 HG12 VAL A 9 -6.990 -3.077 4.875 1.00 1.00 H new ATOM 0 HG13 VAL A 9 -8.384 -2.126 5.439 1.00 1.00 H new ATOM 0 HG21 VAL A 9 -6.987 0.624 5.377 1.00 1.00 H new ATOM 0 HG22 VAL A 9 -8.005 0.024 6.708 1.00 1.00 H new ATOM 0 HG23 VAL A 9 -6.345 0.577 7.036 1.00 1.00 H new ATOM 144 N TYR A 10 -6.481 -4.573 7.243 1.00 1.00 N ATOM 145 CA TYR A 10 -5.914 -5.916 7.126 1.00 1.00 C ATOM 146 C TYR A 10 -5.747 -6.267 5.656 1.00 1.00 C ATOM 147 O TYR A 10 -6.590 -5.934 4.824 1.00 1.00 O ATOM 148 CB TYR A 10 -6.884 -6.934 7.780 1.00 1.00 C ATOM 149 CG TYR A 10 -6.763 -6.927 9.310 1.00 1.00 C ATOM 150 CD1 TYR A 10 -7.024 -5.753 10.025 1.00 1.00 C ATOM 151 CD2 TYR A 10 -6.395 -8.092 9.995 1.00 1.00 C ATOM 152 CE1 TYR A 10 -6.919 -5.744 11.421 1.00 1.00 C ATOM 153 CE2 TYR A 10 -6.289 -8.083 11.390 1.00 1.00 C ATOM 154 CZ TYR A 10 -6.550 -6.909 12.104 1.00 1.00 C ATOM 155 OH TYR A 10 -6.443 -6.898 13.477 1.00 1.00 O ATOM 0 H TYR A 10 -7.497 -4.557 7.332 1.00 1.00 H new ATOM 0 HA TYR A 10 -4.945 -5.949 7.625 1.00 1.00 H new ATOM 0 HB2 TYR A 10 -7.909 -6.696 7.494 1.00 1.00 H new ATOM 0 HB3 TYR A 10 -6.672 -7.934 7.402 1.00 1.00 H new ATOM 0 HD1 TYR A 10 -7.307 -4.853 9.499 1.00 1.00 H new ATOM 0 HD2 TYR A 10 -6.193 -8.999 9.445 1.00 1.00 H new ATOM 0 HE1 TYR A 10 -7.123 -4.837 11.972 1.00 1.00 H new ATOM 0 HE2 TYR A 10 -6.006 -8.983 11.916 1.00 1.00 H new ATOM 0 HH TYR A 10 -6.179 -7.788 13.792 1.00 1.00 H new ATOM 165 N VAL A 11 -4.640 -6.953 5.359 1.00 1.00 N ATOM 166 CA VAL A 11 -4.323 -7.381 3.997 1.00 1.00 C ATOM 167 C VAL A 11 -4.683 -8.845 3.829 1.00 1.00 C ATOM 168 O VAL A 11 -4.393 -9.668 4.699 1.00 1.00 O ATOM 169 CB VAL A 11 -2.823 -7.172 3.694 1.00 1.00 C ATOM 170 CG1 VAL A 11 -2.553 -7.438 2.199 1.00 1.00 C ATOM 171 CG2 VAL A 11 -2.439 -5.724 4.037 1.00 1.00 C ATOM 0 H VAL A 11 -3.943 -7.225 6.052 1.00 1.00 H new ATOM 0 HA VAL A 11 -4.903 -6.779 3.297 1.00 1.00 H new ATOM 0 HB VAL A 11 -2.229 -7.862 4.292 1.00 1.00 H new ATOM 0 HG11 VAL A 11 -1.494 -7.290 1.989 1.00 1.00 H new ATOM 0 HG12 VAL A 11 -2.831 -8.463 1.956 1.00 1.00 H new ATOM 0 HG13 VAL A 11 -3.143 -6.749 1.595 1.00 1.00 H new ATOM 0 HG21 VAL A 11 -1.381 -5.568 3.826 1.00 1.00 H new ATOM 0 HG22 VAL A 11 -3.034 -5.037 3.435 1.00 1.00 H new ATOM 0 HG23 VAL A 11 -2.629 -5.538 5.094 1.00 1.00 H new ATOM 181 N LEU A 12 -5.317 -9.167 2.699 1.00 1.00 N ATOM 182 CA LEU A 12 -5.714 -10.540 2.413 1.00 1.00 C ATOM 183 C LEU A 12 -4.605 -11.281 1.675 1.00 1.00 C ATOM 184 O LEU A 12 -4.216 -12.377 2.071 1.00 1.00 O ATOM 185 CB LEU A 12 -7.006 -10.542 1.564 1.00 1.00 C ATOM 186 CG LEU A 12 -7.411 -11.981 1.128 1.00 1.00 C ATOM 187 CD1 LEU A 12 -7.565 -12.917 2.358 1.00 1.00 C ATOM 188 CD2 LEU A 12 -8.735 -11.913 0.345 1.00 1.00 C ATOM 0 H LEU A 12 -5.564 -8.496 1.972 1.00 1.00 H new ATOM 0 HA LEU A 12 -5.899 -11.053 3.357 1.00 1.00 H new ATOM 0 HB2 LEU A 12 -7.818 -10.094 2.137 1.00 1.00 H new ATOM 0 HB3 LEU A 12 -6.860 -9.922 0.679 1.00 1.00 H new ATOM 0 HG LEU A 12 -6.625 -12.392 0.495 1.00 1.00 H new ATOM 0 HD11 LEU A 12 -7.848 -13.915 2.023 1.00 1.00 H new ATOM 0 HD12 LEU A 12 -6.618 -12.970 2.896 1.00 1.00 H new ATOM 0 HD13 LEU A 12 -8.337 -12.524 3.020 1.00 1.00 H new ATOM 0 HD21 LEU A 12 -9.027 -12.917 0.035 1.00 1.00 H new ATOM 0 HD22 LEU A 12 -9.512 -11.489 0.981 1.00 1.00 H new ATOM 0 HD23 LEU A 12 -8.605 -11.285 -0.536 1.00 1.00 H new ATOM 200 N SER A 13 -4.110 -10.693 0.583 1.00 1.00 N ATOM 201 CA SER A 13 -3.063 -11.338 -0.212 1.00 1.00 C ATOM 202 C SER A 13 -2.311 -10.316 -1.046 1.00 1.00 C ATOM 203 O SER A 13 -2.854 -9.280 -1.430 1.00 1.00 O ATOM 204 CB SER A 13 -3.682 -12.391 -1.145 1.00 1.00 C ATOM 205 OG SER A 13 -4.399 -13.339 -0.371 1.00 1.00 O ATOM 0 H SER A 13 -4.412 -9.784 0.233 1.00 1.00 H new ATOM 0 HA SER A 13 -2.366 -11.818 0.475 1.00 1.00 H new ATOM 0 HB2 SER A 13 -4.348 -11.912 -1.862 1.00 1.00 H new ATOM 0 HB3 SER A 13 -2.901 -12.889 -1.719 1.00 1.00 H new ATOM 0 HG SER A 13 -4.133 -13.262 0.569 1.00 1.00 H new ATOM 211 N VAL A 14 -1.048 -10.640 -1.323 1.00 1.00 N ATOM 212 CA VAL A 14 -0.164 -9.788 -2.119 1.00 1.00 C ATOM 213 C VAL A 14 0.634 -10.649 -3.098 1.00 1.00 C ATOM 214 O VAL A 14 1.170 -11.694 -2.736 1.00 1.00 O ATOM 215 CB VAL A 14 0.801 -9.004 -1.179 1.00 1.00 C ATOM 216 CG1 VAL A 14 1.432 -9.965 -0.154 1.00 1.00 C ATOM 217 CG2 VAL A 14 1.929 -8.295 -2.001 1.00 1.00 C ATOM 0 H VAL A 14 -0.608 -11.502 -1.001 1.00 1.00 H new ATOM 0 HA VAL A 14 -0.762 -9.072 -2.683 1.00 1.00 H new ATOM 0 HB VAL A 14 0.223 -8.242 -0.656 1.00 1.00 H new ATOM 0 HG11 VAL A 14 2.105 -9.410 0.499 1.00 1.00 H new ATOM 0 HG12 VAL A 14 0.646 -10.427 0.443 1.00 1.00 H new ATOM 0 HG13 VAL A 14 1.992 -10.739 -0.678 1.00 1.00 H new ATOM 0 HG21 VAL A 14 2.589 -7.755 -1.322 1.00 1.00 H new ATOM 0 HG22 VAL A 14 2.504 -9.042 -2.549 1.00 1.00 H new ATOM 0 HG23 VAL A 14 1.480 -7.594 -2.705 1.00 1.00 H new ATOM 227 N LYS A 15 0.717 -10.192 -4.341 1.00 1.00 N ATOM 228 CA LYS A 15 1.471 -10.910 -5.366 1.00 1.00 C ATOM 229 C LYS A 15 2.964 -10.775 -5.069 1.00 1.00 C ATOM 230 O LYS A 15 3.390 -9.829 -4.413 1.00 1.00 O ATOM 231 CB LYS A 15 1.126 -10.336 -6.747 1.00 1.00 C ATOM 232 CG LYS A 15 -0.350 -10.613 -7.063 1.00 1.00 C ATOM 233 CD LYS A 15 -0.710 -10.016 -8.427 1.00 1.00 C ATOM 234 CE LYS A 15 -2.181 -10.293 -8.743 1.00 1.00 C ATOM 235 NZ LYS A 15 -2.517 -9.698 -10.061 1.00 1.00 N ATOM 0 H LYS A 15 0.275 -9.332 -4.665 1.00 1.00 H new ATOM 0 HA LYS A 15 1.209 -11.968 -5.362 1.00 1.00 H new ATOM 0 HB2 LYS A 15 1.317 -9.263 -6.765 1.00 1.00 H new ATOM 0 HB3 LYS A 15 1.763 -10.786 -7.509 1.00 1.00 H new ATOM 0 HG2 LYS A 15 -0.535 -11.687 -7.066 1.00 1.00 H new ATOM 0 HG3 LYS A 15 -0.984 -10.182 -6.288 1.00 1.00 H new ATOM 0 HD2 LYS A 15 -0.525 -8.942 -8.424 1.00 1.00 H new ATOM 0 HD3 LYS A 15 -0.075 -10.446 -9.201 1.00 1.00 H new ATOM 0 HE2 LYS A 15 -2.366 -11.367 -8.757 1.00 1.00 H new ATOM 0 HE3 LYS A 15 -2.818 -9.870 -7.966 1.00 1.00 H new ATOM 0 HZ1 LYS A 15 -3.516 -9.883 -10.281 1.00 1.00 H new ATOM 0 HZ2 LYS A 15 -2.354 -8.671 -10.030 1.00 1.00 H new ATOM 0 HZ3 LYS A 15 -1.916 -10.122 -10.797 1.00 1.00 H new ATOM 249 N GLU A 16 3.755 -11.755 -5.508 1.00 1.00 N ATOM 250 CA GLU A 16 5.207 -11.766 -5.250 1.00 1.00 C ATOM 251 C GLU A 16 5.985 -11.188 -6.427 1.00 1.00 C ATOM 252 O GLU A 16 7.202 -11.357 -6.512 1.00 1.00 O ATOM 253 CB GLU A 16 5.662 -13.212 -4.986 1.00 1.00 C ATOM 254 CG GLU A 16 4.921 -13.786 -3.758 1.00 1.00 C ATOM 255 CD GLU A 16 5.319 -13.041 -2.480 1.00 1.00 C ATOM 256 OE1 GLU A 16 6.385 -12.447 -2.465 1.00 1.00 O ATOM 257 OE2 GLU A 16 4.549 -13.059 -1.535 1.00 1.00 O ATOM 0 H GLU A 16 3.420 -12.555 -6.045 1.00 1.00 H new ATOM 0 HA GLU A 16 5.408 -11.144 -4.378 1.00 1.00 H new ATOM 0 HB2 GLU A 16 5.463 -13.830 -5.862 1.00 1.00 H new ATOM 0 HB3 GLU A 16 6.738 -13.237 -4.816 1.00 1.00 H new ATOM 0 HG2 GLU A 16 3.844 -13.707 -3.909 1.00 1.00 H new ATOM 0 HG3 GLU A 16 5.152 -14.846 -3.652 1.00 1.00 H new ATOM 264 N ASP A 17 5.286 -10.493 -7.328 1.00 1.00 N ATOM 265 CA ASP A 17 5.917 -9.869 -8.504 1.00 1.00 C ATOM 266 C ASP A 17 5.406 -8.448 -8.647 1.00 1.00 C ATOM 267 O ASP A 17 5.110 -7.988 -9.753 1.00 1.00 O ATOM 268 CB ASP A 17 5.589 -10.677 -9.766 1.00 1.00 C ATOM 269 CG ASP A 17 6.142 -12.097 -9.639 1.00 1.00 C ATOM 270 OD1 ASP A 17 7.129 -12.265 -8.941 1.00 1.00 O ATOM 271 OD2 ASP A 17 5.568 -12.993 -10.236 1.00 1.00 O ATOM 0 H ASP A 17 4.278 -10.345 -7.269 1.00 1.00 H new ATOM 0 HA ASP A 17 6.999 -9.854 -8.373 1.00 1.00 H new ATOM 0 HB2 ASP A 17 4.510 -10.711 -9.915 1.00 1.00 H new ATOM 0 HB3 ASP A 17 6.017 -10.189 -10.641 1.00 1.00 H new ATOM 276 N VAL A 18 5.296 -7.752 -7.510 1.00 1.00 N ATOM 277 CA VAL A 18 4.808 -6.365 -7.488 1.00 1.00 C ATOM 278 C VAL A 18 5.607 -5.541 -6.458 1.00 1.00 C ATOM 279 O VAL A 18 6.112 -6.102 -5.485 1.00 1.00 O ATOM 280 CB VAL A 18 3.293 -6.342 -7.131 1.00 1.00 C ATOM 281 CG1 VAL A 18 2.459 -6.846 -8.323 1.00 1.00 C ATOM 282 CG2 VAL A 18 3.049 -7.238 -5.912 1.00 1.00 C ATOM 0 H VAL A 18 5.538 -8.125 -6.592 1.00 1.00 H new ATOM 0 HA VAL A 18 4.946 -5.924 -8.475 1.00 1.00 H new ATOM 0 HB VAL A 18 2.993 -5.320 -6.901 1.00 1.00 H new ATOM 0 HG11 VAL A 18 1.401 -6.825 -8.061 1.00 1.00 H new ATOM 0 HG12 VAL A 18 2.632 -6.203 -9.186 1.00 1.00 H new ATOM 0 HG13 VAL A 18 2.753 -7.867 -8.567 1.00 1.00 H new ATOM 0 HG21 VAL A 18 1.989 -7.226 -5.658 1.00 1.00 H new ATOM 0 HG22 VAL A 18 3.355 -8.258 -6.143 1.00 1.00 H new ATOM 0 HG23 VAL A 18 3.629 -6.868 -5.067 1.00 1.00 H new ATOM 292 N PRO A 19 5.728 -4.225 -6.635 1.00 1.00 N ATOM 293 CA PRO A 19 6.474 -3.357 -5.672 1.00 1.00 C ATOM 294 C PRO A 19 6.138 -3.659 -4.202 1.00 1.00 C ATOM 295 O PRO A 19 6.974 -3.478 -3.327 1.00 1.00 O ATOM 296 CB PRO A 19 6.033 -1.927 -6.050 1.00 1.00 C ATOM 297 CG PRO A 19 5.692 -1.991 -7.511 1.00 1.00 C ATOM 298 CD PRO A 19 5.202 -3.431 -7.780 1.00 1.00 C ATOM 0 HA PRO A 19 7.550 -3.518 -5.744 1.00 1.00 H new ATOM 0 HB2 PRO A 19 5.173 -1.611 -5.459 1.00 1.00 H new ATOM 0 HB3 PRO A 19 6.830 -1.207 -5.863 1.00 1.00 H new ATOM 0 HG2 PRO A 19 4.919 -1.264 -7.762 1.00 1.00 H new ATOM 0 HG3 PRO A 19 6.562 -1.756 -8.124 1.00 1.00 H new ATOM 0 HD2 PRO A 19 4.114 -3.477 -7.828 1.00 1.00 H new ATOM 0 HD3 PRO A 19 5.580 -3.808 -8.731 1.00 1.00 H new ATOM 306 N ALA A 20 4.906 -4.097 -3.948 1.00 1.00 N ATOM 307 CA ALA A 20 4.465 -4.395 -2.584 1.00 1.00 C ATOM 308 C ALA A 20 5.294 -5.533 -1.996 1.00 1.00 C ATOM 309 O ALA A 20 5.421 -5.663 -0.778 1.00 1.00 O ATOM 310 CB ALA A 20 2.984 -4.779 -2.595 1.00 1.00 C ATOM 0 H ALA A 20 4.197 -4.253 -4.665 1.00 1.00 H new ATOM 0 HA ALA A 20 4.603 -3.508 -1.965 1.00 1.00 H new ATOM 0 HB1 ALA A 20 2.658 -5.000 -1.579 1.00 1.00 H new ATOM 0 HB2 ALA A 20 2.396 -3.951 -2.992 1.00 1.00 H new ATOM 0 HB3 ALA A 20 2.841 -5.659 -3.222 1.00 1.00 H new ATOM 316 N ALA A 21 5.862 -6.349 -2.876 1.00 1.00 N ATOM 317 CA ALA A 21 6.694 -7.470 -2.459 1.00 1.00 C ATOM 318 C ALA A 21 7.942 -6.960 -1.739 1.00 1.00 C ATOM 319 O ALA A 21 8.847 -6.411 -2.369 1.00 1.00 O ATOM 320 CB ALA A 21 7.114 -8.284 -3.691 1.00 1.00 C ATOM 0 H ALA A 21 5.761 -6.254 -3.887 1.00 1.00 H new ATOM 0 HA ALA A 21 6.122 -8.101 -1.779 1.00 1.00 H new ATOM 0 HB1 ALA A 21 7.736 -9.122 -3.378 1.00 1.00 H new ATOM 0 HB2 ALA A 21 6.226 -8.661 -4.198 1.00 1.00 H new ATOM 0 HB3 ALA A 21 7.678 -7.648 -4.372 1.00 1.00 H new ATOM 326 N GLY A 22 7.979 -7.144 -0.412 1.00 1.00 N ATOM 327 CA GLY A 22 9.112 -6.699 0.422 1.00 1.00 C ATOM 328 C GLY A 22 8.733 -5.497 1.274 1.00 1.00 C ATOM 329 O GLY A 22 9.527 -5.045 2.100 1.00 1.00 O ATOM 0 H GLY A 22 7.233 -7.601 0.113 1.00 1.00 H new ATOM 0 HA2 GLY A 22 9.435 -7.517 1.066 1.00 1.00 H new ATOM 0 HA3 GLY A 22 9.958 -6.443 -0.216 1.00 1.00 H new ATOM 333 N ILE A 23 7.510 -4.981 1.076 1.00 1.00 N ATOM 334 CA ILE A 23 7.006 -3.823 1.839 1.00 1.00 C ATOM 335 C ILE A 23 5.785 -4.211 2.669 1.00 1.00 C ATOM 336 O ILE A 23 5.725 -3.921 3.864 1.00 1.00 O ATOM 337 CB ILE A 23 6.660 -2.666 0.863 1.00 1.00 C ATOM 338 CG1 ILE A 23 7.978 -2.153 0.176 1.00 1.00 C ATOM 339 CG2 ILE A 23 5.947 -1.491 1.621 1.00 1.00 C ATOM 340 CD1 ILE A 23 8.522 -3.126 -0.905 1.00 1.00 C ATOM 0 H ILE A 23 6.848 -5.347 0.392 1.00 1.00 H new ATOM 0 HA ILE A 23 7.783 -3.488 2.526 1.00 1.00 H new ATOM 0 HB ILE A 23 5.975 -3.038 0.101 1.00 1.00 H new ATOM 0 HG12 ILE A 23 7.788 -1.182 -0.281 1.00 1.00 H new ATOM 0 HG13 ILE A 23 8.743 -2.002 0.938 1.00 1.00 H new ATOM 0 HG21 ILE A 23 5.714 -0.692 0.917 1.00 1.00 H new ATOM 0 HG22 ILE A 23 5.025 -1.856 2.073 1.00 1.00 H new ATOM 0 HG23 ILE A 23 6.606 -1.108 2.400 1.00 1.00 H new ATOM 0 HD11 ILE A 23 9.432 -2.714 -1.341 1.00 1.00 H new ATOM 0 HD12 ILE A 23 8.743 -4.091 -0.448 1.00 1.00 H new ATOM 0 HD13 ILE A 23 7.773 -3.257 -1.686 1.00 1.00 H new ATOM 352 N LEU A 24 4.810 -4.855 2.024 1.00 1.00 N ATOM 353 CA LEU A 24 3.564 -5.277 2.689 1.00 1.00 C ATOM 354 C LEU A 24 3.501 -6.789 2.778 1.00 1.00 C ATOM 355 O LEU A 24 4.051 -7.501 1.939 1.00 1.00 O ATOM 356 CB LEU A 24 2.342 -4.732 1.893 1.00 1.00 C ATOM 357 CG LEU A 24 2.025 -3.247 2.279 1.00 1.00 C ATOM 358 CD1 LEU A 24 1.256 -2.554 1.136 1.00 1.00 C ATOM 359 CD2 LEU A 24 1.177 -3.196 3.574 1.00 1.00 C ATOM 0 H LEU A 24 4.855 -5.099 1.035 1.00 1.00 H new ATOM 0 HA LEU A 24 3.543 -4.873 3.701 1.00 1.00 H new ATOM 0 HB2 LEU A 24 2.544 -4.796 0.824 1.00 1.00 H new ATOM 0 HB3 LEU A 24 1.470 -5.355 2.091 1.00 1.00 H new ATOM 0 HG LEU A 24 2.968 -2.727 2.448 1.00 1.00 H new ATOM 0 HD11 LEU A 24 1.041 -1.523 1.415 1.00 1.00 H new ATOM 0 HD12 LEU A 24 1.862 -2.566 0.230 1.00 1.00 H new ATOM 0 HD13 LEU A 24 0.321 -3.083 0.954 1.00 1.00 H new ATOM 0 HD21 LEU A 24 0.965 -2.158 3.829 1.00 1.00 H new ATOM 0 HD22 LEU A 24 0.240 -3.730 3.416 1.00 1.00 H new ATOM 0 HD23 LEU A 24 1.729 -3.665 4.389 1.00 1.00 H new ATOM 371 N HIS A 25 2.822 -7.271 3.821 1.00 1.00 N ATOM 372 CA HIS A 25 2.673 -8.704 4.045 1.00 1.00 C ATOM 373 C HIS A 25 1.313 -9.019 4.655 1.00 1.00 C ATOM 374 O HIS A 25 0.663 -8.157 5.251 1.00 1.00 O ATOM 375 CB HIS A 25 3.791 -9.181 4.971 1.00 1.00 C ATOM 376 CG HIS A 25 5.123 -8.822 4.364 1.00 1.00 C ATOM 377 ND1 HIS A 25 5.566 -9.371 3.173 1.00 1.00 N ATOM 378 CD2 HIS A 25 6.125 -7.978 4.783 1.00 1.00 C ATOM 379 CE1 HIS A 25 6.781 -8.857 2.919 1.00 1.00 C ATOM 380 NE2 HIS A 25 7.175 -8.002 3.866 1.00 1.00 N ATOM 0 H HIS A 25 2.367 -6.686 4.523 1.00 1.00 H new ATOM 0 HA HIS A 25 2.739 -9.224 3.089 1.00 1.00 H new ATOM 0 HB2 HIS A 25 3.689 -8.719 5.953 1.00 1.00 H new ATOM 0 HB3 HIS A 25 3.723 -10.259 5.118 1.00 1.00 H new ATOM 0 HD2 HIS A 25 6.102 -7.386 5.686 1.00 1.00 H new ATOM 0 HE1 HIS A 25 7.371 -9.106 2.049 1.00 1.00 H new ATOM 0 HE2 HIS A 25 8.051 -7.481 3.909 1.00 1.00 H new ATOM 389 N ALA A 26 0.891 -10.268 4.495 1.00 1.00 N ATOM 390 CA ALA A 26 -0.392 -10.717 5.026 1.00 1.00 C ATOM 391 C ALA A 26 -0.431 -10.533 6.546 1.00 1.00 C ATOM 392 O ALA A 26 0.438 -11.037 7.261 1.00 1.00 O ATOM 393 CB ALA A 26 -0.601 -12.197 4.684 1.00 1.00 C ATOM 0 H ALA A 26 1.418 -10.988 4.002 1.00 1.00 H new ATOM 0 HA ALA A 26 -1.187 -10.122 4.577 1.00 1.00 H new ATOM 0 HB1 ALA A 26 -1.560 -12.530 5.081 1.00 1.00 H new ATOM 0 HB2 ALA A 26 -0.593 -12.325 3.602 1.00 1.00 H new ATOM 0 HB3 ALA A 26 0.201 -12.789 5.126 1.00 1.00 H new ATOM 399 N GLY A 27 -1.446 -9.807 7.033 1.00 1.00 N ATOM 400 CA GLY A 27 -1.608 -9.546 8.472 1.00 1.00 C ATOM 401 C GLY A 27 -1.092 -8.157 8.841 1.00 1.00 C ATOM 402 O GLY A 27 -1.219 -7.731 9.989 1.00 1.00 O ATOM 0 H GLY A 27 -2.171 -9.388 6.450 1.00 1.00 H new ATOM 0 HA2 GLY A 27 -2.660 -9.630 8.744 1.00 1.00 H new ATOM 0 HA3 GLY A 27 -1.069 -10.301 9.044 1.00 1.00 H new ATOM 406 N ASP A 28 -0.508 -7.449 7.869 1.00 1.00 N ATOM 407 CA ASP A 28 0.019 -6.099 8.116 1.00 1.00 C ATOM 408 C ASP A 28 -1.128 -5.101 8.216 1.00 1.00 C ATOM 409 O ASP A 28 -2.111 -5.210 7.483 1.00 1.00 O ATOM 410 CB ASP A 28 0.968 -5.692 6.973 1.00 1.00 C ATOM 411 CG ASP A 28 2.214 -6.584 6.961 1.00 1.00 C ATOM 412 OD1 ASP A 28 2.197 -7.604 7.631 1.00 1.00 O ATOM 413 OD2 ASP A 28 3.163 -6.228 6.283 1.00 1.00 O ATOM 0 H ASP A 28 -0.388 -7.782 6.912 1.00 1.00 H new ATOM 0 HA ASP A 28 0.570 -6.100 9.056 1.00 1.00 H new ATOM 0 HB2 ASP A 28 0.449 -5.770 6.018 1.00 1.00 H new ATOM 0 HB3 ASP A 28 1.262 -4.649 7.092 1.00 1.00 H new ATOM 418 N LEU A 29 -0.999 -4.126 9.133 1.00 1.00 N ATOM 419 CA LEU A 29 -2.035 -3.099 9.343 1.00 1.00 C ATOM 420 C LEU A 29 -1.482 -1.720 8.987 1.00 1.00 C ATOM 421 O LEU A 29 -0.505 -1.268 9.587 1.00 1.00 O ATOM 422 CB LEU A 29 -2.466 -3.104 10.833 1.00 1.00 C ATOM 423 CG LEU A 29 -2.729 -4.539 11.323 1.00 1.00 C ATOM 424 CD1 LEU A 29 -3.125 -4.505 12.809 1.00 1.00 C ATOM 425 CD2 LEU A 29 -3.854 -5.207 10.495 1.00 1.00 C ATOM 0 H LEU A 29 -0.186 -4.028 9.741 1.00 1.00 H new ATOM 0 HA LEU A 29 -2.892 -3.319 8.706 1.00 1.00 H new ATOM 0 HB2 LEU A 29 -1.688 -2.644 11.442 1.00 1.00 H new ATOM 0 HB3 LEU A 29 -3.366 -2.502 10.958 1.00 1.00 H new ATOM 0 HG LEU A 29 -1.819 -5.125 11.197 1.00 1.00 H new ATOM 0 HD11 LEU A 29 -3.312 -5.520 13.159 1.00 1.00 H new ATOM 0 HD12 LEU A 29 -2.316 -4.064 13.391 1.00 1.00 H new ATOM 0 HD13 LEU A 29 -4.028 -3.907 12.931 1.00 1.00 H new ATOM 0 HD21 LEU A 29 -4.022 -6.220 10.860 1.00 1.00 H new ATOM 0 HD22 LEU A 29 -4.772 -4.628 10.596 1.00 1.00 H new ATOM 0 HD23 LEU A 29 -3.561 -5.243 9.446 1.00 1.00 H new ATOM 437 N ILE A 30 -2.122 -1.041 8.028 1.00 1.00 N ATOM 438 CA ILE A 30 -1.701 0.301 7.620 1.00 1.00 C ATOM 439 C ILE A 30 -2.476 1.308 8.456 1.00 1.00 C ATOM 440 O ILE A 30 -3.678 1.145 8.661 1.00 1.00 O ATOM 441 CB ILE A 30 -1.963 0.522 6.121 1.00 1.00 C ATOM 442 CG1 ILE A 30 -1.242 -0.591 5.321 1.00 1.00 C ATOM 443 CG2 ILE A 30 -1.409 1.908 5.706 1.00 1.00 C ATOM 444 CD1 ILE A 30 -1.531 -0.452 3.827 1.00 1.00 C ATOM 0 H ILE A 30 -2.932 -1.399 7.522 1.00 1.00 H new ATOM 0 HA ILE A 30 -0.630 0.423 7.782 1.00 1.00 H new ATOM 0 HB ILE A 30 -3.033 0.487 5.916 1.00 1.00 H new ATOM 0 HG12 ILE A 30 -0.168 -0.534 5.496 1.00 1.00 H new ATOM 0 HG13 ILE A 30 -1.571 -1.569 5.671 1.00 1.00 H new ATOM 0 HG21 ILE A 30 -1.592 2.070 4.644 1.00 1.00 H new ATOM 0 HG22 ILE A 30 -1.908 2.687 6.283 1.00 1.00 H new ATOM 0 HG23 ILE A 30 -0.337 1.944 5.899 1.00 1.00 H new ATOM 0 HD11 ILE A 30 -1.016 -1.243 3.282 1.00 1.00 H new ATOM 0 HD12 ILE A 30 -2.604 -0.532 3.655 1.00 1.00 H new ATOM 0 HD13 ILE A 30 -1.179 0.519 3.477 1.00 1.00 H new ATOM 456 N THR A 31 -1.775 2.335 8.955 1.00 1.00 N ATOM 457 CA THR A 31 -2.392 3.374 9.807 1.00 1.00 C ATOM 458 C THR A 31 -2.180 4.765 9.228 1.00 1.00 C ATOM 459 O THR A 31 -2.931 5.688 9.541 1.00 1.00 O ATOM 460 CB THR A 31 -1.772 3.318 11.225 1.00 1.00 C ATOM 461 OG1 THR A 31 -0.546 4.046 11.236 1.00 1.00 O ATOM 462 CG2 THR A 31 -1.482 1.861 11.627 1.00 1.00 C ATOM 0 H THR A 31 -0.779 2.473 8.786 1.00 1.00 H new ATOM 0 HA THR A 31 -3.463 3.178 9.853 1.00 1.00 H new ATOM 0 HB THR A 31 -2.479 3.754 11.931 1.00 1.00 H new ATOM 0 HG1 THR A 31 -0.154 4.013 12.133 1.00 1.00 H new ATOM 0 HG21 THR A 31 -1.047 1.839 12.626 1.00 1.00 H new ATOM 0 HG22 THR A 31 -2.411 1.291 11.623 1.00 1.00 H new ATOM 0 HG23 THR A 31 -0.783 1.420 10.917 1.00 1.00 H new ATOM 470 N GLU A 32 -1.148 4.932 8.401 1.00 1.00 N ATOM 471 CA GLU A 32 -0.853 6.244 7.821 1.00 1.00 C ATOM 472 C GLU A 32 -0.150 6.089 6.479 1.00 1.00 C ATOM 473 O GLU A 32 0.602 5.144 6.271 1.00 1.00 O ATOM 474 CB GLU A 32 0.020 7.030 8.808 1.00 1.00 C ATOM 475 CG GLU A 32 0.231 8.479 8.338 1.00 1.00 C ATOM 476 CD GLU A 32 0.996 9.277 9.395 1.00 1.00 C ATOM 477 OE1 GLU A 32 1.792 8.689 10.107 1.00 1.00 O ATOM 478 OE2 GLU A 32 0.782 10.476 9.461 1.00 1.00 O ATOM 0 H GLU A 32 -0.510 4.188 8.120 1.00 1.00 H new ATOM 0 HA GLU A 32 -1.781 6.787 7.644 1.00 1.00 H new ATOM 0 HB2 GLU A 32 -0.449 7.029 9.792 1.00 1.00 H new ATOM 0 HB3 GLU A 32 0.986 6.536 8.915 1.00 1.00 H new ATOM 0 HG2 GLU A 32 0.783 8.486 7.398 1.00 1.00 H new ATOM 0 HG3 GLU A 32 -0.733 8.949 8.145 1.00 1.00 H new ATOM 485 N ILE A 33 -0.411 7.029 5.564 1.00 1.00 N ATOM 486 CA ILE A 33 0.191 7.016 4.222 1.00 1.00 C ATOM 487 C ILE A 33 0.650 8.421 3.880 1.00 1.00 C ATOM 488 O ILE A 33 -0.060 9.386 4.130 1.00 1.00 O ATOM 489 CB ILE A 33 -0.847 6.502 3.198 1.00 1.00 C ATOM 490 CG1 ILE A 33 -1.305 5.044 3.600 1.00 1.00 C ATOM 491 CG2 ILE A 33 -0.240 6.504 1.773 1.00 1.00 C ATOM 492 CD1 ILE A 33 -2.654 5.072 4.334 1.00 1.00 C ATOM 0 H ILE A 33 -1.040 7.815 5.729 1.00 1.00 H new ATOM 0 HA ILE A 33 1.053 6.349 4.195 1.00 1.00 H new ATOM 0 HB ILE A 33 -1.714 7.162 3.202 1.00 1.00 H new ATOM 0 HG12 ILE A 33 -1.386 4.425 2.706 1.00 1.00 H new ATOM 0 HG13 ILE A 33 -0.550 4.585 4.238 1.00 1.00 H new ATOM 0 HG21 ILE A 33 -0.981 6.140 1.061 1.00 1.00 H new ATOM 0 HG22 ILE A 33 0.054 7.519 1.504 1.00 1.00 H new ATOM 0 HG23 ILE A 33 0.635 5.855 1.749 1.00 1.00 H new ATOM 0 HD11 ILE A 33 -2.945 4.056 4.599 1.00 1.00 H new ATOM 0 HD12 ILE A 33 -2.563 5.671 5.240 1.00 1.00 H new ATOM 0 HD13 ILE A 33 -3.413 5.509 3.685 1.00 1.00 H new ATOM 504 N ASP A 34 1.847 8.527 3.297 1.00 1.00 N ATOM 505 CA ASP A 34 2.428 9.815 2.897 1.00 1.00 C ATOM 506 C ASP A 34 2.224 10.899 3.967 1.00 1.00 C ATOM 507 O ASP A 34 2.355 12.088 3.686 1.00 1.00 O ATOM 508 CB ASP A 34 1.818 10.253 1.552 1.00 1.00 C ATOM 509 CG ASP A 34 2.173 9.248 0.449 1.00 1.00 C ATOM 510 OD1 ASP A 34 2.981 8.369 0.705 1.00 1.00 O ATOM 511 OD2 ASP A 34 1.631 9.372 -0.637 1.00 1.00 O ATOM 0 H ASP A 34 2.441 7.725 3.088 1.00 1.00 H new ATOM 0 HA ASP A 34 3.504 9.684 2.786 1.00 1.00 H new ATOM 0 HB2 ASP A 34 0.735 10.332 1.646 1.00 1.00 H new ATOM 0 HB3 ASP A 34 2.188 11.243 1.283 1.00 1.00 H new ATOM 516 N GLY A 35 1.905 10.471 5.186 1.00 1.00 N ATOM 517 CA GLY A 35 1.691 11.394 6.291 1.00 1.00 C ATOM 518 C GLY A 35 0.487 12.293 6.042 1.00 1.00 C ATOM 519 O GLY A 35 0.351 13.345 6.663 1.00 1.00 O ATOM 0 H GLY A 35 1.789 9.488 5.431 1.00 1.00 H new ATOM 0 HA2 GLY A 35 1.542 10.831 7.213 1.00 1.00 H new ATOM 0 HA3 GLY A 35 2.581 12.007 6.432 1.00 1.00 H new ATOM 523 N GLN A 36 -0.380 11.893 5.108 1.00 1.00 N ATOM 524 CA GLN A 36 -1.564 12.686 4.752 1.00 1.00 C ATOM 525 C GLN A 36 -2.722 12.438 5.713 1.00 1.00 C ATOM 526 O GLN A 36 -2.706 11.486 6.484 1.00 1.00 O ATOM 527 CB GLN A 36 -1.988 12.339 3.307 1.00 1.00 C ATOM 528 CG GLN A 36 -2.736 10.977 3.233 1.00 1.00 C ATOM 529 CD GLN A 36 -2.736 10.429 1.813 1.00 1.00 C ATOM 530 OE1 GLN A 36 -2.392 11.136 0.866 1.00 1.00 O ATOM 531 NE2 GLN A 36 -3.108 9.196 1.596 1.00 1.00 N ATOM 0 H GLN A 36 -0.286 11.024 4.583 1.00 1.00 H new ATOM 0 HA GLN A 36 -1.305 13.742 4.823 1.00 1.00 H new ATOM 0 HB2 GLN A 36 -2.632 13.128 2.918 1.00 1.00 H new ATOM 0 HB3 GLN A 36 -1.105 12.304 2.668 1.00 1.00 H new ATOM 0 HG2 GLN A 36 -2.260 10.260 3.903 1.00 1.00 H new ATOM 0 HG3 GLN A 36 -3.762 11.103 3.578 1.00 1.00 H new ATOM 0 HE21 GLN A 36 -3.394 8.605 2.376 1.00 1.00 H new ATOM 0 HE22 GLN A 36 -3.112 8.824 0.646 1.00 1.00 H new ATOM 593 N SER A 40 -11.729 7.298 6.992 1.00 1.00 N ATOM 594 CA SER A 40 -12.072 5.869 6.894 1.00 1.00 C ATOM 595 C SER A 40 -11.014 5.122 6.104 1.00 1.00 C ATOM 596 O SER A 40 -10.194 5.721 5.417 1.00 1.00 O ATOM 597 CB SER A 40 -13.435 5.700 6.199 1.00 1.00 C ATOM 598 OG SER A 40 -14.420 6.421 6.924 1.00 1.00 O ATOM 0 HA SER A 40 -12.122 5.459 7.903 1.00 1.00 H new ATOM 0 HB2 SER A 40 -13.382 6.065 5.173 1.00 1.00 H new ATOM 0 HB3 SER A 40 -13.703 4.645 6.149 1.00 1.00 H new ATOM 0 HG SER A 40 -14.027 7.246 7.277 1.00 1.00 H new ATOM 604 N SER A 41 -11.050 3.799 6.196 1.00 1.00 N ATOM 605 CA SER A 41 -10.102 2.965 5.468 1.00 1.00 C ATOM 606 C SER A 41 -10.261 3.209 3.973 1.00 1.00 C ATOM 607 O SER A 41 -9.315 3.092 3.219 1.00 1.00 O ATOM 608 CB SER A 41 -10.356 1.490 5.780 1.00 1.00 C ATOM 609 OG SER A 41 -11.685 1.154 5.407 1.00 1.00 O ATOM 0 H SER A 41 -11.721 3.282 6.764 1.00 1.00 H new ATOM 0 HA SER A 41 -9.088 3.221 5.774 1.00 1.00 H new ATOM 0 HB2 SER A 41 -9.645 0.864 5.240 1.00 1.00 H new ATOM 0 HB3 SER A 41 -10.205 1.300 6.843 1.00 1.00 H new ATOM 0 HG SER A 41 -11.851 0.208 5.604 1.00 1.00 H new ATOM 615 N GLN A 42 -11.478 3.554 3.567 1.00 1.00 N ATOM 616 CA GLN A 42 -11.772 3.820 2.160 1.00 1.00 C ATOM 617 C GLN A 42 -10.993 5.040 1.665 1.00 1.00 C ATOM 618 O GLN A 42 -10.649 5.129 0.487 1.00 1.00 O ATOM 619 CB GLN A 42 -13.283 4.062 1.984 1.00 1.00 C ATOM 620 CG GLN A 42 -13.638 4.169 0.491 1.00 1.00 C ATOM 621 CD GLN A 42 -15.140 4.354 0.308 1.00 1.00 C ATOM 622 OE1 GLN A 42 -15.930 4.066 1.208 1.00 1.00 O ATOM 623 NE2 GLN A 42 -15.595 4.822 -0.822 1.00 1.00 N ATOM 0 H GLN A 42 -12.278 3.657 4.191 1.00 1.00 H new ATOM 0 HA GLN A 42 -11.469 2.954 1.572 1.00 1.00 H new ATOM 0 HB2 GLN A 42 -13.844 3.246 2.440 1.00 1.00 H new ATOM 0 HB3 GLN A 42 -13.574 4.977 2.500 1.00 1.00 H new ATOM 0 HG2 GLN A 42 -13.106 5.009 0.045 1.00 1.00 H new ATOM 0 HG3 GLN A 42 -13.311 3.270 -0.031 1.00 1.00 H new ATOM 0 HE21 GLN A 42 -14.947 5.063 -1.572 1.00 1.00 H new ATOM 0 HE22 GLN A 42 -16.599 4.947 -0.955 1.00 1.00 H new ATOM 632 N GLU A 43 -10.733 5.986 2.565 1.00 1.00 N ATOM 633 CA GLU A 43 -10.015 7.207 2.201 1.00 1.00 C ATOM 634 C GLU A 43 -8.630 6.871 1.673 1.00 1.00 C ATOM 635 O GLU A 43 -8.056 7.624 0.888 1.00 1.00 O ATOM 636 CB GLU A 43 -9.878 8.129 3.427 1.00 1.00 C ATOM 637 CG GLU A 43 -11.264 8.512 3.969 1.00 1.00 C ATOM 638 CD GLU A 43 -12.035 9.356 2.955 1.00 1.00 C ATOM 639 OE1 GLU A 43 -11.505 10.367 2.525 1.00 1.00 O ATOM 640 OE2 GLU A 43 -13.144 8.981 2.613 1.00 1.00 O ATOM 0 H GLU A 43 -11.007 5.932 3.546 1.00 1.00 H new ATOM 0 HA GLU A 43 -10.583 7.717 1.423 1.00 1.00 H new ATOM 0 HB2 GLU A 43 -9.303 7.627 4.205 1.00 1.00 H new ATOM 0 HB3 GLU A 43 -9.327 9.029 3.153 1.00 1.00 H new ATOM 0 HG2 GLU A 43 -11.830 7.610 4.201 1.00 1.00 H new ATOM 0 HG3 GLU A 43 -11.153 9.067 4.900 1.00 1.00 H new ATOM 647 N PHE A 44 -8.087 5.741 2.111 1.00 1.00 N ATOM 648 CA PHE A 44 -6.762 5.326 1.670 1.00 1.00 C ATOM 649 C PHE A 44 -6.811 4.861 0.222 1.00 1.00 C ATOM 650 O PHE A 44 -6.014 5.295 -0.611 1.00 1.00 O ATOM 651 CB PHE A 44 -6.245 4.188 2.580 1.00 1.00 C ATOM 652 CG PHE A 44 -4.995 3.490 1.994 1.00 1.00 C ATOM 653 CD1 PHE A 44 -4.013 4.248 1.346 1.00 1.00 C ATOM 654 CD2 PHE A 44 -4.850 2.100 2.088 1.00 1.00 C ATOM 655 CE1 PHE A 44 -2.888 3.623 0.794 1.00 1.00 C ATOM 656 CE2 PHE A 44 -3.728 1.471 1.536 1.00 1.00 C ATOM 657 CZ PHE A 44 -2.746 2.232 0.890 1.00 1.00 C ATOM 0 H PHE A 44 -8.539 5.102 2.765 1.00 1.00 H new ATOM 0 HA PHE A 44 -6.081 6.174 1.738 1.00 1.00 H new ATOM 0 HB2 PHE A 44 -6.005 4.593 3.563 1.00 1.00 H new ATOM 0 HB3 PHE A 44 -7.036 3.452 2.723 1.00 1.00 H new ATOM 0 HD1 PHE A 44 -4.123 5.320 1.271 1.00 1.00 H new ATOM 0 HD2 PHE A 44 -5.606 1.512 2.588 1.00 1.00 H new ATOM 0 HE1 PHE A 44 -2.132 4.211 0.296 1.00 1.00 H new ATOM 0 HE2 PHE A 44 -3.620 0.399 1.608 1.00 1.00 H new ATOM 0 HZ PHE A 44 -1.879 1.747 0.466 1.00 1.00 H new ATOM 667 N ILE A 45 -7.745 3.958 -0.063 1.00 1.00 N ATOM 668 CA ILE A 45 -7.889 3.410 -1.412 1.00 1.00 C ATOM 669 C ILE A 45 -8.121 4.553 -2.388 1.00 1.00 C ATOM 670 O ILE A 45 -7.779 4.464 -3.560 1.00 1.00 O ATOM 671 CB ILE A 45 -9.074 2.394 -1.469 1.00 1.00 C ATOM 672 CG1 ILE A 45 -8.662 1.060 -0.778 1.00 1.00 C ATOM 673 CG2 ILE A 45 -9.493 2.093 -2.948 1.00 1.00 C ATOM 674 CD1 ILE A 45 -8.338 1.277 0.712 1.00 1.00 C ATOM 0 H ILE A 45 -8.411 3.591 0.617 1.00 1.00 H new ATOM 0 HA ILE A 45 -6.978 2.877 -1.685 1.00 1.00 H new ATOM 0 HB ILE A 45 -9.921 2.840 -0.949 1.00 1.00 H new ATOM 0 HG12 ILE A 45 -9.469 0.334 -0.875 1.00 1.00 H new ATOM 0 HG13 ILE A 45 -7.793 0.640 -1.284 1.00 1.00 H new ATOM 0 HG21 ILE A 45 -10.320 1.383 -2.955 1.00 1.00 H new ATOM 0 HG22 ILE A 45 -9.805 3.018 -3.433 1.00 1.00 H new ATOM 0 HG23 ILE A 45 -8.646 1.669 -3.487 1.00 1.00 H new ATOM 0 HD11 ILE A 45 -8.054 0.327 1.165 1.00 1.00 H new ATOM 0 HD12 ILE A 45 -7.514 1.984 0.806 1.00 1.00 H new ATOM 0 HD13 ILE A 45 -9.216 1.674 1.221 1.00 1.00 H new ATOM 686 N ASP A 46 -8.720 5.617 -1.885 1.00 1.00 N ATOM 687 CA ASP A 46 -9.024 6.774 -2.717 1.00 1.00 C ATOM 688 C ASP A 46 -7.751 7.516 -3.097 1.00 1.00 C ATOM 689 O ASP A 46 -7.662 8.087 -4.183 1.00 1.00 O ATOM 690 CB ASP A 46 -9.972 7.716 -1.960 1.00 1.00 C ATOM 691 CG ASP A 46 -11.295 7.007 -1.666 1.00 1.00 C ATOM 692 OD1 ASP A 46 -11.675 6.157 -2.454 1.00 1.00 O ATOM 693 OD2 ASP A 46 -11.897 7.323 -0.654 1.00 1.00 O ATOM 0 H ASP A 46 -9.006 5.707 -0.910 1.00 1.00 H new ATOM 0 HA ASP A 46 -9.505 6.429 -3.632 1.00 1.00 H new ATOM 0 HB2 ASP A 46 -9.508 8.038 -1.028 1.00 1.00 H new ATOM 0 HB3 ASP A 46 -10.155 8.613 -2.552 1.00 1.00 H new ATOM 698 N TYR A 47 -6.770 7.528 -2.197 1.00 1.00 N ATOM 699 CA TYR A 47 -5.518 8.237 -2.466 1.00 1.00 C ATOM 700 C TYR A 47 -4.693 7.546 -3.559 1.00 1.00 C ATOM 701 O TYR A 47 -4.265 8.180 -4.522 1.00 1.00 O ATOM 702 CB TYR A 47 -4.682 8.329 -1.175 1.00 1.00 C ATOM 703 CG TYR A 47 -3.423 9.142 -1.464 1.00 1.00 C ATOM 704 CD1 TYR A 47 -3.502 10.538 -1.529 1.00 1.00 C ATOM 705 CD2 TYR A 47 -2.201 8.500 -1.703 1.00 1.00 C ATOM 706 CE1 TYR A 47 -2.364 11.293 -1.834 1.00 1.00 C ATOM 707 CE2 TYR A 47 -1.060 9.252 -2.008 1.00 1.00 C ATOM 708 CZ TYR A 47 -1.143 10.648 -2.073 1.00 1.00 C ATOM 709 OH TYR A 47 -0.021 11.392 -2.362 1.00 1.00 O ATOM 0 H TYR A 47 -6.814 7.064 -1.290 1.00 1.00 H new ATOM 0 HA TYR A 47 -5.775 9.236 -2.819 1.00 1.00 H new ATOM 0 HB2 TYR A 47 -5.262 8.800 -0.382 1.00 1.00 H new ATOM 0 HB3 TYR A 47 -4.416 7.332 -0.825 1.00 1.00 H new ATOM 0 HD1 TYR A 47 -4.443 11.034 -1.343 1.00 1.00 H new ATOM 0 HD2 TYR A 47 -2.139 7.423 -1.652 1.00 1.00 H new ATOM 0 HE1 TYR A 47 -2.426 12.370 -1.885 1.00 1.00 H new ATOM 0 HE2 TYR A 47 -0.118 8.756 -2.193 1.00 1.00 H new ATOM 0 HH TYR A 47 0.759 10.990 -1.927 1.00 1.00 H new ATOM 719 N ILE A 48 -4.458 6.251 -3.387 1.00 1.00 N ATOM 720 CA ILE A 48 -3.660 5.469 -4.348 1.00 1.00 C ATOM 721 C ILE A 48 -4.400 5.361 -5.672 1.00 1.00 C ATOM 722 O ILE A 48 -3.794 5.430 -6.740 1.00 1.00 O ATOM 723 CB ILE A 48 -3.315 4.035 -3.770 1.00 1.00 C ATOM 724 CG1 ILE A 48 -4.245 3.706 -2.572 1.00 1.00 C ATOM 725 CG2 ILE A 48 -1.839 3.967 -3.311 1.00 1.00 C ATOM 726 CD1 ILE A 48 -4.132 2.227 -2.184 1.00 1.00 C ATOM 0 H ILE A 48 -4.805 5.712 -2.594 1.00 1.00 H new ATOM 0 HA ILE A 48 -2.717 5.988 -4.518 1.00 1.00 H new ATOM 0 HB ILE A 48 -3.469 3.303 -4.563 1.00 1.00 H new ATOM 0 HG12 ILE A 48 -3.981 4.331 -1.719 1.00 1.00 H new ATOM 0 HG13 ILE A 48 -5.277 3.940 -2.832 1.00 1.00 H new ATOM 0 HG21 ILE A 48 -1.626 2.973 -2.918 1.00 1.00 H new ATOM 0 HG22 ILE A 48 -1.185 4.170 -4.159 1.00 1.00 H new ATOM 0 HG23 ILE A 48 -1.665 4.710 -2.532 1.00 1.00 H new ATOM 0 HD11 ILE A 48 -4.793 2.020 -1.342 1.00 1.00 H new ATOM 0 HD12 ILE A 48 -4.419 1.605 -3.032 1.00 1.00 H new ATOM 0 HD13 ILE A 48 -3.103 2.003 -1.902 1.00 1.00 H new ATOM 738 N HIS A 49 -5.707 5.177 -5.598 1.00 1.00 N ATOM 739 CA HIS A 49 -6.519 5.032 -6.798 1.00 1.00 C ATOM 740 C HIS A 49 -6.410 6.248 -7.675 1.00 1.00 C ATOM 741 O HIS A 49 -6.794 6.211 -8.844 1.00 1.00 O ATOM 742 CB HIS A 49 -7.979 4.763 -6.384 1.00 1.00 C ATOM 743 CG HIS A 49 -8.902 4.746 -7.572 1.00 1.00 C ATOM 744 ND1 HIS A 49 -9.008 3.655 -8.417 1.00 1.00 N ATOM 745 CD2 HIS A 49 -9.784 5.683 -8.057 1.00 1.00 C ATOM 746 CE1 HIS A 49 -9.920 3.960 -9.355 1.00 1.00 C ATOM 747 NE2 HIS A 49 -10.427 5.184 -9.188 1.00 1.00 N ATOM 0 H HIS A 49 -6.229 5.124 -4.723 1.00 1.00 H new ATOM 0 HA HIS A 49 -6.154 4.188 -7.384 1.00 1.00 H new ATOM 0 HB2 HIS A 49 -8.039 3.807 -5.863 1.00 1.00 H new ATOM 0 HB3 HIS A 49 -8.305 5.530 -5.681 1.00 1.00 H new ATOM 0 HD2 HIS A 49 -9.953 6.659 -7.626 1.00 1.00 H new ATOM 0 HE1 HIS A 49 -10.210 3.292 -10.153 1.00 1.00 H new ATOM 0 HE2 HIS A 49 -11.130 5.651 -9.762 1.00 1.00 H new ATOM 756 N SER A 50 -5.867 7.314 -7.123 1.00 1.00 N ATOM 757 CA SER A 50 -5.680 8.531 -7.858 1.00 1.00 C ATOM 758 C SER A 50 -4.251 8.578 -8.387 1.00 1.00 C ATOM 759 O SER A 50 -3.686 7.576 -8.836 1.00 1.00 O ATOM 760 CB SER A 50 -5.996 9.714 -6.929 1.00 1.00 C ATOM 761 OG SER A 50 -6.000 10.914 -7.688 1.00 1.00 O ATOM 0 H SER A 50 -5.547 7.353 -6.155 1.00 1.00 H new ATOM 0 HA SER A 50 -6.350 8.585 -8.716 1.00 1.00 H new ATOM 0 HB2 SER A 50 -6.965 9.568 -6.451 1.00 1.00 H new ATOM 0 HB3 SER A 50 -5.254 9.775 -6.133 1.00 1.00 H new ATOM 0 HG SER A 50 -6.203 11.672 -7.101 1.00 1.00 H new ATOM 767 N LYS A 51 -3.715 9.758 -8.369 1.00 1.00 N ATOM 768 CA LYS A 51 -2.369 10.052 -8.882 1.00 1.00 C ATOM 769 C LYS A 51 -2.193 9.442 -10.264 1.00 1.00 C ATOM 770 O LYS A 51 -3.166 8.991 -10.867 1.00 1.00 O ATOM 771 CB LYS A 51 -1.311 9.497 -7.926 1.00 1.00 C ATOM 772 CG LYS A 51 -1.456 10.132 -6.527 1.00 1.00 C ATOM 773 CD LYS A 51 -1.196 11.676 -6.568 1.00 1.00 C ATOM 774 CE LYS A 51 -0.816 12.202 -5.177 1.00 1.00 C ATOM 775 NZ LYS A 51 0.500 11.627 -4.797 1.00 1.00 N ATOM 0 H LYS A 51 -4.193 10.577 -7.994 1.00 1.00 H new ATOM 0 HA LYS A 51 -2.247 11.133 -8.955 1.00 1.00 H new ATOM 0 HB2 LYS A 51 -1.412 8.414 -7.852 1.00 1.00 H new ATOM 0 HB3 LYS A 51 -0.315 9.698 -8.321 1.00 1.00 H new ATOM 0 HG2 LYS A 51 -2.457 9.941 -6.141 1.00 1.00 H new ATOM 0 HG3 LYS A 51 -0.754 9.662 -5.838 1.00 1.00 H new ATOM 0 HD2 LYS A 51 -0.397 11.896 -7.276 1.00 1.00 H new ATOM 0 HD3 LYS A 51 -2.088 12.190 -6.925 1.00 1.00 H new ATOM 0 HE2 LYS A 51 -0.765 13.291 -5.185 1.00 1.00 H new ATOM 0 HE3 LYS A 51 -1.576 11.924 -4.447 1.00 1.00 H new ATOM 0 HZ1 LYS A 51 0.462 11.293 -3.813 1.00 1.00 H new ATOM 0 HZ2 LYS A 51 0.725 10.829 -5.425 1.00 1.00 H new ATOM 0 HZ3 LYS A 51 1.236 12.356 -4.886 1.00 1.00 H new ATOM 789 N LYS A 52 -0.958 9.444 -10.772 1.00 1.00 N ATOM 790 CA LYS A 52 -0.649 8.880 -12.096 1.00 1.00 C ATOM 791 C LYS A 52 0.560 7.958 -12.009 1.00 1.00 C ATOM 792 O LYS A 52 1.394 8.085 -11.112 1.00 1.00 O ATOM 793 CB LYS A 52 -0.392 10.008 -13.103 1.00 1.00 C ATOM 794 CG LYS A 52 0.746 10.926 -12.614 1.00 1.00 C ATOM 795 CD LYS A 52 1.046 12.013 -13.670 1.00 1.00 C ATOM 796 CE LYS A 52 -0.141 12.996 -13.819 1.00 1.00 C ATOM 797 NZ LYS A 52 0.330 14.215 -14.520 1.00 1.00 N ATOM 0 H LYS A 52 -0.149 9.831 -10.286 1.00 1.00 H new ATOM 0 HA LYS A 52 -1.504 8.296 -12.437 1.00 1.00 H new ATOM 0 HB2 LYS A 52 -0.133 9.584 -14.073 1.00 1.00 H new ATOM 0 HB3 LYS A 52 -1.302 10.592 -13.243 1.00 1.00 H new ATOM 0 HG2 LYS A 52 0.466 11.393 -11.670 1.00 1.00 H new ATOM 0 HG3 LYS A 52 1.643 10.336 -12.424 1.00 1.00 H new ATOM 0 HD2 LYS A 52 1.943 12.563 -13.384 1.00 1.00 H new ATOM 0 HD3 LYS A 52 1.254 11.542 -14.631 1.00 1.00 H new ATOM 0 HE2 LYS A 52 -0.950 12.528 -14.379 1.00 1.00 H new ATOM 0 HE3 LYS A 52 -0.541 13.256 -12.839 1.00 1.00 H new ATOM 0 HZ1 LYS A 52 -0.461 14.882 -14.625 1.00 1.00 H new ATOM 0 HZ2 LYS A 52 1.089 14.662 -13.967 1.00 1.00 H new ATOM 0 HZ3 LYS A 52 0.692 13.957 -15.460 1.00 1.00 H new ATOM 811 N VAL A 53 0.632 7.019 -12.942 1.00 1.00 N ATOM 812 CA VAL A 53 1.723 6.050 -12.976 1.00 1.00 C ATOM 813 C VAL A 53 3.076 6.751 -13.123 1.00 1.00 C ATOM 814 O VAL A 53 3.200 7.749 -13.833 1.00 1.00 O ATOM 815 CB VAL A 53 1.520 5.062 -14.146 1.00 1.00 C ATOM 816 CG1 VAL A 53 2.557 3.924 -14.063 1.00 1.00 C ATOM 817 CG2 VAL A 53 0.100 4.469 -14.077 1.00 1.00 C ATOM 0 H VAL A 53 -0.054 6.906 -13.689 1.00 1.00 H new ATOM 0 HA VAL A 53 1.717 5.503 -12.033 1.00 1.00 H new ATOM 0 HB VAL A 53 1.650 5.594 -15.088 1.00 1.00 H new ATOM 0 HG11 VAL A 53 2.406 3.233 -14.892 1.00 1.00 H new ATOM 0 HG12 VAL A 53 3.562 4.343 -14.118 1.00 1.00 H new ATOM 0 HG13 VAL A 53 2.438 3.391 -13.120 1.00 1.00 H new ATOM 0 HG21 VAL A 53 -0.044 3.772 -14.902 1.00 1.00 H new ATOM 0 HG22 VAL A 53 -0.029 3.943 -13.131 1.00 1.00 H new ATOM 0 HG23 VAL A 53 -0.634 5.272 -14.149 1.00 1.00 H new ATOM 827 N GLY A 54 4.086 6.205 -12.437 1.00 1.00 N ATOM 828 CA GLY A 54 5.457 6.745 -12.468 1.00 1.00 C ATOM 829 C GLY A 54 5.747 7.540 -11.206 1.00 1.00 C ATOM 830 O GLY A 54 6.904 7.751 -10.842 1.00 1.00 O ATOM 0 H GLY A 54 3.981 5.380 -11.846 1.00 1.00 H new ATOM 0 HA2 GLY A 54 6.173 5.929 -12.563 1.00 1.00 H new ATOM 0 HA3 GLY A 54 5.583 7.383 -13.343 1.00 1.00 H new ATOM 834 N ASP A 55 4.684 7.972 -10.535 1.00 1.00 N ATOM 835 CA ASP A 55 4.814 8.746 -9.304 1.00 1.00 C ATOM 836 C ASP A 55 5.522 7.924 -8.226 1.00 1.00 C ATOM 837 O ASP A 55 5.988 6.816 -8.484 1.00 1.00 O ATOM 838 CB ASP A 55 3.409 9.167 -8.832 1.00 1.00 C ATOM 839 CG ASP A 55 2.766 10.121 -9.846 1.00 1.00 C ATOM 840 OD1 ASP A 55 3.500 10.705 -10.625 1.00 1.00 O ATOM 841 OD2 ASP A 55 1.553 10.245 -9.827 1.00 1.00 O ATOM 0 H ASP A 55 3.721 7.799 -10.823 1.00 1.00 H new ATOM 0 HA ASP A 55 5.416 9.635 -9.492 1.00 1.00 H new ATOM 0 HB2 ASP A 55 2.782 8.285 -8.705 1.00 1.00 H new ATOM 0 HB3 ASP A 55 3.476 9.653 -7.859 1.00 1.00 H new ATOM 846 N THR A 56 5.594 8.479 -7.011 1.00 1.00 N ATOM 847 CA THR A 56 6.241 7.807 -5.874 1.00 1.00 C ATOM 848 C THR A 56 5.556 8.219 -4.580 1.00 1.00 C ATOM 849 O THR A 56 5.087 9.348 -4.449 1.00 1.00 O ATOM 850 CB THR A 56 7.724 8.187 -5.806 1.00 1.00 C ATOM 851 OG1 THR A 56 8.271 7.723 -4.579 1.00 1.00 O ATOM 852 CG2 THR A 56 7.881 9.710 -5.895 1.00 1.00 C ATOM 0 H THR A 56 5.210 9.397 -6.787 1.00 1.00 H new ATOM 0 HA THR A 56 6.155 6.729 -6.009 1.00 1.00 H new ATOM 0 HB THR A 56 8.252 7.727 -6.642 1.00 1.00 H new ATOM 0 HG1 THR A 56 9.220 7.963 -4.533 1.00 1.00 H new ATOM 0 HG21 THR A 56 8.938 9.970 -5.846 1.00 1.00 H new ATOM 0 HG22 THR A 56 7.464 10.064 -6.837 1.00 1.00 H new ATOM 0 HG23 THR A 56 7.353 10.179 -5.065 1.00 1.00 H new ATOM 860 N VAL A 57 5.480 7.286 -3.633 1.00 1.00 N ATOM 861 CA VAL A 57 4.822 7.526 -2.337 1.00 1.00 C ATOM 862 C VAL A 57 5.590 6.878 -1.195 1.00 1.00 C ATOM 863 O VAL A 57 6.448 6.027 -1.410 1.00 1.00 O ATOM 864 CB VAL A 57 3.380 6.976 -2.377 1.00 1.00 C ATOM 865 CG1 VAL A 57 2.536 7.795 -3.366 1.00 1.00 C ATOM 866 CG2 VAL A 57 3.399 5.498 -2.810 1.00 1.00 C ATOM 0 H VAL A 57 5.867 6.348 -3.734 1.00 1.00 H new ATOM 0 HA VAL A 57 4.802 8.601 -2.161 1.00 1.00 H new ATOM 0 HB VAL A 57 2.941 7.054 -1.383 1.00 1.00 H new ATOM 0 HG11 VAL A 57 1.520 7.402 -3.390 1.00 1.00 H new ATOM 0 HG12 VAL A 57 2.514 8.838 -3.049 1.00 1.00 H new ATOM 0 HG13 VAL A 57 2.974 7.727 -4.362 1.00 1.00 H new ATOM 0 HG21 VAL A 57 2.379 5.114 -2.837 1.00 1.00 H new ATOM 0 HG22 VAL A 57 3.844 5.415 -3.801 1.00 1.00 H new ATOM 0 HG23 VAL A 57 3.987 4.918 -2.098 1.00 1.00 H new ATOM 876 N LYS A 58 5.235 7.290 0.027 1.00 1.00 N ATOM 877 CA LYS A 58 5.829 6.768 1.263 1.00 1.00 C ATOM 878 C LYS A 58 4.719 6.134 2.101 1.00 1.00 C ATOM 879 O LYS A 58 3.757 6.809 2.465 1.00 1.00 O ATOM 880 CB LYS A 58 6.475 7.916 2.051 1.00 1.00 C ATOM 881 CG LYS A 58 7.236 7.361 3.268 1.00 1.00 C ATOM 882 CD LYS A 58 7.940 8.505 4.004 1.00 1.00 C ATOM 883 CE LYS A 58 8.722 7.945 5.195 1.00 1.00 C ATOM 884 NZ LYS A 58 7.775 7.280 6.133 1.00 1.00 N ATOM 0 H LYS A 58 4.521 8.001 0.187 1.00 1.00 H new ATOM 0 HA LYS A 58 6.593 6.027 1.027 1.00 1.00 H new ATOM 0 HB2 LYS A 58 7.158 8.470 1.407 1.00 1.00 H new ATOM 0 HB3 LYS A 58 5.709 8.617 2.381 1.00 1.00 H new ATOM 0 HG2 LYS A 58 6.544 6.854 3.941 1.00 1.00 H new ATOM 0 HG3 LYS A 58 7.967 6.620 2.945 1.00 1.00 H new ATOM 0 HD2 LYS A 58 8.615 9.026 3.325 1.00 1.00 H new ATOM 0 HD3 LYS A 58 7.207 9.235 4.348 1.00 1.00 H new ATOM 0 HE2 LYS A 58 9.472 7.233 4.851 1.00 1.00 H new ATOM 0 HE3 LYS A 58 9.255 8.747 5.705 1.00 1.00 H new ATOM 0 HZ1 LYS A 58 8.221 7.186 7.068 1.00 1.00 H new ATOM 0 HZ2 LYS A 58 6.911 7.852 6.218 1.00 1.00 H new ATOM 0 HZ3 LYS A 58 7.531 6.337 5.769 1.00 1.00 H new ATOM 898 N ILE A 59 4.854 4.836 2.385 1.00 1.00 N ATOM 899 CA ILE A 59 3.858 4.076 3.158 1.00 1.00 C ATOM 900 C ILE A 59 4.341 3.840 4.584 1.00 1.00 C ATOM 901 O ILE A 59 5.535 3.646 4.817 1.00 1.00 O ATOM 902 CB ILE A 59 3.555 2.714 2.447 1.00 1.00 C ATOM 903 CG1 ILE A 59 2.080 2.303 2.705 1.00 1.00 C ATOM 904 CG2 ILE A 59 4.496 1.575 2.945 1.00 1.00 C ATOM 905 CD1 ILE A 59 1.755 0.990 1.997 1.00 1.00 C ATOM 0 H ILE A 59 5.655 4.279 2.087 1.00 1.00 H new ATOM 0 HA ILE A 59 2.939 4.660 3.208 1.00 1.00 H new ATOM 0 HB ILE A 59 3.729 2.856 1.380 1.00 1.00 H new ATOM 0 HG12 ILE A 59 1.909 2.197 3.776 1.00 1.00 H new ATOM 0 HG13 ILE A 59 1.411 3.088 2.352 1.00 1.00 H new ATOM 0 HG21 ILE A 59 4.252 0.648 2.426 1.00 1.00 H new ATOM 0 HG22 ILE A 59 5.532 1.843 2.740 1.00 1.00 H new ATOM 0 HG23 ILE A 59 4.363 1.436 4.018 1.00 1.00 H new ATOM 0 HD11 ILE A 59 0.717 0.720 2.190 1.00 1.00 H new ATOM 0 HD12 ILE A 59 1.905 1.108 0.924 1.00 1.00 H new ATOM 0 HD13 ILE A 59 2.410 0.203 2.371 1.00 1.00 H new ATOM 917 N LYS A 60 3.395 3.806 5.523 1.00 1.00 N ATOM 918 CA LYS A 60 3.688 3.536 6.928 1.00 1.00 C ATOM 919 C LYS A 60 2.727 2.467 7.416 1.00 1.00 C ATOM 920 O LYS A 60 1.511 2.660 7.398 1.00 1.00 O ATOM 921 CB LYS A 60 3.541 4.828 7.725 1.00 1.00 C ATOM 922 CG LYS A 60 3.918 4.594 9.203 1.00 1.00 C ATOM 923 CD LYS A 60 3.982 5.928 9.977 1.00 1.00 C ATOM 924 CE LYS A 60 5.137 6.827 9.473 1.00 1.00 C ATOM 925 NZ LYS A 60 5.467 7.809 10.530 1.00 1.00 N ATOM 0 H LYS A 60 2.406 3.965 5.330 1.00 1.00 H new ATOM 0 HA LYS A 60 4.709 3.176 7.058 1.00 1.00 H new ATOM 0 HB2 LYS A 60 4.180 5.601 7.298 1.00 1.00 H new ATOM 0 HB3 LYS A 60 2.515 5.190 7.658 1.00 1.00 H new ATOM 0 HG2 LYS A 60 3.186 3.934 9.669 1.00 1.00 H new ATOM 0 HG3 LYS A 60 4.883 4.090 9.260 1.00 1.00 H new ATOM 0 HD2 LYS A 60 3.035 6.457 9.869 1.00 1.00 H new ATOM 0 HD3 LYS A 60 4.115 5.726 11.040 1.00 1.00 H new ATOM 0 HE2 LYS A 60 6.011 6.221 9.233 1.00 1.00 H new ATOM 0 HE3 LYS A 60 4.844 7.341 8.557 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 6.243 8.421 10.205 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 4.630 8.391 10.737 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 5.760 7.306 11.392 1.00 1.00 H new ATOM 939 N TYR A 61 3.285 1.315 7.814 1.00 1.00 N ATOM 940 CA TYR A 61 2.495 0.172 8.260 1.00 1.00 C ATOM 941 C TYR A 61 3.108 -0.448 9.506 1.00 1.00 C ATOM 942 O TYR A 61 4.256 -0.163 9.853 1.00 1.00 O ATOM 943 CB TYR A 61 2.393 -0.845 7.102 1.00 1.00 C ATOM 944 CG TYR A 61 3.726 -1.586 6.907 1.00 1.00 C ATOM 945 CD1 TYR A 61 4.771 -0.980 6.201 1.00 1.00 C ATOM 946 CD2 TYR A 61 3.904 -2.875 7.424 1.00 1.00 C ATOM 947 CE1 TYR A 61 5.984 -1.651 6.012 1.00 1.00 C ATOM 948 CE2 TYR A 61 5.116 -3.552 7.239 1.00 1.00 C ATOM 949 CZ TYR A 61 6.157 -2.940 6.532 1.00 1.00 C ATOM 950 OH TYR A 61 7.352 -3.604 6.343 1.00 1.00 O ATOM 0 H TYR A 61 4.292 1.155 7.834 1.00 1.00 H new ATOM 0 HA TYR A 61 1.490 0.496 8.530 1.00 1.00 H new ATOM 0 HB2 TYR A 61 1.600 -1.563 7.311 1.00 1.00 H new ATOM 0 HB3 TYR A 61 2.121 -0.329 6.181 1.00 1.00 H new ATOM 0 HD1 TYR A 61 4.640 0.014 5.799 1.00 1.00 H new ATOM 0 HD2 TYR A 61 3.102 -3.350 7.969 1.00 1.00 H new ATOM 0 HE1 TYR A 61 6.786 -1.176 5.466 1.00 1.00 H new ATOM 0 HE2 TYR A 61 5.247 -4.546 7.642 1.00 1.00 H new ATOM 0 HH TYR A 61 7.370 -3.995 5.445 1.00 1.00 H new ATOM 960 N LYS A 62 2.317 -1.294 10.171 1.00 1.00 N ATOM 961 CA LYS A 62 2.741 -1.979 11.398 1.00 1.00 C ATOM 962 C LYS A 62 2.669 -3.487 11.217 1.00 1.00 C ATOM 963 O LYS A 62 1.714 -4.007 10.636 1.00 1.00 O ATOM 964 CB LYS A 62 1.825 -1.575 12.561 1.00 1.00 C ATOM 965 CG LYS A 62 1.939 -0.065 12.798 1.00 1.00 C ATOM 966 CD LYS A 62 1.080 0.343 14.003 1.00 1.00 C ATOM 967 CE LYS A 62 1.222 1.854 14.256 1.00 1.00 C ATOM 968 NZ LYS A 62 2.612 2.145 14.708 1.00 1.00 N ATOM 0 H LYS A 62 1.368 -1.524 9.877 1.00 1.00 H new ATOM 0 HA LYS A 62 3.769 -1.690 11.615 1.00 1.00 H new ATOM 0 HB2 LYS A 62 0.793 -1.842 12.335 1.00 1.00 H new ATOM 0 HB3 LYS A 62 2.104 -2.118 13.464 1.00 1.00 H new ATOM 0 HG2 LYS A 62 2.980 0.206 12.974 1.00 1.00 H new ATOM 0 HG3 LYS A 62 1.615 0.477 11.909 1.00 1.00 H new ATOM 0 HD2 LYS A 62 0.035 0.092 13.818 1.00 1.00 H new ATOM 0 HD3 LYS A 62 1.390 -0.214 14.887 1.00 1.00 H new ATOM 0 HE2 LYS A 62 0.999 2.410 13.346 1.00 1.00 H new ATOM 0 HE3 LYS A 62 0.506 2.178 15.011 1.00 1.00 H new ATOM 0 HZ1 LYS A 62 2.691 3.150 14.962 1.00 1.00 H new ATOM 0 HZ2 LYS A 62 2.837 1.560 15.538 1.00 1.00 H new ATOM 0 HZ3 LYS A 62 3.279 1.928 13.940 1.00 1.00 H new ATOM 982 N HIS A 63 3.682 -4.185 11.744 1.00 1.00 N ATOM 983 CA HIS A 63 3.749 -5.648 11.690 1.00 1.00 C ATOM 984 C HIS A 63 4.053 -6.192 13.084 1.00 1.00 C ATOM 985 O HIS A 63 5.203 -6.178 13.530 1.00 1.00 O ATOM 986 CB HIS A 63 4.829 -6.078 10.688 1.00 1.00 C ATOM 987 CG HIS A 63 4.809 -7.574 10.534 1.00 1.00 C ATOM 988 ND1 HIS A 63 3.697 -8.244 10.053 1.00 1.00 N ATOM 989 CD2 HIS A 63 5.740 -8.546 10.818 1.00 1.00 C ATOM 990 CE1 HIS A 63 3.983 -9.558 10.060 1.00 1.00 C ATOM 991 NE2 HIS A 63 5.214 -9.802 10.515 1.00 1.00 N ATOM 0 H HIS A 63 4.475 -3.752 12.218 1.00 1.00 H new ATOM 0 HA HIS A 63 2.792 -6.052 11.359 1.00 1.00 H new ATOM 0 HB2 HIS A 63 4.655 -5.601 9.724 1.00 1.00 H new ATOM 0 HB3 HIS A 63 5.810 -5.751 11.033 1.00 1.00 H new ATOM 0 HD1 HIS A 63 2.821 -7.819 9.749 1.00 1.00 H new ATOM 0 HD2 HIS A 63 6.728 -8.364 11.215 1.00 1.00 H new ATOM 0 HE1 HIS A 63 3.297 -10.326 9.735 1.00 1.00 H new ATOM 1000 N GLY A 64 3.022 -6.679 13.765 1.00 1.00 N ATOM 1001 CA GLY A 64 3.199 -7.233 15.100 1.00 1.00 C ATOM 1002 C GLY A 64 3.737 -6.173 16.057 1.00 1.00 C ATOM 1003 O GLY A 64 3.028 -5.230 16.404 1.00 1.00 O ATOM 0 H GLY A 64 2.063 -6.701 13.418 1.00 1.00 H new ATOM 0 HA2 GLY A 64 2.247 -7.615 15.470 1.00 1.00 H new ATOM 0 HA3 GLY A 64 3.887 -8.077 15.060 1.00 1.00 H new ATOM 1007 N ASN A 65 5.004 -6.338 16.480 1.00 1.00 N ATOM 1008 CA ASN A 65 5.661 -5.397 17.411 1.00 1.00 C ATOM 1009 C ASN A 65 6.802 -4.640 16.727 1.00 1.00 C ATOM 1010 O ASN A 65 7.623 -4.014 17.397 1.00 1.00 O ATOM 1011 CB ASN A 65 6.206 -6.172 18.623 1.00 1.00 C ATOM 1012 CG ASN A 65 6.726 -5.201 19.684 1.00 1.00 C ATOM 1013 OD1 ASN A 65 7.816 -5.375 20.229 1.00 1.00 O ATOM 1014 ND2 ASN A 65 6.002 -4.165 20.013 1.00 1.00 N ATOM 0 H ASN A 65 5.596 -7.117 16.191 1.00 1.00 H new ATOM 0 HA ASN A 65 4.921 -4.667 17.738 1.00 1.00 H new ATOM 0 HB2 ASN A 65 5.420 -6.797 19.047 1.00 1.00 H new ATOM 0 HB3 ASN A 65 7.008 -6.839 18.306 1.00 1.00 H new ATOM 0 HD21 ASN A 65 6.341 -3.508 20.716 1.00 1.00 H new ATOM 0 HD22 ASN A 65 5.098 -4.012 19.567 1.00 1.00 H new ATOM 1021 N LYS A 66 6.852 -4.709 15.394 1.00 1.00 N ATOM 1022 CA LYS A 66 7.905 -4.029 14.614 1.00 1.00 C ATOM 1023 C LYS A 66 7.289 -3.216 13.476 1.00 1.00 C ATOM 1024 O LYS A 66 6.682 -3.776 12.565 1.00 1.00 O ATOM 1025 CB LYS A 66 8.862 -5.082 14.037 1.00 1.00 C ATOM 1026 CG LYS A 66 10.050 -4.405 13.314 1.00 1.00 C ATOM 1027 CD LYS A 66 11.076 -5.466 12.867 1.00 1.00 C ATOM 1028 CE LYS A 66 10.447 -6.472 11.862 1.00 1.00 C ATOM 1029 NZ LYS A 66 9.793 -7.574 12.620 1.00 1.00 N ATOM 0 H LYS A 66 6.180 -5.226 14.828 1.00 1.00 H new ATOM 0 HA LYS A 66 8.450 -3.349 15.269 1.00 1.00 H new ATOM 0 HB2 LYS A 66 9.234 -5.720 14.838 1.00 1.00 H new ATOM 0 HB3 LYS A 66 8.325 -5.725 13.340 1.00 1.00 H new ATOM 0 HG2 LYS A 66 9.689 -3.850 12.448 1.00 1.00 H new ATOM 0 HG3 LYS A 66 10.527 -3.685 13.979 1.00 1.00 H new ATOM 0 HD2 LYS A 66 11.933 -4.975 12.405 1.00 1.00 H new ATOM 0 HD3 LYS A 66 11.449 -6.004 13.738 1.00 1.00 H new ATOM 0 HE2 LYS A 66 9.717 -5.966 11.230 1.00 1.00 H new ATOM 0 HE3 LYS A 66 11.216 -6.874 11.202 1.00 1.00 H new ATOM 0 HZ1 LYS A 66 10.208 -8.484 12.336 1.00 1.00 H new ATOM 0 HZ2 LYS A 66 9.940 -7.429 13.639 1.00 1.00 H new ATOM 0 HZ3 LYS A 66 8.774 -7.579 12.415 1.00 1.00 H new ATOM 1043 N ASN A 67 7.462 -1.887 13.533 1.00 1.00 N ATOM 1044 CA ASN A 67 6.940 -0.981 12.510 1.00 1.00 C ATOM 1045 C ASN A 67 8.059 -0.578 11.562 1.00 1.00 C ATOM 1046 O ASN A 67 9.169 -0.267 11.995 1.00 1.00 O ATOM 1047 CB ASN A 67 6.363 0.271 13.181 1.00 1.00 C ATOM 1048 CG ASN A 67 5.329 -0.130 14.223 1.00 1.00 C ATOM 1049 OD1 ASN A 67 4.783 -1.232 14.184 1.00 1.00 O ATOM 1050 ND2 ASN A 67 5.013 0.710 15.170 1.00 1.00 N ATOM 0 H ASN A 67 7.965 -1.417 14.286 1.00 1.00 H new ATOM 0 HA ASN A 67 6.156 -1.487 11.947 1.00 1.00 H new ATOM 0 HB2 ASN A 67 7.163 0.844 13.651 1.00 1.00 H new ATOM 0 HB3 ASN A 67 5.906 0.918 12.432 1.00 1.00 H new ATOM 0 HD21 ASN A 67 4.318 0.451 15.870 1.00 1.00 H new ATOM 0 HD22 ASN A 67 5.461 1.626 15.210 1.00 1.00 H new ATOM 1057 N GLU A 68 7.762 -0.593 10.262 1.00 1.00 N ATOM 1058 CA GLU A 68 8.732 -0.239 9.220 1.00 1.00 C ATOM 1059 C GLU A 68 8.062 0.675 8.196 1.00 1.00 C ATOM 1060 O GLU A 68 6.838 0.811 8.175 1.00 1.00 O ATOM 1061 CB GLU A 68 9.222 -1.515 8.525 1.00 1.00 C ATOM 1062 CG GLU A 68 9.920 -2.430 9.544 1.00 1.00 C ATOM 1063 CD GLU A 68 10.433 -3.703 8.865 1.00 1.00 C ATOM 1064 OE1 GLU A 68 10.251 -3.841 7.667 1.00 1.00 O ATOM 1065 OE2 GLU A 68 11.005 -4.529 9.557 1.00 1.00 O ATOM 0 H GLU A 68 6.844 -0.850 9.900 1.00 1.00 H new ATOM 0 HA GLU A 68 9.580 0.277 9.669 1.00 1.00 H new ATOM 0 HB2 GLU A 68 8.381 -2.038 8.070 1.00 1.00 H new ATOM 0 HB3 GLU A 68 9.911 -1.260 7.720 1.00 1.00 H new ATOM 0 HG2 GLU A 68 10.751 -1.899 10.008 1.00 1.00 H new ATOM 0 HG3 GLU A 68 9.225 -2.692 10.341 1.00 1.00 H new ATOM 1072 N GLU A 69 8.884 1.298 7.352 1.00 1.00 N ATOM 1073 CA GLU A 69 8.401 2.216 6.311 1.00 1.00 C ATOM 1074 C GLU A 69 9.207 2.040 5.023 1.00 1.00 C ATOM 1075 O GLU A 69 10.420 1.833 5.055 1.00 1.00 O ATOM 1076 CB GLU A 69 8.482 3.678 6.805 1.00 1.00 C ATOM 1077 CG GLU A 69 9.923 4.079 7.203 1.00 1.00 C ATOM 1078 CD GLU A 69 10.386 3.305 8.438 1.00 1.00 C ATOM 1079 OE1 GLU A 69 9.554 3.001 9.277 1.00 1.00 O ATOM 1080 OE2 GLU A 69 11.569 3.022 8.533 1.00 1.00 O ATOM 0 H GLU A 69 9.898 1.184 7.367 1.00 1.00 H new ATOM 0 HA GLU A 69 7.359 1.979 6.098 1.00 1.00 H new ATOM 0 HB2 GLU A 69 8.124 4.345 6.021 1.00 1.00 H new ATOM 0 HB3 GLU A 69 7.820 3.808 7.661 1.00 1.00 H new ATOM 0 HG2 GLU A 69 10.601 3.884 6.372 1.00 1.00 H new ATOM 0 HG3 GLU A 69 9.964 5.150 7.404 1.00 1.00 H new ATOM 1087 N ALA A 70 8.510 2.100 3.891 1.00 1.00 N ATOM 1088 CA ALA A 70 9.135 1.925 2.581 1.00 1.00 C ATOM 1089 C ALA A 70 8.390 2.722 1.519 1.00 1.00 C ATOM 1090 O ALA A 70 7.200 3.000 1.653 1.00 1.00 O ATOM 1091 CB ALA A 70 9.139 0.444 2.209 1.00 1.00 C ATOM 0 H ALA A 70 7.505 2.270 3.854 1.00 1.00 H new ATOM 0 HA ALA A 70 10.160 2.291 2.632 1.00 1.00 H new ATOM 0 HB1 ALA A 70 9.605 0.315 1.232 1.00 1.00 H new ATOM 0 HB2 ALA A 70 9.701 -0.117 2.956 1.00 1.00 H new ATOM 0 HB3 ALA A 70 8.114 0.075 2.173 1.00 1.00 H new ATOM 1097 N SER A 71 9.117 3.071 0.458 1.00 1.00 N ATOM 1098 CA SER A 71 8.561 3.828 -0.677 1.00 1.00 C ATOM 1099 C SER A 71 8.611 2.967 -1.930 1.00 1.00 C ATOM 1100 O SER A 71 9.570 2.228 -2.143 1.00 1.00 O ATOM 1101 CB SER A 71 9.347 5.120 -0.897 1.00 1.00 C ATOM 1102 OG SER A 71 9.347 5.869 0.309 1.00 1.00 O ATOM 0 H SER A 71 10.105 2.841 0.355 1.00 1.00 H new ATOM 0 HA SER A 71 7.526 4.090 -0.456 1.00 1.00 H new ATOM 0 HB2 SER A 71 10.369 4.893 -1.199 1.00 1.00 H new ATOM 0 HB3 SER A 71 8.898 5.702 -1.702 1.00 1.00 H new ATOM 0 HG SER A 71 9.850 6.700 0.178 1.00 1.00 H new ATOM 1108 N ILE A 72 7.548 3.037 -2.738 1.00 1.00 N ATOM 1109 CA ILE A 72 7.433 2.236 -3.960 1.00 1.00 C ATOM 1110 C ILE A 72 6.902 3.084 -5.103 1.00 1.00 C ATOM 1111 O ILE A 72 6.085 3.983 -4.908 1.00 1.00 O ATOM 1112 CB ILE A 72 6.471 1.036 -3.699 1.00 1.00 C ATOM 1113 CG1 ILE A 72 5.216 1.499 -2.844 1.00 1.00 C ATOM 1114 CG2 ILE A 72 7.245 -0.116 -3.019 1.00 1.00 C ATOM 1115 CD1 ILE A 72 5.423 1.328 -1.323 1.00 1.00 C ATOM 0 H ILE A 72 6.748 3.646 -2.565 1.00 1.00 H new ATOM 0 HA ILE A 72 8.419 1.863 -4.236 1.00 1.00 H new ATOM 0 HB ILE A 72 6.088 0.666 -4.650 1.00 1.00 H new ATOM 0 HG12 ILE A 72 5.003 2.546 -3.060 1.00 1.00 H new ATOM 0 HG13 ILE A 72 4.342 0.925 -3.153 1.00 1.00 H new ATOM 0 HG21 ILE A 72 6.569 -0.952 -2.839 1.00 1.00 H new ATOM 0 HG22 ILE A 72 8.058 -0.441 -3.668 1.00 1.00 H new ATOM 0 HG23 ILE A 72 7.654 0.231 -2.070 1.00 1.00 H new ATOM 0 HD11 ILE A 72 4.530 1.662 -0.794 1.00 1.00 H new ATOM 0 HD12 ILE A 72 5.607 0.278 -1.097 1.00 1.00 H new ATOM 0 HD13 ILE A 72 6.278 1.923 -1.003 1.00 1.00 H new ATOM 1127 N LYS A 73 7.366 2.766 -6.306 1.00 1.00 N ATOM 1128 CA LYS A 73 6.946 3.466 -7.505 1.00 1.00 C ATOM 1129 C LYS A 73 5.621 2.899 -7.988 1.00 1.00 C ATOM 1130 O LYS A 73 5.411 1.689 -7.957 1.00 1.00 O ATOM 1131 CB LYS A 73 8.016 3.295 -8.591 1.00 1.00 C ATOM 1132 CG LYS A 73 7.637 4.094 -9.858 1.00 1.00 C ATOM 1133 CD LYS A 73 8.798 4.081 -10.869 1.00 1.00 C ATOM 1134 CE LYS A 73 9.106 2.644 -11.351 1.00 1.00 C ATOM 1135 NZ LYS A 73 9.914 2.716 -12.594 1.00 1.00 N ATOM 0 H LYS A 73 8.040 2.019 -6.473 1.00 1.00 H new ATOM 0 HA LYS A 73 6.820 4.526 -7.287 1.00 1.00 H new ATOM 0 HB2 LYS A 73 8.981 3.635 -8.215 1.00 1.00 H new ATOM 0 HB3 LYS A 73 8.125 2.239 -8.839 1.00 1.00 H new ATOM 0 HG2 LYS A 73 6.745 3.664 -10.314 1.00 1.00 H new ATOM 0 HG3 LYS A 73 7.393 5.122 -9.588 1.00 1.00 H new ATOM 0 HD2 LYS A 73 8.545 4.708 -11.724 1.00 1.00 H new ATOM 0 HD3 LYS A 73 9.688 4.512 -10.410 1.00 1.00 H new ATOM 0 HE2 LYS A 73 9.648 2.096 -10.580 1.00 1.00 H new ATOM 0 HE3 LYS A 73 8.179 2.101 -11.535 1.00 1.00 H new ATOM 0 HZ1 LYS A 73 10.126 1.754 -12.926 1.00 1.00 H new ATOM 0 HZ2 LYS A 73 9.379 3.225 -13.327 1.00 1.00 H new ATOM 0 HZ3 LYS A 73 10.803 3.220 -12.401 1.00 1.00 H new ATOM 1149 N LEU A 74 4.729 3.778 -8.417 1.00 1.00 N ATOM 1150 CA LEU A 74 3.417 3.360 -8.892 1.00 1.00 C ATOM 1151 C LEU A 74 3.536 2.567 -10.189 1.00 1.00 C ATOM 1152 O LEU A 74 4.414 2.816 -11.016 1.00 1.00 O ATOM 1153 CB LEU A 74 2.542 4.609 -9.107 1.00 1.00 C ATOM 1154 CG LEU A 74 1.967 5.133 -7.757 1.00 1.00 C ATOM 1155 CD1 LEU A 74 0.943 4.122 -7.130 1.00 1.00 C ATOM 1156 CD2 LEU A 74 3.127 5.415 -6.766 1.00 1.00 C ATOM 0 H LEU A 74 4.888 4.785 -8.447 1.00 1.00 H new ATOM 0 HA LEU A 74 2.956 2.712 -8.147 1.00 1.00 H new ATOM 0 HB2 LEU A 74 3.132 5.392 -9.582 1.00 1.00 H new ATOM 0 HB3 LEU A 74 1.723 4.370 -9.786 1.00 1.00 H new ATOM 0 HG LEU A 74 1.428 6.059 -7.956 1.00 1.00 H new ATOM 0 HD11 LEU A 74 0.565 4.523 -6.190 1.00 1.00 H new ATOM 0 HD12 LEU A 74 0.113 3.970 -7.820 1.00 1.00 H new ATOM 0 HD13 LEU A 74 1.439 3.170 -6.944 1.00 1.00 H new ATOM 0 HD21 LEU A 74 2.720 5.781 -5.824 1.00 1.00 H new ATOM 0 HD22 LEU A 74 3.685 4.496 -6.587 1.00 1.00 H new ATOM 0 HD23 LEU A 74 3.793 6.167 -7.190 1.00 1.00 H new ATOM 1168 N THR A 75 2.629 1.594 -10.344 1.00 1.00 N ATOM 1169 CA THR A 75 2.598 0.730 -11.524 1.00 1.00 C ATOM 1170 C THR A 75 1.163 0.453 -11.954 1.00 1.00 C ATOM 1171 O THR A 75 0.221 0.601 -11.174 1.00 1.00 O ATOM 1172 CB THR A 75 3.312 -0.593 -11.211 1.00 1.00 C ATOM 1173 OG1 THR A 75 2.566 -1.307 -10.236 1.00 1.00 O ATOM 1174 CG2 THR A 75 4.721 -0.307 -10.662 1.00 1.00 C ATOM 0 H THR A 75 1.902 1.387 -9.659 1.00 1.00 H new ATOM 0 HA THR A 75 3.110 1.238 -12.341 1.00 1.00 H new ATOM 0 HB THR A 75 3.393 -1.185 -12.123 1.00 1.00 H new ATOM 0 HG1 THR A 75 3.017 -2.153 -10.034 1.00 1.00 H new ATOM 0 HG21 THR A 75 5.224 -1.249 -10.441 1.00 1.00 H new ATOM 0 HG22 THR A 75 5.296 0.246 -11.405 1.00 1.00 H new ATOM 0 HG23 THR A 75 4.643 0.285 -9.750 1.00 1.00 H new ATOM 1182 N ALA A 76 1.014 0.043 -13.212 1.00 1.00 N ATOM 1183 CA ALA A 76 -0.300 -0.274 -13.775 1.00 1.00 C ATOM 1184 C ALA A 76 -0.718 -1.676 -13.338 1.00 1.00 C ATOM 1185 O ALA A 76 0.066 -2.621 -13.451 1.00 1.00 O ATOM 1186 CB ALA A 76 -0.228 -0.224 -15.302 1.00 1.00 C ATOM 0 H ALA A 76 1.789 -0.078 -13.864 1.00 1.00 H new ATOM 0 HA ALA A 76 -1.029 0.454 -13.419 1.00 1.00 H new ATOM 0 HB1 ALA A 76 -1.206 -0.460 -15.720 1.00 1.00 H new ATOM 0 HB2 ALA A 76 0.071 0.775 -15.620 1.00 1.00 H new ATOM 0 HB3 ALA A 76 0.503 -0.951 -15.656 1.00 1.00 H new ATOM 1192 N ILE A 77 -1.958 -1.805 -12.847 1.00 1.00 N ATOM 1193 CA ILE A 77 -2.502 -3.096 -12.388 1.00 1.00 C ATOM 1194 C ILE A 77 -3.779 -3.449 -13.138 1.00 1.00 C ATOM 1195 O ILE A 77 -3.953 -4.592 -13.564 1.00 1.00 O ATOM 1196 CB ILE A 77 -2.757 -3.033 -10.863 1.00 1.00 C ATOM 1197 CG1 ILE A 77 -3.812 -1.929 -10.528 1.00 1.00 C ATOM 1198 CG2 ILE A 77 -1.416 -2.733 -10.160 1.00 1.00 C ATOM 1199 CD1 ILE A 77 -3.932 -1.685 -9.011 1.00 1.00 C ATOM 0 H ILE A 77 -2.610 -1.026 -12.756 1.00 1.00 H new ATOM 0 HA ILE A 77 -1.775 -3.881 -12.596 1.00 1.00 H new ATOM 0 HB ILE A 77 -3.155 -3.986 -10.513 1.00 1.00 H new ATOM 0 HG12 ILE A 77 -3.533 -0.999 -11.024 1.00 1.00 H new ATOM 0 HG13 ILE A 77 -4.783 -2.223 -10.926 1.00 1.00 H new ATOM 0 HG21 ILE A 77 -1.573 -2.684 -9.082 1.00 1.00 H new ATOM 0 HG22 ILE A 77 -0.701 -3.524 -10.387 1.00 1.00 H new ATOM 0 HG23 ILE A 77 -1.025 -1.779 -10.513 1.00 1.00 H new ATOM 0 HD11 ILE A 77 -4.676 -0.910 -8.825 1.00 1.00 H new ATOM 0 HD12 ILE A 77 -4.237 -2.608 -8.517 1.00 1.00 H new ATOM 0 HD13 ILE A 77 -2.968 -1.364 -8.617 1.00 1.00 H new ATOM 1211 N ASP A 78 -4.679 -2.474 -13.291 1.00 1.00 N ATOM 1212 CA ASP A 78 -5.961 -2.696 -13.981 1.00 1.00 C ATOM 1213 C ASP A 78 -5.901 -2.191 -15.411 1.00 1.00 C ATOM 1214 O ASP A 78 -5.088 -1.333 -15.760 1.00 1.00 O ATOM 1215 CB ASP A 78 -7.103 -1.988 -13.226 1.00 1.00 C ATOM 1216 CG ASP A 78 -8.454 -2.309 -13.870 1.00 1.00 C ATOM 1217 OD1 ASP A 78 -8.940 -3.413 -13.683 1.00 1.00 O ATOM 1218 OD2 ASP A 78 -8.993 -1.456 -14.557 1.00 1.00 O ATOM 0 H ASP A 78 -4.547 -1.522 -12.948 1.00 1.00 H new ATOM 0 HA ASP A 78 -6.153 -3.769 -13.999 1.00 1.00 H new ATOM 0 HB2 ASP A 78 -7.107 -2.304 -12.183 1.00 1.00 H new ATOM 0 HB3 ASP A 78 -6.938 -0.911 -13.232 1.00 1.00 H new ATOM 1223 N LYS A 79 -6.779 -2.750 -16.232 1.00 1.00 N ATOM 1224 CA LYS A 79 -6.875 -2.407 -17.647 1.00 1.00 C ATOM 1225 C LYS A 79 -6.911 -0.895 -17.862 1.00 1.00 C ATOM 1226 O LYS A 79 -6.438 -0.391 -18.877 1.00 1.00 O ATOM 1227 CB LYS A 79 -8.160 -3.034 -18.227 1.00 1.00 C ATOM 1228 CG LYS A 79 -8.206 -4.562 -17.968 1.00 1.00 C ATOM 1229 CD LYS A 79 -7.040 -5.323 -18.706 1.00 1.00 C ATOM 1230 CE LYS A 79 -5.945 -5.767 -17.713 1.00 1.00 C ATOM 1231 NZ LYS A 79 -4.802 -6.330 -18.476 1.00 1.00 N ATOM 0 H LYS A 79 -7.450 -3.459 -15.935 1.00 1.00 H new ATOM 0 HA LYS A 79 -5.992 -2.796 -18.153 1.00 1.00 H new ATOM 0 HB2 LYS A 79 -9.033 -2.560 -17.778 1.00 1.00 H new ATOM 0 HB3 LYS A 79 -8.209 -2.843 -19.299 1.00 1.00 H new ATOM 0 HG2 LYS A 79 -8.140 -4.750 -16.896 1.00 1.00 H new ATOM 0 HG3 LYS A 79 -9.165 -4.957 -18.302 1.00 1.00 H new ATOM 0 HD2 LYS A 79 -7.441 -6.195 -19.222 1.00 1.00 H new ATOM 0 HD3 LYS A 79 -6.604 -4.675 -19.466 1.00 1.00 H new ATOM 0 HE2 LYS A 79 -5.616 -4.920 -17.112 1.00 1.00 H new ATOM 0 HE3 LYS A 79 -6.341 -6.512 -17.023 1.00 1.00 H new ATOM 0 HZ1 LYS A 79 -4.058 -6.632 -17.815 1.00 1.00 H new ATOM 0 HZ2 LYS A 79 -5.125 -7.148 -19.032 1.00 1.00 H new ATOM 0 HZ3 LYS A 79 -4.421 -5.605 -19.117 1.00 1.00 H new ATOM 1245 N LYS A 80 -7.498 -0.176 -16.910 1.00 1.00 N ATOM 1246 CA LYS A 80 -7.619 1.280 -17.015 1.00 1.00 C ATOM 1247 C LYS A 80 -6.339 1.979 -16.562 1.00 1.00 C ATOM 1248 O LYS A 80 -6.322 3.196 -16.377 1.00 1.00 O ATOM 1249 CB LYS A 80 -8.810 1.761 -16.177 1.00 1.00 C ATOM 1250 CG LYS A 80 -10.101 1.046 -16.638 1.00 1.00 C ATOM 1251 CD LYS A 80 -11.342 1.690 -15.987 1.00 1.00 C ATOM 1252 CE LYS A 80 -11.276 1.589 -14.446 1.00 1.00 C ATOM 1253 NZ LYS A 80 -10.833 0.221 -14.055 1.00 1.00 N ATOM 0 H LYS A 80 -7.897 -0.573 -16.059 1.00 1.00 H new ATOM 0 HA LYS A 80 -7.784 1.535 -18.062 1.00 1.00 H new ATOM 0 HB2 LYS A 80 -8.629 1.558 -15.122 1.00 1.00 H new ATOM 0 HB3 LYS A 80 -8.925 2.840 -16.279 1.00 1.00 H new ATOM 0 HG2 LYS A 80 -10.185 1.099 -17.723 1.00 1.00 H new ATOM 0 HG3 LYS A 80 -10.052 -0.010 -16.374 1.00 1.00 H new ATOM 0 HD2 LYS A 80 -11.410 2.737 -16.284 1.00 1.00 H new ATOM 0 HD3 LYS A 80 -12.244 1.196 -16.349 1.00 1.00 H new ATOM 0 HE2 LYS A 80 -10.584 2.333 -14.052 1.00 1.00 H new ATOM 0 HE3 LYS A 80 -12.254 1.803 -14.015 1.00 1.00 H new ATOM 0 HZ1 LYS A 80 -10.838 0.138 -13.018 1.00 1.00 H new ATOM 0 HZ2 LYS A 80 -11.481 -0.483 -14.462 1.00 1.00 H new ATOM 0 HZ3 LYS A 80 -9.871 0.053 -14.411 1.00 1.00 H new ATOM 1267 N GLY A 81 -5.263 1.208 -16.400 1.00 1.00 N ATOM 1268 CA GLY A 81 -3.979 1.775 -15.991 1.00 1.00 C ATOM 1269 C GLY A 81 -4.097 2.546 -14.688 1.00 1.00 C ATOM 1270 O GLY A 81 -3.611 3.671 -14.584 1.00 1.00 O ATOM 0 H GLY A 81 -5.255 0.198 -16.544 1.00 1.00 H new ATOM 0 HA2 GLY A 81 -3.248 0.975 -15.876 1.00 1.00 H new ATOM 0 HA3 GLY A 81 -3.607 2.437 -16.773 1.00 1.00 H new ATOM 1274 N THR A 82 -4.753 1.947 -13.688 1.00 1.00 N ATOM 1275 CA THR A 82 -4.924 2.623 -12.403 1.00 1.00 C ATOM 1276 C THR A 82 -3.635 2.506 -11.554 1.00 1.00 C ATOM 1277 O THR A 82 -3.238 1.395 -11.211 1.00 1.00 O ATOM 1278 CB THR A 82 -6.096 2.015 -11.611 1.00 1.00 C ATOM 1279 OG1 THR A 82 -7.292 2.211 -12.350 1.00 1.00 O ATOM 1280 CG2 THR A 82 -6.233 2.718 -10.235 1.00 1.00 C ATOM 0 H THR A 82 -5.165 1.016 -13.743 1.00 1.00 H new ATOM 0 HA THR A 82 -5.136 3.672 -12.610 1.00 1.00 H new ATOM 0 HB THR A 82 -5.913 0.952 -11.452 1.00 1.00 H new ATOM 0 HG1 THR A 82 -8.047 1.827 -11.858 1.00 1.00 H new ATOM 0 HG21 THR A 82 -7.065 2.280 -9.684 1.00 1.00 H new ATOM 0 HG22 THR A 82 -5.312 2.588 -9.666 1.00 1.00 H new ATOM 0 HG23 THR A 82 -6.418 3.781 -10.387 1.00 1.00 H new ATOM 1288 N PRO A 83 -3.000 3.598 -11.164 1.00 1.00 N ATOM 1289 CA PRO A 83 -1.779 3.532 -10.298 1.00 1.00 C ATOM 1290 C PRO A 83 -2.047 2.761 -8.992 1.00 1.00 C ATOM 1291 O PRO A 83 -3.032 3.016 -8.302 1.00 1.00 O ATOM 1292 CB PRO A 83 -1.465 5.025 -9.997 1.00 1.00 C ATOM 1293 CG PRO A 83 -2.105 5.789 -11.115 1.00 1.00 C ATOM 1294 CD PRO A 83 -3.345 4.993 -11.508 1.00 1.00 C ATOM 0 HA PRO A 83 -0.957 3.006 -10.783 1.00 1.00 H new ATOM 0 HB2 PRO A 83 -1.870 5.326 -9.031 1.00 1.00 H new ATOM 0 HB3 PRO A 83 -0.390 5.203 -9.962 1.00 1.00 H new ATOM 0 HG2 PRO A 83 -2.372 6.797 -10.797 1.00 1.00 H new ATOM 0 HG3 PRO A 83 -1.423 5.892 -11.959 1.00 1.00 H new ATOM 0 HD2 PRO A 83 -4.226 5.332 -10.963 1.00 1.00 H new ATOM 0 HD3 PRO A 83 -3.567 5.099 -12.570 1.00 1.00 H new ATOM 1302 N GLY A 84 -1.151 1.838 -8.658 1.00 1.00 N ATOM 1303 CA GLY A 84 -1.274 1.050 -7.426 1.00 1.00 C ATOM 1304 C GLY A 84 -0.549 -0.272 -7.564 1.00 1.00 C ATOM 1305 O GLY A 84 0.030 -0.563 -8.606 1.00 1.00 O ATOM 0 H GLY A 84 -0.330 1.614 -9.220 1.00 1.00 H new ATOM 0 HA2 GLY A 84 -0.862 1.611 -6.587 1.00 1.00 H new ATOM 0 HA3 GLY A 84 -2.327 0.872 -7.205 1.00 1.00 H new ATOM 1309 N ILE A 85 -0.585 -1.069 -6.492 1.00 1.00 N ATOM 1310 CA ILE A 85 0.074 -2.385 -6.449 1.00 1.00 C ATOM 1311 C ILE A 85 -0.983 -3.476 -6.595 1.00 1.00 C ATOM 1312 O ILE A 85 -2.169 -3.184 -6.769 1.00 1.00 O ATOM 1313 CB ILE A 85 0.877 -2.546 -5.108 1.00 1.00 C ATOM 1314 CG1 ILE A 85 0.140 -1.792 -3.931 1.00 1.00 C ATOM 1315 CG2 ILE A 85 2.336 -2.017 -5.280 1.00 1.00 C ATOM 1316 CD1 ILE A 85 0.527 -0.295 -3.849 1.00 1.00 C ATOM 0 H ILE A 85 -1.070 -0.824 -5.629 1.00 1.00 H new ATOM 0 HA ILE A 85 0.784 -2.471 -7.271 1.00 1.00 H new ATOM 0 HB ILE A 85 0.927 -3.605 -4.856 1.00 1.00 H new ATOM 0 HG12 ILE A 85 -0.938 -1.878 -4.068 1.00 1.00 H new ATOM 0 HG13 ILE A 85 0.381 -2.278 -2.986 1.00 1.00 H new ATOM 0 HG21 ILE A 85 2.879 -2.136 -4.342 1.00 1.00 H new ATOM 0 HG22 ILE A 85 2.838 -2.583 -6.064 1.00 1.00 H new ATOM 0 HG23 ILE A 85 2.311 -0.962 -5.554 1.00 1.00 H new ATOM 0 HD11 ILE A 85 -0.008 0.174 -3.023 1.00 1.00 H new ATOM 0 HD12 ILE A 85 1.601 -0.205 -3.683 1.00 1.00 H new ATOM 0 HD13 ILE A 85 0.261 0.201 -4.782 1.00 1.00 H new ATOM 1328 N GLY A 86 -0.548 -4.740 -6.525 1.00 1.00 N ATOM 1329 CA GLY A 86 -1.434 -5.895 -6.663 1.00 1.00 C ATOM 1330 C GLY A 86 -1.708 -6.525 -5.309 1.00 1.00 C ATOM 1331 O GLY A 86 -1.119 -7.548 -4.956 1.00 1.00 O ATOM 0 H GLY A 86 0.429 -4.988 -6.371 1.00 1.00 H new ATOM 0 HA2 GLY A 86 -2.373 -5.587 -7.123 1.00 1.00 H new ATOM 0 HA3 GLY A 86 -0.980 -6.631 -7.327 1.00 1.00 H new ATOM 1335 N ILE A 87 -2.607 -5.902 -4.557 1.00 1.00 N ATOM 1336 CA ILE A 87 -2.993 -6.376 -3.222 1.00 1.00 C ATOM 1337 C ILE A 87 -4.500 -6.259 -3.044 1.00 1.00 C ATOM 1338 O ILE A 87 -5.157 -5.522 -3.778 1.00 1.00 O ATOM 1339 CB ILE A 87 -2.282 -5.531 -2.144 1.00 1.00 C ATOM 1340 CG1 ILE A 87 -2.696 -4.035 -2.262 1.00 1.00 C ATOM 1341 CG2 ILE A 87 -0.757 -5.659 -2.321 1.00 1.00 C ATOM 1342 CD1 ILE A 87 -2.139 -3.239 -1.081 1.00 1.00 C ATOM 0 H ILE A 87 -3.092 -5.054 -4.850 1.00 1.00 H new ATOM 0 HA ILE A 87 -2.699 -7.421 -3.119 1.00 1.00 H new ATOM 0 HB ILE A 87 -2.573 -5.897 -1.159 1.00 1.00 H new ATOM 0 HG12 ILE A 87 -2.323 -3.620 -3.198 1.00 1.00 H new ATOM 0 HG13 ILE A 87 -3.783 -3.951 -2.286 1.00 1.00 H new ATOM 0 HG21 ILE A 87 -0.251 -5.063 -1.561 1.00 1.00 H new ATOM 0 HG22 ILE A 87 -0.465 -6.704 -2.217 1.00 1.00 H new ATOM 0 HG23 ILE A 87 -0.474 -5.300 -3.311 1.00 1.00 H new ATOM 0 HD11 ILE A 87 -2.435 -2.194 -1.174 1.00 1.00 H new ATOM 0 HD12 ILE A 87 -2.533 -3.646 -0.150 1.00 1.00 H new ATOM 0 HD13 ILE A 87 -1.051 -3.309 -1.076 1.00 1.00 H new ATOM 1354 N THR A 88 -5.022 -6.956 -2.040 1.00 1.00 N ATOM 1355 CA THR A 88 -6.462 -6.906 -1.711 1.00 1.00 C ATOM 1356 C THR A 88 -6.642 -6.640 -0.218 1.00 1.00 C ATOM 1357 O THR A 88 -6.064 -7.333 0.619 1.00 1.00 O ATOM 1358 CB THR A 88 -7.144 -8.224 -2.093 1.00 1.00 C ATOM 1359 OG1 THR A 88 -7.037 -8.401 -3.500 1.00 1.00 O ATOM 1360 CG2 THR A 88 -8.641 -8.214 -1.682 1.00 1.00 C ATOM 0 H THR A 88 -4.476 -7.567 -1.432 1.00 1.00 H new ATOM 0 HA THR A 88 -6.924 -6.098 -2.279 1.00 1.00 H new ATOM 0 HB THR A 88 -6.654 -9.044 -1.568 1.00 1.00 H new ATOM 0 HG1 THR A 88 -7.468 -9.242 -3.758 1.00 1.00 H new ATOM 0 HG21 THR A 88 -9.102 -9.161 -1.964 1.00 1.00 H new ATOM 0 HG22 THR A 88 -8.721 -8.079 -0.603 1.00 1.00 H new ATOM 0 HG23 THR A 88 -9.152 -7.396 -2.189 1.00 1.00 H new ATOM 1368 N LEU A 89 -7.453 -5.625 0.102 1.00 1.00 N ATOM 1369 CA LEU A 89 -7.732 -5.227 1.483 1.00 1.00 C ATOM 1370 C LEU A 89 -9.180 -5.565 1.847 1.00 1.00 C ATOM 1371 O LEU A 89 -10.073 -5.511 1.001 1.00 1.00 O ATOM 1372 CB LEU A 89 -7.506 -3.708 1.606 1.00 1.00 C ATOM 1373 CG LEU A 89 -6.108 -3.319 1.059 1.00 1.00 C ATOM 1374 CD1 LEU A 89 -5.914 -1.800 1.162 1.00 1.00 C ATOM 1375 CD2 LEU A 89 -4.985 -4.051 1.837 1.00 1.00 C ATOM 0 H LEU A 89 -7.935 -5.056 -0.594 1.00 1.00 H new ATOM 0 HA LEU A 89 -7.070 -5.763 2.163 1.00 1.00 H new ATOM 0 HB2 LEU A 89 -8.280 -3.174 1.055 1.00 1.00 H new ATOM 0 HB3 LEU A 89 -7.591 -3.405 2.650 1.00 1.00 H new ATOM 0 HG LEU A 89 -6.051 -3.621 0.013 1.00 1.00 H new ATOM 0 HD11 LEU A 89 -4.930 -1.532 0.776 1.00 1.00 H new ATOM 0 HD12 LEU A 89 -6.683 -1.295 0.578 1.00 1.00 H new ATOM 0 HD13 LEU A 89 -5.991 -1.493 2.205 1.00 1.00 H new ATOM 0 HD21 LEU A 89 -4.015 -3.761 1.434 1.00 1.00 H new ATOM 0 HD22 LEU A 89 -5.036 -3.779 2.891 1.00 1.00 H new ATOM 0 HD23 LEU A 89 -5.113 -5.128 1.734 1.00 1.00 H new ATOM 1387 N VAL A 90 -9.387 -5.927 3.117 1.00 1.00 N ATOM 1388 CA VAL A 90 -10.710 -6.305 3.642 1.00 1.00 C ATOM 1389 C VAL A 90 -11.252 -5.205 4.537 1.00 1.00 C ATOM 1390 O VAL A 90 -10.548 -4.249 4.863 1.00 1.00 O ATOM 1391 CB VAL A 90 -10.618 -7.636 4.423 1.00 1.00 C ATOM 1392 CG1 VAL A 90 -10.127 -8.737 3.474 1.00 1.00 C ATOM 1393 CG2 VAL A 90 -9.638 -7.502 5.602 1.00 1.00 C ATOM 0 H VAL A 90 -8.643 -5.967 3.814 1.00 1.00 H new ATOM 0 HA VAL A 90 -11.393 -6.442 2.803 1.00 1.00 H new ATOM 0 HB VAL A 90 -11.603 -7.889 4.816 1.00 1.00 H new ATOM 0 HG11 VAL A 90 -10.059 -9.680 4.016 1.00 1.00 H new ATOM 0 HG12 VAL A 90 -10.828 -8.844 2.647 1.00 1.00 H new ATOM 0 HG13 VAL A 90 -9.144 -8.470 3.085 1.00 1.00 H new ATOM 0 HG21 VAL A 90 -9.585 -8.448 6.141 1.00 1.00 H new ATOM 0 HG22 VAL A 90 -8.648 -7.244 5.225 1.00 1.00 H new ATOM 0 HG23 VAL A 90 -9.985 -6.719 6.276 1.00 1.00 H new