USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 594 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: B 12 HIS : no HE2:sc= -5.71! C(o=-4.6!,f=-6.7!) USER MOD Set 1.2: B 16 HIS : no HE2:sc= 0.00889 X(o=-4.6,f=-5) USER MOD Set 1.3: B 40 CYS SG : rot -141:sc= 0.387 USER MOD Set 1.4: B 43 CYS SG : rot 140:sc= 0.68 USER MOD Set 2.1: A 35 GLN : amide:sc= -0.219 K(o=-0.43,f=-1.8) USER MOD Set 2.2: B 35 GLN : amide:sc= -0.214 K(o=-0.43,f=-1.8) USER MOD Set 3.1: A 12 HIS : no HE2:sc= -5.72! C(o=-4.7!,f=-6.4!) USER MOD Set 3.2: A 16 HIS : no HE2:sc= 0.0055 X(o=-4.7,f=-5) USER MOD Set 3.3: A 40 CYS SG : rot -140:sc= 0.387 USER MOD Set 3.4: A 43 CYS SG : rot 139:sc= 0.658 USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= -0.632 USER MOD Single : A 18 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 84:sc= 1.17 USER MOD Single : A 24 HIS : no HD1:sc= -0.113 X(o=-0.11,f=-0.0027) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.0483 K(o=-0.048,f=-2!) USER MOD Single : A 38 ASN : amide:sc= -0.476 X(o=-0.48,f=-0.5!) USER MOD Single : A 39 SER OG : rot 83:sc= 0.464 USER MOD Single : A 42 GLN : amide:sc= -0.0538 K(o=-0.054,f=-1.4) USER MOD Single : A 44 GLN : amide:sc= -0.16 X(o=-0.16,f=-0.16) USER MOD Single : B 9 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 TYR OH : rot 180:sc= 0 USER MOD Single : B 17 SER OG : rot 180:sc= -0.681 USER MOD Single : B 18 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : B 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 SER OG : rot 83:sc= 1.15 USER MOD Single : B 24 HIS : no HD1:sc= -0.0779 X(o=-0.078,f=0) USER MOD Single : B 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 ASN : amide:sc= -0.037 K(o=-0.037,f=-2!) USER MOD Single : B 38 ASN : amide:sc= -0.486 X(o=-0.49,f=-0.57!) USER MOD Single : B 39 SER OG : rot 84:sc= 0.455 USER MOD Single : B 42 GLN : amide:sc= -0.0338 K(o=-0.034,f=-1.4!) USER MOD Single : B 44 GLN : amide:sc= -0.142 X(o=-0.14,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 98 N GLU A 6 -9.088 -7.766 -11.399 1.00 0.00 N ATOM 99 CA GLU A 6 -9.550 -7.077 -12.603 1.00 0.00 C ATOM 100 C GLU A 6 -11.082 -7.037 -12.656 1.00 0.00 C ATOM 101 O GLU A 6 -11.675 -5.959 -12.686 1.00 0.00 O ATOM 102 CB GLU A 6 -8.989 -7.753 -13.857 1.00 0.00 C ATOM 103 CG GLU A 6 -7.759 -7.062 -14.420 1.00 0.00 C ATOM 104 CD GLU A 6 -7.496 -7.428 -15.869 1.00 0.00 C ATOM 105 OE1 GLU A 6 -7.159 -8.601 -16.132 1.00 0.00 O ATOM 106 OE2 GLU A 6 -7.628 -6.542 -16.738 1.00 0.00 O ATOM 0 HA GLU A 6 -9.184 -6.051 -12.568 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -8.739 -8.787 -13.621 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -9.764 -7.779 -14.623 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -7.884 -5.982 -14.339 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -6.890 -7.328 -13.818 1.00 0.00 H new ATOM 113 N PRO A 7 -11.752 -8.212 -12.656 1.00 0.00 N ATOM 114 CA PRO A 7 -13.220 -8.285 -12.694 1.00 0.00 C ATOM 115 C PRO A 7 -13.884 -7.308 -11.727 1.00 0.00 C ATOM 116 O PRO A 7 -14.972 -6.798 -11.993 1.00 0.00 O ATOM 117 CB PRO A 7 -13.505 -9.723 -12.266 1.00 0.00 C ATOM 118 CG PRO A 7 -12.317 -10.494 -12.723 1.00 0.00 C ATOM 119 CD PRO A 7 -11.140 -9.559 -12.616 1.00 0.00 C ATOM 0 HA PRO A 7 -13.614 -8.022 -13.676 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -13.634 -9.797 -11.186 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -14.421 -10.098 -12.723 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -12.167 -11.380 -12.106 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -12.448 -10.839 -13.749 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -10.585 -9.719 -11.691 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -10.438 -9.704 -13.438 1.00 0.00 H new ATOM 127 N ALA A 8 -13.219 -7.054 -10.605 1.00 0.00 N ATOM 128 CA ALA A 8 -13.742 -6.141 -9.597 1.00 0.00 C ATOM 129 C ALA A 8 -13.674 -4.698 -10.079 1.00 0.00 C ATOM 130 O ALA A 8 -14.534 -3.881 -9.745 1.00 0.00 O ATOM 131 CB ALA A 8 -12.978 -6.304 -8.291 1.00 0.00 C ATOM 0 H ALA A 8 -12.317 -7.468 -10.371 1.00 0.00 H new ATOM 0 HA ALA A 8 -14.789 -6.388 -9.423 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -13.379 -5.616 -7.547 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -13.084 -7.328 -7.933 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -11.923 -6.085 -8.457 1.00 0.00 H new ATOM 137 N GLN A 9 -12.652 -4.389 -10.867 1.00 0.00 N ATOM 138 CA GLN A 9 -12.480 -3.042 -11.396 1.00 0.00 C ATOM 139 C GLN A 9 -13.624 -2.686 -12.337 1.00 0.00 C ATOM 140 O GLN A 9 -14.050 -1.533 -12.405 1.00 0.00 O ATOM 141 CB GLN A 9 -11.141 -2.920 -12.126 1.00 0.00 C ATOM 142 CG GLN A 9 -9.965 -2.667 -11.200 1.00 0.00 C ATOM 143 CD GLN A 9 -8.644 -3.099 -11.806 1.00 0.00 C ATOM 144 OE1 GLN A 9 -8.497 -3.152 -13.026 1.00 0.00 O ATOM 145 NE2 GLN A 9 -7.677 -3.415 -10.953 1.00 0.00 N ATOM 0 H GLN A 9 -11.931 -5.051 -11.153 1.00 0.00 H new ATOM 0 HA GLN A 9 -12.487 -2.344 -10.559 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -10.959 -3.835 -12.689 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -11.204 -2.108 -12.850 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -9.920 -1.605 -10.958 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -10.123 -3.201 -10.263 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -7.844 -3.356 -9.948 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -6.767 -3.716 -11.302 1.00 0.00 H new ATOM 154 N GLU A 10 -14.122 -3.685 -13.057 1.00 0.00 N ATOM 155 CA GLU A 10 -15.223 -3.478 -13.990 1.00 0.00 C ATOM 156 C GLU A 10 -16.542 -3.306 -13.241 1.00 0.00 C ATOM 157 O GLU A 10 -17.453 -2.629 -13.718 1.00 0.00 O ATOM 158 CB GLU A 10 -15.324 -4.653 -14.963 1.00 0.00 C ATOM 159 CG GLU A 10 -16.222 -4.377 -16.157 1.00 0.00 C ATOM 160 CD GLU A 10 -16.235 -5.519 -17.152 1.00 0.00 C ATOM 161 OE1 GLU A 10 -16.455 -6.673 -16.731 1.00 0.00 O ATOM 162 OE2 GLU A 10 -16.026 -5.259 -18.357 1.00 0.00 O ATOM 0 H GLU A 10 -13.781 -4.645 -13.013 1.00 0.00 H new ATOM 0 HA GLU A 10 -15.023 -2.567 -14.554 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -14.326 -4.905 -15.320 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -15.701 -5.525 -14.429 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -17.238 -4.192 -15.808 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -15.887 -3.468 -16.657 1.00 0.00 H new ATOM 169 N GLU A 11 -16.638 -3.924 -12.066 1.00 0.00 N ATOM 170 CA GLU A 11 -17.845 -3.836 -11.253 1.00 0.00 C ATOM 171 C GLU A 11 -18.058 -2.417 -10.749 1.00 0.00 C ATOM 172 O GLU A 11 -19.182 -1.915 -10.754 1.00 0.00 O ATOM 173 CB GLU A 11 -17.763 -4.808 -10.073 1.00 0.00 C ATOM 174 CG GLU A 11 -19.050 -4.898 -9.269 1.00 0.00 C ATOM 175 CD GLU A 11 -20.209 -5.442 -10.084 1.00 0.00 C ATOM 176 OE1 GLU A 11 -19.958 -6.228 -11.021 1.00 0.00 O ATOM 177 OE2 GLU A 11 -21.366 -5.081 -9.784 1.00 0.00 O ATOM 0 H GLU A 11 -15.894 -4.490 -11.657 1.00 0.00 H new ATOM 0 HA GLU A 11 -18.696 -4.109 -11.878 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -17.508 -5.800 -10.447 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -16.953 -4.498 -9.413 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -18.888 -5.538 -8.402 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -19.308 -3.909 -8.892 1.00 0.00 H new ATOM 184 N HIS A 12 -16.981 -1.764 -10.318 1.00 0.00 N ATOM 185 CA HIS A 12 -17.092 -0.400 -9.826 1.00 0.00 C ATOM 186 C HIS A 12 -17.492 0.543 -10.960 1.00 0.00 C ATOM 187 O HIS A 12 -18.292 1.453 -10.770 1.00 0.00 O ATOM 188 CB HIS A 12 -15.781 0.084 -9.186 1.00 0.00 C ATOM 189 CG HIS A 12 -15.909 1.470 -8.637 1.00 0.00 C ATOM 190 ND1 HIS A 12 -15.878 1.783 -7.295 1.00 0.00 N ATOM 191 CD2 HIS A 12 -16.195 2.618 -9.287 1.00 0.00 C ATOM 192 CE1 HIS A 12 -16.163 3.090 -7.175 1.00 0.00 C ATOM 193 NE2 HIS A 12 -16.365 3.637 -8.358 1.00 0.00 N ATOM 0 H HIS A 12 -16.038 -2.152 -10.300 1.00 0.00 H new ATOM 0 HA HIS A 12 -17.865 -0.393 -9.057 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -15.493 -0.599 -8.386 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -14.983 0.059 -9.928 1.00 0.00 H new ATOM 0 HD1 HIS A 12 -15.675 1.138 -6.531 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -16.278 2.727 -10.358 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -16.219 3.621 -6.236 1.00 0.00 H new ATOM 201 N GLU A 13 -16.916 0.330 -12.131 1.00 0.00 N ATOM 202 CA GLU A 13 -17.202 1.172 -13.286 1.00 0.00 C ATOM 203 C GLU A 13 -18.661 1.067 -13.739 1.00 0.00 C ATOM 204 O GLU A 13 -19.110 1.865 -14.563 1.00 0.00 O ATOM 205 CB GLU A 13 -16.276 0.799 -14.444 1.00 0.00 C ATOM 206 CG GLU A 13 -14.842 1.266 -14.246 1.00 0.00 C ATOM 207 CD GLU A 13 -14.256 1.907 -15.490 1.00 0.00 C ATOM 208 OE1 GLU A 13 -14.824 1.711 -16.584 1.00 0.00 O ATOM 209 OE2 GLU A 13 -13.226 2.603 -15.368 1.00 0.00 O ATOM 0 H GLU A 13 -16.247 -0.419 -12.310 1.00 0.00 H new ATOM 0 HA GLU A 13 -17.027 2.204 -12.983 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -16.283 -0.284 -14.571 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -16.667 1.231 -15.365 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -14.808 1.981 -13.424 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -14.225 0.416 -13.955 1.00 0.00 H new ATOM 216 N LYS A 14 -19.402 0.081 -13.226 1.00 0.00 N ATOM 217 CA LYS A 14 -20.796 -0.096 -13.626 1.00 0.00 C ATOM 218 C LYS A 14 -21.786 0.327 -12.537 1.00 0.00 C ATOM 219 O LYS A 14 -22.953 0.585 -12.832 1.00 0.00 O ATOM 220 CB LYS A 14 -21.045 -1.552 -14.018 1.00 0.00 C ATOM 221 CG LYS A 14 -22.001 -1.707 -15.189 1.00 0.00 C ATOM 222 CD LYS A 14 -22.506 -3.136 -15.313 1.00 0.00 C ATOM 223 CE LYS A 14 -21.708 -3.921 -16.340 1.00 0.00 C ATOM 224 NZ LYS A 14 -22.299 -3.815 -17.702 1.00 0.00 N ATOM 0 H LYS A 14 -19.064 -0.597 -12.543 1.00 0.00 H new ATOM 0 HA LYS A 14 -20.966 0.557 -14.482 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -20.094 -2.020 -14.271 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -21.446 -2.089 -13.158 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -22.847 -1.031 -15.061 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -21.498 -1.417 -16.111 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -22.441 -3.631 -14.344 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -23.558 -3.128 -15.597 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -20.682 -3.554 -16.360 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -21.666 -4.969 -16.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -21.725 -4.364 -18.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -23.269 -4.189 -17.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -22.316 -2.818 -17.996 1.00 0.00 H new ATOM 238 N TYR A 15 -21.341 0.387 -11.281 1.00 0.00 N ATOM 239 CA TYR A 15 -22.239 0.768 -10.187 1.00 0.00 C ATOM 240 C TYR A 15 -21.519 1.518 -9.062 1.00 0.00 C ATOM 241 O TYR A 15 -22.040 1.610 -7.950 1.00 0.00 O ATOM 242 CB TYR A 15 -22.909 -0.481 -9.614 1.00 0.00 C ATOM 243 CG TYR A 15 -23.551 -1.367 -10.657 1.00 0.00 C ATOM 244 CD1 TYR A 15 -24.830 -1.099 -11.130 1.00 0.00 C ATOM 245 CD2 TYR A 15 -22.881 -2.474 -11.166 1.00 0.00 C ATOM 246 CE1 TYR A 15 -25.422 -1.907 -12.081 1.00 0.00 C ATOM 247 CE2 TYR A 15 -23.469 -3.287 -12.116 1.00 0.00 C ATOM 248 CZ TYR A 15 -24.738 -3.000 -12.570 1.00 0.00 C ATOM 249 OH TYR A 15 -25.326 -3.808 -13.516 1.00 0.00 O ATOM 0 H TYR A 15 -20.383 0.181 -10.998 1.00 0.00 H new ATOM 0 HA TYR A 15 -22.983 1.446 -10.606 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -22.166 -1.061 -9.067 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -23.668 -0.176 -8.894 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -25.370 -0.245 -10.748 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -21.886 -2.702 -10.813 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -26.416 -1.684 -12.440 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -22.936 -4.144 -12.501 1.00 0.00 H new ATOM 0 HH TYR A 15 -24.711 -4.533 -13.755 1.00 0.00 H new ATOM 259 N HIS A 16 -20.325 2.043 -9.346 1.00 0.00 N ATOM 260 CA HIS A 16 -19.521 2.778 -8.354 1.00 0.00 C ATOM 261 C HIS A 16 -19.552 2.110 -6.975 1.00 0.00 C ATOM 262 O HIS A 16 -19.671 2.779 -5.949 1.00 0.00 O ATOM 263 CB HIS A 16 -19.974 4.237 -8.245 1.00 0.00 C ATOM 264 CG HIS A 16 -19.756 5.033 -9.498 1.00 0.00 C ATOM 265 ND1 HIS A 16 -18.539 5.610 -9.807 1.00 0.00 N ATOM 266 CD2 HIS A 16 -20.639 5.326 -10.485 1.00 0.00 C ATOM 267 CE1 HIS A 16 -18.712 6.230 -10.960 1.00 0.00 C ATOM 268 NE2 HIS A 16 -19.968 6.087 -11.410 1.00 0.00 N ATOM 0 H HIS A 16 -19.886 1.974 -10.264 1.00 0.00 H new ATOM 0 HA HIS A 16 -18.491 2.757 -8.710 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -21.033 4.261 -7.990 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -19.438 4.714 -7.425 1.00 0.00 H new ATOM 0 HD1 HIS A 16 -17.681 5.566 -9.256 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -21.673 5.019 -10.534 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -17.940 6.782 -11.476 1.00 0.00 H new ATOM 276 N SER A 17 -19.447 0.784 -6.969 1.00 0.00 N ATOM 277 CA SER A 17 -19.465 0.017 -5.730 1.00 0.00 C ATOM 278 C SER A 17 -18.333 0.447 -4.799 1.00 0.00 C ATOM 279 O SER A 17 -17.200 0.647 -5.234 1.00 0.00 O ATOM 280 CB SER A 17 -19.348 -1.477 -6.036 1.00 0.00 C ATOM 281 OG SER A 17 -20.570 -1.992 -6.536 1.00 0.00 O ATOM 0 H SER A 17 -19.348 0.218 -7.812 1.00 0.00 H new ATOM 0 HA SER A 17 -20.412 0.210 -5.227 1.00 0.00 H new ATOM 0 HB2 SER A 17 -18.555 -1.641 -6.766 1.00 0.00 H new ATOM 0 HB3 SER A 17 -19.066 -2.016 -5.132 1.00 0.00 H new ATOM 0 HG SER A 17 -20.469 -2.948 -6.726 1.00 0.00 H new ATOM 287 N ASN A 18 -18.652 0.585 -3.515 1.00 0.00 N ATOM 288 CA ASN A 18 -17.664 0.988 -2.518 1.00 0.00 C ATOM 289 C ASN A 18 -16.700 -0.156 -2.220 1.00 0.00 C ATOM 290 O ASN A 18 -16.886 -1.274 -2.696 1.00 0.00 O ATOM 291 CB ASN A 18 -18.360 1.435 -1.232 1.00 0.00 C ATOM 292 CG ASN A 18 -19.191 2.687 -1.430 1.00 0.00 C ATOM 293 OD1 ASN A 18 -19.142 3.318 -2.486 1.00 0.00 O ATOM 294 ND2 ASN A 18 -19.962 3.053 -0.412 1.00 0.00 N ATOM 0 H ASN A 18 -19.587 0.424 -3.140 1.00 0.00 H new ATOM 0 HA ASN A 18 -17.094 1.825 -2.921 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -19.000 0.631 -0.870 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -17.611 1.617 -0.461 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -20.545 3.887 -0.487 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -19.972 2.500 0.445 1.00 0.00 H new ATOM 301 N VAL A 19 -15.667 0.130 -1.429 1.00 0.00 N ATOM 302 CA VAL A 19 -14.670 -0.877 -1.073 1.00 0.00 C ATOM 303 C VAL A 19 -15.320 -2.113 -0.457 1.00 0.00 C ATOM 304 O VAL A 19 -15.073 -3.238 -0.893 1.00 0.00 O ATOM 305 CB VAL A 19 -13.622 -0.313 -0.091 1.00 0.00 C ATOM 306 CG1 VAL A 19 -12.514 -1.325 0.173 1.00 0.00 C ATOM 307 CG2 VAL A 19 -13.038 0.976 -0.635 1.00 0.00 C ATOM 0 H VAL A 19 -15.499 1.050 -1.023 1.00 0.00 H new ATOM 0 HA VAL A 19 -14.171 -1.162 -1.999 1.00 0.00 H new ATOM 0 HB VAL A 19 -14.121 -0.106 0.856 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -11.791 -0.899 0.868 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -12.943 -2.230 0.604 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -12.015 -1.571 -0.764 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -12.300 1.365 0.066 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -12.560 0.782 -1.595 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -13.834 1.709 -0.767 1.00 0.00 H new ATOM 317 N LYS A 20 -16.154 -1.897 0.555 1.00 0.00 N ATOM 318 CA LYS A 20 -16.841 -2.998 1.229 1.00 0.00 C ATOM 319 C LYS A 20 -17.627 -3.844 0.230 1.00 0.00 C ATOM 320 O LYS A 20 -17.719 -5.063 0.368 1.00 0.00 O ATOM 321 CB LYS A 20 -17.781 -2.457 2.312 1.00 0.00 C ATOM 322 CG LYS A 20 -18.572 -3.536 3.042 1.00 0.00 C ATOM 323 CD LYS A 20 -17.667 -4.635 3.580 1.00 0.00 C ATOM 324 CE LYS A 20 -18.103 -5.091 4.963 1.00 0.00 C ATOM 325 NZ LYS A 20 -17.410 -6.342 5.379 1.00 0.00 N ATOM 0 H LYS A 20 -16.372 -0.973 0.927 1.00 0.00 H new ATOM 0 HA LYS A 20 -16.087 -3.630 1.697 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -17.195 -1.895 3.040 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -18.479 -1.755 1.855 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -19.126 -3.086 3.866 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -19.306 -3.970 2.363 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -17.678 -5.484 2.896 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -16.640 -4.273 3.622 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -17.896 -4.303 5.687 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -19.181 -5.254 4.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -17.735 -6.620 6.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -17.628 -7.101 4.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -16.383 -6.180 5.399 1.00 0.00 H new ATOM 339 N GLU A 21 -18.182 -3.188 -0.781 1.00 0.00 N ATOM 340 CA GLU A 21 -18.952 -3.879 -1.807 1.00 0.00 C ATOM 341 C GLU A 21 -18.039 -4.750 -2.665 1.00 0.00 C ATOM 342 O GLU A 21 -18.325 -5.924 -2.898 1.00 0.00 O ATOM 343 CB GLU A 21 -19.693 -2.868 -2.680 1.00 0.00 C ATOM 344 CG GLU A 21 -20.565 -3.511 -3.744 1.00 0.00 C ATOM 345 CD GLU A 21 -21.733 -4.278 -3.155 1.00 0.00 C ATOM 346 OE1 GLU A 21 -22.776 -3.648 -2.876 1.00 0.00 O ATOM 347 OE2 GLU A 21 -21.605 -5.507 -2.971 1.00 0.00 O ATOM 0 H GLU A 21 -18.113 -2.179 -0.912 1.00 0.00 H new ATOM 0 HA GLU A 21 -19.683 -4.523 -1.318 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -20.315 -2.238 -2.044 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -18.966 -2.215 -3.163 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -20.943 -2.739 -4.414 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -19.958 -4.187 -4.346 1.00 0.00 H new ATOM 354 N LEU A 22 -16.938 -4.167 -3.128 1.00 0.00 N ATOM 355 CA LEU A 22 -15.979 -4.890 -3.955 1.00 0.00 C ATOM 356 C LEU A 22 -15.350 -6.039 -3.172 1.00 0.00 C ATOM 357 O LEU A 22 -15.181 -7.141 -3.694 1.00 0.00 O ATOM 358 CB LEU A 22 -14.879 -3.946 -4.451 1.00 0.00 C ATOM 359 CG LEU A 22 -15.239 -3.075 -5.659 1.00 0.00 C ATOM 360 CD1 LEU A 22 -15.842 -3.914 -6.775 1.00 0.00 C ATOM 361 CD2 LEU A 22 -16.192 -1.962 -5.253 1.00 0.00 C ATOM 0 H LEU A 22 -16.688 -3.195 -2.944 1.00 0.00 H new ATOM 0 HA LEU A 22 -16.515 -5.297 -4.813 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -14.591 -3.291 -3.629 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -14.003 -4.542 -4.706 1.00 0.00 H new ATOM 0 HG LEU A 22 -14.321 -2.623 -6.034 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -16.089 -3.272 -7.620 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -15.123 -4.670 -7.091 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -16.747 -4.403 -6.414 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -16.435 -1.355 -6.125 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -17.106 -2.396 -4.846 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -15.719 -1.336 -4.496 1.00 0.00 H new ATOM 373 N SER A 23 -14.996 -5.766 -1.921 1.00 0.00 N ATOM 374 CA SER A 23 -14.375 -6.767 -1.064 1.00 0.00 C ATOM 375 C SER A 23 -15.378 -7.835 -0.639 1.00 0.00 C ATOM 376 O SER A 23 -15.058 -9.024 -0.614 1.00 0.00 O ATOM 377 CB SER A 23 -13.781 -6.096 0.178 1.00 0.00 C ATOM 378 OG SER A 23 -13.385 -7.062 1.138 1.00 0.00 O ATOM 0 H SER A 23 -15.129 -4.857 -1.478 1.00 0.00 H new ATOM 0 HA SER A 23 -13.583 -7.251 -1.635 1.00 0.00 H new ATOM 0 HB2 SER A 23 -12.922 -5.489 -0.108 1.00 0.00 H new ATOM 0 HB3 SER A 23 -14.516 -5.421 0.618 1.00 0.00 H new ATOM 0 HG SER A 23 -12.489 -7.393 0.918 1.00 0.00 H new ATOM 384 N HIS A 24 -16.586 -7.407 -0.295 1.00 0.00 N ATOM 385 CA HIS A 24 -17.626 -8.331 0.142 1.00 0.00 C ATOM 386 C HIS A 24 -18.229 -9.091 -1.036 1.00 0.00 C ATOM 387 O HIS A 24 -18.701 -10.216 -0.880 1.00 0.00 O ATOM 388 CB HIS A 24 -18.724 -7.578 0.895 1.00 0.00 C ATOM 389 CG HIS A 24 -19.606 -8.470 1.712 1.00 0.00 C ATOM 390 ND1 HIS A 24 -20.770 -8.006 2.274 1.00 0.00 N ATOM 391 CD2 HIS A 24 -19.450 -9.777 2.032 1.00 0.00 C ATOM 392 CE1 HIS A 24 -21.294 -9.032 2.922 1.00 0.00 C ATOM 393 NE2 HIS A 24 -20.528 -10.129 2.803 1.00 0.00 N ATOM 0 H HIS A 24 -16.870 -6.427 -0.310 1.00 0.00 H new ATOM 0 HA HIS A 24 -17.164 -9.057 0.811 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -18.263 -6.838 1.549 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -19.337 -7.032 0.178 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -18.633 -10.419 1.737 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -22.220 -8.993 3.476 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -20.713 -11.047 3.208 1.00 0.00 H new ATOM 401 N LYS A 25 -18.216 -8.475 -2.216 1.00 0.00 N ATOM 402 CA LYS A 25 -18.771 -9.108 -3.406 1.00 0.00 C ATOM 403 C LYS A 25 -17.789 -10.108 -4.011 1.00 0.00 C ATOM 404 O LYS A 25 -18.156 -11.239 -4.331 1.00 0.00 O ATOM 405 CB LYS A 25 -19.150 -8.055 -4.448 1.00 0.00 C ATOM 406 CG LYS A 25 -19.953 -8.612 -5.612 1.00 0.00 C ATOM 407 CD LYS A 25 -19.937 -7.671 -6.805 1.00 0.00 C ATOM 408 CE LYS A 25 -20.698 -8.255 -7.986 1.00 0.00 C ATOM 409 NZ LYS A 25 -22.160 -7.985 -7.892 1.00 0.00 N ATOM 0 H LYS A 25 -17.829 -7.544 -2.372 1.00 0.00 H new ATOM 0 HA LYS A 25 -19.668 -9.649 -3.104 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -19.727 -7.268 -3.963 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -18.241 -7.593 -4.833 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -19.546 -9.579 -5.906 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -20.982 -8.782 -5.296 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -20.379 -6.716 -6.522 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -18.906 -7.471 -7.098 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -20.310 -7.833 -8.913 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -20.529 -9.331 -8.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -22.643 -8.399 -8.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -22.536 -8.409 -7.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -22.323 -6.958 -7.875 1.00 0.00 H new ATOM 423 N PHE A 26 -16.539 -9.684 -4.173 1.00 0.00 N ATOM 424 CA PHE A 26 -15.511 -10.544 -4.751 1.00 0.00 C ATOM 425 C PHE A 26 -14.719 -11.270 -3.666 1.00 0.00 C ATOM 426 O PHE A 26 -14.612 -12.496 -3.681 1.00 0.00 O ATOM 427 CB PHE A 26 -14.568 -9.720 -5.629 1.00 0.00 C ATOM 428 CG PHE A 26 -15.217 -9.233 -6.893 1.00 0.00 C ATOM 429 CD1 PHE A 26 -15.895 -8.027 -6.916 1.00 0.00 C ATOM 430 CD2 PHE A 26 -15.153 -9.986 -8.054 1.00 0.00 C ATOM 431 CE1 PHE A 26 -16.499 -7.578 -8.074 1.00 0.00 C ATOM 432 CE2 PHE A 26 -15.753 -9.542 -9.217 1.00 0.00 C ATOM 433 CZ PHE A 26 -16.428 -8.336 -9.227 1.00 0.00 C ATOM 0 H PHE A 26 -16.214 -8.753 -3.913 1.00 0.00 H new ATOM 0 HA PHE A 26 -16.008 -11.296 -5.365 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -14.206 -8.864 -5.060 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -13.697 -10.324 -5.884 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -15.953 -7.430 -6.018 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -14.629 -10.930 -8.050 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -17.026 -6.635 -8.078 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -15.695 -10.137 -10.117 1.00 0.00 H new ATOM 0 HZ PHE A 26 -16.899 -7.987 -10.134 1.00 0.00 H new ATOM 443 N GLY A 27 -14.161 -10.510 -2.728 1.00 0.00 N ATOM 444 CA GLY A 27 -13.383 -11.107 -1.655 1.00 0.00 C ATOM 445 C GLY A 27 -12.075 -10.379 -1.390 1.00 0.00 C ATOM 446 O GLY A 27 -11.444 -10.592 -0.355 1.00 0.00 O ATOM 0 H GLY A 27 -14.233 -9.493 -2.691 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -13.979 -11.114 -0.743 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -13.169 -12.146 -1.904 1.00 0.00 H new ATOM 450 N ILE A 28 -11.664 -9.516 -2.321 1.00 0.00 N ATOM 451 CA ILE A 28 -10.423 -8.760 -2.171 1.00 0.00 C ATOM 452 C ILE A 28 -10.446 -7.916 -0.898 1.00 0.00 C ATOM 453 O ILE A 28 -11.484 -7.370 -0.535 1.00 0.00 O ATOM 454 CB ILE A 28 -10.179 -7.830 -3.380 1.00 0.00 C ATOM 455 CG1 ILE A 28 -11.466 -7.093 -3.765 1.00 0.00 C ATOM 456 CG2 ILE A 28 -9.642 -8.623 -4.561 1.00 0.00 C ATOM 457 CD1 ILE A 28 -11.240 -5.921 -4.695 1.00 0.00 C ATOM 0 H ILE A 28 -12.172 -9.325 -3.184 1.00 0.00 H new ATOM 0 HA ILE A 28 -9.615 -9.489 -2.112 1.00 0.00 H new ATOM 0 HB ILE A 28 -9.434 -7.087 -3.096 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -12.149 -7.797 -4.241 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -11.956 -6.737 -2.859 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -9.476 -7.952 -5.404 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -8.701 -9.097 -4.283 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -10.364 -9.389 -4.844 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -12.195 -5.448 -4.924 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -10.583 -5.197 -4.214 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -10.779 -6.273 -5.618 1.00 0.00 H new ATOM 469 N PRO A 29 -9.302 -7.793 -0.190 1.00 0.00 N ATOM 470 CA PRO A 29 -9.232 -7.002 1.042 1.00 0.00 C ATOM 471 C PRO A 29 -9.736 -5.578 0.836 1.00 0.00 C ATOM 472 O PRO A 29 -9.954 -5.142 -0.295 1.00 0.00 O ATOM 473 CB PRO A 29 -7.740 -7.008 1.411 1.00 0.00 C ATOM 474 CG PRO A 29 -7.025 -7.523 0.206 1.00 0.00 C ATOM 475 CD PRO A 29 -8.002 -8.397 -0.525 1.00 0.00 C ATOM 0 HA PRO A 29 -9.864 -7.418 1.827 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -7.397 -6.006 1.671 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -7.554 -7.643 2.277 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -6.689 -6.702 -0.427 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -6.138 -8.088 0.493 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -7.821 -8.394 -1.600 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -7.942 -9.434 -0.195 1.00 0.00 H new ATOM 483 N ASN A 30 -9.931 -4.862 1.937 1.00 0.00 N ATOM 484 CA ASN A 30 -10.424 -3.490 1.883 1.00 0.00 C ATOM 485 C ASN A 30 -9.444 -2.558 1.175 1.00 0.00 C ATOM 486 O ASN A 30 -9.831 -1.494 0.697 1.00 0.00 O ATOM 487 CB ASN A 30 -10.701 -2.972 3.295 1.00 0.00 C ATOM 488 CG ASN A 30 -11.772 -3.775 4.006 1.00 0.00 C ATOM 489 OD1 ASN A 30 -11.607 -4.969 4.253 1.00 0.00 O ATOM 490 ND2 ASN A 30 -12.877 -3.120 4.342 1.00 0.00 N ATOM 0 H ASN A 30 -9.755 -5.209 2.880 1.00 0.00 H new ATOM 0 HA ASN A 30 -11.350 -3.500 1.308 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -9.780 -3.004 3.878 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -11.009 -1.928 3.242 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -13.632 -3.607 4.825 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -12.971 -2.130 4.117 1.00 0.00 H new ATOM 497 N LEU A 31 -8.178 -2.945 1.113 1.00 0.00 N ATOM 498 CA LEU A 31 -7.172 -2.116 0.460 1.00 0.00 C ATOM 499 C LEU A 31 -7.225 -2.293 -1.055 1.00 0.00 C ATOM 500 O LEU A 31 -7.316 -1.316 -1.798 1.00 0.00 O ATOM 501 CB LEU A 31 -5.777 -2.456 0.989 1.00 0.00 C ATOM 502 CG LEU A 31 -4.617 -1.734 0.296 1.00 0.00 C ATOM 503 CD1 LEU A 31 -4.435 -0.339 0.875 1.00 0.00 C ATOM 504 CD2 LEU A 31 -3.336 -2.542 0.429 1.00 0.00 C ATOM 0 H LEU A 31 -7.824 -3.819 1.502 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.387 -1.072 0.689 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.744 -2.223 2.053 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.623 -3.531 0.893 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.853 -1.635 -0.764 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.607 0.159 0.371 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.348 0.238 0.729 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.219 -0.413 1.941 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.521 -2.016 -0.068 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.095 -2.670 1.484 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.473 -3.520 -0.033 1.00 0.00 H new ATOM 516 N VAL A 32 -7.176 -3.538 -1.513 1.00 0.00 N ATOM 517 CA VAL A 32 -7.228 -3.820 -2.944 1.00 0.00 C ATOM 518 C VAL A 32 -8.519 -3.276 -3.551 1.00 0.00 C ATOM 519 O VAL A 32 -8.550 -2.880 -4.715 1.00 0.00 O ATOM 520 CB VAL A 32 -7.113 -5.332 -3.228 1.00 0.00 C ATOM 521 CG1 VAL A 32 -7.140 -5.613 -4.726 1.00 0.00 C ATOM 522 CG2 VAL A 32 -5.846 -5.893 -2.602 1.00 0.00 C ATOM 0 H VAL A 32 -7.101 -4.364 -0.920 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.376 -3.321 -3.406 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.974 -5.828 -2.779 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -7.057 -6.686 -4.896 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -8.077 -5.250 -5.147 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.305 -5.104 -5.207 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.779 -6.961 -2.811 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.977 -5.386 -3.022 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.872 -5.735 -1.524 1.00 0.00 H new ATOM 532 N ALA A 33 -9.581 -3.245 -2.747 1.00 0.00 N ATOM 533 CA ALA A 33 -10.863 -2.735 -3.205 1.00 0.00 C ATOM 534 C ALA A 33 -10.841 -1.211 -3.271 1.00 0.00 C ATOM 535 O ALA A 33 -11.340 -0.612 -4.223 1.00 0.00 O ATOM 536 CB ALA A 33 -11.981 -3.211 -2.289 1.00 0.00 C ATOM 0 H ALA A 33 -9.575 -3.567 -1.779 1.00 0.00 H new ATOM 0 HA ALA A 33 -11.048 -3.120 -4.208 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -12.934 -2.821 -2.645 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -12.012 -4.301 -2.289 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -11.798 -2.853 -1.276 1.00 0.00 H new ATOM 542 N ARG A 34 -10.260 -0.593 -2.247 1.00 0.00 N ATOM 543 CA ARG A 34 -10.172 0.857 -2.181 1.00 0.00 C ATOM 544 C ARG A 34 -9.372 1.405 -3.365 1.00 0.00 C ATOM 545 O ARG A 34 -9.604 2.525 -3.819 1.00 0.00 O ATOM 546 CB ARG A 34 -9.577 1.294 -0.826 1.00 0.00 C ATOM 547 CG ARG A 34 -8.056 1.324 -0.766 1.00 0.00 C ATOM 548 CD ARG A 34 -7.516 2.744 -0.667 1.00 0.00 C ATOM 549 NE ARG A 34 -7.842 3.369 0.615 1.00 0.00 N ATOM 550 CZ ARG A 34 -7.253 4.472 1.081 1.00 0.00 C ATOM 551 NH1 ARG A 34 -6.306 5.082 0.377 1.00 0.00 N ATOM 552 NH2 ARG A 34 -7.615 4.967 2.257 1.00 0.00 N ATOM 0 H ARG A 34 -9.843 -1.077 -1.452 1.00 0.00 H new ATOM 0 HA ARG A 34 -11.175 1.278 -2.251 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -9.954 2.288 -0.585 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -9.942 0.619 -0.052 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -7.716 0.746 0.093 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -7.649 0.843 -1.655 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -6.434 2.730 -0.798 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -7.927 3.345 -1.478 1.00 0.00 H new ATOM 0 HE ARG A 34 -8.565 2.934 1.189 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -6.023 4.708 -0.529 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -5.862 5.925 0.742 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -8.342 4.505 2.803 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -7.166 5.810 2.615 1.00 0.00 H new ATOM 566 N GLN A 35 -8.441 0.598 -3.869 1.00 0.00 N ATOM 567 CA GLN A 35 -7.623 0.995 -5.008 1.00 0.00 C ATOM 568 C GLN A 35 -8.505 1.243 -6.225 1.00 0.00 C ATOM 569 O GLN A 35 -8.234 2.127 -7.037 1.00 0.00 O ATOM 570 CB GLN A 35 -6.587 -0.087 -5.324 1.00 0.00 C ATOM 571 CG GLN A 35 -5.407 -0.097 -4.368 1.00 0.00 C ATOM 572 CD GLN A 35 -4.135 -0.605 -5.021 1.00 0.00 C ATOM 573 OE1 GLN A 35 -3.751 -1.761 -4.840 1.00 0.00 O ATOM 574 NE2 GLN A 35 -3.476 0.259 -5.782 1.00 0.00 N ATOM 0 H GLN A 35 -8.236 -0.333 -3.506 1.00 0.00 H new ATOM 0 HA GLN A 35 -7.099 1.917 -4.755 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -7.073 -1.062 -5.298 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -6.220 0.059 -6.340 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -5.240 0.912 -3.991 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -5.645 -0.723 -3.508 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -3.832 1.207 -5.903 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -2.613 -0.025 -6.246 1.00 0.00 H new ATOM 583 N ILE A 36 -9.575 0.460 -6.331 1.00 0.00 N ATOM 584 CA ILE A 36 -10.517 0.591 -7.433 1.00 0.00 C ATOM 585 C ILE A 36 -11.303 1.891 -7.307 1.00 0.00 C ATOM 586 O ILE A 36 -11.442 2.642 -8.271 1.00 0.00 O ATOM 587 CB ILE A 36 -11.494 -0.604 -7.471 1.00 0.00 C ATOM 588 CG1 ILE A 36 -10.713 -1.920 -7.516 1.00 0.00 C ATOM 589 CG2 ILE A 36 -12.432 -0.499 -8.666 1.00 0.00 C ATOM 590 CD1 ILE A 36 -11.594 -3.149 -7.510 1.00 0.00 C ATOM 0 H ILE A 36 -9.810 -0.274 -5.663 1.00 0.00 H new ATOM 0 HA ILE A 36 -9.946 0.604 -8.361 1.00 0.00 H new ATOM 0 HB ILE A 36 -12.099 -0.585 -6.565 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -10.092 -1.933 -8.412 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -10.039 -1.962 -6.660 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -13.111 -1.352 -8.672 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -13.009 0.423 -8.596 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -11.849 -0.493 -9.587 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -10.971 -4.043 -7.543 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -12.197 -3.160 -6.602 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -12.250 -3.131 -8.380 1.00 0.00 H new ATOM 602 N VAL A 37 -11.803 2.154 -6.104 1.00 0.00 N ATOM 603 CA VAL A 37 -12.561 3.369 -5.841 1.00 0.00 C ATOM 604 C VAL A 37 -11.653 4.590 -5.925 1.00 0.00 C ATOM 605 O VAL A 37 -12.045 5.639 -6.434 1.00 0.00 O ATOM 606 CB VAL A 37 -13.227 3.326 -4.452 1.00 0.00 C ATOM 607 CG1 VAL A 37 -14.133 4.531 -4.254 1.00 0.00 C ATOM 608 CG2 VAL A 37 -14.002 2.029 -4.271 1.00 0.00 C ATOM 0 H VAL A 37 -11.696 1.541 -5.296 1.00 0.00 H new ATOM 0 HA VAL A 37 -13.341 3.439 -6.599 1.00 0.00 H new ATOM 0 HB VAL A 37 -12.445 3.363 -3.694 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -14.594 4.482 -3.267 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -13.545 5.445 -4.335 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -14.911 4.531 -5.018 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -14.465 2.017 -3.284 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -14.775 1.957 -5.036 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -13.321 1.183 -4.363 1.00 0.00 H new ATOM 618 N ASN A 38 -10.433 4.435 -5.422 1.00 0.00 N ATOM 619 CA ASN A 38 -9.452 5.514 -5.435 1.00 0.00 C ATOM 620 C ASN A 38 -9.090 5.899 -6.865 1.00 0.00 C ATOM 621 O ASN A 38 -8.772 7.055 -7.146 1.00 0.00 O ATOM 622 CB ASN A 38 -8.192 5.093 -4.676 1.00 0.00 C ATOM 623 CG ASN A 38 -7.303 6.272 -4.334 1.00 0.00 C ATOM 624 OD1 ASN A 38 -7.016 7.115 -5.183 1.00 0.00 O ATOM 625 ND2 ASN A 38 -6.858 6.335 -3.084 1.00 0.00 N ATOM 0 H ASN A 38 -10.099 3.569 -4.999 1.00 0.00 H new ATOM 0 HA ASN A 38 -9.893 6.381 -4.943 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -8.478 4.579 -3.758 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -7.629 4.380 -5.278 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -6.253 7.104 -2.796 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -7.121 5.614 -2.412 1.00 0.00 H new ATOM 632 N SER A 39 -9.142 4.926 -7.769 1.00 0.00 N ATOM 633 CA SER A 39 -8.824 5.168 -9.170 1.00 0.00 C ATOM 634 C SER A 39 -9.951 5.936 -9.851 1.00 0.00 C ATOM 635 O SER A 39 -9.717 6.734 -10.759 1.00 0.00 O ATOM 636 CB SER A 39 -8.577 3.845 -9.896 1.00 0.00 C ATOM 637 OG SER A 39 -7.303 3.314 -9.572 1.00 0.00 O ATOM 0 H SER A 39 -9.401 3.963 -7.556 1.00 0.00 H new ATOM 0 HA SER A 39 -7.916 5.770 -9.216 1.00 0.00 H new ATOM 0 HB2 SER A 39 -9.352 3.128 -9.626 1.00 0.00 H new ATOM 0 HB3 SER A 39 -8.647 3.999 -10.973 1.00 0.00 H new ATOM 0 HG SER A 39 -7.357 2.829 -8.722 1.00 0.00 H new ATOM 643 N CYS A 40 -11.178 5.690 -9.403 1.00 0.00 N ATOM 644 CA CYS A 40 -12.349 6.358 -9.959 1.00 0.00 C ATOM 645 C CYS A 40 -12.288 7.860 -9.704 1.00 0.00 C ATOM 646 O CYS A 40 -12.199 8.301 -8.559 1.00 0.00 O ATOM 647 CB CYS A 40 -13.625 5.771 -9.352 1.00 0.00 C ATOM 648 SG CYS A 40 -15.150 6.507 -9.983 1.00 0.00 S ATOM 0 H CYS A 40 -11.387 5.030 -8.654 1.00 0.00 H new ATOM 0 HA CYS A 40 -12.359 6.195 -11.037 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -13.646 4.698 -9.544 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -13.593 5.900 -8.270 1.00 0.00 H new ATOM 0 HG CYS A 40 -15.993 6.664 -9.006 1.00 0.00 H new ATOM 653 N ALA A 41 -12.334 8.642 -10.778 1.00 0.00 N ATOM 654 CA ALA A 41 -12.280 10.096 -10.668 1.00 0.00 C ATOM 655 C ALA A 41 -13.564 10.655 -10.062 1.00 0.00 C ATOM 656 O ALA A 41 -13.522 11.489 -9.159 1.00 0.00 O ATOM 657 CB ALA A 41 -12.025 10.718 -12.033 1.00 0.00 C ATOM 0 H ALA A 41 -12.408 8.294 -11.734 1.00 0.00 H new ATOM 0 HA ALA A 41 -11.457 10.352 -10.002 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -11.987 11.803 -11.937 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.076 10.355 -12.427 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -12.830 10.442 -12.715 1.00 0.00 H new ATOM 663 N GLN A 42 -14.703 10.195 -10.571 1.00 0.00 N ATOM 664 CA GLN A 42 -16.001 10.651 -10.086 1.00 0.00 C ATOM 665 C GLN A 42 -16.154 10.399 -8.586 1.00 0.00 C ATOM 666 O GLN A 42 -16.873 11.120 -7.897 1.00 0.00 O ATOM 667 CB GLN A 42 -17.127 9.954 -10.851 1.00 0.00 C ATOM 668 CG GLN A 42 -18.297 10.865 -11.179 1.00 0.00 C ATOM 669 CD GLN A 42 -18.082 11.653 -12.457 1.00 0.00 C ATOM 670 OE1 GLN A 42 -17.031 11.557 -13.090 1.00 0.00 O ATOM 671 NE2 GLN A 42 -19.082 12.436 -12.845 1.00 0.00 N ATOM 0 H GLN A 42 -14.753 9.505 -11.321 1.00 0.00 H new ATOM 0 HA GLN A 42 -16.063 11.726 -10.257 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -16.725 9.545 -11.778 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -17.488 9.112 -10.261 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -19.203 10.267 -11.273 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -18.457 11.557 -10.352 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -19.936 12.485 -12.290 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -18.996 12.988 -13.698 1.00 0.00 H new ATOM 680 N CYS A 43 -15.472 9.371 -8.088 1.00 0.00 N ATOM 681 CA CYS A 43 -15.535 9.027 -6.672 1.00 0.00 C ATOM 682 C CYS A 43 -14.380 9.662 -5.901 1.00 0.00 C ATOM 683 O CYS A 43 -14.500 9.949 -4.710 1.00 0.00 O ATOM 684 CB CYS A 43 -15.506 7.507 -6.493 1.00 0.00 C ATOM 685 SG CYS A 43 -17.099 6.697 -6.778 1.00 0.00 S ATOM 0 H CYS A 43 -14.870 8.763 -8.644 1.00 0.00 H new ATOM 0 HA CYS A 43 -16.471 9.417 -6.273 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -14.769 7.086 -7.177 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -15.170 7.278 -5.482 1.00 0.00 H new ATOM 0 HG CYS A 43 -16.913 5.594 -7.440 1.00 0.00 H new ATOM 690 N GLN A 44 -13.260 9.881 -6.588 1.00 0.00 N ATOM 691 CA GLN A 44 -12.083 10.483 -5.967 1.00 0.00 C ATOM 692 C GLN A 44 -12.416 11.839 -5.351 1.00 0.00 C ATOM 693 O GLN A 44 -12.076 12.110 -4.200 1.00 0.00 O ATOM 694 CB GLN A 44 -10.962 10.635 -7.001 1.00 0.00 C ATOM 695 CG GLN A 44 -9.920 9.532 -6.935 1.00 0.00 C ATOM 696 CD GLN A 44 -8.551 9.993 -7.395 1.00 0.00 C ATOM 697 OE1 GLN A 44 -7.730 10.435 -6.591 1.00 0.00 O ATOM 698 NE2 GLN A 44 -8.299 9.894 -8.694 1.00 0.00 N ATOM 0 H GLN A 44 -13.144 9.650 -7.575 1.00 0.00 H new ATOM 0 HA GLN A 44 -11.747 9.822 -5.168 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -11.400 10.651 -7.999 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -10.471 11.597 -6.853 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -9.850 9.164 -5.911 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -10.244 8.694 -7.553 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -9.009 9.522 -9.324 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -7.395 10.190 -9.062 1.00 0.00 H new ATOM 845 N GLU B 6 3.524 -7.766 3.535 1.00 0.00 N ATOM 846 CA GLU B 6 3.987 -7.072 4.734 1.00 0.00 C ATOM 847 C GLU B 6 5.519 -7.039 4.791 1.00 0.00 C ATOM 848 O GLU B 6 6.116 -5.964 4.818 1.00 0.00 O ATOM 849 CB GLU B 6 3.420 -7.738 5.991 1.00 0.00 C ATOM 850 CG GLU B 6 2.190 -7.037 6.547 1.00 0.00 C ATOM 851 CD GLU B 6 1.921 -7.392 7.995 1.00 0.00 C ATOM 852 OE1 GLU B 6 1.576 -8.561 8.266 1.00 0.00 O ATOM 853 OE2 GLU B 6 2.057 -6.501 8.861 1.00 0.00 O ATOM 0 HA GLU B 6 3.626 -6.044 4.691 1.00 0.00 H new ATOM 0 HB2 GLU B 6 3.166 -8.773 5.761 1.00 0.00 H new ATOM 0 HB3 GLU B 6 4.193 -7.763 6.759 1.00 0.00 H new ATOM 0 HG2 GLU B 6 2.321 -5.958 6.460 1.00 0.00 H new ATOM 0 HG3 GLU B 6 1.322 -7.303 5.944 1.00 0.00 H new ATOM 860 N PRO B 7 6.184 -8.218 4.802 1.00 0.00 N ATOM 861 CA PRO B 7 7.651 -8.297 4.846 1.00 0.00 C ATOM 862 C PRO B 7 8.323 -7.329 3.875 1.00 0.00 C ATOM 863 O PRO B 7 9.413 -6.824 4.140 1.00 0.00 O ATOM 864 CB PRO B 7 7.931 -9.739 4.426 1.00 0.00 C ATOM 865 CG PRO B 7 6.739 -10.501 4.887 1.00 0.00 C ATOM 866 CD PRO B 7 5.566 -9.562 4.770 1.00 0.00 C ATOM 0 HA PRO B 7 8.042 -8.030 5.828 1.00 0.00 H new ATOM 0 HB2 PRO B 7 8.060 -9.820 3.347 1.00 0.00 H new ATOM 0 HB3 PRO B 7 8.845 -10.116 4.886 1.00 0.00 H new ATOM 0 HG2 PRO B 7 6.587 -11.391 4.277 1.00 0.00 H new ATOM 0 HG3 PRO B 7 6.867 -10.838 5.916 1.00 0.00 H new ATOM 0 HD2 PRO B 7 5.013 -9.726 3.845 1.00 0.00 H new ATOM 0 HD3 PRO B 7 4.862 -9.698 5.591 1.00 0.00 H new ATOM 874 N ALA B 8 7.664 -7.079 2.747 1.00 0.00 N ATOM 875 CA ALA B 8 8.194 -6.177 1.735 1.00 0.00 C ATOM 876 C ALA B 8 8.131 -4.729 2.206 1.00 0.00 C ATOM 877 O ALA B 8 8.995 -3.919 1.870 1.00 0.00 O ATOM 878 CB ALA B 8 7.434 -6.345 0.429 1.00 0.00 C ATOM 0 H ALA B 8 6.761 -7.490 2.513 1.00 0.00 H new ATOM 0 HA ALA B 8 9.241 -6.431 1.567 1.00 0.00 H new ATOM 0 HB1 ALA B 8 7.841 -5.664 -0.319 1.00 0.00 H new ATOM 0 HB2 ALA B 8 7.536 -7.372 0.078 1.00 0.00 H new ATOM 0 HB3 ALA B 8 6.380 -6.119 0.590 1.00 0.00 H new ATOM 884 N GLN B 9 7.108 -4.410 2.990 1.00 0.00 N ATOM 885 CA GLN B 9 6.940 -3.058 3.509 1.00 0.00 C ATOM 886 C GLN B 9 8.082 -2.701 4.452 1.00 0.00 C ATOM 887 O GLN B 9 8.513 -1.549 4.513 1.00 0.00 O ATOM 888 CB GLN B 9 5.599 -2.926 4.233 1.00 0.00 C ATOM 889 CG GLN B 9 4.425 -2.675 3.302 1.00 0.00 C ATOM 890 CD GLN B 9 3.103 -3.098 3.907 1.00 0.00 C ATOM 891 OE1 GLN B 9 2.950 -3.142 5.128 1.00 0.00 O ATOM 892 NE2 GLN B 9 2.137 -3.414 3.053 1.00 0.00 N ATOM 0 H GLN B 9 6.384 -5.067 3.280 1.00 0.00 H new ATOM 0 HA GLN B 9 6.953 -2.365 2.668 1.00 0.00 H new ATOM 0 HB2 GLN B 9 5.412 -3.837 4.802 1.00 0.00 H new ATOM 0 HB3 GLN B 9 5.663 -2.109 4.951 1.00 0.00 H new ATOM 0 HG2 GLN B 9 4.384 -1.615 3.053 1.00 0.00 H new ATOM 0 HG3 GLN B 9 4.583 -3.216 2.369 1.00 0.00 H new ATOM 0 HE21 GLN B 9 2.307 -3.363 2.049 1.00 0.00 H new ATOM 0 HE22 GLN B 9 1.224 -3.707 3.401 1.00 0.00 H new ATOM 901 N GLU B 10 8.574 -3.698 5.180 1.00 0.00 N ATOM 902 CA GLU B 10 9.673 -3.491 6.115 1.00 0.00 C ATOM 903 C GLU B 10 10.995 -3.330 5.371 1.00 0.00 C ATOM 904 O GLU B 10 11.907 -2.656 5.845 1.00 0.00 O ATOM 905 CB GLU B 10 9.764 -4.659 7.097 1.00 0.00 C ATOM 906 CG GLU B 10 10.660 -4.379 8.291 1.00 0.00 C ATOM 907 CD GLU B 10 10.665 -5.514 9.297 1.00 0.00 C ATOM 908 OE1 GLU B 10 10.882 -6.673 8.882 1.00 0.00 O ATOM 909 OE2 GLU B 10 10.453 -5.244 10.497 1.00 0.00 O ATOM 0 H GLU B 10 8.229 -4.657 5.140 1.00 0.00 H new ATOM 0 HA GLU B 10 9.476 -2.575 6.672 1.00 0.00 H new ATOM 0 HB2 GLU B 10 8.763 -4.902 7.453 1.00 0.00 H new ATOM 0 HB3 GLU B 10 10.137 -5.537 6.571 1.00 0.00 H new ATOM 0 HG2 GLU B 10 11.678 -4.203 7.943 1.00 0.00 H new ATOM 0 HG3 GLU B 10 10.328 -3.464 8.783 1.00 0.00 H new ATOM 916 N GLU B 11 11.091 -3.955 4.198 1.00 0.00 N ATOM 917 CA GLU B 11 12.300 -3.879 3.389 1.00 0.00 C ATOM 918 C GLU B 11 12.522 -2.464 2.877 1.00 0.00 C ATOM 919 O GLU B 11 13.648 -1.965 2.884 1.00 0.00 O ATOM 920 CB GLU B 11 12.219 -4.858 2.216 1.00 0.00 C ATOM 921 CG GLU B 11 13.509 -4.960 1.417 1.00 0.00 C ATOM 922 CD GLU B 11 14.662 -5.503 2.239 1.00 0.00 C ATOM 923 OE1 GLU B 11 14.404 -6.282 3.180 1.00 0.00 O ATOM 924 OE2 GLU B 11 15.822 -5.149 1.940 1.00 0.00 O ATOM 0 H GLU B 11 10.345 -4.518 3.790 1.00 0.00 H new ATOM 0 HA GLU B 11 13.147 -4.153 4.018 1.00 0.00 H new ATOM 0 HB2 GLU B 11 11.958 -5.846 2.596 1.00 0.00 H new ATOM 0 HB3 GLU B 11 11.413 -4.549 1.551 1.00 0.00 H new ATOM 0 HG2 GLU B 11 13.347 -5.605 0.554 1.00 0.00 H new ATOM 0 HG3 GLU B 11 13.773 -3.975 1.033 1.00 0.00 H new ATOM 931 N HIS B 12 11.449 -1.809 2.439 1.00 0.00 N ATOM 932 CA HIS B 12 11.567 -0.448 1.937 1.00 0.00 C ATOM 933 C HIS B 12 11.968 0.500 3.065 1.00 0.00 C ATOM 934 O HIS B 12 12.771 1.407 2.870 1.00 0.00 O ATOM 935 CB HIS B 12 10.261 0.035 1.288 1.00 0.00 C ATOM 936 CG HIS B 12 10.397 1.417 0.729 1.00 0.00 C ATOM 937 ND1 HIS B 12 10.373 1.721 -0.615 1.00 0.00 N ATOM 938 CD2 HIS B 12 10.687 2.569 1.373 1.00 0.00 C ATOM 939 CE1 HIS B 12 10.664 3.026 -0.742 1.00 0.00 C ATOM 940 NE2 HIS B 12 10.863 3.580 0.439 1.00 0.00 N ATOM 0 H HIS B 12 10.504 -2.193 2.422 1.00 0.00 H new ATOM 0 HA HIS B 12 12.342 -0.448 1.171 1.00 0.00 H new ATOM 0 HB2 HIS B 12 9.974 -0.653 0.492 1.00 0.00 H new ATOM 0 HB3 HIS B 12 9.460 0.019 2.027 1.00 0.00 H new ATOM 0 HD1 HIS B 12 10.171 1.072 -1.376 1.00 0.00 H new ATOM 0 HD2 HIS B 12 10.769 2.684 2.444 1.00 0.00 H new ATOM 0 HE1 HIS B 12 10.727 3.551 -1.684 1.00 0.00 H new ATOM 948 N GLU B 13 11.388 0.297 4.236 1.00 0.00 N ATOM 949 CA GLU B 13 11.673 1.146 5.386 1.00 0.00 C ATOM 950 C GLU B 13 13.132 1.038 5.843 1.00 0.00 C ATOM 951 O GLU B 13 13.580 1.838 6.664 1.00 0.00 O ATOM 952 CB GLU B 13 10.741 0.787 6.542 1.00 0.00 C ATOM 953 CG GLU B 13 9.311 1.257 6.336 1.00 0.00 C ATOM 954 CD GLU B 13 8.724 1.909 7.575 1.00 0.00 C ATOM 955 OE1 GLU B 13 9.290 1.719 8.673 1.00 0.00 O ATOM 956 OE2 GLU B 13 7.698 2.610 7.446 1.00 0.00 O ATOM 0 H GLU B 13 10.716 -0.448 4.418 1.00 0.00 H new ATOM 0 HA GLU B 13 11.503 2.177 5.077 1.00 0.00 H new ATOM 0 HB2 GLU B 13 10.744 -0.294 6.678 1.00 0.00 H new ATOM 0 HB3 GLU B 13 11.130 1.225 7.461 1.00 0.00 H new ATOM 0 HG2 GLU B 13 9.282 1.966 5.509 1.00 0.00 H new ATOM 0 HG3 GLU B 13 8.691 0.407 6.049 1.00 0.00 H new ATOM 963 N LYS B 14 13.869 0.046 5.340 1.00 0.00 N ATOM 964 CA LYS B 14 15.260 -0.134 5.746 1.00 0.00 C ATOM 965 C LYS B 14 16.256 0.277 4.657 1.00 0.00 C ATOM 966 O LYS B 14 17.424 0.531 4.954 1.00 0.00 O ATOM 967 CB LYS B 14 15.504 -1.589 6.149 1.00 0.00 C ATOM 968 CG LYS B 14 16.454 -1.741 7.325 1.00 0.00 C ATOM 969 CD LYS B 14 16.951 -3.171 7.460 1.00 0.00 C ATOM 970 CE LYS B 14 16.148 -3.946 8.490 1.00 0.00 C ATOM 971 NZ LYS B 14 16.735 -3.832 9.854 1.00 0.00 N ATOM 0 H LYS B 14 13.530 -0.635 4.661 1.00 0.00 H new ATOM 0 HA LYS B 14 15.428 0.524 6.599 1.00 0.00 H new ATOM 0 HB2 LYS B 14 14.550 -2.053 6.400 1.00 0.00 H new ATOM 0 HB3 LYS B 14 15.907 -2.132 5.294 1.00 0.00 H new ATOM 0 HG2 LYS B 14 17.304 -1.070 7.196 1.00 0.00 H new ATOM 0 HG3 LYS B 14 15.948 -1.442 8.243 1.00 0.00 H new ATOM 0 HD2 LYS B 14 16.886 -3.672 6.494 1.00 0.00 H new ATOM 0 HD3 LYS B 14 18.003 -3.166 7.746 1.00 0.00 H new ATOM 0 HE2 LYS B 14 15.123 -3.576 8.504 1.00 0.00 H new ATOM 0 HE3 LYS B 14 16.104 -4.996 8.201 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 16.157 -4.375 10.527 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 17.704 -4.209 9.847 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 16.754 -2.833 10.141 1.00 0.00 H new ATOM 985 N TYR B 15 15.817 0.330 3.400 1.00 0.00 N ATOM 986 CA TYR B 15 16.720 0.699 2.308 1.00 0.00 C ATOM 987 C TYR B 15 16.007 1.444 1.174 1.00 0.00 C ATOM 988 O TYR B 15 16.531 1.528 0.063 1.00 0.00 O ATOM 989 CB TYR B 15 17.385 -0.557 1.744 1.00 0.00 C ATOM 990 CG TYR B 15 18.018 -1.439 2.796 1.00 0.00 C ATOM 991 CD1 TYR B 15 19.298 -1.173 3.271 1.00 0.00 C ATOM 992 CD2 TYR B 15 17.343 -2.539 3.311 1.00 0.00 C ATOM 993 CE1 TYR B 15 19.884 -1.978 4.229 1.00 0.00 C ATOM 994 CE2 TYR B 15 17.924 -3.348 4.269 1.00 0.00 C ATOM 995 CZ TYR B 15 19.194 -3.063 4.725 1.00 0.00 C ATOM 996 OH TYR B 15 19.775 -3.867 5.678 1.00 0.00 O ATOM 0 H TYR B 15 14.859 0.126 3.114 1.00 0.00 H new ATOM 0 HA TYR B 15 17.465 1.376 2.726 1.00 0.00 H new ATOM 0 HB2 TYR B 15 16.641 -1.136 1.198 1.00 0.00 H new ATOM 0 HB3 TYR B 15 18.149 -0.260 1.025 1.00 0.00 H new ATOM 0 HD1 TYR B 15 19.842 -0.324 2.885 1.00 0.00 H new ATOM 0 HD2 TYR B 15 16.348 -2.765 2.957 1.00 0.00 H new ATOM 0 HE1 TYR B 15 20.879 -1.758 4.588 1.00 0.00 H new ATOM 0 HE2 TYR B 15 17.386 -4.199 4.659 1.00 0.00 H new ATOM 0 HH TYR B 15 19.155 -4.586 5.921 1.00 0.00 H new ATOM 1006 N HIS B 16 14.814 1.976 1.451 1.00 0.00 N ATOM 1007 CA HIS B 16 14.017 2.707 0.452 1.00 0.00 C ATOM 1008 C HIS B 16 14.048 2.031 -0.923 1.00 0.00 C ATOM 1009 O HIS B 16 14.174 2.692 -1.953 1.00 0.00 O ATOM 1010 CB HIS B 16 14.477 4.165 0.333 1.00 0.00 C ATOM 1011 CG HIS B 16 14.257 4.970 1.580 1.00 0.00 C ATOM 1012 ND1 HIS B 16 13.041 5.555 1.881 1.00 0.00 N ATOM 1013 CD2 HIS B 16 15.138 5.266 2.569 1.00 0.00 C ATOM 1014 CE1 HIS B 16 13.214 6.181 3.029 1.00 0.00 C ATOM 1015 NE2 HIS B 16 14.468 6.036 3.485 1.00 0.00 N ATOM 0 H HIS B 16 14.372 1.915 2.368 1.00 0.00 H new ATOM 0 HA HIS B 16 12.986 2.691 0.806 1.00 0.00 H new ATOM 0 HB2 HIS B 16 15.538 4.183 0.082 1.00 0.00 H new ATOM 0 HB3 HIS B 16 13.946 4.638 -0.493 1.00 0.00 H new ATOM 0 HD1 HIS B 16 12.185 5.511 1.328 1.00 0.00 H new ATOM 0 HD2 HIS B 16 16.171 4.954 2.624 1.00 0.00 H new ATOM 0 HE1 HIS B 16 12.443 6.740 3.538 1.00 0.00 H new ATOM 1023 N SER B 17 13.937 0.706 -0.920 1.00 0.00 N ATOM 1024 CA SER B 17 13.956 -0.071 -2.154 1.00 0.00 C ATOM 1025 C SER B 17 12.830 0.358 -3.093 1.00 0.00 C ATOM 1026 O SER B 17 11.695 0.565 -2.663 1.00 0.00 O ATOM 1027 CB SER B 17 13.831 -1.562 -1.839 1.00 0.00 C ATOM 1028 OG SER B 17 15.049 -2.080 -1.331 1.00 0.00 O ATOM 0 H SER B 17 13.833 0.147 -0.073 1.00 0.00 H new ATOM 0 HA SER B 17 14.907 0.114 -2.654 1.00 0.00 H new ATOM 0 HB2 SER B 17 13.034 -1.718 -1.111 1.00 0.00 H new ATOM 0 HB3 SER B 17 13.549 -2.105 -2.741 1.00 0.00 H new ATOM 0 HG SER B 17 14.942 -3.034 -1.136 1.00 0.00 H new ATOM 1034 N ASN B 18 13.153 0.486 -4.376 1.00 0.00 N ATOM 1035 CA ASN B 18 12.170 0.886 -5.379 1.00 0.00 C ATOM 1036 C ASN B 18 11.201 -0.255 -5.673 1.00 0.00 C ATOM 1037 O ASN B 18 11.380 -1.371 -5.189 1.00 0.00 O ATOM 1038 CB ASN B 18 12.872 1.321 -6.665 1.00 0.00 C ATOM 1039 CG ASN B 18 13.709 2.571 -6.472 1.00 0.00 C ATOM 1040 OD1 ASN B 18 13.660 3.210 -5.422 1.00 0.00 O ATOM 1041 ND2 ASN B 18 14.484 2.927 -7.490 1.00 0.00 N ATOM 0 H ASN B 18 14.088 0.319 -4.747 1.00 0.00 H new ATOM 0 HA ASN B 18 11.602 1.728 -4.983 1.00 0.00 H new ATOM 0 HB2 ASN B 18 13.510 0.511 -7.020 1.00 0.00 H new ATOM 0 HB3 ASN B 18 12.127 1.502 -7.439 1.00 0.00 H new ATOM 0 HD21 ASN B 18 15.069 3.759 -7.419 1.00 0.00 H new ATOM 0 HD22 ASN B 18 14.494 2.368 -8.343 1.00 0.00 H new ATOM 1048 N VAL B 19 10.173 0.031 -6.469 1.00 0.00 N ATOM 1049 CA VAL B 19 9.173 -0.977 -6.820 1.00 0.00 C ATOM 1050 C VAL B 19 9.820 -2.220 -7.426 1.00 0.00 C ATOM 1051 O VAL B 19 9.565 -3.340 -6.984 1.00 0.00 O ATOM 1052 CB VAL B 19 8.130 -0.414 -7.810 1.00 0.00 C ATOM 1053 CG1 VAL B 19 7.020 -1.422 -8.071 1.00 0.00 C ATOM 1054 CG2 VAL B 19 7.549 0.880 -7.276 1.00 0.00 C ATOM 0 H VAL B 19 10.010 0.949 -6.882 1.00 0.00 H new ATOM 0 HA VAL B 19 8.671 -1.255 -5.893 1.00 0.00 H new ATOM 0 HB VAL B 19 8.633 -0.215 -8.756 1.00 0.00 H new ATOM 0 HG11 VAL B 19 6.301 -0.998 -8.771 1.00 0.00 H new ATOM 0 HG12 VAL B 19 7.446 -2.331 -8.495 1.00 0.00 H new ATOM 0 HG13 VAL B 19 6.517 -1.660 -7.134 1.00 0.00 H new ATOM 0 HG21 VAL B 19 6.815 1.268 -7.982 1.00 0.00 H new ATOM 0 HG22 VAL B 19 7.066 0.694 -6.317 1.00 0.00 H new ATOM 0 HG23 VAL B 19 8.347 1.610 -7.145 1.00 0.00 H new ATOM 1064 N LYS B 20 10.657 -2.014 -8.437 1.00 0.00 N ATOM 1065 CA LYS B 20 11.342 -3.122 -9.101 1.00 0.00 C ATOM 1066 C LYS B 20 12.121 -3.966 -8.093 1.00 0.00 C ATOM 1067 O LYS B 20 12.208 -5.185 -8.224 1.00 0.00 O ATOM 1068 CB LYS B 20 12.288 -2.593 -10.185 1.00 0.00 C ATOM 1069 CG LYS B 20 13.076 -3.680 -10.905 1.00 0.00 C ATOM 1070 CD LYS B 20 12.169 -4.779 -11.438 1.00 0.00 C ATOM 1071 CE LYS B 20 12.607 -5.246 -12.816 1.00 0.00 C ATOM 1072 NZ LYS B 20 11.911 -6.498 -13.226 1.00 0.00 N ATOM 0 H LYS B 20 10.879 -1.093 -8.815 1.00 0.00 H new ATOM 0 HA LYS B 20 10.586 -3.754 -9.568 1.00 0.00 H new ATOM 0 HB2 LYS B 20 11.707 -2.034 -10.918 1.00 0.00 H new ATOM 0 HB3 LYS B 20 12.988 -1.892 -9.731 1.00 0.00 H new ATOM 0 HG2 LYS B 20 13.634 -3.238 -11.730 1.00 0.00 H new ATOM 0 HG3 LYS B 20 13.807 -4.112 -10.221 1.00 0.00 H new ATOM 0 HD2 LYS B 20 12.175 -5.623 -10.748 1.00 0.00 H new ATOM 0 HD3 LYS B 20 11.143 -4.414 -11.486 1.00 0.00 H new ATOM 0 HE2 LYS B 20 12.405 -4.462 -13.546 1.00 0.00 H new ATOM 0 HE3 LYS B 20 13.684 -5.412 -12.817 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 12.238 -6.783 -14.171 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 12.124 -7.253 -12.544 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 10.884 -6.333 -13.250 1.00 0.00 H new ATOM 1086 N GLU B 21 12.676 -3.305 -7.085 1.00 0.00 N ATOM 1087 CA GLU B 21 13.439 -3.992 -6.052 1.00 0.00 C ATOM 1088 C GLU B 21 12.520 -4.851 -5.191 1.00 0.00 C ATOM 1089 O GLU B 21 12.799 -6.026 -4.949 1.00 0.00 O ATOM 1090 CB GLU B 21 14.182 -2.980 -5.184 1.00 0.00 C ATOM 1091 CG GLU B 21 15.048 -3.618 -4.111 1.00 0.00 C ATOM 1092 CD GLU B 21 16.214 -4.392 -4.692 1.00 0.00 C ATOM 1093 OE1 GLU B 21 17.260 -3.770 -4.973 1.00 0.00 O ATOM 1094 OE2 GLU B 21 16.081 -5.622 -4.868 1.00 0.00 O ATOM 0 H GLU B 21 12.612 -2.295 -6.961 1.00 0.00 H new ATOM 0 HA GLU B 21 14.168 -4.643 -6.535 1.00 0.00 H new ATOM 0 HB2 GLU B 21 14.809 -2.358 -5.822 1.00 0.00 H new ATOM 0 HB3 GLU B 21 13.457 -2.320 -4.709 1.00 0.00 H new ATOM 0 HG2 GLU B 21 15.426 -2.842 -3.445 1.00 0.00 H new ATOM 0 HG3 GLU B 21 14.437 -4.288 -3.506 1.00 0.00 H new ATOM 1101 N LEU B 22 11.419 -4.261 -4.737 1.00 0.00 N ATOM 1102 CA LEU B 22 10.454 -4.975 -3.908 1.00 0.00 C ATOM 1103 C LEU B 22 9.823 -6.126 -4.684 1.00 0.00 C ATOM 1104 O LEU B 22 9.647 -7.223 -4.156 1.00 0.00 O ATOM 1105 CB LEU B 22 9.356 -4.022 -3.421 1.00 0.00 C ATOM 1106 CG LEU B 22 9.717 -3.145 -2.217 1.00 0.00 C ATOM 1107 CD1 LEU B 22 10.313 -3.978 -1.094 1.00 0.00 C ATOM 1108 CD2 LEU B 22 10.675 -2.039 -2.629 1.00 0.00 C ATOM 0 H LEU B 22 11.173 -3.290 -4.929 1.00 0.00 H new ATOM 0 HA LEU B 22 10.985 -5.379 -3.046 1.00 0.00 H new ATOM 0 HB2 LEU B 22 9.073 -3.371 -4.248 1.00 0.00 H new ATOM 0 HB3 LEU B 22 8.476 -4.613 -3.165 1.00 0.00 H new ATOM 0 HG LEU B 22 8.800 -2.687 -1.847 1.00 0.00 H new ATOM 0 HD11 LEU B 22 10.560 -3.331 -0.252 1.00 0.00 H new ATOM 0 HD12 LEU B 22 9.590 -4.729 -0.775 1.00 0.00 H new ATOM 0 HD13 LEU B 22 11.217 -4.473 -1.449 1.00 0.00 H new ATOM 0 HD21 LEU B 22 10.919 -1.427 -1.761 1.00 0.00 H new ATOM 0 HD22 LEU B 22 11.587 -2.479 -3.031 1.00 0.00 H new ATOM 0 HD23 LEU B 22 10.206 -1.417 -3.391 1.00 0.00 H new ATOM 1120 N SER B 23 9.474 -5.859 -5.938 1.00 0.00 N ATOM 1121 CA SER B 23 8.851 -6.864 -6.791 1.00 0.00 C ATOM 1122 C SER B 23 9.852 -7.940 -7.206 1.00 0.00 C ATOM 1123 O SER B 23 9.526 -9.128 -7.222 1.00 0.00 O ATOM 1124 CB SER B 23 8.265 -6.200 -8.038 1.00 0.00 C ATOM 1125 OG SER B 23 7.868 -7.169 -8.994 1.00 0.00 O ATOM 0 H SER B 23 9.612 -4.953 -6.387 1.00 0.00 H new ATOM 0 HA SER B 23 8.055 -7.341 -6.220 1.00 0.00 H new ATOM 0 HB2 SER B 23 7.408 -5.588 -7.759 1.00 0.00 H new ATOM 0 HB3 SER B 23 9.004 -5.531 -8.479 1.00 0.00 H new ATOM 0 HG SER B 23 6.977 -7.507 -8.767 1.00 0.00 H new ATOM 1131 N HIS B 24 11.063 -7.519 -7.547 1.00 0.00 N ATOM 1132 CA HIS B 24 12.099 -8.451 -7.973 1.00 0.00 C ATOM 1133 C HIS B 24 12.694 -9.205 -6.788 1.00 0.00 C ATOM 1134 O HIS B 24 13.162 -10.335 -6.936 1.00 0.00 O ATOM 1135 CB HIS B 24 13.203 -7.708 -8.730 1.00 0.00 C ATOM 1136 CG HIS B 24 14.084 -8.610 -9.537 1.00 0.00 C ATOM 1137 ND1 HIS B 24 15.251 -8.154 -10.100 1.00 0.00 N ATOM 1138 CD2 HIS B 24 13.922 -9.917 -9.849 1.00 0.00 C ATOM 1139 CE1 HIS B 24 15.771 -9.186 -10.738 1.00 0.00 C ATOM 1140 NE2 HIS B 24 15.002 -10.278 -10.614 1.00 0.00 N ATOM 0 H HIS B 24 11.352 -6.541 -7.537 1.00 0.00 H new ATOM 0 HA HIS B 24 11.636 -9.180 -8.638 1.00 0.00 H new ATOM 0 HB2 HIS B 24 12.747 -6.972 -9.392 1.00 0.00 H new ATOM 0 HB3 HIS B 24 13.816 -7.158 -8.016 1.00 0.00 H new ATOM 0 HD2 HIS B 24 13.101 -10.553 -9.553 1.00 0.00 H new ATOM 0 HE1 HIS B 24 16.699 -9.155 -11.290 1.00 0.00 H new ATOM 0 HE2 HIS B 24 15.185 -11.199 -11.012 1.00 0.00 H new ATOM 1148 N LYS B 25 12.682 -8.581 -5.614 1.00 0.00 N ATOM 1149 CA LYS B 25 13.230 -9.210 -4.418 1.00 0.00 C ATOM 1150 C LYS B 25 12.241 -10.200 -3.811 1.00 0.00 C ATOM 1151 O LYS B 25 12.604 -11.330 -3.480 1.00 0.00 O ATOM 1152 CB LYS B 25 13.609 -8.150 -3.381 1.00 0.00 C ATOM 1153 CG LYS B 25 14.407 -8.704 -2.211 1.00 0.00 C ATOM 1154 CD LYS B 25 14.391 -7.753 -1.025 1.00 0.00 C ATOM 1155 CE LYS B 25 15.145 -8.332 0.161 1.00 0.00 C ATOM 1156 NZ LYS B 25 16.608 -8.069 0.072 1.00 0.00 N ATOM 0 H LYS B 25 12.301 -7.646 -5.466 1.00 0.00 H new ATOM 0 HA LYS B 25 14.125 -9.758 -4.712 1.00 0.00 H new ATOM 0 HB2 LYS B 25 14.190 -7.367 -3.869 1.00 0.00 H new ATOM 0 HB3 LYS B 25 12.700 -7.683 -3.002 1.00 0.00 H new ATOM 0 HG2 LYS B 25 13.994 -9.667 -1.912 1.00 0.00 H new ATOM 0 HG3 LYS B 25 15.436 -8.881 -2.523 1.00 0.00 H new ATOM 0 HD2 LYS B 25 14.839 -6.802 -1.313 1.00 0.00 H new ATOM 0 HD3 LYS B 25 13.360 -7.546 -0.737 1.00 0.00 H new ATOM 0 HE2 LYS B 25 14.755 -7.903 1.084 1.00 0.00 H new ATOM 0 HE3 LYS B 25 14.972 -9.407 0.211 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 17.086 -8.480 0.899 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 16.986 -8.500 -0.796 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 16.776 -7.043 0.050 1.00 0.00 H new ATOM 1170 N PHE B 26 10.993 -9.769 -3.655 1.00 0.00 N ATOM 1171 CA PHE B 26 9.959 -10.620 -3.076 1.00 0.00 C ATOM 1172 C PHE B 26 9.167 -11.350 -4.156 1.00 0.00 C ATOM 1173 O PHE B 26 9.054 -12.576 -4.134 1.00 0.00 O ATOM 1174 CB PHE B 26 9.017 -9.788 -2.204 1.00 0.00 C ATOM 1175 CG PHE B 26 9.663 -9.293 -0.942 1.00 0.00 C ATOM 1176 CD1 PHE B 26 10.348 -8.090 -0.924 1.00 0.00 C ATOM 1177 CD2 PHE B 26 9.592 -10.038 0.224 1.00 0.00 C ATOM 1178 CE1 PHE B 26 10.949 -7.635 0.232 1.00 0.00 C ATOM 1179 CE2 PHE B 26 10.191 -9.588 1.386 1.00 0.00 C ATOM 1180 CZ PHE B 26 10.870 -8.386 1.391 1.00 0.00 C ATOM 0 H PHE B 26 10.674 -8.837 -3.921 1.00 0.00 H new ATOM 0 HA PHE B 26 10.452 -11.370 -2.458 1.00 0.00 H new ATOM 0 HB2 PHE B 26 8.658 -8.935 -2.780 1.00 0.00 H new ATOM 0 HB3 PHE B 26 8.145 -10.389 -1.947 1.00 0.00 H new ATOM 0 HD1 PHE B 26 10.413 -7.500 -1.826 1.00 0.00 H new ATOM 0 HD2 PHE B 26 9.063 -10.980 0.225 1.00 0.00 H new ATOM 0 HE1 PHE B 26 11.480 -6.695 0.232 1.00 0.00 H new ATOM 0 HE2 PHE B 26 10.128 -10.177 2.289 1.00 0.00 H new ATOM 0 HZ PHE B 26 11.338 -8.033 2.298 1.00 0.00 H new ATOM 1190 N GLY B 27 8.615 -10.594 -5.101 1.00 0.00 N ATOM 1191 CA GLY B 27 7.837 -11.194 -6.171 1.00 0.00 C ATOM 1192 C GLY B 27 6.534 -10.463 -6.447 1.00 0.00 C ATOM 1193 O GLY B 27 5.903 -10.680 -7.481 1.00 0.00 O ATOM 0 H GLY B 27 8.692 -9.578 -5.145 1.00 0.00 H new ATOM 0 HA2 GLY B 27 8.436 -11.211 -7.081 1.00 0.00 H new ATOM 0 HA3 GLY B 27 7.617 -12.230 -5.914 1.00 0.00 H new ATOM 1197 N ILE B 28 6.125 -9.593 -5.525 1.00 0.00 N ATOM 1198 CA ILE B 28 4.888 -8.832 -5.682 1.00 0.00 C ATOM 1199 C ILE B 28 4.917 -7.998 -6.962 1.00 0.00 C ATOM 1200 O ILE B 28 5.959 -7.457 -7.323 1.00 0.00 O ATOM 1201 CB ILE B 28 4.643 -7.892 -4.481 1.00 0.00 C ATOM 1202 CG1 ILE B 28 5.932 -7.158 -4.096 1.00 0.00 C ATOM 1203 CG2 ILE B 28 4.099 -8.675 -3.298 1.00 0.00 C ATOM 1204 CD1 ILE B 28 5.708 -5.979 -3.177 1.00 0.00 C ATOM 0 H ILE B 28 6.632 -9.398 -4.662 1.00 0.00 H new ATOM 0 HA ILE B 28 4.077 -9.558 -5.736 1.00 0.00 H new ATOM 0 HB ILE B 28 3.902 -7.147 -4.772 1.00 0.00 H new ATOM 0 HG12 ILE B 28 6.609 -7.861 -3.612 1.00 0.00 H new ATOM 0 HG13 ILE B 28 6.427 -6.812 -5.003 1.00 0.00 H new ATOM 0 HG21 ILE B 28 3.932 -7.998 -2.460 1.00 0.00 H new ATOM 0 HG22 ILE B 28 3.157 -9.148 -3.577 1.00 0.00 H new ATOM 0 HG23 ILE B 28 4.817 -9.442 -3.008 1.00 0.00 H new ATOM 0 HD11 ILE B 28 6.665 -5.509 -2.948 1.00 0.00 H new ATOM 0 HD12 ILE B 28 5.056 -5.255 -3.666 1.00 0.00 H new ATOM 0 HD13 ILE B 28 5.241 -6.321 -2.253 1.00 0.00 H new ATOM 1216 N PRO B 29 3.777 -7.872 -7.674 1.00 0.00 N ATOM 1217 CA PRO B 29 3.713 -7.092 -8.911 1.00 0.00 C ATOM 1218 C PRO B 29 4.224 -5.667 -8.713 1.00 0.00 C ATOM 1219 O PRO B 29 4.439 -5.224 -7.585 1.00 0.00 O ATOM 1220 CB PRO B 29 2.224 -7.092 -9.284 1.00 0.00 C ATOM 1221 CG PRO B 29 1.503 -7.597 -8.080 1.00 0.00 C ATOM 1222 CD PRO B 29 2.474 -8.470 -7.339 1.00 0.00 C ATOM 0 HA PRO B 29 4.344 -7.519 -9.691 1.00 0.00 H new ATOM 0 HB2 PRO B 29 1.887 -6.090 -9.549 1.00 0.00 H new ATOM 0 HB3 PRO B 29 2.037 -7.730 -10.148 1.00 0.00 H new ATOM 0 HG2 PRO B 29 1.167 -6.771 -7.453 1.00 0.00 H new ATOM 0 HG3 PRO B 29 0.615 -8.160 -8.367 1.00 0.00 H new ATOM 0 HD2 PRO B 29 2.289 -8.459 -6.265 1.00 0.00 H new ATOM 0 HD3 PRO B 29 2.411 -9.509 -7.663 1.00 0.00 H new ATOM 1230 N ASN B 30 4.426 -4.959 -9.819 1.00 0.00 N ATOM 1231 CA ASN B 30 4.925 -3.589 -9.772 1.00 0.00 C ATOM 1232 C ASN B 30 3.947 -2.648 -9.075 1.00 0.00 C ATOM 1233 O ASN B 30 4.336 -1.583 -8.604 1.00 0.00 O ATOM 1234 CB ASN B 30 5.210 -3.082 -11.187 1.00 0.00 C ATOM 1235 CG ASN B 30 6.278 -3.895 -11.890 1.00 0.00 C ATOM 1236 OD1 ASN B 30 6.108 -5.090 -12.128 1.00 0.00 O ATOM 1237 ND2 ASN B 30 7.388 -3.248 -12.226 1.00 0.00 N ATOM 0 H ASN B 30 4.252 -5.312 -10.760 1.00 0.00 H new ATOM 0 HA ASN B 30 5.848 -3.599 -9.192 1.00 0.00 H new ATOM 0 HB2 ASN B 30 4.291 -3.112 -11.772 1.00 0.00 H new ATOM 0 HB3 ASN B 30 5.524 -2.039 -11.140 1.00 0.00 H new ATOM 0 HD21 ASN B 30 8.143 -3.743 -12.701 1.00 0.00 H new ATOM 0 HD22 ASN B 30 7.486 -2.256 -12.009 1.00 0.00 H new ATOM 1244 N LEU B 31 2.678 -3.030 -9.013 1.00 0.00 N ATOM 1245 CA LEU B 31 1.675 -2.193 -8.370 1.00 0.00 C ATOM 1246 C LEU B 31 1.721 -2.359 -6.854 1.00 0.00 C ATOM 1247 O LEU B 31 1.813 -1.380 -6.118 1.00 0.00 O ATOM 1248 CB LEU B 31 0.279 -2.529 -8.903 1.00 0.00 C ATOM 1249 CG LEU B 31 -0.878 -1.797 -8.219 1.00 0.00 C ATOM 1250 CD1 LEU B 31 -1.052 -0.406 -8.807 1.00 0.00 C ATOM 1251 CD2 LEU B 31 -2.164 -2.600 -8.349 1.00 0.00 C ATOM 0 H LEU B 31 2.322 -3.906 -9.396 1.00 0.00 H new ATOM 0 HA LEU B 31 1.897 -1.152 -8.605 1.00 0.00 H new ATOM 0 HB2 LEU B 31 0.251 -2.302 -9.969 1.00 0.00 H new ATOM 0 HB3 LEU B 31 0.118 -3.602 -8.801 1.00 0.00 H new ATOM 0 HG LEU B 31 -0.643 -1.692 -7.160 1.00 0.00 H new ATOM 0 HD11 LEU B 31 -1.879 0.099 -8.308 1.00 0.00 H new ATOM 0 HD12 LEU B 31 -0.136 0.167 -8.662 1.00 0.00 H new ATOM 0 HD13 LEU B 31 -1.265 -0.486 -9.873 1.00 0.00 H new ATOM 0 HD21 LEU B 31 -2.977 -2.066 -7.858 1.00 0.00 H new ATOM 0 HD22 LEU B 31 -2.404 -2.735 -9.404 1.00 0.00 H new ATOM 0 HD23 LEU B 31 -2.033 -3.575 -7.879 1.00 0.00 H new ATOM 1263 N VAL B 32 1.665 -3.601 -6.388 1.00 0.00 N ATOM 1264 CA VAL B 32 1.711 -3.872 -4.955 1.00 0.00 C ATOM 1265 C VAL B 32 3.004 -3.328 -4.347 1.00 0.00 C ATOM 1266 O VAL B 32 3.032 -2.926 -3.186 1.00 0.00 O ATOM 1267 CB VAL B 32 1.589 -5.383 -4.660 1.00 0.00 C ATOM 1268 CG1 VAL B 32 1.609 -5.654 -3.160 1.00 0.00 C ATOM 1269 CG2 VAL B 32 0.322 -5.943 -5.286 1.00 0.00 C ATOM 0 H VAL B 32 1.588 -4.431 -6.976 1.00 0.00 H new ATOM 0 HA VAL B 32 0.860 -3.366 -4.499 1.00 0.00 H new ATOM 0 HB VAL B 32 2.450 -5.885 -5.102 1.00 0.00 H new ATOM 0 HG11 VAL B 32 1.521 -6.726 -2.983 1.00 0.00 H new ATOM 0 HG12 VAL B 32 2.546 -5.292 -2.737 1.00 0.00 H new ATOM 0 HG13 VAL B 32 0.774 -5.139 -2.686 1.00 0.00 H new ATOM 0 HG21 VAL B 32 0.250 -7.009 -5.070 1.00 0.00 H new ATOM 0 HG22 VAL B 32 -0.546 -5.429 -4.873 1.00 0.00 H new ATOM 0 HG23 VAL B 32 0.352 -5.793 -6.365 1.00 0.00 H new ATOM 1279 N ALA B 33 4.066 -3.310 -5.147 1.00 0.00 N ATOM 1280 CA ALA B 33 5.351 -2.801 -4.687 1.00 0.00 C ATOM 1281 C ALA B 33 5.335 -1.278 -4.635 1.00 0.00 C ATOM 1282 O ALA B 33 5.831 -0.672 -3.685 1.00 0.00 O ATOM 1283 CB ALA B 33 6.469 -3.289 -5.599 1.00 0.00 C ATOM 0 H ALA B 33 4.061 -3.641 -6.112 1.00 0.00 H new ATOM 0 HA ALA B 33 5.532 -3.178 -3.680 1.00 0.00 H new ATOM 0 HB1 ALA B 33 7.424 -2.901 -5.244 1.00 0.00 H new ATOM 0 HB2 ALA B 33 6.495 -4.379 -5.592 1.00 0.00 H new ATOM 0 HB3 ALA B 33 6.290 -2.937 -6.615 1.00 0.00 H new ATOM 1289 N ARG B 34 4.760 -0.665 -5.665 1.00 0.00 N ATOM 1290 CA ARG B 34 4.679 0.787 -5.740 1.00 0.00 C ATOM 1291 C ARG B 34 3.877 1.345 -4.563 1.00 0.00 C ATOM 1292 O ARG B 34 4.112 2.469 -4.116 1.00 0.00 O ATOM 1293 CB ARG B 34 4.090 1.217 -7.100 1.00 0.00 C ATOM 1294 CG ARG B 34 2.570 1.252 -7.167 1.00 0.00 C ATOM 1295 CD ARG B 34 2.036 2.675 -7.276 1.00 0.00 C ATOM 1296 NE ARG B 34 2.370 3.290 -8.561 1.00 0.00 N ATOM 1297 CZ ARG B 34 1.787 4.391 -9.036 1.00 0.00 C ATOM 1298 NH1 ARG B 34 0.840 5.011 -8.338 1.00 0.00 N ATOM 1299 NH2 ARG B 34 2.154 4.877 -10.215 1.00 0.00 N ATOM 0 H ARG B 34 4.344 -1.152 -6.458 1.00 0.00 H new ATOM 0 HA ARG B 34 5.683 1.205 -5.669 1.00 0.00 H new ATOM 0 HB2 ARG B 34 4.471 2.208 -7.346 1.00 0.00 H new ATOM 0 HB3 ARG B 34 4.456 0.535 -7.868 1.00 0.00 H new ATOM 0 HG2 ARG B 34 2.231 0.671 -8.025 1.00 0.00 H new ATOM 0 HG3 ARG B 34 2.157 0.777 -6.277 1.00 0.00 H new ATOM 0 HD2 ARG B 34 0.953 2.666 -7.149 1.00 0.00 H new ATOM 0 HD3 ARG B 34 2.447 3.279 -6.467 1.00 0.00 H new ATOM 0 HE ARG B 34 3.094 2.849 -9.129 1.00 0.00 H new ATOM 0 HH11 ARG B 34 0.553 4.645 -7.430 1.00 0.00 H new ATOM 0 HH12 ARG B 34 0.400 5.853 -8.710 1.00 0.00 H new ATOM 0 HH21 ARG B 34 2.881 4.408 -10.756 1.00 0.00 H new ATOM 0 HH22 ARG B 34 1.709 5.719 -10.580 1.00 0.00 H new ATOM 1313 N GLN B 35 2.941 0.545 -4.055 1.00 0.00 N ATOM 1314 CA GLN B 35 2.121 0.955 -2.922 1.00 0.00 C ATOM 1315 C GLN B 35 3.002 1.207 -1.704 1.00 0.00 C ATOM 1316 O GLN B 35 2.731 2.099 -0.898 1.00 0.00 O ATOM 1317 CB GLN B 35 1.081 -0.121 -2.603 1.00 0.00 C ATOM 1318 CG GLN B 35 -0.097 -0.131 -3.562 1.00 0.00 C ATOM 1319 CD GLN B 35 -1.373 -0.629 -2.912 1.00 0.00 C ATOM 1320 OE1 GLN B 35 -1.762 -1.785 -3.084 1.00 0.00 O ATOM 1321 NE2 GLN B 35 -2.031 0.242 -2.157 1.00 0.00 N ATOM 0 H GLN B 35 2.734 -0.388 -4.411 1.00 0.00 H new ATOM 0 HA GLN B 35 1.602 1.878 -3.181 1.00 0.00 H new ATOM 0 HB2 GLN B 35 1.563 -1.098 -2.623 1.00 0.00 H new ATOM 0 HB3 GLN B 35 0.712 0.031 -1.589 1.00 0.00 H new ATOM 0 HG2 GLN B 35 -0.258 0.877 -3.945 1.00 0.00 H new ATOM 0 HG3 GLN B 35 0.141 -0.763 -4.418 1.00 0.00 H new ATOM 0 HE21 GLN B 35 -1.673 1.190 -2.042 1.00 0.00 H new ATOM 0 HE22 GLN B 35 -2.895 -0.037 -1.692 1.00 0.00 H new ATOM 1330 N ILE B 36 4.067 0.419 -1.588 1.00 0.00 N ATOM 1331 CA ILE B 36 5.005 0.554 -0.484 1.00 0.00 C ATOM 1332 C ILE B 36 5.798 1.851 -0.617 1.00 0.00 C ATOM 1333 O ILE B 36 5.938 2.607 0.342 1.00 0.00 O ATOM 1334 CB ILE B 36 5.978 -0.645 -0.434 1.00 0.00 C ATOM 1335 CG1 ILE B 36 5.191 -1.955 -0.384 1.00 0.00 C ATOM 1336 CG2 ILE B 36 6.914 -0.535 0.762 1.00 0.00 C ATOM 1337 CD1 ILE B 36 6.066 -3.190 -0.378 1.00 0.00 C ATOM 0 H ILE B 36 4.300 -0.322 -2.249 1.00 0.00 H new ATOM 0 HA ILE B 36 4.430 0.576 0.442 1.00 0.00 H new ATOM 0 HB ILE B 36 6.587 -0.635 -1.338 1.00 0.00 H new ATOM 0 HG12 ILE B 36 4.566 -1.959 0.509 1.00 0.00 H new ATOM 0 HG13 ILE B 36 4.521 -1.999 -1.243 1.00 0.00 H new ATOM 0 HG21 ILE B 36 7.589 -1.391 0.775 1.00 0.00 H new ATOM 0 HG22 ILE B 36 7.495 0.384 0.686 1.00 0.00 H new ATOM 0 HG23 ILE B 36 6.329 -0.520 1.682 1.00 0.00 H new ATOM 0 HD11 ILE B 36 5.438 -4.080 -0.342 1.00 0.00 H new ATOM 0 HD12 ILE B 36 6.673 -3.210 -1.283 1.00 0.00 H new ATOM 0 HD13 ILE B 36 6.718 -3.170 0.495 1.00 0.00 H new ATOM 1349 N VAL B 37 6.302 2.103 -1.820 1.00 0.00 N ATOM 1350 CA VAL B 37 7.067 3.312 -2.090 1.00 0.00 C ATOM 1351 C VAL B 37 6.164 4.538 -2.018 1.00 0.00 C ATOM 1352 O VAL B 37 6.559 5.591 -1.515 1.00 0.00 O ATOM 1353 CB VAL B 37 7.737 3.258 -3.475 1.00 0.00 C ATOM 1354 CG1 VAL B 37 8.650 4.456 -3.679 1.00 0.00 C ATOM 1355 CG2 VAL B 37 8.506 1.956 -3.645 1.00 0.00 C ATOM 0 H VAL B 37 6.194 1.485 -2.624 1.00 0.00 H new ATOM 0 HA VAL B 37 7.845 3.382 -1.330 1.00 0.00 H new ATOM 0 HB VAL B 37 6.957 3.296 -4.235 1.00 0.00 H new ATOM 0 HG11 VAL B 37 9.113 4.397 -4.664 1.00 0.00 H new ATOM 0 HG12 VAL B 37 8.067 5.374 -3.606 1.00 0.00 H new ATOM 0 HG13 VAL B 37 9.426 4.457 -2.913 1.00 0.00 H new ATOM 0 HG21 VAL B 37 8.973 1.935 -4.630 1.00 0.00 H new ATOM 0 HG22 VAL B 37 9.276 1.885 -2.877 1.00 0.00 H new ATOM 0 HG23 VAL B 37 7.821 1.114 -3.551 1.00 0.00 H new ATOM 1365 N ASN B 38 4.945 4.386 -2.523 1.00 0.00 N ATOM 1366 CA ASN B 38 3.969 5.468 -2.520 1.00 0.00 C ATOM 1367 C ASN B 38 3.604 5.865 -1.093 1.00 0.00 C ATOM 1368 O ASN B 38 3.292 7.024 -0.823 1.00 0.00 O ATOM 1369 CB ASN B 38 2.711 5.048 -3.282 1.00 0.00 C ATOM 1370 CG ASN B 38 1.827 6.229 -3.634 1.00 0.00 C ATOM 1371 OD1 ASN B 38 1.542 7.079 -2.791 1.00 0.00 O ATOM 1372 ND2 ASN B 38 1.387 6.284 -4.885 1.00 0.00 N ATOM 0 H ASN B 38 4.608 3.519 -2.942 1.00 0.00 H new ATOM 0 HA ASN B 38 4.415 6.330 -3.016 1.00 0.00 H new ATOM 0 HB2 ASN B 38 2.999 4.528 -4.196 1.00 0.00 H new ATOM 0 HB3 ASN B 38 2.143 4.340 -2.678 1.00 0.00 H new ATOM 0 HD21 ASN B 38 0.787 7.054 -5.181 1.00 0.00 H new ATOM 0 HD22 ASN B 38 1.649 5.557 -5.550 1.00 0.00 H new ATOM 1379 N SER B 39 3.649 4.898 -0.183 1.00 0.00 N ATOM 1380 CA SER B 39 3.326 5.153 1.215 1.00 0.00 C ATOM 1381 C SER B 39 4.457 5.920 1.895 1.00 0.00 C ATOM 1382 O SER B 39 4.221 6.724 2.797 1.00 0.00 O ATOM 1383 CB SER B 39 3.071 3.835 1.951 1.00 0.00 C ATOM 1384 OG SER B 39 1.797 3.308 1.624 1.00 0.00 O ATOM 0 H SER B 39 3.906 3.932 -0.388 1.00 0.00 H new ATOM 0 HA SER B 39 2.421 5.759 1.253 1.00 0.00 H new ATOM 0 HB2 SER B 39 3.845 3.113 1.690 1.00 0.00 H new ATOM 0 HB3 SER B 39 3.136 3.997 3.027 1.00 0.00 H new ATOM 0 HG SER B 39 1.857 2.804 0.786 1.00 0.00 H new ATOM 1390 N CYS B 40 5.684 5.665 1.452 1.00 0.00 N ATOM 1391 CA CYS B 40 6.855 6.330 2.008 1.00 0.00 C ATOM 1392 C CYS B 40 6.803 7.831 1.742 1.00 0.00 C ATOM 1393 O CYS B 40 6.721 8.265 0.592 1.00 0.00 O ATOM 1394 CB CYS B 40 8.131 5.734 1.409 1.00 0.00 C ATOM 1395 SG CYS B 40 9.657 6.466 2.041 1.00 0.00 S ATOM 0 H CYS B 40 5.892 5.000 0.707 1.00 0.00 H new ATOM 0 HA CYS B 40 6.860 6.173 3.087 1.00 0.00 H new ATOM 0 HB2 CYS B 40 8.146 4.662 1.607 1.00 0.00 H new ATOM 0 HB3 CYS B 40 8.103 5.858 0.326 1.00 0.00 H new ATOM 0 HG CYS B 40 10.512 6.593 1.070 1.00 0.00 H new ATOM 1400 N ALA B 41 6.847 8.621 2.811 1.00 0.00 N ATOM 1401 CA ALA B 41 6.800 10.075 2.691 1.00 0.00 C ATOM 1402 C ALA B 41 8.089 10.624 2.086 1.00 0.00 C ATOM 1403 O ALA B 41 8.055 11.452 1.175 1.00 0.00 O ATOM 1404 CB ALA B 41 6.544 10.705 4.051 1.00 0.00 C ATOM 0 H ALA B 41 6.915 8.279 3.770 1.00 0.00 H new ATOM 0 HA ALA B 41 5.980 10.332 2.020 1.00 0.00 H new ATOM 0 HB1 ALA B 41 6.511 11.790 3.949 1.00 0.00 H new ATOM 0 HB2 ALA B 41 5.592 10.348 4.444 1.00 0.00 H new ATOM 0 HB3 ALA B 41 7.345 10.429 4.736 1.00 0.00 H new ATOM 1410 N GLN B 42 9.223 10.162 2.601 1.00 0.00 N ATOM 1411 CA GLN B 42 10.526 10.609 2.116 1.00 0.00 C ATOM 1412 C GLN B 42 10.682 10.346 0.619 1.00 0.00 C ATOM 1413 O GLN B 42 11.408 11.059 -0.073 1.00 0.00 O ATOM 1414 CB GLN B 42 11.646 9.911 2.891 1.00 0.00 C ATOM 1415 CG GLN B 42 12.820 10.820 3.215 1.00 0.00 C ATOM 1416 CD GLN B 42 12.605 11.616 4.487 1.00 0.00 C ATOM 1417 OE1 GLN B 42 11.551 11.531 5.116 1.00 0.00 O ATOM 1418 NE2 GLN B 42 13.606 12.398 4.874 1.00 0.00 N ATOM 0 H GLN B 42 9.267 9.477 3.355 1.00 0.00 H new ATOM 0 HA GLN B 42 10.593 11.685 2.279 1.00 0.00 H new ATOM 0 HB2 GLN B 42 11.239 9.512 3.820 1.00 0.00 H new ATOM 0 HB3 GLN B 42 12.005 9.062 2.309 1.00 0.00 H new ATOM 0 HG2 GLN B 42 13.724 10.219 3.315 1.00 0.00 H new ATOM 0 HG3 GLN B 42 12.984 11.506 2.384 1.00 0.00 H new ATOM 0 HE21 GLN B 42 14.463 12.439 4.323 1.00 0.00 H new ATOM 0 HE22 GLN B 42 13.517 12.958 5.722 1.00 0.00 H new ATOM 1427 N CYS B 43 9.998 9.318 0.125 1.00 0.00 N ATOM 1428 CA CYS B 43 10.064 8.964 -1.288 1.00 0.00 C ATOM 1429 C CYS B 43 8.915 9.598 -2.067 1.00 0.00 C ATOM 1430 O CYS B 43 9.041 9.875 -3.260 1.00 0.00 O ATOM 1431 CB CYS B 43 10.030 7.442 -1.456 1.00 0.00 C ATOM 1432 SG CYS B 43 11.616 6.626 -1.161 1.00 0.00 S ATOM 0 H CYS B 43 9.392 8.716 0.683 1.00 0.00 H new ATOM 0 HA CYS B 43 11.003 9.348 -1.687 1.00 0.00 H new ATOM 0 HB2 CYS B 43 9.289 7.029 -0.771 1.00 0.00 H new ATOM 0 HB3 CYS B 43 9.696 7.207 -2.467 1.00 0.00 H new ATOM 0 HG CYS B 43 11.420 5.518 -0.510 1.00 0.00 H new ATOM 1437 N GLN B 44 7.794 9.827 -1.385 1.00 0.00 N ATOM 1438 CA GLN B 44 6.620 10.429 -2.015 1.00 0.00 C ATOM 1439 C GLN B 44 6.962 11.781 -2.639 1.00 0.00 C ATOM 1440 O GLN B 44 6.627 12.045 -3.793 1.00 0.00 O ATOM 1441 CB GLN B 44 5.497 10.593 -0.985 1.00 0.00 C ATOM 1442 CG GLN B 44 4.450 9.494 -1.047 1.00 0.00 C ATOM 1443 CD GLN B 44 3.082 9.966 -0.595 1.00 0.00 C ATOM 1444 OE1 GLN B 44 2.266 10.404 -1.404 1.00 0.00 O ATOM 1445 NE2 GLN B 44 2.825 9.876 0.705 1.00 0.00 N ATOM 0 H GLN B 44 7.674 9.605 -0.397 1.00 0.00 H new ATOM 0 HA GLN B 44 6.283 9.764 -2.811 1.00 0.00 H new ATOM 0 HB2 GLN B 44 5.932 10.613 0.014 1.00 0.00 H new ATOM 0 HB3 GLN B 44 5.011 11.556 -1.140 1.00 0.00 H new ATOM 0 HG2 GLN B 44 4.382 9.119 -2.068 1.00 0.00 H new ATOM 0 HG3 GLN B 44 4.767 8.659 -0.422 1.00 0.00 H new ATOM 0 HE21 GLN B 44 3.532 9.506 1.340 1.00 0.00 H new ATOM 0 HE22 GLN B 44 1.921 10.177 1.068 1.00 0.00 H new