USER MOD reduce.3.24.130724 H: found=0, std=0, add=834, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 829 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 92 GLN : amide:sc= -2.03! X(o=-2!,f=-1.9) USER MOD Set 1.2: A 104 HIS : no HE2:sc=-0.00234 K(o=-2,f=-5) USER MOD Set 2.1: A 87 HIS : no HE2:sc= -0.695 K(o=1.8,f=1.1) USER MOD Set 2.2: A 91 THR OG1 : rot -101:sc= 1.82 USER MOD Set 2.3: A 93 GLN : amide:sc= 0.725 K(o=1.8,f=1.1) USER MOD Set 3.1: A 20 HIS : no HE2:sc= -3.04 K(o=-3,f=-1.5) USER MOD Set 3.2: A 109 SER OG : rot -40:sc= 0 USER MOD Set 4.1: A 19 TYR OH : rot 180:sc= 0.133 USER MOD Set 4.2: A 49 TYR OH : rot -43:sc= 0.135 USER MOD Single : A 10 GLN : amide:sc= -0.14 X(o=-0.14,f=-0.28) USER MOD Single : A 11 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0461) USER MOD Single : A 14 HIS : no HD1:sc= -0.418 X(o=-0.42,f=-0.85) USER MOD Single : A 16 GLN : amide:sc= 0.662 K(o=0.66,f=-1.1) USER MOD Single : A 34 HIS : no HD1:sc= -0.15 X(o=-0.15,f=-0.00045) USER MOD Single : A 35 SER OG : rot 45:sc= 0.15 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.289 K(o=-0.29,f=-1.4) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 SER OG : rot -100:sc= -0.186 USER MOD Single : A 61 HIS : no HE2:sc= -0.25 K(o=-0.25,f=-1.5) USER MOD Single : A 65 GLN : amide:sc= -2.53 K(o=-2.5,f=-5.1!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.3 K(o=-0.3,f=-0.87) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= -0.0371 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.157 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00328) USER MOD Single : A 99 SER OG : rot -36:sc= 0.779 USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 8 -0.707 9.672 -7.891 1.00 0.00 N ATOM 67 CA GLU A 8 -0.955 10.576 -6.763 1.00 0.00 C ATOM 68 C GLU A 8 0.264 10.741 -5.841 1.00 0.00 C ATOM 69 O GLU A 8 0.140 11.052 -4.663 1.00 0.00 O ATOM 70 CB GLU A 8 -2.264 10.167 -6.055 1.00 0.00 C ATOM 71 CG GLU A 8 -3.442 10.300 -7.043 1.00 0.00 C ATOM 72 CD GLU A 8 -4.842 10.338 -6.434 1.00 0.00 C ATOM 73 OE1 GLU A 8 -4.997 10.425 -5.203 1.00 0.00 O ATOM 74 OE2 GLU A 8 -5.809 10.385 -7.229 1.00 0.00 O ATOM 0 HA GLU A 8 -1.104 11.587 -7.141 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -2.191 9.141 -5.695 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.432 10.799 -5.183 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -3.298 11.211 -7.624 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -3.397 9.465 -7.742 1.00 0.00 H new ATOM 81 N VAL A 9 1.464 10.563 -6.384 1.00 0.00 N ATOM 82 CA VAL A 9 2.716 10.391 -5.677 1.00 0.00 C ATOM 83 C VAL A 9 2.984 11.563 -4.735 1.00 0.00 C ATOM 84 O VAL A 9 3.324 11.378 -3.569 1.00 0.00 O ATOM 85 CB VAL A 9 3.833 10.274 -6.735 1.00 0.00 C ATOM 86 CG1 VAL A 9 5.080 9.713 -6.072 1.00 0.00 C ATOM 87 CG2 VAL A 9 3.443 9.453 -7.980 1.00 0.00 C ATOM 0 H VAL A 9 1.589 10.534 -7.396 1.00 0.00 H new ATOM 0 HA VAL A 9 2.677 9.493 -5.060 1.00 0.00 H new ATOM 0 HB VAL A 9 4.023 11.277 -7.117 1.00 0.00 H new ATOM 0 HG11 VAL A 9 5.877 9.626 -6.811 1.00 0.00 H new ATOM 0 HG12 VAL A 9 5.398 10.381 -5.272 1.00 0.00 H new ATOM 0 HG13 VAL A 9 4.860 8.729 -5.657 1.00 0.00 H new ATOM 0 HG21 VAL A 9 4.284 9.421 -8.673 1.00 0.00 H new ATOM 0 HG22 VAL A 9 3.181 8.439 -7.679 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.588 9.919 -8.470 1.00 0.00 H new ATOM 97 N GLN A 10 2.860 12.769 -5.285 1.00 0.00 N ATOM 98 CA GLN A 10 3.254 14.010 -4.645 1.00 0.00 C ATOM 99 C GLN A 10 2.124 14.576 -3.780 1.00 0.00 C ATOM 100 O GLN A 10 2.323 15.585 -3.094 1.00 0.00 O ATOM 101 CB GLN A 10 3.650 15.018 -5.737 1.00 0.00 C ATOM 102 CG GLN A 10 4.741 14.495 -6.685 1.00 0.00 C ATOM 103 CD GLN A 10 6.055 14.185 -5.963 1.00 0.00 C ATOM 104 OE1 GLN A 10 6.462 14.918 -5.068 1.00 0.00 O ATOM 105 NE2 GLN A 10 6.729 13.103 -6.314 1.00 0.00 N ATOM 0 H GLN A 10 2.470 12.908 -6.217 1.00 0.00 H new ATOM 0 HA GLN A 10 4.100 13.819 -3.985 1.00 0.00 H new ATOM 0 HB2 GLN A 10 2.766 15.276 -6.320 1.00 0.00 H new ATOM 0 HB3 GLN A 10 4.000 15.936 -5.264 1.00 0.00 H new ATOM 0 HG2 GLN A 10 4.383 13.593 -7.181 1.00 0.00 H new ATOM 0 HG3 GLN A 10 4.925 15.235 -7.463 1.00 0.00 H new ATOM 0 HE21 GLN A 10 6.378 12.503 -7.060 1.00 0.00 H new ATOM 0 HE22 GLN A 10 7.600 12.868 -5.838 1.00 0.00 H new ATOM 114 N LYS A 11 0.930 13.981 -3.849 1.00 0.00 N ATOM 115 CA LYS A 11 -0.200 14.345 -2.997 1.00 0.00 C ATOM 116 C LYS A 11 0.101 13.956 -1.551 1.00 0.00 C ATOM 117 O LYS A 11 0.934 13.074 -1.300 1.00 0.00 O ATOM 118 CB LYS A 11 -1.478 13.634 -3.486 1.00 0.00 C ATOM 119 CG LYS A 11 -1.882 14.040 -4.906 1.00 0.00 C ATOM 120 CD LYS A 11 -3.357 13.699 -5.159 1.00 0.00 C ATOM 121 CE LYS A 11 -3.798 13.907 -6.609 1.00 0.00 C ATOM 122 NZ LYS A 11 -3.523 15.279 -7.070 1.00 0.00 N ATOM 0 H LYS A 11 0.721 13.227 -4.504 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.358 15.422 -3.049 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.323 12.556 -3.453 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.297 13.859 -2.803 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -1.720 15.109 -5.046 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.253 13.524 -5.632 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -3.533 12.660 -4.881 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -3.979 14.313 -4.508 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -3.280 13.196 -7.253 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -4.864 13.700 -6.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -3.940 15.419 -8.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -3.939 15.959 -6.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -2.495 15.429 -7.121 1.00 0.00 H new ATOM 136 N PRO A 12 -0.627 14.535 -0.582 1.00 0.00 N ATOM 137 CA PRO A 12 -0.600 14.013 0.767 1.00 0.00 C ATOM 138 C PRO A 12 -1.143 12.586 0.788 1.00 0.00 C ATOM 139 O PRO A 12 -1.828 12.132 -0.134 1.00 0.00 O ATOM 140 CB PRO A 12 -1.456 14.961 1.601 1.00 0.00 C ATOM 141 CG PRO A 12 -2.389 15.632 0.603 1.00 0.00 C ATOM 142 CD PRO A 12 -1.626 15.590 -0.717 1.00 0.00 C ATOM 0 HA PRO A 12 0.412 13.961 1.169 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -2.017 14.419 2.363 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -0.840 15.695 2.120 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -3.339 15.103 0.530 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -2.616 16.656 0.898 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -2.300 15.383 -1.549 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -1.152 16.550 -0.922 1.00 0.00 H new ATOM 150 N LEU A 13 -0.857 11.877 1.875 1.00 0.00 N ATOM 151 CA LEU A 13 -1.440 10.571 2.140 1.00 0.00 C ATOM 152 C LEU A 13 -2.949 10.701 2.340 1.00 0.00 C ATOM 153 O LEU A 13 -3.688 9.821 1.908 1.00 0.00 O ATOM 154 CB LEU A 13 -0.712 9.960 3.342 1.00 0.00 C ATOM 155 CG LEU A 13 -1.061 8.487 3.657 1.00 0.00 C ATOM 156 CD1 LEU A 13 0.132 7.855 4.380 1.00 0.00 C ATOM 157 CD2 LEU A 13 -2.260 8.357 4.592 1.00 0.00 C ATOM 0 H LEU A 13 -0.212 12.195 2.598 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.311 9.896 1.294 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.362 10.031 3.168 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.933 10.563 4.223 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.296 7.999 2.711 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.093 6.814 4.612 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.012 7.902 3.739 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.327 8.399 5.304 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.462 7.303 4.780 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.042 8.859 5.535 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.133 8.817 4.130 1.00 0.00 H new ATOM 169 N HIS A 14 -3.415 11.811 2.924 1.00 0.00 N ATOM 170 CA HIS A 14 -4.816 11.964 3.300 1.00 0.00 C ATOM 171 C HIS A 14 -5.776 12.026 2.100 1.00 0.00 C ATOM 172 O HIS A 14 -6.994 12.035 2.295 1.00 0.00 O ATOM 173 CB HIS A 14 -5.000 13.194 4.210 1.00 0.00 C ATOM 174 CG HIS A 14 -5.080 14.538 3.511 1.00 0.00 C ATOM 175 ND1 HIS A 14 -6.164 15.001 2.801 1.00 0.00 N ATOM 176 CD2 HIS A 14 -4.178 15.566 3.577 1.00 0.00 C ATOM 177 CE1 HIS A 14 -5.918 16.262 2.421 1.00 0.00 C ATOM 178 NE2 HIS A 14 -4.725 16.662 2.888 1.00 0.00 N ATOM 0 H HIS A 14 -2.834 12.619 3.146 1.00 0.00 H new ATOM 0 HA HIS A 14 -5.083 11.062 3.850 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -5.911 13.056 4.793 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -4.171 13.224 4.917 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -3.218 15.539 4.070 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -6.584 16.869 1.825 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -4.299 17.581 2.767 1.00 0.00 H new ATOM 186 N GLU A 15 -5.262 12.136 0.871 1.00 0.00 N ATOM 187 CA GLU A 15 -6.025 12.371 -0.328 1.00 0.00 C ATOM 188 C GLU A 15 -5.946 11.159 -1.278 1.00 0.00 C ATOM 189 O GLU A 15 -6.568 11.171 -2.337 1.00 0.00 O ATOM 190 CB GLU A 15 -5.483 13.693 -0.895 1.00 0.00 C ATOM 191 CG GLU A 15 -5.979 13.981 -2.302 1.00 0.00 C ATOM 192 CD GLU A 15 -5.850 15.454 -2.686 1.00 0.00 C ATOM 193 OE1 GLU A 15 -4.714 15.988 -2.740 1.00 0.00 O ATOM 194 OE2 GLU A 15 -6.890 16.131 -2.829 1.00 0.00 O ATOM 0 H GLU A 15 -4.261 12.058 0.692 1.00 0.00 H new ATOM 0 HA GLU A 15 -7.096 12.473 -0.153 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.776 14.512 -0.237 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.393 13.661 -0.899 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.416 13.375 -3.012 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -7.023 13.679 -2.383 1.00 0.00 H new ATOM 201 N GLN A 16 -5.179 10.121 -0.924 1.00 0.00 N ATOM 202 CA GLN A 16 -4.941 8.962 -1.778 1.00 0.00 C ATOM 203 C GLN A 16 -6.232 8.183 -2.061 1.00 0.00 C ATOM 204 O GLN A 16 -7.303 8.453 -1.515 1.00 0.00 O ATOM 205 CB GLN A 16 -3.888 8.052 -1.122 1.00 0.00 C ATOM 206 CG GLN A 16 -2.525 8.725 -0.940 1.00 0.00 C ATOM 207 CD GLN A 16 -1.807 9.036 -2.248 1.00 0.00 C ATOM 208 OE1 GLN A 16 -1.738 8.210 -3.149 1.00 0.00 O ATOM 209 NE2 GLN A 16 -1.190 10.202 -2.330 1.00 0.00 N ATOM 0 H GLN A 16 -4.702 10.066 -0.024 1.00 0.00 H new ATOM 0 HA GLN A 16 -4.569 9.316 -2.739 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -4.256 7.727 -0.149 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -3.763 7.157 -1.731 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -2.661 9.652 -0.383 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -1.890 8.079 -0.334 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -1.264 10.873 -1.565 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -0.640 10.431 -3.158 1.00 0.00 H new ATOM 218 N LEU A 17 -6.112 7.193 -2.941 1.00 0.00 N ATOM 219 CA LEU A 17 -7.202 6.360 -3.427 1.00 0.00 C ATOM 220 C LEU A 17 -7.206 5.053 -2.665 1.00 0.00 C ATOM 221 O LEU A 17 -8.206 4.686 -2.065 1.00 0.00 O ATOM 222 CB LEU A 17 -7.140 6.147 -4.953 1.00 0.00 C ATOM 223 CG LEU A 17 -5.780 5.833 -5.618 1.00 0.00 C ATOM 224 CD1 LEU A 17 -6.002 5.040 -6.910 1.00 0.00 C ATOM 225 CD2 LEU A 17 -4.973 7.083 -5.975 1.00 0.00 C ATOM 0 H LEU A 17 -5.213 6.941 -3.351 1.00 0.00 H new ATOM 0 HA LEU A 17 -8.145 6.875 -3.245 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -7.821 5.332 -5.198 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -7.536 7.046 -5.426 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.214 5.261 -4.882 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.040 4.822 -7.373 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.514 4.105 -6.680 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -6.611 5.627 -7.597 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -4.031 6.788 -6.438 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.543 7.697 -6.672 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.769 7.655 -5.070 1.00 0.00 H new ATOM 237 N TRP A 18 -6.074 4.363 -2.663 1.00 0.00 N ATOM 238 CA TRP A 18 -5.873 3.109 -1.963 1.00 0.00 C ATOM 239 C TRP A 18 -5.829 3.283 -0.441 1.00 0.00 C ATOM 240 O TRP A 18 -5.742 2.287 0.273 1.00 0.00 O ATOM 241 CB TRP A 18 -4.580 2.505 -2.513 1.00 0.00 C ATOM 242 CG TRP A 18 -3.436 3.458 -2.678 1.00 0.00 C ATOM 243 CD1 TRP A 18 -2.959 3.910 -3.860 1.00 0.00 C ATOM 244 CD2 TRP A 18 -2.610 4.082 -1.647 1.00 0.00 C ATOM 245 NE1 TRP A 18 -1.890 4.744 -3.628 1.00 0.00 N ATOM 246 CE2 TRP A 18 -1.629 4.887 -2.288 1.00 0.00 C ATOM 247 CE3 TRP A 18 -2.573 4.045 -0.239 1.00 0.00 C ATOM 248 CZ2 TRP A 18 -0.656 5.595 -1.575 1.00 0.00 C ATOM 249 CZ3 TRP A 18 -1.624 4.781 0.494 1.00 0.00 C ATOM 250 CH2 TRP A 18 -0.653 5.542 -0.170 1.00 0.00 C ATOM 0 H TRP A 18 -5.244 4.675 -3.167 1.00 0.00 H new ATOM 0 HA TRP A 18 -6.716 2.440 -2.136 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -4.265 1.700 -1.849 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -4.795 2.053 -3.481 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -3.355 3.656 -4.832 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -1.354 5.202 -4.365 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -3.291 3.437 0.291 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 0.087 6.178 -2.099 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -1.644 4.759 1.574 1.00 0.00 H new ATOM 0 HH2 TRP A 18 0.092 6.084 0.393 1.00 0.00 H new ATOM 261 N TYR A 19 -5.819 4.510 0.081 1.00 0.00 N ATOM 262 CA TYR A 19 -5.868 4.734 1.525 1.00 0.00 C ATOM 263 C TYR A 19 -7.314 4.526 2.012 1.00 0.00 C ATOM 264 O TYR A 19 -8.144 5.409 1.820 1.00 0.00 O ATOM 265 CB TYR A 19 -5.317 6.120 1.880 1.00 0.00 C ATOM 266 CG TYR A 19 -5.306 6.436 3.368 1.00 0.00 C ATOM 267 CD1 TYR A 19 -4.843 5.492 4.312 1.00 0.00 C ATOM 268 CD2 TYR A 19 -5.756 7.694 3.806 1.00 0.00 C ATOM 269 CE1 TYR A 19 -4.864 5.791 5.687 1.00 0.00 C ATOM 270 CE2 TYR A 19 -5.759 8.008 5.175 1.00 0.00 C ATOM 271 CZ TYR A 19 -5.329 7.058 6.124 1.00 0.00 C ATOM 272 OH TYR A 19 -5.409 7.386 7.442 1.00 0.00 O ATOM 0 H TYR A 19 -5.777 5.364 -0.475 1.00 0.00 H new ATOM 0 HA TYR A 19 -5.230 4.015 2.039 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -4.300 6.201 1.497 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -5.912 6.875 1.366 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -4.471 4.535 3.976 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -6.101 8.422 3.087 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -4.528 5.059 6.406 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -6.092 8.982 5.502 1.00 0.00 H new ATOM 0 HH TYR A 19 -5.751 8.300 7.531 1.00 0.00 H new ATOM 282 N HIS A 20 -7.632 3.378 2.627 1.00 0.00 N ATOM 283 CA HIS A 20 -8.945 3.099 3.235 1.00 0.00 C ATOM 284 C HIS A 20 -8.995 3.468 4.737 1.00 0.00 C ATOM 285 O HIS A 20 -9.977 3.181 5.431 1.00 0.00 O ATOM 286 CB HIS A 20 -9.329 1.623 3.051 1.00 0.00 C ATOM 287 CG HIS A 20 -9.755 1.193 1.679 1.00 0.00 C ATOM 288 ND1 HIS A 20 -10.928 0.539 1.411 1.00 0.00 N ATOM 289 CD2 HIS A 20 -9.055 1.292 0.509 1.00 0.00 C ATOM 290 CE1 HIS A 20 -10.941 0.267 0.103 1.00 0.00 C ATOM 291 NE2 HIS A 20 -9.815 0.693 -0.496 1.00 0.00 N ATOM 0 H HIS A 20 -6.975 2.603 2.719 1.00 0.00 H new ATOM 0 HA HIS A 20 -9.666 3.730 2.716 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -8.476 1.012 3.347 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -10.140 1.396 3.743 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -11.657 0.303 2.085 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -8.086 1.752 0.385 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -11.752 -0.231 -0.408 1.00 0.00 H new ATOM 299 N GLY A 21 -7.940 4.074 5.286 1.00 0.00 N ATOM 300 CA GLY A 21 -7.936 4.595 6.638 1.00 0.00 C ATOM 301 C GLY A 21 -7.590 3.464 7.576 1.00 0.00 C ATOM 302 O GLY A 21 -6.447 3.024 7.607 1.00 0.00 O ATOM 0 H GLY A 21 -7.059 4.214 4.792 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -7.210 5.403 6.732 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -8.912 5.012 6.888 1.00 0.00 H new ATOM 306 N ALA A 22 -8.597 2.977 8.287 1.00 0.00 N ATOM 307 CA ALA A 22 -8.608 1.925 9.281 1.00 0.00 C ATOM 308 C ALA A 22 -9.753 0.975 8.938 1.00 0.00 C ATOM 309 O ALA A 22 -10.913 1.389 8.950 1.00 0.00 O ATOM 310 CB ALA A 22 -8.798 2.568 10.658 1.00 0.00 C ATOM 0 H ALA A 22 -9.534 3.359 8.162 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.676 1.361 9.294 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -8.809 1.792 11.423 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -7.978 3.259 10.853 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -9.743 3.112 10.678 1.00 0.00 H new ATOM 316 N ILE A 23 -9.424 -0.269 8.580 1.00 0.00 N ATOM 317 CA ILE A 23 -10.362 -1.321 8.173 1.00 0.00 C ATOM 318 C ILE A 23 -9.875 -2.629 8.832 1.00 0.00 C ATOM 319 O ILE A 23 -8.667 -2.764 9.074 1.00 0.00 O ATOM 320 CB ILE A 23 -10.512 -1.393 6.610 1.00 0.00 C ATOM 321 CG1 ILE A 23 -10.194 -2.777 6.000 1.00 0.00 C ATOM 322 CG2 ILE A 23 -9.723 -0.326 5.828 1.00 0.00 C ATOM 323 CD1 ILE A 23 -10.446 -2.939 4.504 1.00 0.00 C ATOM 0 H ILE A 23 -8.454 -0.585 8.565 1.00 0.00 H new ATOM 0 HA ILE A 23 -11.376 -1.113 8.515 1.00 0.00 H new ATOM 0 HB ILE A 23 -11.576 -1.188 6.490 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.146 -3.002 6.195 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -10.785 -3.526 6.528 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -9.891 -0.459 4.759 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -10.059 0.667 6.127 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -8.659 -0.429 6.043 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -10.185 -3.952 4.199 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -11.499 -2.756 4.291 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.835 -2.225 3.953 1.00 0.00 H new ATOM 335 N PRO A 24 -10.738 -3.621 9.105 1.00 0.00 N ATOM 336 CA PRO A 24 -10.306 -4.948 9.549 1.00 0.00 C ATOM 337 C PRO A 24 -9.645 -5.753 8.422 1.00 0.00 C ATOM 338 O PRO A 24 -9.910 -5.548 7.243 1.00 0.00 O ATOM 339 CB PRO A 24 -11.583 -5.633 10.027 1.00 0.00 C ATOM 340 CG PRO A 24 -12.674 -4.994 9.168 1.00 0.00 C ATOM 341 CD PRO A 24 -12.180 -3.582 8.889 1.00 0.00 C ATOM 0 HA PRO A 24 -9.550 -4.875 10.330 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -11.538 -6.712 9.881 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -11.757 -5.462 11.089 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -12.824 -5.550 8.242 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -13.631 -4.981 9.690 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -12.415 -3.279 7.869 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -12.657 -2.861 9.554 1.00 0.00 H new ATOM 349 N ARG A 25 -8.796 -6.732 8.755 1.00 0.00 N ATOM 350 CA ARG A 25 -8.174 -7.554 7.705 1.00 0.00 C ATOM 351 C ARG A 25 -9.198 -8.357 6.919 1.00 0.00 C ATOM 352 O ARG A 25 -8.965 -8.619 5.741 1.00 0.00 O ATOM 353 CB ARG A 25 -7.101 -8.487 8.275 1.00 0.00 C ATOM 354 CG ARG A 25 -7.651 -9.578 9.206 1.00 0.00 C ATOM 355 CD ARG A 25 -6.486 -10.373 9.762 1.00 0.00 C ATOM 356 NE ARG A 25 -6.883 -11.338 10.789 1.00 0.00 N ATOM 357 CZ ARG A 25 -6.034 -11.901 11.652 1.00 0.00 C ATOM 358 NH1 ARG A 25 -4.732 -11.622 11.580 1.00 0.00 N ATOM 359 NH2 ARG A 25 -6.492 -12.726 12.585 1.00 0.00 N ATOM 0 H ARG A 25 -8.529 -6.971 9.710 1.00 0.00 H new ATOM 0 HA ARG A 25 -7.696 -6.855 7.018 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -6.571 -8.962 7.449 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -6.370 -7.892 8.822 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -8.224 -9.129 10.017 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -8.330 -10.233 8.661 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -5.994 -10.902 8.946 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -5.753 -9.685 10.183 1.00 0.00 H new ATOM 0 HE ARG A 25 -7.868 -11.596 10.849 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -4.387 -10.980 10.867 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -4.081 -12.051 12.238 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -7.490 -12.928 12.641 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -5.846 -13.158 13.246 1.00 0.00 H new ATOM 373 N ALA A 26 -10.291 -8.778 7.557 1.00 0.00 N ATOM 374 CA ALA A 26 -11.216 -9.705 6.932 1.00 0.00 C ATOM 375 C ALA A 26 -11.916 -9.072 5.722 1.00 0.00 C ATOM 376 O ALA A 26 -12.237 -9.780 4.767 1.00 0.00 O ATOM 377 CB ALA A 26 -12.191 -10.204 7.995 1.00 0.00 C ATOM 0 H ALA A 26 -10.550 -8.490 8.500 1.00 0.00 H new ATOM 0 HA ALA A 26 -10.675 -10.562 6.531 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -12.895 -10.903 7.544 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.638 -10.707 8.788 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -12.737 -9.359 8.414 1.00 0.00 H new ATOM 383 N GLU A 27 -12.092 -7.748 5.734 1.00 0.00 N ATOM 384 CA GLU A 27 -12.700 -6.975 4.654 1.00 0.00 C ATOM 385 C GLU A 27 -11.804 -6.907 3.414 1.00 0.00 C ATOM 386 O GLU A 27 -12.326 -6.856 2.306 1.00 0.00 O ATOM 387 CB GLU A 27 -13.009 -5.565 5.184 1.00 0.00 C ATOM 388 CG GLU A 27 -14.293 -5.560 6.018 1.00 0.00 C ATOM 389 CD GLU A 27 -15.550 -5.824 5.190 1.00 0.00 C ATOM 390 OE1 GLU A 27 -16.071 -4.894 4.531 1.00 0.00 O ATOM 391 OE2 GLU A 27 -16.080 -6.954 5.301 1.00 0.00 O ATOM 0 H GLU A 27 -11.805 -7.168 6.523 1.00 0.00 H new ATOM 0 HA GLU A 27 -13.618 -7.471 4.339 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.176 -5.210 5.791 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -13.112 -4.873 4.348 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -14.214 -6.317 6.799 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -14.390 -4.596 6.517 1.00 0.00 H new ATOM 398 N VAL A 28 -10.473 -6.945 3.575 1.00 0.00 N ATOM 399 CA VAL A 28 -9.511 -6.780 2.484 1.00 0.00 C ATOM 400 C VAL A 28 -9.886 -7.661 1.300 1.00 0.00 C ATOM 401 O VAL A 28 -10.011 -7.152 0.193 1.00 0.00 O ATOM 402 CB VAL A 28 -8.078 -7.094 2.957 1.00 0.00 C ATOM 403 CG1 VAL A 28 -7.069 -7.179 1.794 1.00 0.00 C ATOM 404 CG2 VAL A 28 -7.592 -6.085 4.009 1.00 0.00 C ATOM 0 H VAL A 28 -10.032 -7.094 4.482 1.00 0.00 H new ATOM 0 HA VAL A 28 -9.542 -5.738 2.164 1.00 0.00 H new ATOM 0 HB VAL A 28 -8.128 -8.080 3.418 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.078 -7.402 2.188 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -7.372 -7.968 1.106 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.043 -6.227 1.265 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.578 -6.340 4.317 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -7.600 -5.082 3.582 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -8.253 -6.116 4.875 1.00 0.00 H new ATOM 414 N ALA A 29 -10.015 -8.973 1.511 1.00 0.00 N ATOM 415 CA ALA A 29 -10.166 -9.918 0.400 1.00 0.00 C ATOM 416 C ALA A 29 -11.437 -9.686 -0.428 1.00 0.00 C ATOM 417 O ALA A 29 -11.563 -10.273 -1.502 1.00 0.00 O ATOM 418 CB ALA A 29 -10.181 -11.347 0.922 1.00 0.00 C ATOM 0 H ALA A 29 -10.018 -9.404 2.435 1.00 0.00 H new ATOM 0 HA ALA A 29 -9.310 -9.751 -0.254 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -10.294 -12.038 0.087 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -9.245 -11.555 1.441 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -11.015 -11.473 1.613 1.00 0.00 H new ATOM 424 N GLU A 30 -12.368 -8.882 0.082 1.00 0.00 N ATOM 425 CA GLU A 30 -13.613 -8.490 -0.560 1.00 0.00 C ATOM 426 C GLU A 30 -13.427 -7.199 -1.382 1.00 0.00 C ATOM 427 O GLU A 30 -14.173 -6.955 -2.332 1.00 0.00 O ATOM 428 CB GLU A 30 -14.697 -8.406 0.545 1.00 0.00 C ATOM 429 CG GLU A 30 -15.295 -7.038 0.924 1.00 0.00 C ATOM 430 CD GLU A 30 -16.649 -6.785 0.265 1.00 0.00 C ATOM 431 OE1 GLU A 30 -17.631 -7.499 0.586 1.00 0.00 O ATOM 432 OE2 GLU A 30 -16.802 -5.817 -0.509 1.00 0.00 O ATOM 0 H GLU A 30 -12.264 -8.465 1.007 1.00 0.00 H new ATOM 0 HA GLU A 30 -13.941 -9.226 -1.294 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -15.523 -9.050 0.241 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -14.273 -8.838 1.451 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -15.406 -6.982 2.007 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -14.601 -6.249 0.634 1.00 0.00 H new ATOM 439 N LEU A 31 -12.439 -6.367 -1.031 1.00 0.00 N ATOM 440 CA LEU A 31 -12.042 -5.164 -1.757 1.00 0.00 C ATOM 441 C LEU A 31 -11.209 -5.564 -2.966 1.00 0.00 C ATOM 442 O LEU A 31 -11.474 -5.137 -4.093 1.00 0.00 O ATOM 443 CB LEU A 31 -11.201 -4.241 -0.857 1.00 0.00 C ATOM 444 CG LEU A 31 -11.933 -3.717 0.390 1.00 0.00 C ATOM 445 CD1 LEU A 31 -10.929 -2.958 1.254 1.00 0.00 C ATOM 446 CD2 LEU A 31 -13.063 -2.759 0.016 1.00 0.00 C ATOM 0 H LEU A 31 -11.873 -6.524 -0.197 1.00 0.00 H new ATOM 0 HA LEU A 31 -12.940 -4.632 -2.071 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -10.310 -4.781 -0.538 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -10.863 -3.390 -1.448 1.00 0.00 H new ATOM 0 HG LEU A 31 -12.361 -4.567 0.921 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -11.429 -2.578 2.145 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -10.123 -3.629 1.550 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -10.517 -2.124 0.686 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -13.558 -2.409 0.922 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -12.653 -1.907 -0.526 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -13.785 -3.277 -0.615 1.00 0.00 H new ATOM 458 N LEU A 32 -10.156 -6.346 -2.714 1.00 0.00 N ATOM 459 CA LEU A 32 -9.285 -6.853 -3.764 1.00 0.00 C ATOM 460 C LEU A 32 -10.065 -7.887 -4.569 1.00 0.00 C ATOM 461 O LEU A 32 -11.082 -8.411 -4.111 1.00 0.00 O ATOM 462 CB LEU A 32 -7.969 -7.448 -3.213 1.00 0.00 C ATOM 463 CG LEU A 32 -7.416 -6.844 -1.913 1.00 0.00 C ATOM 464 CD1 LEU A 32 -6.121 -7.543 -1.529 1.00 0.00 C ATOM 465 CD2 LEU A 32 -7.196 -5.335 -2.003 1.00 0.00 C ATOM 0 H LEU A 32 -9.888 -6.642 -1.775 1.00 0.00 H new ATOM 0 HA LEU A 32 -8.985 -6.023 -4.403 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.122 -8.515 -3.051 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.205 -7.349 -3.984 1.00 0.00 H new ATOM 0 HG LEU A 32 -8.168 -7.004 -1.141 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.734 -7.110 -0.607 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.312 -8.606 -1.379 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.388 -7.415 -2.326 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.805 -4.967 -1.054 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.483 -5.118 -2.798 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.143 -4.842 -2.220 1.00 0.00 H new ATOM 477 N VAL A 33 -9.569 -8.203 -5.760 1.00 0.00 N ATOM 478 CA VAL A 33 -10.203 -9.132 -6.688 1.00 0.00 C ATOM 479 C VAL A 33 -9.106 -9.909 -7.407 1.00 0.00 C ATOM 480 O VAL A 33 -9.190 -11.138 -7.508 1.00 0.00 O ATOM 481 CB VAL A 33 -11.118 -8.388 -7.691 1.00 0.00 C ATOM 482 CG1 VAL A 33 -12.040 -9.395 -8.395 1.00 0.00 C ATOM 483 CG2 VAL A 33 -11.994 -7.290 -7.062 1.00 0.00 C ATOM 0 H VAL A 33 -8.696 -7.812 -6.115 1.00 0.00 H new ATOM 0 HA VAL A 33 -10.843 -9.823 -6.139 1.00 0.00 H new ATOM 0 HB VAL A 33 -10.443 -7.894 -8.390 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -12.683 -8.868 -9.100 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -11.437 -10.128 -8.931 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -12.656 -9.905 -7.654 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -12.602 -6.822 -7.836 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -12.645 -7.732 -6.307 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -11.357 -6.538 -6.597 1.00 0.00 H new ATOM 493 N HIS A 34 -8.068 -9.207 -7.872 1.00 0.00 N ATOM 494 CA HIS A 34 -7.002 -9.764 -8.694 1.00 0.00 C ATOM 495 C HIS A 34 -5.654 -9.509 -8.033 1.00 0.00 C ATOM 496 O HIS A 34 -5.531 -8.628 -7.175 1.00 0.00 O ATOM 497 CB HIS A 34 -7.081 -9.149 -10.098 1.00 0.00 C ATOM 498 CG HIS A 34 -8.434 -9.358 -10.727 1.00 0.00 C ATOM 499 ND1 HIS A 34 -8.998 -10.578 -11.015 1.00 0.00 N ATOM 500 CD2 HIS A 34 -9.376 -8.394 -10.968 1.00 0.00 C ATOM 501 CE1 HIS A 34 -10.259 -10.365 -11.412 1.00 0.00 C ATOM 502 NE2 HIS A 34 -10.529 -9.046 -11.418 1.00 0.00 N ATOM 0 H HIS A 34 -7.948 -8.213 -7.680 1.00 0.00 H new ATOM 0 HA HIS A 34 -7.118 -10.844 -8.789 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -6.869 -8.081 -10.039 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -6.313 -9.592 -10.732 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -9.252 -7.329 -10.835 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -10.959 -11.140 -11.688 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -11.406 -8.606 -11.697 1.00 0.00 H new ATOM 510 N SER A 35 -4.643 -10.282 -8.428 1.00 0.00 N ATOM 511 CA SER A 35 -3.321 -10.303 -7.826 1.00 0.00 C ATOM 512 C SER A 35 -2.592 -9.024 -8.213 1.00 0.00 C ATOM 513 O SER A 35 -2.046 -8.937 -9.314 1.00 0.00 O ATOM 514 CB SER A 35 -2.559 -11.568 -8.248 1.00 0.00 C ATOM 515 OG SER A 35 -2.640 -11.785 -9.645 1.00 0.00 O ATOM 0 H SER A 35 -4.731 -10.934 -9.207 1.00 0.00 H new ATOM 0 HA SER A 35 -3.396 -10.339 -6.739 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.513 -11.479 -7.953 1.00 0.00 H new ATOM 0 HB3 SER A 35 -2.966 -12.431 -7.721 1.00 0.00 H new ATOM 0 HG SER A 35 -2.481 -10.941 -10.117 1.00 0.00 H new ATOM 521 N GLY A 36 -2.652 -8.016 -7.350 1.00 0.00 N ATOM 522 CA GLY A 36 -2.174 -6.686 -7.666 1.00 0.00 C ATOM 523 C GLY A 36 -2.977 -5.551 -7.052 1.00 0.00 C ATOM 524 O GLY A 36 -2.375 -4.505 -6.840 1.00 0.00 O ATOM 0 H GLY A 36 -3.036 -8.104 -6.409 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.139 -6.600 -7.334 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -2.172 -6.565 -8.749 1.00 0.00 H new ATOM 528 N ASP A 37 -4.287 -5.735 -6.828 1.00 0.00 N ATOM 529 CA ASP A 37 -5.211 -4.857 -6.087 1.00 0.00 C ATOM 530 C ASP A 37 -4.693 -4.637 -4.663 1.00 0.00 C ATOM 531 O ASP A 37 -4.762 -5.554 -3.850 1.00 0.00 O ATOM 532 CB ASP A 37 -6.612 -5.495 -5.986 1.00 0.00 C ATOM 533 CG ASP A 37 -7.562 -5.254 -7.156 1.00 0.00 C ATOM 534 OD1 ASP A 37 -7.880 -4.076 -7.455 1.00 0.00 O ATOM 535 OD2 ASP A 37 -8.055 -6.277 -7.679 1.00 0.00 O ATOM 0 H ASP A 37 -4.765 -6.562 -7.186 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.273 -3.911 -6.626 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -6.488 -6.571 -5.865 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -7.089 -5.125 -5.079 1.00 0.00 H new ATOM 540 N PHE A 38 -4.185 -3.461 -4.322 1.00 0.00 N ATOM 541 CA PHE A 38 -3.698 -3.113 -2.987 1.00 0.00 C ATOM 542 C PHE A 38 -4.492 -1.956 -2.394 1.00 0.00 C ATOM 543 O PHE A 38 -4.974 -1.069 -3.106 1.00 0.00 O ATOM 544 CB PHE A 38 -2.184 -2.798 -3.018 1.00 0.00 C ATOM 545 CG PHE A 38 -1.777 -1.559 -3.785 1.00 0.00 C ATOM 546 CD1 PHE A 38 -1.798 -0.296 -3.165 1.00 0.00 C ATOM 547 CD2 PHE A 38 -1.380 -1.672 -5.130 1.00 0.00 C ATOM 548 CE1 PHE A 38 -1.489 0.847 -3.916 1.00 0.00 C ATOM 549 CE2 PHE A 38 -1.115 -0.526 -5.894 1.00 0.00 C ATOM 550 CZ PHE A 38 -1.192 0.734 -5.282 1.00 0.00 C ATOM 0 H PHE A 38 -4.096 -2.694 -4.988 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.847 -3.977 -2.340 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.834 -2.696 -1.991 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -1.664 -3.654 -3.448 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.050 -0.208 -2.119 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.278 -2.649 -5.578 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -1.480 1.817 -3.441 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.855 -0.612 -6.939 1.00 0.00 H new ATOM 0 HZ PHE A 38 -1.021 1.625 -5.868 1.00 0.00 H new ATOM 560 N LEU A 39 -4.560 -1.940 -1.061 1.00 0.00 N ATOM 561 CA LEU A 39 -5.027 -0.841 -0.251 1.00 0.00 C ATOM 562 C LEU A 39 -4.060 -0.671 0.916 1.00 0.00 C ATOM 563 O LEU A 39 -3.203 -1.532 1.170 1.00 0.00 O ATOM 564 CB LEU A 39 -6.465 -1.095 0.220 1.00 0.00 C ATOM 565 CG LEU A 39 -6.587 -2.202 1.288 1.00 0.00 C ATOM 566 CD1 LEU A 39 -7.137 -1.656 2.592 1.00 0.00 C ATOM 567 CD2 LEU A 39 -7.452 -3.360 0.822 1.00 0.00 C ATOM 0 H LEU A 39 -4.273 -2.742 -0.499 1.00 0.00 H new ATOM 0 HA LEU A 39 -5.050 0.083 -0.829 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.874 -0.168 0.623 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.076 -1.365 -0.641 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.576 -2.575 1.453 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -7.210 -2.462 3.322 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -6.471 -0.882 2.972 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -8.126 -1.231 2.420 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.507 -4.113 1.608 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -8.455 -2.997 0.596 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -7.016 -3.802 -0.074 1.00 0.00 H new ATOM 579 N VAL A 40 -4.246 0.407 1.663 1.00 0.00 N ATOM 580 CA VAL A 40 -3.588 0.681 2.920 1.00 0.00 C ATOM 581 C VAL A 40 -4.689 0.889 3.932 1.00 0.00 C ATOM 582 O VAL A 40 -5.673 1.586 3.686 1.00 0.00 O ATOM 583 CB VAL A 40 -2.664 1.895 2.818 1.00 0.00 C ATOM 584 CG1 VAL A 40 -1.967 2.199 4.144 1.00 0.00 C ATOM 585 CG2 VAL A 40 -1.580 1.600 1.796 1.00 0.00 C ATOM 0 H VAL A 40 -4.893 1.147 1.391 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.942 -0.145 3.217 1.00 0.00 H new ATOM 0 HB VAL A 40 -3.277 2.751 2.535 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.321 3.069 4.024 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.715 2.405 4.909 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.367 1.340 4.445 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.914 2.459 1.714 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.009 0.727 2.113 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.038 1.402 0.827 1.00 0.00 H new ATOM 595 N ARG A 41 -4.529 0.210 5.052 1.00 0.00 N ATOM 596 CA ARG A 41 -5.427 0.220 6.183 1.00 0.00 C ATOM 597 C ARG A 41 -4.571 0.487 7.408 1.00 0.00 C ATOM 598 O ARG A 41 -3.355 0.324 7.358 1.00 0.00 O ATOM 599 CB ARG A 41 -6.127 -1.146 6.275 1.00 0.00 C ATOM 600 CG ARG A 41 -5.133 -2.278 6.547 1.00 0.00 C ATOM 601 CD ARG A 41 -5.754 -3.665 6.562 1.00 0.00 C ATOM 602 NE ARG A 41 -6.439 -3.911 7.837 1.00 0.00 N ATOM 603 CZ ARG A 41 -6.006 -4.670 8.844 1.00 0.00 C ATOM 604 NH1 ARG A 41 -5.048 -5.578 8.680 1.00 0.00 N ATOM 605 NH2 ARG A 41 -6.558 -4.519 10.038 1.00 0.00 N ATOM 0 H ARG A 41 -3.722 -0.396 5.202 1.00 0.00 H new ATOM 0 HA ARG A 41 -6.201 0.982 6.094 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -6.873 -1.119 7.069 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -6.659 -1.345 5.345 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -4.352 -2.250 5.787 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -4.650 -2.099 7.507 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -6.461 -3.761 5.738 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -4.981 -4.417 6.408 1.00 0.00 H new ATOM 0 HE ARG A 41 -7.341 -3.453 7.966 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -4.622 -5.710 7.763 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -4.740 -6.143 9.472 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -7.300 -3.832 10.174 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -6.242 -5.090 10.822 1.00 0.00 H new ATOM 619 N GLU A 42 -5.189 0.760 8.538 1.00 0.00 N ATOM 620 CA GLU A 42 -4.530 0.895 9.818 1.00 0.00 C ATOM 621 C GLU A 42 -4.649 -0.451 10.543 1.00 0.00 C ATOM 622 O GLU A 42 -5.582 -1.232 10.303 1.00 0.00 O ATOM 623 CB GLU A 42 -5.168 2.090 10.539 1.00 0.00 C ATOM 624 CG GLU A 42 -4.448 2.471 11.841 1.00 0.00 C ATOM 625 CD GLU A 42 -5.366 3.201 12.825 1.00 0.00 C ATOM 626 OE1 GLU A 42 -6.478 2.720 13.126 1.00 0.00 O ATOM 627 OE2 GLU A 42 -4.988 4.295 13.310 1.00 0.00 O ATOM 0 H GLU A 42 -6.198 0.899 8.591 1.00 0.00 H new ATOM 0 HA GLU A 42 -3.464 1.111 9.753 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.171 2.950 9.869 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.209 1.857 10.763 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.057 1.570 12.314 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.593 3.105 11.608 1.00 0.00 H new ATOM 634 N SER A 43 -3.687 -0.741 11.418 1.00 0.00 N ATOM 635 CA SER A 43 -3.812 -1.787 12.411 1.00 0.00 C ATOM 636 C SER A 43 -4.953 -1.417 13.370 1.00 0.00 C ATOM 637 O SER A 43 -5.470 -0.305 13.363 1.00 0.00 O ATOM 638 CB SER A 43 -2.471 -1.922 13.133 1.00 0.00 C ATOM 639 OG SER A 43 -2.353 -3.188 13.760 1.00 0.00 O ATOM 0 H SER A 43 -2.795 -0.248 11.451 1.00 0.00 H new ATOM 0 HA SER A 43 -4.054 -2.749 11.959 1.00 0.00 H new ATOM 0 HB2 SER A 43 -1.656 -1.788 12.421 1.00 0.00 H new ATOM 0 HB3 SER A 43 -2.375 -1.133 13.879 1.00 0.00 H new ATOM 0 HG SER A 43 -1.486 -3.249 14.213 1.00 0.00 H new ATOM 645 N GLN A 44 -5.414 -2.366 14.181 1.00 0.00 N ATOM 646 CA GLN A 44 -6.611 -2.148 14.985 1.00 0.00 C ATOM 647 C GLN A 44 -6.223 -1.350 16.236 1.00 0.00 C ATOM 648 O GLN A 44 -5.917 -1.948 17.275 1.00 0.00 O ATOM 649 CB GLN A 44 -7.326 -3.480 15.289 1.00 0.00 C ATOM 650 CG GLN A 44 -7.436 -4.453 14.111 1.00 0.00 C ATOM 651 CD GLN A 44 -8.438 -4.042 13.032 1.00 0.00 C ATOM 652 OE1 GLN A 44 -9.399 -4.768 12.787 1.00 0.00 O ATOM 653 NE2 GLN A 44 -8.224 -2.950 12.311 1.00 0.00 N ATOM 0 H GLN A 44 -4.982 -3.283 14.298 1.00 0.00 H new ATOM 0 HA GLN A 44 -7.342 -1.558 14.432 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -6.798 -3.979 16.102 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -8.330 -3.259 15.650 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -6.453 -4.559 13.653 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -7.717 -5.434 14.493 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -7.425 -2.351 12.518 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -8.858 -2.709 11.549 1.00 0.00 H new ATOM 662 N GLY A 45 -6.243 -0.020 16.169 1.00 0.00 N ATOM 663 CA GLY A 45 -5.985 0.844 17.320 1.00 0.00 C ATOM 664 C GLY A 45 -4.499 1.111 17.552 1.00 0.00 C ATOM 665 O GLY A 45 -4.098 1.413 18.678 1.00 0.00 O ATOM 0 H GLY A 45 -6.440 0.492 15.309 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.500 1.794 17.176 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -6.409 0.384 18.213 1.00 0.00 H new ATOM 669 N LYS A 46 -3.654 0.889 16.539 1.00 0.00 N ATOM 670 CA LYS A 46 -2.221 1.175 16.579 1.00 0.00 C ATOM 671 C LYS A 46 -1.966 2.155 15.446 1.00 0.00 C ATOM 672 O LYS A 46 -2.550 1.993 14.378 1.00 0.00 O ATOM 673 CB LYS A 46 -1.344 -0.090 16.430 1.00 0.00 C ATOM 674 CG LYS A 46 -1.888 -1.397 17.034 1.00 0.00 C ATOM 675 CD LYS A 46 -2.020 -1.356 18.563 1.00 0.00 C ATOM 676 CE LYS A 46 -2.949 -2.460 19.079 1.00 0.00 C ATOM 677 NZ LYS A 46 -2.298 -3.784 19.107 1.00 0.00 N ATOM 0 H LYS A 46 -3.958 0.496 15.648 1.00 0.00 H new ATOM 0 HA LYS A 46 -1.947 1.587 17.550 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.168 -0.256 15.367 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.375 0.115 16.885 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.864 -1.611 16.598 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -1.228 -2.219 16.756 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -1.035 -1.467 19.017 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.405 -0.383 18.870 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -3.288 -2.205 20.083 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -3.835 -2.509 18.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -2.970 -4.494 19.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -1.998 -4.044 18.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -1.467 -3.749 19.732 1.00 0.00 H new ATOM 691 N GLN A 47 -1.086 3.129 15.654 1.00 0.00 N ATOM 692 CA GLN A 47 -0.789 4.221 14.725 1.00 0.00 C ATOM 693 C GLN A 47 0.059 3.747 13.529 1.00 0.00 C ATOM 694 O GLN A 47 0.903 4.494 13.030 1.00 0.00 O ATOM 695 CB GLN A 47 -0.081 5.337 15.520 1.00 0.00 C ATOM 696 CG GLN A 47 -0.991 5.961 16.583 1.00 0.00 C ATOM 697 CD GLN A 47 -0.226 6.892 17.514 1.00 0.00 C ATOM 698 OE1 GLN A 47 0.289 7.940 17.113 1.00 0.00 O ATOM 699 NE2 GLN A 47 -0.143 6.536 18.783 1.00 0.00 N ATOM 0 H GLN A 47 -0.535 3.184 16.511 1.00 0.00 H new ATOM 0 HA GLN A 47 -1.716 4.600 14.295 1.00 0.00 H new ATOM 0 HB2 GLN A 47 0.809 4.929 16.000 1.00 0.00 H new ATOM 0 HB3 GLN A 47 0.255 6.113 14.832 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -1.792 6.515 16.094 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -1.461 5.170 17.167 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -0.574 5.667 19.098 1.00 0.00 H new ATOM 0 HE22 GLN A 47 0.352 7.130 19.448 1.00 0.00 H new ATOM 708 N GLU A 48 -0.091 2.491 13.115 1.00 0.00 N ATOM 709 CA GLU A 48 0.762 1.773 12.196 1.00 0.00 C ATOM 710 C GLU A 48 -0.136 1.224 11.103 1.00 0.00 C ATOM 711 O GLU A 48 -1.145 0.562 11.372 1.00 0.00 O ATOM 712 CB GLU A 48 1.501 0.682 12.981 1.00 0.00 C ATOM 713 CG GLU A 48 1.889 -0.561 12.174 1.00 0.00 C ATOM 714 CD GLU A 48 2.773 -1.467 13.031 1.00 0.00 C ATOM 715 OE1 GLU A 48 2.237 -2.232 13.867 1.00 0.00 O ATOM 716 OE2 GLU A 48 4.018 -1.351 12.964 1.00 0.00 O ATOM 0 H GLU A 48 -0.868 1.916 13.441 1.00 0.00 H new ATOM 0 HA GLU A 48 1.523 2.399 11.731 1.00 0.00 H new ATOM 0 HB2 GLU A 48 2.406 1.115 13.407 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.873 0.371 13.816 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.994 -1.099 11.861 1.00 0.00 H new ATOM 0 HG3 GLU A 48 2.419 -0.269 11.268 1.00 0.00 H new ATOM 723 N TYR A 49 0.236 1.531 9.868 1.00 0.00 N ATOM 724 CA TYR A 49 -0.491 1.100 8.698 1.00 0.00 C ATOM 725 C TYR A 49 -0.085 -0.307 8.282 1.00 0.00 C ATOM 726 O TYR A 49 0.950 -0.852 8.672 1.00 0.00 O ATOM 727 CB TYR A 49 -0.306 2.129 7.579 1.00 0.00 C ATOM 728 CG TYR A 49 -0.941 3.464 7.891 1.00 0.00 C ATOM 729 CD1 TYR A 49 -2.321 3.536 8.152 1.00 0.00 C ATOM 730 CD2 TYR A 49 -0.153 4.629 7.943 1.00 0.00 C ATOM 731 CE1 TYR A 49 -2.900 4.755 8.540 1.00 0.00 C ATOM 732 CE2 TYR A 49 -0.735 5.862 8.276 1.00 0.00 C ATOM 733 CZ TYR A 49 -2.104 5.923 8.613 1.00 0.00 C ATOM 734 OH TYR A 49 -2.640 7.117 8.977 1.00 0.00 O ATOM 0 H TYR A 49 1.061 2.092 9.656 1.00 0.00 H new ATOM 0 HA TYR A 49 -1.555 1.045 8.929 1.00 0.00 H new ATOM 0 HB2 TYR A 49 0.759 2.273 7.399 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -0.735 1.736 6.657 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -2.936 2.653 8.054 1.00 0.00 H new ATOM 0 HD2 TYR A 49 0.904 4.574 7.726 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -3.951 4.801 8.782 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -0.137 6.761 8.274 1.00 0.00 H new ATOM 0 HH TYR A 49 -3.500 7.242 8.523 1.00 0.00 H new ATOM 744 N VAL A 50 -0.917 -0.900 7.441 1.00 0.00 N ATOM 745 CA VAL A 50 -0.796 -2.237 6.918 1.00 0.00 C ATOM 746 C VAL A 50 -1.121 -2.117 5.446 1.00 0.00 C ATOM 747 O VAL A 50 -2.165 -1.593 5.046 1.00 0.00 O ATOM 748 CB VAL A 50 -1.777 -3.193 7.608 1.00 0.00 C ATOM 749 CG1 VAL A 50 -1.441 -4.660 7.314 1.00 0.00 C ATOM 750 CG2 VAL A 50 -1.835 -2.986 9.112 1.00 0.00 C ATOM 0 H VAL A 50 -1.746 -0.423 7.087 1.00 0.00 H new ATOM 0 HA VAL A 50 0.200 -2.645 7.088 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.757 -2.958 7.192 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.158 -5.306 7.820 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.489 -4.836 6.239 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.436 -4.882 7.673 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.545 -3.689 9.549 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -0.847 -3.154 9.541 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.155 -1.966 9.327 1.00 0.00 H new ATOM 760 N LEU A 51 -0.194 -2.582 4.640 1.00 0.00 N ATOM 761 CA LEU A 51 -0.419 -2.798 3.226 1.00 0.00 C ATOM 762 C LEU A 51 -1.239 -4.063 3.115 1.00 0.00 C ATOM 763 O LEU A 51 -0.911 -5.061 3.760 1.00 0.00 O ATOM 764 CB LEU A 51 0.928 -3.009 2.519 1.00 0.00 C ATOM 765 CG LEU A 51 0.828 -2.866 0.996 1.00 0.00 C ATOM 766 CD1 LEU A 51 0.781 -1.389 0.608 1.00 0.00 C ATOM 767 CD2 LEU A 51 2.033 -3.551 0.356 1.00 0.00 C ATOM 0 H LEU A 51 0.747 -2.824 4.949 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.924 -1.947 2.769 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.650 -2.287 2.900 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.309 -4.001 2.762 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.088 -3.338 0.640 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.710 -1.300 -0.476 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.088 -0.919 1.068 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.688 -0.893 0.954 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.972 -3.456 -0.728 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.950 -3.081 0.711 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.038 -4.607 0.628 1.00 0.00 H new ATOM 779 N SER A 52 -2.269 -4.084 2.279 1.00 0.00 N ATOM 780 CA SER A 52 -3.062 -5.286 2.058 1.00 0.00 C ATOM 781 C SER A 52 -3.251 -5.452 0.557 1.00 0.00 C ATOM 782 O SER A 52 -3.938 -4.642 -0.057 1.00 0.00 O ATOM 783 CB SER A 52 -4.359 -5.201 2.857 1.00 0.00 C ATOM 784 OG SER A 52 -4.083 -4.799 4.187 1.00 0.00 O ATOM 0 H SER A 52 -2.576 -3.275 1.739 1.00 0.00 H new ATOM 0 HA SER A 52 -2.562 -6.184 2.420 1.00 0.00 H new ATOM 0 HB2 SER A 52 -5.039 -4.491 2.387 1.00 0.00 H new ATOM 0 HB3 SER A 52 -4.860 -6.169 2.857 1.00 0.00 H new ATOM 0 HG SER A 52 -4.084 -5.584 4.773 1.00 0.00 H new ATOM 790 N VAL A 53 -2.572 -6.438 -0.032 1.00 0.00 N ATOM 791 CA VAL A 53 -2.619 -6.783 -1.449 1.00 0.00 C ATOM 792 C VAL A 53 -2.821 -8.298 -1.551 1.00 0.00 C ATOM 793 O VAL A 53 -2.453 -9.049 -0.642 1.00 0.00 O ATOM 794 CB VAL A 53 -1.349 -6.255 -2.165 1.00 0.00 C ATOM 795 CG1 VAL A 53 -0.052 -6.946 -1.741 1.00 0.00 C ATOM 796 CG2 VAL A 53 -1.413 -6.318 -3.700 1.00 0.00 C ATOM 0 H VAL A 53 -1.944 -7.046 0.494 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.453 -6.305 -1.962 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.333 -5.214 -1.841 1.00 0.00 H new ATOM 0 HG11 VAL A 53 0.786 -6.516 -2.290 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.104 -6.803 -0.672 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -0.120 -8.012 -1.959 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.485 -5.930 -4.119 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -1.549 -7.352 -4.016 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -2.250 -5.717 -4.054 1.00 0.00 H new ATOM 806 N LEU A 54 -3.405 -8.756 -2.648 1.00 0.00 N ATOM 807 CA LEU A 54 -3.666 -10.148 -3.013 1.00 0.00 C ATOM 808 C LEU A 54 -2.469 -10.600 -3.838 1.00 0.00 C ATOM 809 O LEU A 54 -2.079 -9.924 -4.788 1.00 0.00 O ATOM 810 CB LEU A 54 -4.979 -10.249 -3.825 1.00 0.00 C ATOM 811 CG LEU A 54 -5.779 -11.557 -3.753 1.00 0.00 C ATOM 812 CD1 LEU A 54 -4.924 -12.787 -3.549 1.00 0.00 C ATOM 813 CD2 LEU A 54 -6.905 -11.430 -2.733 1.00 0.00 C ATOM 0 H LEU A 54 -3.737 -8.114 -3.368 1.00 0.00 H new ATOM 0 HA LEU A 54 -3.791 -10.782 -2.135 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.634 -9.440 -3.501 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -4.738 -10.064 -4.872 1.00 0.00 H new ATOM 0 HG LEU A 54 -6.230 -11.715 -4.733 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -5.561 -13.670 -3.509 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.222 -12.884 -4.377 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.372 -12.695 -2.614 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -7.465 -12.364 -2.691 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.484 -11.215 -1.751 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -7.572 -10.620 -3.027 1.00 0.00 H new ATOM 825 N TRP A 55 -1.845 -11.725 -3.495 1.00 0.00 N ATOM 826 CA TRP A 55 -0.850 -12.327 -4.371 1.00 0.00 C ATOM 827 C TRP A 55 -1.135 -13.821 -4.395 1.00 0.00 C ATOM 828 O TRP A 55 -1.249 -14.424 -3.328 1.00 0.00 O ATOM 829 CB TRP A 55 0.561 -11.958 -3.889 1.00 0.00 C ATOM 830 CG TRP A 55 1.629 -12.012 -4.940 1.00 0.00 C ATOM 831 CD1 TRP A 55 2.720 -12.806 -4.942 1.00 0.00 C ATOM 832 CD2 TRP A 55 1.758 -11.166 -6.124 1.00 0.00 C ATOM 833 NE1 TRP A 55 3.486 -12.544 -6.065 1.00 0.00 N ATOM 834 CE2 TRP A 55 2.945 -11.531 -6.825 1.00 0.00 C ATOM 835 CE3 TRP A 55 1.014 -10.092 -6.650 1.00 0.00 C ATOM 836 CZ2 TRP A 55 3.368 -10.867 -7.987 1.00 0.00 C ATOM 837 CZ3 TRP A 55 1.425 -9.422 -7.814 1.00 0.00 C ATOM 838 CH2 TRP A 55 2.602 -9.799 -8.483 1.00 0.00 C ATOM 0 H TRP A 55 -2.010 -12.232 -2.625 1.00 0.00 H new ATOM 0 HA TRP A 55 -0.904 -11.954 -5.394 1.00 0.00 H new ATOM 0 HB2 TRP A 55 0.534 -10.951 -3.473 1.00 0.00 H new ATOM 0 HB3 TRP A 55 0.838 -12.631 -3.077 1.00 0.00 H new ATOM 0 HD1 TRP A 55 2.959 -13.536 -4.182 1.00 0.00 H new ATOM 0 HE1 TRP A 55 4.345 -13.040 -6.301 1.00 0.00 H new ATOM 0 HE3 TRP A 55 0.110 -9.778 -6.149 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 4.271 -11.173 -8.494 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 0.830 -8.608 -8.199 1.00 0.00 H new ATOM 0 HH2 TRP A 55 2.915 -9.272 -9.372 1.00 0.00 H new ATOM 849 N ASP A 56 -1.303 -14.391 -5.591 1.00 0.00 N ATOM 850 CA ASP A 56 -1.582 -15.813 -5.831 1.00 0.00 C ATOM 851 C ASP A 56 -2.651 -16.388 -4.886 1.00 0.00 C ATOM 852 O ASP A 56 -2.483 -17.445 -4.278 1.00 0.00 O ATOM 853 CB ASP A 56 -0.260 -16.594 -5.827 1.00 0.00 C ATOM 854 CG ASP A 56 -0.437 -18.069 -6.186 1.00 0.00 C ATOM 855 OD1 ASP A 56 -1.202 -18.391 -7.122 1.00 0.00 O ATOM 856 OD2 ASP A 56 0.275 -18.914 -5.588 1.00 0.00 O ATOM 0 H ASP A 56 -1.246 -13.853 -6.456 1.00 0.00 H new ATOM 0 HA ASP A 56 -2.032 -15.921 -6.818 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.430 -16.134 -6.535 1.00 0.00 H new ATOM 0 HB3 ASP A 56 0.198 -16.518 -4.841 1.00 0.00 H new ATOM 861 N GLY A 57 -3.761 -15.663 -4.726 1.00 0.00 N ATOM 862 CA GLY A 57 -4.948 -16.143 -4.039 1.00 0.00 C ATOM 863 C GLY A 57 -4.871 -15.989 -2.523 1.00 0.00 C ATOM 864 O GLY A 57 -5.799 -16.407 -1.830 1.00 0.00 O ATOM 0 H GLY A 57 -3.855 -14.711 -5.079 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -5.818 -15.600 -4.409 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -5.101 -17.194 -4.283 1.00 0.00 H new ATOM 868 N LEU A 58 -3.811 -15.372 -1.989 1.00 0.00 N ATOM 869 CA LEU A 58 -3.643 -15.137 -0.555 1.00 0.00 C ATOM 870 C LEU A 58 -3.462 -13.630 -0.316 1.00 0.00 C ATOM 871 O LEU A 58 -2.387 -13.104 -0.620 1.00 0.00 O ATOM 872 CB LEU A 58 -2.482 -15.996 -0.028 1.00 0.00 C ATOM 873 CG LEU A 58 -2.299 -16.082 1.501 1.00 0.00 C ATOM 874 CD1 LEU A 58 -1.080 -16.968 1.785 1.00 0.00 C ATOM 875 CD2 LEU A 58 -2.065 -14.743 2.212 1.00 0.00 C ATOM 0 H LEU A 58 -3.037 -15.018 -2.550 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.526 -15.442 0.006 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.613 -17.009 -0.409 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.557 -15.611 -0.457 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.237 -16.479 1.889 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.929 -17.045 2.862 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.248 -17.962 1.370 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.195 -16.528 1.325 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.949 -14.915 3.282 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.162 -14.276 1.819 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.918 -14.086 2.040 1.00 0.00 H new ATOM 887 N PRO A 59 -4.474 -12.925 0.234 1.00 0.00 N ATOM 888 CA PRO A 59 -4.371 -11.536 0.684 1.00 0.00 C ATOM 889 C PRO A 59 -3.347 -11.405 1.814 1.00 0.00 C ATOM 890 O PRO A 59 -3.670 -11.611 2.994 1.00 0.00 O ATOM 891 CB PRO A 59 -5.779 -11.113 1.121 1.00 0.00 C ATOM 892 CG PRO A 59 -6.429 -12.437 1.503 1.00 0.00 C ATOM 893 CD PRO A 59 -5.777 -13.464 0.597 1.00 0.00 C ATOM 0 HA PRO A 59 -4.016 -10.882 -0.112 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -5.750 -10.420 1.962 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -6.319 -10.615 0.316 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -6.260 -12.672 2.554 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -7.508 -12.406 1.353 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -5.673 -14.421 1.108 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -6.385 -13.641 -0.290 1.00 0.00 H new ATOM 901 N ARG A 60 -2.105 -11.063 1.456 1.00 0.00 N ATOM 902 CA ARG A 60 -1.056 -10.763 2.434 1.00 0.00 C ATOM 903 C ARG A 60 -1.416 -9.511 3.245 1.00 0.00 C ATOM 904 O ARG A 60 -2.447 -8.868 3.025 1.00 0.00 O ATOM 905 CB ARG A 60 0.286 -10.567 1.718 1.00 0.00 C ATOM 906 CG ARG A 60 0.783 -11.782 0.913 1.00 0.00 C ATOM 907 CD ARG A 60 1.515 -12.786 1.813 1.00 0.00 C ATOM 908 NE ARG A 60 2.272 -13.746 1.002 1.00 0.00 N ATOM 909 CZ ARG A 60 2.650 -14.981 1.338 1.00 0.00 C ATOM 910 NH1 ARG A 60 2.338 -15.517 2.515 1.00 0.00 N ATOM 911 NH2 ARG A 60 3.360 -15.673 0.466 1.00 0.00 N ATOM 0 H ARG A 60 -1.800 -10.987 0.486 1.00 0.00 H new ATOM 0 HA ARG A 60 -0.970 -11.603 3.123 1.00 0.00 H new ATOM 0 HB2 ARG A 60 0.199 -9.715 1.043 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.041 -10.309 2.460 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.063 -12.272 0.431 1.00 0.00 H new ATOM 0 HG3 ARG A 60 1.451 -11.447 0.120 1.00 0.00 H new ATOM 0 HD2 ARG A 60 2.190 -12.256 2.485 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.795 -13.316 2.437 1.00 0.00 H new ATOM 0 HE ARG A 60 2.542 -13.432 0.070 1.00 0.00 H new ATOM 0 HH11 ARG A 60 1.794 -14.981 3.191 1.00 0.00 H new ATOM 0 HH12 ARG A 60 2.642 -16.464 2.741 1.00 0.00 H new ATOM 0 HH21 ARG A 60 3.604 -15.261 -0.434 1.00 0.00 H new ATOM 0 HH22 ARG A 60 3.664 -16.620 0.693 1.00 0.00 H new ATOM 925 N HIS A 61 -0.571 -9.181 4.227 1.00 0.00 N ATOM 926 CA HIS A 61 -0.838 -8.097 5.167 1.00 0.00 C ATOM 927 C HIS A 61 0.434 -7.464 5.707 1.00 0.00 C ATOM 928 O HIS A 61 0.631 -7.294 6.914 1.00 0.00 O ATOM 929 CB HIS A 61 -1.727 -8.640 6.291 1.00 0.00 C ATOM 930 CG HIS A 61 -1.106 -9.787 7.055 1.00 0.00 C ATOM 931 ND1 HIS A 61 -0.192 -9.651 8.068 1.00 0.00 N ATOM 932 CD2 HIS A 61 -1.255 -11.127 6.809 1.00 0.00 C ATOM 933 CE1 HIS A 61 0.209 -10.873 8.429 1.00 0.00 C ATOM 934 NE2 HIS A 61 -0.390 -11.817 7.673 1.00 0.00 N ATOM 0 H HIS A 61 0.315 -9.659 4.389 1.00 0.00 H new ATOM 0 HA HIS A 61 -1.357 -7.294 4.643 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -1.953 -7.832 6.986 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -2.675 -8.969 5.866 1.00 0.00 H new ATOM 0 HD1 HIS A 61 0.126 -8.771 8.475 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -1.918 -11.572 6.082 1.00 0.00 H new ATOM 0 HE1 HIS A 61 0.917 -11.078 9.219 1.00 0.00 H new ATOM 942 N PHE A 62 1.338 -7.186 4.786 1.00 0.00 N ATOM 943 CA PHE A 62 2.638 -6.644 5.114 1.00 0.00 C ATOM 944 C PHE A 62 2.448 -5.309 5.832 1.00 0.00 C ATOM 945 O PHE A 62 1.877 -4.375 5.274 1.00 0.00 O ATOM 946 CB PHE A 62 3.519 -6.518 3.870 1.00 0.00 C ATOM 947 CG PHE A 62 3.576 -7.738 2.967 1.00 0.00 C ATOM 948 CD1 PHE A 62 4.435 -8.815 3.240 1.00 0.00 C ATOM 949 CD2 PHE A 62 2.769 -7.790 1.824 1.00 0.00 C ATOM 950 CE1 PHE A 62 4.497 -9.924 2.379 1.00 0.00 C ATOM 951 CE2 PHE A 62 2.846 -8.879 0.942 1.00 0.00 C ATOM 952 CZ PHE A 62 3.715 -9.951 1.216 1.00 0.00 C ATOM 0 H PHE A 62 1.188 -7.331 3.788 1.00 0.00 H new ATOM 0 HA PHE A 62 3.163 -7.326 5.783 1.00 0.00 H new ATOM 0 HB2 PHE A 62 3.164 -5.672 3.282 1.00 0.00 H new ATOM 0 HB3 PHE A 62 4.533 -6.280 4.190 1.00 0.00 H new ATOM 0 HD1 PHE A 62 5.056 -8.791 4.123 1.00 0.00 H new ATOM 0 HD2 PHE A 62 2.080 -6.984 1.619 1.00 0.00 H new ATOM 0 HE1 PHE A 62 5.146 -10.755 2.613 1.00 0.00 H new ATOM 0 HE2 PHE A 62 2.237 -8.894 0.051 1.00 0.00 H new ATOM 0 HZ PHE A 62 3.779 -10.788 0.536 1.00 0.00 H new ATOM 962 N ILE A 63 2.885 -5.231 7.086 1.00 0.00 N ATOM 963 CA ILE A 63 2.880 -3.990 7.853 1.00 0.00 C ATOM 964 C ILE A 63 3.672 -2.940 7.056 1.00 0.00 C ATOM 965 O ILE A 63 4.671 -3.267 6.401 1.00 0.00 O ATOM 966 CB ILE A 63 3.416 -4.276 9.276 1.00 0.00 C ATOM 967 CG1 ILE A 63 2.379 -5.067 10.116 1.00 0.00 C ATOM 968 CG2 ILE A 63 3.859 -3.017 10.022 1.00 0.00 C ATOM 969 CD1 ILE A 63 1.259 -4.200 10.714 1.00 0.00 C ATOM 0 H ILE A 63 3.254 -6.031 7.600 1.00 0.00 H new ATOM 0 HA ILE A 63 1.880 -3.582 7.997 1.00 0.00 H new ATOM 0 HB ILE A 63 4.307 -4.889 9.141 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.931 -5.837 9.488 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.899 -5.579 10.926 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.223 -3.290 11.012 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.656 -2.525 9.465 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.013 -2.337 10.122 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.577 -4.830 11.286 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.694 -3.446 11.370 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.711 -3.709 9.910 1.00 0.00 H new ATOM 981 N ILE A 64 3.192 -1.695 7.057 1.00 0.00 N ATOM 982 CA ILE A 64 3.875 -0.593 6.403 1.00 0.00 C ATOM 983 C ILE A 64 5.174 -0.318 7.158 1.00 0.00 C ATOM 984 O ILE A 64 5.283 -0.484 8.376 1.00 0.00 O ATOM 985 CB ILE A 64 2.942 0.634 6.312 1.00 0.00 C ATOM 986 CG1 ILE A 64 1.748 0.367 5.378 1.00 0.00 C ATOM 987 CG2 ILE A 64 3.639 1.944 5.920 1.00 0.00 C ATOM 988 CD1 ILE A 64 2.083 0.248 3.900 1.00 0.00 C ATOM 0 H ILE A 64 2.319 -1.429 7.513 1.00 0.00 H new ATOM 0 HA ILE A 64 4.135 -0.844 5.375 1.00 0.00 H new ATOM 0 HB ILE A 64 2.583 0.779 7.331 1.00 0.00 H new ATOM 0 HG12 ILE A 64 1.260 -0.554 5.697 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.024 1.172 5.504 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.905 2.749 5.881 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.403 2.185 6.659 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.104 1.830 4.941 1.00 0.00 H new ATOM 0 HD11 ILE A 64 1.171 0.060 3.334 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.540 1.175 3.555 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.779 -0.577 3.750 1.00 0.00 H new ATOM 1000 N GLN A 65 6.157 0.106 6.375 1.00 0.00 N ATOM 1001 CA GLN A 65 7.544 0.298 6.762 1.00 0.00 C ATOM 1002 C GLN A 65 7.676 1.389 7.822 1.00 0.00 C ATOM 1003 O GLN A 65 6.724 2.142 8.038 1.00 0.00 O ATOM 1004 CB GLN A 65 8.355 0.631 5.498 1.00 0.00 C ATOM 1005 CG GLN A 65 7.986 -0.263 4.291 1.00 0.00 C ATOM 1006 CD GLN A 65 7.020 0.303 3.247 1.00 0.00 C ATOM 1007 OE1 GLN A 65 6.876 -0.267 2.174 1.00 0.00 O ATOM 1008 NE2 GLN A 65 6.284 1.370 3.504 1.00 0.00 N ATOM 0 H GLN A 65 5.995 0.338 5.395 1.00 0.00 H new ATOM 0 HA GLN A 65 7.934 -0.615 7.212 1.00 0.00 H new ATOM 0 HB2 GLN A 65 8.192 1.676 5.233 1.00 0.00 H new ATOM 0 HB3 GLN A 65 9.417 0.519 5.715 1.00 0.00 H new ATOM 0 HG2 GLN A 65 8.910 -0.532 3.780 1.00 0.00 H new ATOM 0 HG3 GLN A 65 7.556 -1.186 4.678 1.00 0.00 H new ATOM 0 HE21 GLN A 65 6.389 1.860 4.393 1.00 0.00 H new ATOM 0 HE22 GLN A 65 5.611 1.704 2.814 1.00 0.00 H new ATOM 1017 N SER A 66 8.838 1.502 8.465 1.00 0.00 N ATOM 1018 CA SER A 66 9.114 2.475 9.516 1.00 0.00 C ATOM 1019 C SER A 66 10.544 2.257 10.006 1.00 0.00 C ATOM 1020 O SER A 66 10.941 1.146 10.378 1.00 0.00 O ATOM 1021 CB SER A 66 8.090 2.302 10.642 1.00 0.00 C ATOM 1022 OG SER A 66 8.368 2.980 11.849 1.00 0.00 O ATOM 0 H SER A 66 9.636 0.900 8.261 1.00 0.00 H new ATOM 0 HA SER A 66 9.027 3.496 9.145 1.00 0.00 H new ATOM 0 HB2 SER A 66 7.119 2.638 10.277 1.00 0.00 H new ATOM 0 HB3 SER A 66 7.998 1.238 10.860 1.00 0.00 H new ATOM 0 HG SER A 66 7.653 2.803 12.496 1.00 0.00 H new ATOM 1028 N LEU A 67 11.308 3.344 10.011 1.00 0.00 N ATOM 1029 CA LEU A 67 12.687 3.404 10.463 1.00 0.00 C ATOM 1030 C LEU A 67 12.835 4.587 11.403 1.00 0.00 C ATOM 1031 O LEU A 67 12.634 4.425 12.605 1.00 0.00 O ATOM 1032 CB LEU A 67 13.706 3.400 9.305 1.00 0.00 C ATOM 1033 CG LEU A 67 13.350 4.184 8.019 1.00 0.00 C ATOM 1034 CD1 LEU A 67 14.617 4.408 7.189 1.00 0.00 C ATOM 1035 CD2 LEU A 67 12.327 3.427 7.170 1.00 0.00 C ATOM 0 H LEU A 67 10.964 4.247 9.684 1.00 0.00 H new ATOM 0 HA LEU A 67 12.924 2.493 11.012 1.00 0.00 H new ATOM 0 HB2 LEU A 67 14.647 3.796 9.687 1.00 0.00 H new ATOM 0 HB3 LEU A 67 13.887 2.363 9.024 1.00 0.00 H new ATOM 0 HG LEU A 67 12.916 5.139 8.316 1.00 0.00 H new ATOM 0 HD11 LEU A 67 14.366 4.960 6.283 1.00 0.00 H new ATOM 0 HD12 LEU A 67 15.339 4.979 7.773 1.00 0.00 H new ATOM 0 HD13 LEU A 67 15.050 3.445 6.918 1.00 0.00 H new ATOM 0 HD21 LEU A 67 12.099 4.005 6.274 1.00 0.00 H new ATOM 0 HD22 LEU A 67 12.738 2.459 6.883 1.00 0.00 H new ATOM 0 HD23 LEU A 67 11.415 3.277 7.747 1.00 0.00 H new ATOM 1047 N ASP A 68 13.143 5.769 10.872 1.00 0.00 N ATOM 1048 CA ASP A 68 13.414 6.947 11.687 1.00 0.00 C ATOM 1049 C ASP A 68 12.360 7.988 11.378 1.00 0.00 C ATOM 1050 O ASP A 68 11.524 8.307 12.225 1.00 0.00 O ATOM 1051 CB ASP A 68 14.840 7.453 11.434 1.00 0.00 C ATOM 1052 CG ASP A 68 15.840 6.685 12.290 1.00 0.00 C ATOM 1053 OD1 ASP A 68 15.805 6.862 13.528 1.00 0.00 O ATOM 1054 OD2 ASP A 68 16.601 5.865 11.730 1.00 0.00 O ATOM 0 H ASP A 68 13.211 5.935 9.868 1.00 0.00 H new ATOM 0 HA ASP A 68 13.360 6.707 12.749 1.00 0.00 H new ATOM 0 HB2 ASP A 68 15.091 7.338 10.380 1.00 0.00 H new ATOM 0 HB3 ASP A 68 14.900 8.517 11.661 1.00 0.00 H new ATOM 1059 N ASN A 69 12.342 8.460 10.131 1.00 0.00 N ATOM 1060 CA ASN A 69 11.416 9.464 9.636 1.00 0.00 C ATOM 1061 C ASN A 69 10.960 9.169 8.200 1.00 0.00 C ATOM 1062 O ASN A 69 10.516 10.056 7.474 1.00 0.00 O ATOM 1063 CB ASN A 69 12.097 10.830 9.752 1.00 0.00 C ATOM 1064 CG ASN A 69 11.102 11.963 9.566 1.00 0.00 C ATOM 1065 OD1 ASN A 69 9.993 11.933 10.090 1.00 0.00 O ATOM 1066 ND2 ASN A 69 11.492 12.998 8.855 1.00 0.00 N ATOM 0 H ASN A 69 12.997 8.139 9.418 1.00 0.00 H new ATOM 0 HA ASN A 69 10.507 9.453 10.237 1.00 0.00 H new ATOM 0 HB2 ASN A 69 12.574 10.919 10.728 1.00 0.00 H new ATOM 0 HB3 ASN A 69 12.886 10.910 9.004 1.00 0.00 H new ATOM 0 HD21 ASN A 69 10.868 13.796 8.731 1.00 0.00 H new ATOM 0 HD22 ASN A 69 12.418 13.003 8.428 1.00 0.00 H new ATOM 1073 N LEU A 70 11.176 7.936 7.743 1.00 0.00 N ATOM 1074 CA LEU A 70 10.928 7.460 6.381 1.00 0.00 C ATOM 1075 C LEU A 70 10.205 6.112 6.446 1.00 0.00 C ATOM 1076 O LEU A 70 9.941 5.598 7.534 1.00 0.00 O ATOM 1077 CB LEU A 70 12.245 7.278 5.592 1.00 0.00 C ATOM 1078 CG LEU A 70 13.241 8.453 5.598 1.00 0.00 C ATOM 1079 CD1 LEU A 70 14.652 7.891 5.447 1.00 0.00 C ATOM 1080 CD2 LEU A 70 12.939 9.459 4.486 1.00 0.00 C ATOM 0 H LEU A 70 11.549 7.202 8.345 1.00 0.00 H new ATOM 0 HA LEU A 70 10.320 8.206 5.869 1.00 0.00 H new ATOM 0 HB2 LEU A 70 12.756 6.400 5.987 1.00 0.00 H new ATOM 0 HB3 LEU A 70 11.989 7.058 4.555 1.00 0.00 H new ATOM 0 HG LEU A 70 13.150 8.991 6.541 1.00 0.00 H new ATOM 0 HD11 LEU A 70 15.372 8.710 5.449 1.00 0.00 H new ATOM 0 HD12 LEU A 70 14.866 7.217 6.277 1.00 0.00 H new ATOM 0 HD13 LEU A 70 14.727 7.344 4.507 1.00 0.00 H new ATOM 0 HD21 LEU A 70 13.664 10.272 4.524 1.00 0.00 H new ATOM 0 HD22 LEU A 70 13.003 8.962 3.518 1.00 0.00 H new ATOM 0 HD23 LEU A 70 11.935 9.861 4.622 1.00 0.00 H new ATOM 1092 N TYR A 71 9.983 5.514 5.277 1.00 0.00 N ATOM 1093 CA TYR A 71 9.370 4.217 5.035 1.00 0.00 C ATOM 1094 C TYR A 71 10.247 3.545 3.964 1.00 0.00 C ATOM 1095 O TYR A 71 10.460 4.190 2.939 1.00 0.00 O ATOM 1096 CB TYR A 71 7.952 4.479 4.484 1.00 0.00 C ATOM 1097 CG TYR A 71 7.139 5.474 5.287 1.00 0.00 C ATOM 1098 CD1 TYR A 71 6.450 5.048 6.432 1.00 0.00 C ATOM 1099 CD2 TYR A 71 7.122 6.833 4.923 1.00 0.00 C ATOM 1100 CE1 TYR A 71 5.794 5.972 7.257 1.00 0.00 C ATOM 1101 CE2 TYR A 71 6.464 7.771 5.737 1.00 0.00 C ATOM 1102 CZ TYR A 71 5.821 7.345 6.925 1.00 0.00 C ATOM 1103 OH TYR A 71 5.259 8.259 7.759 1.00 0.00 O ATOM 0 H TYR A 71 10.252 5.966 4.403 1.00 0.00 H new ATOM 0 HA TYR A 71 9.297 3.591 5.924 1.00 0.00 H new ATOM 0 HB2 TYR A 71 8.035 4.840 3.459 1.00 0.00 H new ATOM 0 HB3 TYR A 71 7.411 3.534 4.446 1.00 0.00 H new ATOM 0 HD1 TYR A 71 6.425 3.997 6.681 1.00 0.00 H new ATOM 0 HD2 TYR A 71 7.615 7.156 4.018 1.00 0.00 H new ATOM 0 HE1 TYR A 71 5.271 5.637 8.141 1.00 0.00 H new ATOM 0 HE2 TYR A 71 6.449 8.814 5.457 1.00 0.00 H new ATOM 0 HH TYR A 71 5.367 9.157 7.381 1.00 0.00 H new ATOM 1113 N ARG A 72 10.780 2.326 4.164 1.00 0.00 N ATOM 1114 CA ARG A 72 11.680 1.615 3.227 1.00 0.00 C ATOM 1115 C ARG A 72 11.426 0.109 3.277 1.00 0.00 C ATOM 1116 O ARG A 72 11.155 -0.377 4.374 1.00 0.00 O ATOM 1117 CB ARG A 72 13.147 1.862 3.621 1.00 0.00 C ATOM 1118 CG ARG A 72 13.549 1.305 4.995 1.00 0.00 C ATOM 1119 CD ARG A 72 14.176 -0.090 4.976 1.00 0.00 C ATOM 1120 NE ARG A 72 15.645 -0.025 5.019 1.00 0.00 N ATOM 1121 CZ ARG A 72 16.385 0.335 6.073 1.00 0.00 C ATOM 1122 NH1 ARG A 72 15.827 0.527 7.265 1.00 0.00 N ATOM 1123 NH2 ARG A 72 17.686 0.533 5.909 1.00 0.00 N ATOM 0 H ARG A 72 10.592 1.788 5.010 1.00 0.00 H new ATOM 0 HA ARG A 72 11.485 1.991 2.223 1.00 0.00 H new ATOM 0 HB2 ARG A 72 13.792 1.418 2.862 1.00 0.00 H new ATOM 0 HB3 ARG A 72 13.335 2.936 3.611 1.00 0.00 H new ATOM 0 HG2 ARG A 72 14.254 1.996 5.457 1.00 0.00 H new ATOM 0 HG3 ARG A 72 12.664 1.279 5.631 1.00 0.00 H new ATOM 0 HD2 ARG A 72 13.812 -0.665 5.828 1.00 0.00 H new ATOM 0 HD3 ARG A 72 13.861 -0.619 4.076 1.00 0.00 H new ATOM 0 HE ARG A 72 16.145 -0.278 4.167 1.00 0.00 H new ATOM 0 HH11 ARG A 72 14.822 0.400 7.384 1.00 0.00 H new ATOM 0 HH12 ARG A 72 16.404 0.801 8.060 1.00 0.00 H new ATOM 0 HH21 ARG A 72 18.109 0.410 4.989 1.00 0.00 H new ATOM 0 HH22 ARG A 72 18.264 0.808 6.703 1.00 0.00 H new ATOM 1137 N LEU A 73 11.516 -0.637 2.168 1.00 0.00 N ATOM 1138 CA LEU A 73 11.136 -2.063 2.182 1.00 0.00 C ATOM 1139 C LEU A 73 12.084 -3.011 1.478 1.00 0.00 C ATOM 1140 O LEU A 73 12.112 -4.202 1.807 1.00 0.00 O ATOM 1141 CB LEU A 73 9.762 -2.242 1.534 1.00 0.00 C ATOM 1142 CG LEU A 73 9.048 -3.546 1.903 1.00 0.00 C ATOM 1143 CD1 LEU A 73 9.038 -3.833 3.411 1.00 0.00 C ATOM 1144 CD2 LEU A 73 7.648 -3.425 1.374 1.00 0.00 C ATOM 0 H LEU A 73 11.841 -0.290 1.266 1.00 0.00 H new ATOM 0 HA LEU A 73 11.153 -2.326 3.240 1.00 0.00 H new ATOM 0 HB2 LEU A 73 9.128 -1.403 1.820 1.00 0.00 H new ATOM 0 HB3 LEU A 73 9.877 -2.200 0.451 1.00 0.00 H new ATOM 0 HG LEU A 73 9.582 -4.388 1.463 1.00 0.00 H new ATOM 0 HD11 LEU A 73 8.516 -4.771 3.599 1.00 0.00 H new ATOM 0 HD12 LEU A 73 10.063 -3.909 3.774 1.00 0.00 H new ATOM 0 HD13 LEU A 73 8.528 -3.023 3.932 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.090 -4.331 1.610 1.00 0.00 H new ATOM 0 HD22 LEU A 73 7.158 -2.567 1.835 1.00 0.00 H new ATOM 0 HD23 LEU A 73 7.678 -3.288 0.293 1.00 0.00 H new ATOM 1156 N GLU A 74 12.831 -2.508 0.505 1.00 0.00 N ATOM 1157 CA GLU A 74 13.860 -3.297 -0.136 1.00 0.00 C ATOM 1158 C GLU A 74 15.155 -2.492 -0.160 1.00 0.00 C ATOM 1159 O GLU A 74 16.187 -2.968 0.315 1.00 0.00 O ATOM 1160 CB GLU A 74 13.410 -3.740 -1.531 1.00 0.00 C ATOM 1161 CG GLU A 74 14.429 -4.699 -2.157 1.00 0.00 C ATOM 1162 CD GLU A 74 14.007 -5.106 -3.562 1.00 0.00 C ATOM 1163 OE1 GLU A 74 14.007 -4.235 -4.459 1.00 0.00 O ATOM 1164 OE2 GLU A 74 13.691 -6.300 -3.768 1.00 0.00 O ATOM 0 H GLU A 74 12.740 -1.558 0.146 1.00 0.00 H new ATOM 0 HA GLU A 74 14.042 -4.212 0.428 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.438 -4.228 -1.466 1.00 0.00 H new ATOM 0 HB3 GLU A 74 13.286 -2.867 -2.171 1.00 0.00 H new ATOM 0 HG2 GLU A 74 15.408 -4.222 -2.192 1.00 0.00 H new ATOM 0 HG3 GLU A 74 14.529 -5.587 -1.532 1.00 0.00 H new ATOM 1171 N GLY A 75 15.083 -1.288 -0.725 1.00 0.00 N ATOM 1172 CA GLY A 75 16.194 -0.395 -0.965 1.00 0.00 C ATOM 1173 C GLY A 75 16.061 0.830 -0.069 1.00 0.00 C ATOM 1174 O GLY A 75 15.910 0.690 1.150 1.00 0.00 O ATOM 0 H GLY A 75 14.196 -0.897 -1.041 1.00 0.00 H new ATOM 0 HA2 GLY A 75 17.136 -0.906 -0.764 1.00 0.00 H new ATOM 0 HA3 GLY A 75 16.213 -0.093 -2.012 1.00 0.00 H new ATOM 1178 N GLU A 76 16.134 2.026 -0.653 1.00 0.00 N ATOM 1179 CA GLU A 76 16.047 3.276 0.089 1.00 0.00 C ATOM 1180 C GLU A 76 14.639 3.534 0.649 1.00 0.00 C ATOM 1181 O GLU A 76 13.676 2.824 0.341 1.00 0.00 O ATOM 1182 CB GLU A 76 16.578 4.457 -0.746 1.00 0.00 C ATOM 1183 CG GLU A 76 15.640 4.939 -1.870 1.00 0.00 C ATOM 1184 CD GLU A 76 16.188 6.154 -2.633 1.00 0.00 C ATOM 1185 OE1 GLU A 76 16.990 6.945 -2.071 1.00 0.00 O ATOM 1186 OE2 GLU A 76 15.803 6.350 -3.807 1.00 0.00 O ATOM 0 H GLU A 76 16.256 2.152 -1.658 1.00 0.00 H new ATOM 0 HA GLU A 76 16.695 3.180 0.960 1.00 0.00 H new ATOM 0 HB2 GLU A 76 16.777 5.294 -0.077 1.00 0.00 H new ATOM 0 HB3 GLU A 76 17.531 4.169 -1.189 1.00 0.00 H new ATOM 0 HG2 GLU A 76 15.474 4.122 -2.572 1.00 0.00 H new ATOM 0 HG3 GLU A 76 14.671 5.194 -1.442 1.00 0.00 H new ATOM 1193 N GLY A 77 14.528 4.573 1.481 1.00 0.00 N ATOM 1194 CA GLY A 77 13.278 5.013 2.072 1.00 0.00 C ATOM 1195 C GLY A 77 12.782 6.312 1.463 1.00 0.00 C ATOM 1196 O GLY A 77 13.557 7.042 0.843 1.00 0.00 O ATOM 0 H GLY A 77 15.328 5.139 1.764 1.00 0.00 H new ATOM 0 HA2 GLY A 77 12.522 4.239 1.938 1.00 0.00 H new ATOM 0 HA3 GLY A 77 13.412 5.145 3.146 1.00 0.00 H new ATOM 1200 N PHE A 78 11.506 6.632 1.688 1.00 0.00 N ATOM 1201 CA PHE A 78 10.884 7.870 1.232 1.00 0.00 C ATOM 1202 C PHE A 78 10.219 8.575 2.412 1.00 0.00 C ATOM 1203 O PHE A 78 9.889 7.920 3.400 1.00 0.00 O ATOM 1204 CB PHE A 78 9.849 7.573 0.138 1.00 0.00 C ATOM 1205 CG PHE A 78 10.436 7.464 -1.255 1.00 0.00 C ATOM 1206 CD1 PHE A 78 10.959 6.242 -1.718 1.00 0.00 C ATOM 1207 CD2 PHE A 78 10.455 8.597 -2.095 1.00 0.00 C ATOM 1208 CE1 PHE A 78 11.418 6.126 -3.042 1.00 0.00 C ATOM 1209 CE2 PHE A 78 10.896 8.475 -3.423 1.00 0.00 C ATOM 1210 CZ PHE A 78 11.361 7.236 -3.902 1.00 0.00 C ATOM 0 H PHE A 78 10.867 6.025 2.202 1.00 0.00 H new ATOM 0 HA PHE A 78 11.651 8.522 0.814 1.00 0.00 H new ATOM 0 HB2 PHE A 78 9.338 6.641 0.379 1.00 0.00 H new ATOM 0 HB3 PHE A 78 9.095 8.360 0.143 1.00 0.00 H new ATOM 0 HD1 PHE A 78 11.008 5.391 -1.055 1.00 0.00 H new ATOM 0 HD2 PHE A 78 10.131 9.556 -1.718 1.00 0.00 H new ATOM 0 HE1 PHE A 78 11.813 5.186 -3.397 1.00 0.00 H new ATOM 0 HE2 PHE A 78 10.878 9.334 -4.078 1.00 0.00 H new ATOM 0 HZ PHE A 78 11.674 7.138 -4.931 1.00 0.00 H new ATOM 1220 N PRO A 79 9.979 9.893 2.314 1.00 0.00 N ATOM 1221 CA PRO A 79 9.396 10.696 3.382 1.00 0.00 C ATOM 1222 C PRO A 79 7.874 10.537 3.493 1.00 0.00 C ATOM 1223 O PRO A 79 7.284 10.969 4.480 1.00 0.00 O ATOM 1224 CB PRO A 79 9.766 12.134 3.011 1.00 0.00 C ATOM 1225 CG PRO A 79 9.738 12.104 1.488 1.00 0.00 C ATOM 1226 CD PRO A 79 10.338 10.742 1.187 1.00 0.00 C ATOM 0 HA PRO A 79 9.774 10.388 4.357 1.00 0.00 H new ATOM 0 HB2 PRO A 79 9.053 12.853 3.415 1.00 0.00 H new ATOM 0 HB3 PRO A 79 10.749 12.411 3.393 1.00 0.00 H new ATOM 0 HG2 PRO A 79 8.725 12.199 1.097 1.00 0.00 H new ATOM 0 HG3 PRO A 79 10.325 12.913 1.053 1.00 0.00 H new ATOM 0 HD2 PRO A 79 9.945 10.339 0.253 1.00 0.00 H new ATOM 0 HD3 PRO A 79 11.420 10.807 1.076 1.00 0.00 H new ATOM 1234 N SER A 80 7.225 9.939 2.496 1.00 0.00 N ATOM 1235 CA SER A 80 5.792 9.699 2.470 1.00 0.00 C ATOM 1236 C SER A 80 5.610 8.253 2.030 1.00 0.00 C ATOM 1237 O SER A 80 6.439 7.698 1.303 1.00 0.00 O ATOM 1238 CB SER A 80 5.094 10.698 1.534 1.00 0.00 C ATOM 1239 OG SER A 80 5.473 12.043 1.763 1.00 0.00 O ATOM 0 H SER A 80 7.701 9.599 1.660 1.00 0.00 H new ATOM 0 HA SER A 80 5.334 9.848 3.448 1.00 0.00 H new ATOM 0 HB2 SER A 80 5.321 10.435 0.501 1.00 0.00 H new ATOM 0 HB3 SER A 80 4.015 10.607 1.657 1.00 0.00 H new ATOM 0 HG SER A 80 4.997 12.628 1.137 1.00 0.00 H new ATOM 1245 N ILE A 81 4.533 7.637 2.501 1.00 0.00 N ATOM 1246 CA ILE A 81 4.100 6.329 2.040 1.00 0.00 C ATOM 1247 C ILE A 81 3.733 6.441 0.553 1.00 0.00 C ATOM 1248 O ILE A 81 4.248 5.646 -0.231 1.00 0.00 O ATOM 1249 CB ILE A 81 2.974 5.780 2.951 1.00 0.00 C ATOM 1250 CG1 ILE A 81 3.559 5.434 4.340 1.00 0.00 C ATOM 1251 CG2 ILE A 81 2.339 4.522 2.353 1.00 0.00 C ATOM 1252 CD1 ILE A 81 2.519 5.374 5.464 1.00 0.00 C ATOM 0 H ILE A 81 3.931 8.037 3.221 1.00 0.00 H new ATOM 0 HA ILE A 81 4.898 5.590 2.115 1.00 0.00 H new ATOM 0 HB ILE A 81 2.206 6.549 3.041 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.066 4.471 4.278 1.00 0.00 H new ATOM 0 HG13 ILE A 81 4.314 6.176 4.599 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.553 4.161 3.016 1.00 0.00 H new ATOM 0 HG22 ILE A 81 1.912 4.758 1.378 1.00 0.00 H new ATOM 0 HG23 ILE A 81 3.100 3.750 2.238 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.013 5.126 6.404 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.028 6.342 5.557 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.776 4.611 5.232 1.00 0.00 H new ATOM 1264 N PRO A 82 2.921 7.425 0.108 1.00 0.00 N ATOM 1265 CA PRO A 82 2.489 7.479 -1.285 1.00 0.00 C ATOM 1266 C PRO A 82 3.654 7.725 -2.254 1.00 0.00 C ATOM 1267 O PRO A 82 3.590 7.309 -3.411 1.00 0.00 O ATOM 1268 CB PRO A 82 1.420 8.574 -1.349 1.00 0.00 C ATOM 1269 CG PRO A 82 1.679 9.438 -0.126 1.00 0.00 C ATOM 1270 CD PRO A 82 2.239 8.453 0.880 1.00 0.00 C ATOM 0 HA PRO A 82 2.081 6.521 -1.607 1.00 0.00 H new ATOM 0 HB2 PRO A 82 1.502 9.154 -2.268 1.00 0.00 H new ATOM 0 HB3 PRO A 82 0.416 8.149 -1.328 1.00 0.00 H new ATOM 0 HG2 PRO A 82 2.386 10.240 -0.341 1.00 0.00 H new ATOM 0 HG3 PRO A 82 0.765 9.908 0.236 1.00 0.00 H new ATOM 0 HD2 PRO A 82 2.928 8.946 1.565 1.00 0.00 H new ATOM 0 HD3 PRO A 82 1.443 8.020 1.486 1.00 0.00 H new ATOM 1278 N LEU A 83 4.740 8.335 -1.776 1.00 0.00 N ATOM 1279 CA LEU A 83 5.969 8.497 -2.537 1.00 0.00 C ATOM 1280 C LEU A 83 6.650 7.154 -2.797 1.00 0.00 C ATOM 1281 O LEU A 83 7.169 6.932 -3.891 1.00 0.00 O ATOM 1282 CB LEU A 83 6.912 9.469 -1.805 1.00 0.00 C ATOM 1283 CG LEU A 83 6.736 10.924 -2.277 1.00 0.00 C ATOM 1284 CD1 LEU A 83 7.339 11.926 -1.290 1.00 0.00 C ATOM 1285 CD2 LEU A 83 7.452 11.134 -3.597 1.00 0.00 C ATOM 0 H LEU A 83 4.786 8.733 -0.838 1.00 0.00 H new ATOM 0 HA LEU A 83 5.718 8.919 -3.510 1.00 0.00 H new ATOM 0 HB2 LEU A 83 6.726 9.413 -0.732 1.00 0.00 H new ATOM 0 HB3 LEU A 83 7.945 9.160 -1.966 1.00 0.00 H new ATOM 0 HG LEU A 83 5.662 11.090 -2.366 1.00 0.00 H new ATOM 0 HD11 LEU A 83 7.191 12.939 -1.664 1.00 0.00 H new ATOM 0 HD12 LEU A 83 6.850 11.822 -0.321 1.00 0.00 H new ATOM 0 HD13 LEU A 83 8.406 11.732 -1.180 1.00 0.00 H new ATOM 0 HD21 LEU A 83 7.321 12.166 -3.922 1.00 0.00 H new ATOM 0 HD22 LEU A 83 8.514 10.925 -3.472 1.00 0.00 H new ATOM 0 HD23 LEU A 83 7.036 10.462 -4.348 1.00 0.00 H new ATOM 1297 N LEU A 84 6.673 6.257 -1.808 1.00 0.00 N ATOM 1298 CA LEU A 84 7.354 4.971 -1.930 1.00 0.00 C ATOM 1299 C LEU A 84 6.554 4.045 -2.840 1.00 0.00 C ATOM 1300 O LEU A 84 7.122 3.228 -3.562 1.00 0.00 O ATOM 1301 CB LEU A 84 7.480 4.321 -0.541 1.00 0.00 C ATOM 1302 CG LEU A 84 8.783 3.548 -0.244 1.00 0.00 C ATOM 1303 CD1 LEU A 84 8.544 2.614 0.947 1.00 0.00 C ATOM 1304 CD2 LEU A 84 9.360 2.722 -1.401 1.00 0.00 C ATOM 0 H LEU A 84 6.222 6.403 -0.905 1.00 0.00 H new ATOM 0 HA LEU A 84 8.345 5.133 -2.355 1.00 0.00 H new ATOM 0 HB2 LEU A 84 7.372 5.103 0.210 1.00 0.00 H new ATOM 0 HB3 LEU A 84 6.642 3.636 -0.411 1.00 0.00 H new ATOM 0 HG LEU A 84 9.526 4.319 -0.042 1.00 0.00 H new ATOM 0 HD11 LEU A 84 9.458 2.062 1.166 1.00 0.00 H new ATOM 0 HD12 LEU A 84 8.257 3.202 1.819 1.00 0.00 H new ATOM 0 HD13 LEU A 84 7.746 1.912 0.705 1.00 0.00 H new ATOM 0 HD21 LEU A 84 10.273 2.225 -1.073 1.00 0.00 H new ATOM 0 HD22 LEU A 84 8.631 1.974 -1.712 1.00 0.00 H new ATOM 0 HD23 LEU A 84 9.586 3.380 -2.240 1.00 0.00 H new ATOM 1316 N ILE A 85 5.226 4.177 -2.810 1.00 0.00 N ATOM 1317 CA ILE A 85 4.337 3.406 -3.660 1.00 0.00 C ATOM 1318 C ILE A 85 4.686 3.639 -5.113 1.00 0.00 C ATOM 1319 O ILE A 85 4.719 2.668 -5.852 1.00 0.00 O ATOM 1320 CB ILE A 85 2.857 3.697 -3.313 1.00 0.00 C ATOM 1321 CG1 ILE A 85 2.539 3.166 -1.901 1.00 0.00 C ATOM 1322 CG2 ILE A 85 1.854 3.134 -4.343 1.00 0.00 C ATOM 1323 CD1 ILE A 85 2.699 1.647 -1.748 1.00 0.00 C ATOM 0 H ILE A 85 4.742 4.827 -2.190 1.00 0.00 H new ATOM 0 HA ILE A 85 4.475 2.341 -3.476 1.00 0.00 H new ATOM 0 HB ILE A 85 2.736 4.780 -3.343 1.00 0.00 H new ATOM 0 HG12 ILE A 85 3.192 3.663 -1.183 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.516 3.440 -1.644 1.00 0.00 H new ATOM 0 HG21 ILE A 85 0.838 3.377 -4.032 1.00 0.00 H new ATOM 0 HG22 ILE A 85 2.050 3.575 -5.320 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.965 2.051 -4.405 1.00 0.00 H new ATOM 0 HD11 ILE A 85 2.456 1.357 -0.726 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.026 1.139 -2.439 1.00 0.00 H new ATOM 0 HD13 ILE A 85 3.728 1.365 -1.970 1.00 0.00 H new ATOM 1335 N ASP A 86 4.993 4.861 -5.538 1.00 0.00 N ATOM 1336 CA ASP A 86 5.290 5.097 -6.949 1.00 0.00 C ATOM 1337 C ASP A 86 6.575 4.408 -7.368 1.00 0.00 C ATOM 1338 O ASP A 86 6.653 3.867 -8.469 1.00 0.00 O ATOM 1339 CB ASP A 86 5.445 6.583 -7.192 1.00 0.00 C ATOM 1340 CG ASP A 86 5.860 6.885 -8.626 1.00 0.00 C ATOM 1341 OD1 ASP A 86 4.982 6.802 -9.515 1.00 0.00 O ATOM 1342 OD2 ASP A 86 7.031 7.284 -8.830 1.00 0.00 O ATOM 0 H ASP A 86 5.043 5.687 -4.942 1.00 0.00 H new ATOM 0 HA ASP A 86 4.464 4.692 -7.534 1.00 0.00 H new ATOM 0 HB2 ASP A 86 4.503 7.087 -6.973 1.00 0.00 H new ATOM 0 HB3 ASP A 86 6.190 6.987 -6.506 1.00 0.00 H new ATOM 1347 N HIS A 87 7.580 4.394 -6.489 1.00 0.00 N ATOM 1348 CA HIS A 87 8.822 3.711 -6.800 1.00 0.00 C ATOM 1349 C HIS A 87 8.603 2.197 -6.834 1.00 0.00 C ATOM 1350 O HIS A 87 9.447 1.496 -7.367 1.00 0.00 O ATOM 1351 CB HIS A 87 9.945 4.118 -5.837 1.00 0.00 C ATOM 1352 CG HIS A 87 11.313 3.573 -6.189 1.00 0.00 C ATOM 1353 ND1 HIS A 87 12.324 4.258 -6.827 1.00 0.00 N ATOM 1354 CD2 HIS A 87 11.772 2.307 -5.938 1.00 0.00 C ATOM 1355 CE1 HIS A 87 13.350 3.405 -6.994 1.00 0.00 C ATOM 1356 NE2 HIS A 87 13.052 2.191 -6.490 1.00 0.00 N ATOM 0 H HIS A 87 7.553 4.842 -5.573 1.00 0.00 H new ATOM 0 HA HIS A 87 9.146 4.019 -7.794 1.00 0.00 H new ATOM 0 HB2 HIS A 87 10.000 5.206 -5.805 1.00 0.00 H new ATOM 0 HB3 HIS A 87 9.683 3.783 -4.834 1.00 0.00 H new ATOM 0 HD1 HIS A 87 12.299 5.235 -7.120 1.00 0.00 H new ATOM 0 HD2 HIS A 87 11.238 1.533 -5.406 1.00 0.00 H new ATOM 0 HE1 HIS A 87 14.287 3.659 -7.468 1.00 0.00 H new ATOM 1364 N LEU A 88 7.489 1.646 -6.354 1.00 0.00 N ATOM 1365 CA LEU A 88 7.139 0.249 -6.562 1.00 0.00 C ATOM 1366 C LEU A 88 6.213 0.069 -7.757 1.00 0.00 C ATOM 1367 O LEU A 88 6.324 -0.918 -8.485 1.00 0.00 O ATOM 1368 CB LEU A 88 6.463 -0.246 -5.295 1.00 0.00 C ATOM 1369 CG LEU A 88 7.432 -0.504 -4.130 1.00 0.00 C ATOM 1370 CD1 LEU A 88 7.195 -1.944 -3.691 1.00 0.00 C ATOM 1371 CD2 LEU A 88 8.950 -0.327 -4.311 1.00 0.00 C ATOM 0 H LEU A 88 6.802 2.164 -5.806 1.00 0.00 H new ATOM 0 HA LEU A 88 8.041 -0.324 -6.775 1.00 0.00 H new ATOM 0 HB2 LEU A 88 5.721 0.488 -4.981 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.926 -1.168 -5.518 1.00 0.00 H new ATOM 0 HG LEU A 88 7.191 0.291 -3.424 1.00 0.00 H new ATOM 0 HD11 LEU A 88 7.859 -2.185 -2.861 1.00 0.00 H new ATOM 0 HD12 LEU A 88 6.159 -2.062 -3.373 1.00 0.00 H new ATOM 0 HD13 LEU A 88 7.397 -2.616 -4.525 1.00 0.00 H new ATOM 0 HD21 LEU A 88 9.457 -0.557 -3.374 1.00 0.00 H new ATOM 0 HD22 LEU A 88 9.305 -1.001 -5.091 1.00 0.00 H new ATOM 0 HD23 LEU A 88 9.165 0.703 -4.597 1.00 0.00 H new ATOM 1383 N LEU A 89 5.277 0.991 -7.950 1.00 0.00 N ATOM 1384 CA LEU A 89 4.205 0.862 -8.924 1.00 0.00 C ATOM 1385 C LEU A 89 4.739 1.154 -10.311 1.00 0.00 C ATOM 1386 O LEU A 89 4.424 0.453 -11.265 1.00 0.00 O ATOM 1387 CB LEU A 89 3.044 1.807 -8.568 1.00 0.00 C ATOM 1388 CG LEU A 89 1.685 1.140 -8.817 1.00 0.00 C ATOM 1389 CD1 LEU A 89 0.676 1.627 -7.787 1.00 0.00 C ATOM 1390 CD2 LEU A 89 1.095 1.334 -10.200 1.00 0.00 C ATOM 0 H LEU A 89 5.243 1.864 -7.423 1.00 0.00 H new ATOM 0 HA LEU A 89 3.823 -0.159 -8.907 1.00 0.00 H new ATOM 0 HB2 LEU A 89 3.120 2.102 -7.521 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.119 2.718 -9.162 1.00 0.00 H new ATOM 0 HG LEU A 89 1.886 0.072 -8.729 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -0.288 1.151 -7.968 1.00 0.00 H new ATOM 0 HD12 LEU A 89 1.025 1.371 -6.787 1.00 0.00 H new ATOM 0 HD13 LEU A 89 0.567 2.709 -7.868 1.00 0.00 H new ATOM 0 HD21 LEU A 89 0.136 0.820 -10.262 1.00 0.00 H new ATOM 0 HD22 LEU A 89 0.949 2.398 -10.387 1.00 0.00 H new ATOM 0 HD23 LEU A 89 1.775 0.924 -10.947 1.00 0.00 H new ATOM 1402 N SER A 90 5.570 2.184 -10.434 1.00 0.00 N ATOM 1403 CA SER A 90 6.053 2.621 -11.726 1.00 0.00 C ATOM 1404 C SER A 90 7.316 1.855 -12.147 1.00 0.00 C ATOM 1405 O SER A 90 7.773 1.999 -13.282 1.00 0.00 O ATOM 1406 CB SER A 90 6.273 4.138 -11.695 1.00 0.00 C ATOM 1407 OG SER A 90 6.102 4.663 -12.994 1.00 0.00 O ATOM 0 H SER A 90 5.921 2.730 -9.647 1.00 0.00 H new ATOM 0 HA SER A 90 5.303 2.397 -12.485 1.00 0.00 H new ATOM 0 HB2 SER A 90 5.569 4.605 -11.007 1.00 0.00 H new ATOM 0 HB3 SER A 90 7.274 4.364 -11.328 1.00 0.00 H new ATOM 0 HG SER A 90 6.241 5.633 -12.976 1.00 0.00 H new ATOM 1413 N THR A 91 7.876 1.034 -11.254 1.00 0.00 N ATOM 1414 CA THR A 91 9.025 0.173 -11.519 1.00 0.00 C ATOM 1415 C THR A 91 8.563 -1.268 -11.714 1.00 0.00 C ATOM 1416 O THR A 91 9.137 -1.989 -12.531 1.00 0.00 O ATOM 1417 CB THR A 91 10.015 0.265 -10.352 1.00 0.00 C ATOM 1418 OG1 THR A 91 9.378 -0.231 -9.196 1.00 0.00 O ATOM 1419 CG2 THR A 91 10.497 1.696 -10.078 1.00 0.00 C ATOM 0 H THR A 91 7.529 0.950 -10.298 1.00 0.00 H new ATOM 0 HA THR A 91 9.522 0.503 -12.431 1.00 0.00 H new ATOM 0 HB THR A 91 10.895 -0.320 -10.619 1.00 0.00 H new ATOM 0 HG1 THR A 91 9.081 0.519 -8.639 1.00 0.00 H new ATOM 0 HG21 THR A 91 11.195 1.691 -9.241 1.00 0.00 H new ATOM 0 HG22 THR A 91 10.996 2.088 -10.964 1.00 0.00 H new ATOM 0 HG23 THR A 91 9.643 2.327 -9.834 1.00 0.00 H new ATOM 1427 N GLN A 92 7.479 -1.649 -11.026 1.00 0.00 N ATOM 1428 CA GLN A 92 7.018 -3.007 -10.823 1.00 0.00 C ATOM 1429 C GLN A 92 8.060 -3.790 -10.029 1.00 0.00 C ATOM 1430 O GLN A 92 8.719 -4.671 -10.577 1.00 0.00 O ATOM 1431 CB GLN A 92 6.599 -3.684 -12.146 1.00 0.00 C ATOM 1432 CG GLN A 92 5.586 -2.911 -12.995 1.00 0.00 C ATOM 1433 CD GLN A 92 4.177 -2.863 -12.426 1.00 0.00 C ATOM 1434 OE1 GLN A 92 3.217 -3.250 -13.087 1.00 0.00 O ATOM 1435 NE2 GLN A 92 3.987 -2.355 -11.229 1.00 0.00 N ATOM 0 H GLN A 92 6.871 -0.967 -10.573 1.00 0.00 H new ATOM 0 HA GLN A 92 6.106 -2.990 -10.227 1.00 0.00 H new ATOM 0 HB2 GLN A 92 7.494 -3.854 -12.745 1.00 0.00 H new ATOM 0 HB3 GLN A 92 6.180 -4.663 -11.915 1.00 0.00 H new ATOM 0 HG2 GLN A 92 5.945 -1.890 -13.123 1.00 0.00 H new ATOM 0 HG3 GLN A 92 5.546 -3.362 -13.987 1.00 0.00 H new ATOM 0 HE21 GLN A 92 4.784 -2.033 -10.679 1.00 0.00 H new ATOM 0 HE22 GLN A 92 3.043 -2.282 -10.850 1.00 0.00 H new ATOM 1444 N GLN A 93 8.161 -3.500 -8.726 1.00 0.00 N ATOM 1445 CA GLN A 93 9.110 -4.168 -7.843 1.00 0.00 C ATOM 1446 C GLN A 93 8.517 -4.953 -6.675 1.00 0.00 C ATOM 1447 O GLN A 93 7.415 -4.640 -6.220 1.00 0.00 O ATOM 1448 CB GLN A 93 10.085 -3.128 -7.268 1.00 0.00 C ATOM 1449 CG GLN A 93 11.320 -2.924 -8.133 1.00 0.00 C ATOM 1450 CD GLN A 93 12.206 -1.867 -7.512 1.00 0.00 C ATOM 1451 OE1 GLN A 93 13.234 -2.163 -6.919 1.00 0.00 O ATOM 1452 NE2 GLN A 93 11.798 -0.619 -7.586 1.00 0.00 N ATOM 0 H GLN A 93 7.587 -2.797 -8.261 1.00 0.00 H new ATOM 0 HA GLN A 93 9.593 -4.909 -8.480 1.00 0.00 H new ATOM 0 HB2 GLN A 93 9.566 -2.176 -7.156 1.00 0.00 H new ATOM 0 HB3 GLN A 93 10.395 -3.442 -6.271 1.00 0.00 H new ATOM 0 HG2 GLN A 93 11.868 -3.861 -8.229 1.00 0.00 H new ATOM 0 HG3 GLN A 93 11.026 -2.622 -9.138 1.00 0.00 H new ATOM 0 HE21 GLN A 93 10.938 -0.392 -8.085 1.00 0.00 H new ATOM 0 HE22 GLN A 93 12.342 0.122 -7.144 1.00 0.00 H new ATOM 1461 N PRO A 94 9.288 -5.929 -6.153 1.00 0.00 N ATOM 1462 CA PRO A 94 8.868 -6.847 -5.105 1.00 0.00 C ATOM 1463 C PRO A 94 8.933 -6.264 -3.696 1.00 0.00 C ATOM 1464 O PRO A 94 9.856 -5.534 -3.322 1.00 0.00 O ATOM 1465 CB PRO A 94 9.810 -8.054 -5.215 1.00 0.00 C ATOM 1466 CG PRO A 94 11.100 -7.407 -5.717 1.00 0.00 C ATOM 1467 CD PRO A 94 10.594 -6.332 -6.669 1.00 0.00 C ATOM 0 HA PRO A 94 7.818 -7.099 -5.251 1.00 0.00 H new ATOM 0 HB2 PRO A 94 9.950 -8.551 -4.255 1.00 0.00 H new ATOM 0 HB3 PRO A 94 9.433 -8.804 -5.910 1.00 0.00 H new ATOM 0 HG2 PRO A 94 11.683 -6.981 -4.900 1.00 0.00 H new ATOM 0 HG3 PRO A 94 11.742 -8.127 -6.225 1.00 0.00 H new ATOM 0 HD2 PRO A 94 11.280 -5.485 -6.703 1.00 0.00 H new ATOM 0 HD3 PRO A 94 10.512 -6.717 -7.686 1.00 0.00 H new ATOM 1475 N LEU A 95 8.006 -6.726 -2.858 1.00 0.00 N ATOM 1476 CA LEU A 95 7.950 -6.371 -1.443 1.00 0.00 C ATOM 1477 C LEU A 95 8.923 -7.162 -0.590 1.00 0.00 C ATOM 1478 O LEU A 95 9.429 -6.645 0.403 1.00 0.00 O ATOM 1479 CB LEU A 95 6.537 -6.619 -0.894 1.00 0.00 C ATOM 1480 CG LEU A 95 5.437 -5.782 -1.552 1.00 0.00 C ATOM 1481 CD1 LEU A 95 4.171 -5.885 -0.716 1.00 0.00 C ATOM 1482 CD2 LEU A 95 5.870 -4.331 -1.688 1.00 0.00 C ATOM 0 H LEU A 95 7.265 -7.364 -3.147 1.00 0.00 H new ATOM 0 HA LEU A 95 8.223 -5.317 -1.387 1.00 0.00 H new ATOM 0 HB2 LEU A 95 6.294 -7.674 -1.018 1.00 0.00 H new ATOM 0 HB3 LEU A 95 6.538 -6.416 0.177 1.00 0.00 H new ATOM 0 HG LEU A 95 5.245 -6.165 -2.554 1.00 0.00 H new ATOM 0 HD11 LEU A 95 3.381 -5.292 -1.177 1.00 0.00 H new ATOM 0 HD12 LEU A 95 3.856 -6.927 -0.659 1.00 0.00 H new ATOM 0 HD13 LEU A 95 4.367 -5.510 0.289 1.00 0.00 H new ATOM 0 HD21 LEU A 95 5.072 -3.756 -2.158 1.00 0.00 H new ATOM 0 HD22 LEU A 95 6.080 -3.920 -0.701 1.00 0.00 H new ATOM 0 HD23 LEU A 95 6.768 -4.275 -2.303 1.00 0.00 H new ATOM 1494 N THR A 96 9.121 -8.443 -0.886 1.00 0.00 N ATOM 1495 CA THR A 96 9.923 -9.297 -0.033 1.00 0.00 C ATOM 1496 C THR A 96 10.375 -10.501 -0.840 1.00 0.00 C ATOM 1497 O THR A 96 9.584 -11.063 -1.603 1.00 0.00 O ATOM 1498 CB THR A 96 9.107 -9.683 1.228 1.00 0.00 C ATOM 1499 OG1 THR A 96 9.868 -10.523 2.078 1.00 0.00 O ATOM 1500 CG2 THR A 96 7.731 -10.306 0.965 1.00 0.00 C ATOM 0 H THR A 96 8.736 -8.906 -1.709 1.00 0.00 H new ATOM 0 HA THR A 96 10.816 -8.780 0.318 1.00 0.00 H new ATOM 0 HB THR A 96 8.897 -8.731 1.716 1.00 0.00 H new ATOM 0 HG1 THR A 96 9.338 -10.755 2.869 1.00 0.00 H new ATOM 0 HG21 THR A 96 7.248 -10.537 1.915 1.00 0.00 H new ATOM 0 HG22 THR A 96 7.114 -9.603 0.406 1.00 0.00 H new ATOM 0 HG23 THR A 96 7.851 -11.222 0.387 1.00 0.00 H new ATOM 1508 N LYS A 97 11.595 -10.973 -0.567 1.00 0.00 N ATOM 1509 CA LYS A 97 12.080 -12.276 -1.016 1.00 0.00 C ATOM 1510 C LYS A 97 11.111 -13.397 -0.625 1.00 0.00 C ATOM 1511 O LYS A 97 11.060 -14.422 -1.303 1.00 0.00 O ATOM 1512 CB LYS A 97 13.505 -12.517 -0.473 1.00 0.00 C ATOM 1513 CG LYS A 97 14.533 -12.840 -1.569 1.00 0.00 C ATOM 1514 CD LYS A 97 14.860 -11.633 -2.466 1.00 0.00 C ATOM 1515 CE LYS A 97 15.888 -12.032 -3.532 1.00 0.00 C ATOM 1516 NZ LYS A 97 16.257 -10.899 -4.412 1.00 0.00 N ATOM 0 H LYS A 97 12.281 -10.452 -0.020 1.00 0.00 H new ATOM 0 HA LYS A 97 12.129 -12.281 -2.105 1.00 0.00 H new ATOM 0 HB2 LYS A 97 13.832 -11.631 0.071 1.00 0.00 H new ATOM 0 HB3 LYS A 97 13.478 -13.339 0.242 1.00 0.00 H new ATOM 0 HG2 LYS A 97 15.451 -13.198 -1.103 1.00 0.00 H new ATOM 0 HG3 LYS A 97 14.152 -13.652 -2.188 1.00 0.00 H new ATOM 0 HD2 LYS A 97 13.951 -11.269 -2.945 1.00 0.00 H new ATOM 0 HD3 LYS A 97 15.251 -10.815 -1.861 1.00 0.00 H new ATOM 0 HE2 LYS A 97 16.784 -12.416 -3.044 1.00 0.00 H new ATOM 0 HE3 LYS A 97 15.483 -12.842 -4.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 16.954 -11.218 -5.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 15.408 -10.548 -4.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 16.669 -10.134 -3.839 1.00 0.00 H new ATOM 1530 N LYS A 98 10.298 -13.218 0.425 1.00 0.00 N ATOM 1531 CA LYS A 98 9.354 -14.238 0.869 1.00 0.00 C ATOM 1532 C LYS A 98 8.144 -14.437 -0.037 1.00 0.00 C ATOM 1533 O LYS A 98 7.438 -15.420 0.181 1.00 0.00 O ATOM 1534 CB LYS A 98 8.892 -13.951 2.312 1.00 0.00 C ATOM 1535 CG LYS A 98 10.004 -14.283 3.312 1.00 0.00 C ATOM 1536 CD LYS A 98 10.226 -15.803 3.424 1.00 0.00 C ATOM 1537 CE LYS A 98 11.710 -16.176 3.397 1.00 0.00 C ATOM 1538 NZ LYS A 98 12.441 -15.626 4.558 1.00 0.00 N ATOM 0 H LYS A 98 10.280 -12.365 0.984 1.00 0.00 H new ATOM 0 HA LYS A 98 9.908 -15.175 0.823 1.00 0.00 H new ATOM 0 HB2 LYS A 98 8.611 -12.902 2.408 1.00 0.00 H new ATOM 0 HB3 LYS A 98 8.004 -14.541 2.539 1.00 0.00 H new ATOM 0 HG2 LYS A 98 10.931 -13.801 3.001 1.00 0.00 H new ATOM 0 HG3 LYS A 98 9.747 -13.878 4.291 1.00 0.00 H new ATOM 0 HD2 LYS A 98 9.779 -16.166 4.349 1.00 0.00 H new ATOM 0 HD3 LYS A 98 9.712 -16.305 2.604 1.00 0.00 H new ATOM 0 HE2 LYS A 98 11.811 -17.261 3.386 1.00 0.00 H new ATOM 0 HE3 LYS A 98 12.160 -15.805 2.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 13.435 -15.930 4.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 12.396 -14.587 4.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 12.007 -15.973 5.437 1.00 0.00 H new ATOM 1552 N SER A 99 7.839 -13.548 -0.987 1.00 0.00 N ATOM 1553 CA SER A 99 6.653 -13.745 -1.824 1.00 0.00 C ATOM 1554 C SER A 99 6.686 -12.965 -3.148 1.00 0.00 C ATOM 1555 O SER A 99 5.780 -13.125 -3.959 1.00 0.00 O ATOM 1556 CB SER A 99 5.406 -13.387 -0.991 1.00 0.00 C ATOM 1557 OG SER A 99 4.186 -13.807 -1.580 1.00 0.00 O ATOM 0 H SER A 99 8.380 -12.708 -1.192 1.00 0.00 H new ATOM 0 HA SER A 99 6.626 -14.793 -2.124 1.00 0.00 H new ATOM 0 HB2 SER A 99 5.497 -13.840 -0.004 1.00 0.00 H new ATOM 0 HB3 SER A 99 5.376 -12.307 -0.845 1.00 0.00 H new ATOM 0 HG SER A 99 4.242 -13.709 -2.554 1.00 0.00 H new ATOM 1563 N GLY A 100 7.667 -12.087 -3.376 1.00 0.00 N ATOM 1564 CA GLY A 100 7.888 -11.386 -4.637 1.00 0.00 C ATOM 1565 C GLY A 100 6.823 -10.374 -5.070 1.00 0.00 C ATOM 1566 O GLY A 100 7.021 -9.739 -6.100 1.00 0.00 O ATOM 0 H GLY A 100 8.351 -11.839 -2.661 1.00 0.00 H new ATOM 0 HA2 GLY A 100 8.843 -10.864 -4.571 1.00 0.00 H new ATOM 0 HA3 GLY A 100 7.986 -12.132 -5.426 1.00 0.00 H new ATOM 1570 N VAL A 101 5.765 -10.171 -4.280 1.00 0.00 N ATOM 1571 CA VAL A 101 4.596 -9.324 -4.505 1.00 0.00 C ATOM 1572 C VAL A 101 4.913 -8.028 -5.259 1.00 0.00 C ATOM 1573 O VAL A 101 5.655 -7.212 -4.708 1.00 0.00 O ATOM 1574 CB VAL A 101 4.015 -9.014 -3.112 1.00 0.00 C ATOM 1575 CG1 VAL A 101 2.754 -8.152 -3.143 1.00 0.00 C ATOM 1576 CG2 VAL A 101 3.787 -10.278 -2.272 1.00 0.00 C ATOM 0 H VAL A 101 5.702 -10.644 -3.378 1.00 0.00 H new ATOM 0 HA VAL A 101 3.886 -9.850 -5.143 1.00 0.00 H new ATOM 0 HB VAL A 101 4.787 -8.418 -2.624 1.00 0.00 H new ATOM 0 HG11 VAL A 101 2.407 -7.978 -2.124 1.00 0.00 H new ATOM 0 HG12 VAL A 101 2.978 -7.197 -3.618 1.00 0.00 H new ATOM 0 HG13 VAL A 101 1.976 -8.665 -3.709 1.00 0.00 H new ATOM 0 HG21 VAL A 101 3.377 -10.000 -1.301 1.00 0.00 H new ATOM 0 HG22 VAL A 101 3.087 -10.936 -2.787 1.00 0.00 H new ATOM 0 HG23 VAL A 101 4.735 -10.797 -2.131 1.00 0.00 H new ATOM 1586 N VAL A 102 4.322 -7.792 -6.438 1.00 0.00 N ATOM 1587 CA VAL A 102 4.457 -6.520 -7.154 1.00 0.00 C ATOM 1588 C VAL A 102 3.114 -5.774 -7.172 1.00 0.00 C ATOM 1589 O VAL A 102 2.079 -6.353 -7.501 1.00 0.00 O ATOM 1590 CB VAL A 102 5.140 -6.678 -8.534 1.00 0.00 C ATOM 1591 CG1 VAL A 102 5.403 -5.306 -9.117 1.00 0.00 C ATOM 1592 CG2 VAL A 102 6.441 -7.484 -8.439 1.00 0.00 C ATOM 0 H VAL A 102 3.739 -8.476 -6.920 1.00 0.00 H new ATOM 0 HA VAL A 102 5.150 -5.881 -6.607 1.00 0.00 H new ATOM 0 HB VAL A 102 4.470 -7.235 -9.189 1.00 0.00 H new ATOM 0 HG11 VAL A 102 5.884 -5.410 -10.089 1.00 0.00 H new ATOM 0 HG12 VAL A 102 4.459 -4.773 -9.234 1.00 0.00 H new ATOM 0 HG13 VAL A 102 6.055 -4.745 -8.448 1.00 0.00 H new ATOM 0 HG21 VAL A 102 6.888 -7.571 -9.429 1.00 0.00 H new ATOM 0 HG22 VAL A 102 7.136 -6.976 -7.771 1.00 0.00 H new ATOM 0 HG23 VAL A 102 6.225 -8.479 -8.049 1.00 0.00 H new ATOM 1602 N LEU A 103 3.134 -4.488 -6.795 1.00 0.00 N ATOM 1603 CA LEU A 103 1.986 -3.587 -6.886 1.00 0.00 C ATOM 1604 C LEU A 103 1.563 -3.479 -8.346 1.00 0.00 C ATOM 1605 O LEU A 103 2.419 -3.365 -9.218 1.00 0.00 O ATOM 1606 CB LEU A 103 2.320 -2.169 -6.387 1.00 0.00 C ATOM 1607 CG LEU A 103 2.902 -2.039 -4.970 1.00 0.00 C ATOM 1608 CD1 LEU A 103 2.891 -0.566 -4.567 1.00 0.00 C ATOM 1609 CD2 LEU A 103 2.146 -2.851 -3.909 1.00 0.00 C ATOM 0 H LEU A 103 3.966 -4.040 -6.411 1.00 0.00 H new ATOM 0 HA LEU A 103 1.193 -3.998 -6.260 1.00 0.00 H new ATOM 0 HB2 LEU A 103 3.029 -1.724 -7.085 1.00 0.00 H new ATOM 0 HB3 LEU A 103 1.409 -1.572 -6.434 1.00 0.00 H new ATOM 0 HG LEU A 103 3.914 -2.443 -5.008 1.00 0.00 H new ATOM 0 HD11 LEU A 103 3.302 -0.460 -3.563 1.00 0.00 H new ATOM 0 HD12 LEU A 103 3.496 0.008 -5.269 1.00 0.00 H new ATOM 0 HD13 LEU A 103 1.867 -0.193 -4.581 1.00 0.00 H new ATOM 0 HD21 LEU A 103 2.617 -2.707 -2.937 1.00 0.00 H new ATOM 0 HD22 LEU A 103 1.110 -2.515 -3.864 1.00 0.00 H new ATOM 0 HD23 LEU A 103 2.173 -3.908 -4.172 1.00 0.00 H new ATOM 1621 N HIS A 104 0.263 -3.462 -8.626 1.00 0.00 N ATOM 1622 CA HIS A 104 -0.228 -3.468 -10.005 1.00 0.00 C ATOM 1623 C HIS A 104 -1.527 -2.677 -10.144 1.00 0.00 C ATOM 1624 O HIS A 104 -1.746 -2.044 -11.184 1.00 0.00 O ATOM 1625 CB HIS A 104 -0.463 -4.917 -10.466 1.00 0.00 C ATOM 1626 CG HIS A 104 0.713 -5.640 -11.082 1.00 0.00 C ATOM 1627 ND1 HIS A 104 1.500 -5.201 -12.119 1.00 0.00 N ATOM 1628 CD2 HIS A 104 1.126 -6.910 -10.776 1.00 0.00 C ATOM 1629 CE1 HIS A 104 2.383 -6.168 -12.406 1.00 0.00 C ATOM 1630 NE2 HIS A 104 2.187 -7.243 -11.628 1.00 0.00 N ATOM 0 H HIS A 104 -0.471 -3.444 -7.918 1.00 0.00 H new ATOM 0 HA HIS A 104 0.528 -2.993 -10.630 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -0.804 -5.495 -9.607 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -1.277 -4.914 -11.191 1.00 0.00 H new ATOM 0 HD1 HIS A 104 1.426 -4.298 -12.588 1.00 0.00 H new ATOM 0 HD2 HIS A 104 0.706 -7.545 -10.010 1.00 0.00 H new ATOM 0 HE1 HIS A 104 3.150 -6.092 -13.163 1.00 0.00 H new ATOM 1638 N ARG A 105 -2.395 -2.717 -9.131 1.00 0.00 N ATOM 1639 CA ARG A 105 -3.705 -2.095 -9.180 1.00 0.00 C ATOM 1640 C ARG A 105 -4.051 -1.523 -7.814 1.00 0.00 C ATOM 1641 O ARG A 105 -3.723 -2.130 -6.805 1.00 0.00 O ATOM 1642 CB ARG A 105 -4.728 -3.161 -9.611 1.00 0.00 C ATOM 1643 CG ARG A 105 -5.931 -2.499 -10.271 1.00 0.00 C ATOM 1644 CD ARG A 105 -5.620 -2.220 -11.737 1.00 0.00 C ATOM 1645 NE ARG A 105 -6.469 -1.162 -12.296 1.00 0.00 N ATOM 1646 CZ ARG A 105 -6.774 -1.048 -13.591 1.00 0.00 C ATOM 1647 NH1 ARG A 105 -6.288 -1.914 -14.483 1.00 0.00 N ATOM 1648 NH2 ARG A 105 -7.570 -0.061 -13.988 1.00 0.00 N ATOM 0 H ARG A 105 -2.199 -3.189 -8.248 1.00 0.00 H new ATOM 0 HA ARG A 105 -3.717 -1.275 -9.898 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -4.263 -3.862 -10.305 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -5.051 -3.737 -8.744 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -6.804 -3.146 -10.191 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -6.175 -1.569 -9.757 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -4.573 -1.932 -11.835 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -5.755 -3.134 -12.315 1.00 0.00 H new ATOM 0 HE ARG A 105 -6.851 -0.468 -11.653 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -5.677 -2.672 -14.178 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -6.527 -1.818 -15.470 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -7.942 0.600 -13.306 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -7.809 0.035 -14.975 1.00 0.00 H new ATOM 1662 N ALA A 106 -4.740 -0.395 -7.746 1.00 0.00 N ATOM 1663 CA ALA A 106 -5.155 0.198 -6.482 1.00 0.00 C ATOM 1664 C ALA A 106 -6.677 0.086 -6.370 1.00 0.00 C ATOM 1665 O ALA A 106 -7.371 0.151 -7.390 1.00 0.00 O ATOM 1666 CB ALA A 106 -4.644 1.639 -6.446 1.00 0.00 C ATOM 0 H ALA A 106 -5.028 0.137 -8.567 1.00 0.00 H new ATOM 0 HA ALA A 106 -4.735 -0.319 -5.619 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -4.942 2.107 -5.508 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -3.557 1.642 -6.524 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -5.069 2.197 -7.281 1.00 0.00 H new ATOM 1672 N VAL A 107 -7.205 -0.074 -5.155 1.00 0.00 N ATOM 1673 CA VAL A 107 -8.647 -0.055 -4.893 1.00 0.00 C ATOM 1674 C VAL A 107 -9.034 1.391 -4.534 1.00 0.00 C ATOM 1675 O VAL A 107 -8.601 1.882 -3.495 1.00 0.00 O ATOM 1676 CB VAL A 107 -9.038 -1.040 -3.765 1.00 0.00 C ATOM 1677 CG1 VAL A 107 -10.535 -1.372 -3.855 1.00 0.00 C ATOM 1678 CG2 VAL A 107 -8.265 -2.367 -3.780 1.00 0.00 C ATOM 0 H VAL A 107 -6.640 -0.222 -4.318 1.00 0.00 H new ATOM 0 HA VAL A 107 -9.190 -0.383 -5.779 1.00 0.00 H new ATOM 0 HB VAL A 107 -8.784 -0.524 -2.839 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -10.802 -2.066 -3.058 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -11.118 -0.457 -3.750 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -10.749 -1.829 -4.821 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -8.604 -2.995 -2.956 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -8.443 -2.881 -4.724 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -7.199 -2.168 -3.671 1.00 0.00 H new ATOM 1688 N PRO A 108 -9.811 2.108 -5.360 1.00 0.00 N ATOM 1689 CA PRO A 108 -10.170 3.501 -5.113 1.00 0.00 C ATOM 1690 C PRO A 108 -11.229 3.651 -4.016 1.00 0.00 C ATOM 1691 O PRO A 108 -12.385 3.263 -4.204 1.00 0.00 O ATOM 1692 CB PRO A 108 -10.653 4.034 -6.460 1.00 0.00 C ATOM 1693 CG PRO A 108 -11.222 2.783 -7.143 1.00 0.00 C ATOM 1694 CD PRO A 108 -10.367 1.644 -6.618 1.00 0.00 C ATOM 0 HA PRO A 108 -9.318 4.069 -4.738 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -11.411 4.808 -6.339 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -9.838 4.473 -7.036 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -12.273 2.638 -6.894 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -11.159 2.860 -8.228 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -10.964 0.743 -6.472 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -9.576 1.392 -7.325 1.00 0.00 H new ATOM 1702 N SER A 109 -10.843 4.171 -2.855 1.00 0.00 N ATOM 1703 CA SER A 109 -11.708 4.365 -1.684 1.00 0.00 C ATOM 1704 C SER A 109 -12.314 5.777 -1.666 1.00 0.00 C ATOM 1705 O SER A 109 -13.350 6.010 -1.038 1.00 0.00 O ATOM 1706 CB SER A 109 -10.878 4.125 -0.412 1.00 0.00 C ATOM 1707 OG SER A 109 -11.678 3.642 0.654 1.00 0.00 O ATOM 0 H SER A 109 -9.885 4.482 -2.692 1.00 0.00 H new ATOM 0 HA SER A 109 -12.534 3.655 -1.731 1.00 0.00 H new ATOM 0 HB2 SER A 109 -10.085 3.408 -0.625 1.00 0.00 H new ATOM 0 HB3 SER A 109 -10.395 5.055 -0.112 1.00 0.00 H new ATOM 0 HG SER A 109 -12.538 4.111 0.656 1.00 0.00 H new ATOM 1713 N GLY A 110 -11.696 6.721 -2.378 1.00 0.00 N ATOM 1714 CA GLY A 110 -11.915 8.147 -2.207 1.00 0.00 C ATOM 1715 C GLY A 110 -11.076 8.680 -1.039 1.00 0.00 C ATOM 1716 O GLY A 110 -10.670 7.910 -0.165 1.00 0.00 O ATOM 0 H GLY A 110 -11.014 6.504 -3.105 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -11.651 8.675 -3.124 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -12.972 8.340 -2.022 1.00 0.00 H new