USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 652 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 102 ASN : amide:sc= 3.14 K(o=3.1,f=-9.8!) USER MOD Set 1.2: A 108 SER OG : rot -44:sc= -0.0199 USER MOD Set 2.1: A 85 LYS NZ :NH3+ -143:sc= 1.19 (180deg=-0.00659) USER MOD Set 2.2: A 89 TYR OH : rot -94:sc= 2.29 USER MOD Set 3.1: A 76 LYS NZ :NH3+ 139:sc= 2.32 (180deg=-0.436) USER MOD Set 3.2: A 78 ASN : amide:sc= -2.64! C(o=-0.32!,f=-6.4!) USER MOD Set 4.1: A 52 SER OG : rot 23:sc= -0.371 USER MOD Set 4.2: A 59 MET CE :methyl -125:sc=-0.00356 (180deg=-0.481) USER MOD Set 5.1: A 56 ASN : amide:sc= -0.0756 K(o=-1.2,f=-2) USER MOD Set 5.2: A 103 ASN : amide:sc= -1.08 K(o=-1.2,f=-6.7!) USER MOD Set 6.1: A 24 THR OG1 : rot -59:sc= 0.647 USER MOD Set 6.2: A 109 ASN : amide:sc= 0.529 K(o=1.2,f=-1.1) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 1.02 K(o=1,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 CYS SG : rot -165:sc= -2.1! USER MOD Single : A 47 TYR OH : rot -63:sc= 1.27 USER MOD Single : A 51 HIS : +bothHN:sc= 1.27 K(o=1.3,f=-8.7!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= 0.522 K(o=0.52,f=-4.5!) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.0322 K(o=-0.032,f=-1.1) USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 LYS NZ :NH3+ -113:sc= 1.2 (180deg=-0.675) USER MOD Single : A 86 TYR OH : rot 120:sc= -2.01! USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 92:sc= 0.315 USER MOD Single : A 92 SER OG : rot 30:sc= 0.974 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 163:sc= 1.17 (180deg=1.06) USER MOD Single : A 101 LYS NZ :NH3+ 169:sc= 1.98 (180deg=1.63) USER MOD Single : A 104 SER OG : rot 180:sc= -0.559 USER MOD Single : A 105 SER OG : rot 180:sc= 0.118 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0.132 USER MOD Single : A 110 TYR OH : rot 180:sc=-0.00814 USER MOD Single : A 111 SER OG : rot 180:sc= -0.432 USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 91 N ALA A 19 -4.380 -7.909 -2.750 1.00 0.00 N ATOM 92 CA ALA A 19 -4.021 -9.165 -2.111 1.00 0.00 C ATOM 93 C ALA A 19 -2.797 -9.002 -1.213 1.00 0.00 C ATOM 94 O ALA A 19 -2.318 -7.886 -0.980 1.00 0.00 O ATOM 95 CB ALA A 19 -3.765 -10.227 -3.169 1.00 0.00 C ATOM 0 HA ALA A 19 -4.854 -9.478 -1.481 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.496 -11.166 -2.685 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.666 -10.371 -3.765 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.949 -9.906 -3.816 1.00 0.00 H new ATOM 101 N THR A 20 -2.354 -10.100 -0.622 1.00 0.00 N ATOM 102 CA THR A 20 -1.101 -10.093 0.104 1.00 0.00 C ATOM 103 C THR A 20 0.074 -10.041 -0.879 1.00 0.00 C ATOM 104 O THR A 20 0.410 -11.033 -1.529 1.00 0.00 O ATOM 105 CB THR A 20 -0.965 -11.331 1.014 1.00 0.00 C ATOM 106 OG1 THR A 20 -2.175 -11.526 1.761 1.00 0.00 O ATOM 107 CG2 THR A 20 0.208 -11.178 1.971 1.00 0.00 C ATOM 0 H THR A 20 -2.840 -10.997 -0.632 1.00 0.00 H new ATOM 0 HA THR A 20 -1.089 -9.206 0.738 1.00 0.00 H new ATOM 0 HB THR A 20 -0.784 -12.199 0.381 1.00 0.00 H new ATOM 0 HG1 THR A 20 -2.082 -12.315 2.335 1.00 0.00 H new ATOM 0 HG21 THR A 20 0.281 -12.064 2.601 1.00 0.00 H new ATOM 0 HG22 THR A 20 1.130 -11.061 1.401 1.00 0.00 H new ATOM 0 HG23 THR A 20 0.054 -10.299 2.597 1.00 0.00 H new ATOM 115 N TYR A 21 0.678 -8.868 -0.987 1.00 0.00 N ATOM 116 CA TYR A 21 1.743 -8.613 -1.946 1.00 0.00 C ATOM 117 C TYR A 21 3.095 -9.053 -1.409 1.00 0.00 C ATOM 118 O TYR A 21 3.651 -8.416 -0.523 1.00 0.00 O ATOM 119 CB TYR A 21 1.818 -7.119 -2.255 1.00 0.00 C ATOM 120 CG TYR A 21 0.869 -6.642 -3.324 1.00 0.00 C ATOM 121 CD1 TYR A 21 -0.147 -7.457 -3.809 1.00 0.00 C ATOM 122 CD2 TYR A 21 0.993 -5.365 -3.842 1.00 0.00 C ATOM 123 CE1 TYR A 21 -1.015 -7.008 -4.788 1.00 0.00 C ATOM 124 CE2 TYR A 21 0.131 -4.910 -4.819 1.00 0.00 C ATOM 125 CZ TYR A 21 -0.871 -5.732 -5.290 1.00 0.00 C ATOM 126 OH TYR A 21 -1.732 -5.272 -6.263 1.00 0.00 O ATOM 0 H TYR A 21 0.442 -8.061 -0.409 1.00 0.00 H new ATOM 0 HA TYR A 21 1.513 -9.183 -2.846 1.00 0.00 H new ATOM 0 HB2 TYR A 21 1.619 -6.563 -1.339 1.00 0.00 H new ATOM 0 HB3 TYR A 21 2.836 -6.877 -2.560 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -0.261 -8.456 -3.415 1.00 0.00 H new ATOM 0 HD2 TYR A 21 1.775 -4.716 -3.477 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.800 -7.652 -5.156 1.00 0.00 H new ATOM 0 HE2 TYR A 21 0.241 -3.911 -5.214 1.00 0.00 H new ATOM 0 HH TYR A 21 -1.492 -4.353 -6.504 1.00 0.00 H new ATOM 136 N THR A 22 3.634 -10.121 -1.948 1.00 0.00 N ATOM 137 CA THR A 22 4.979 -10.524 -1.600 1.00 0.00 C ATOM 138 C THR A 22 5.904 -10.309 -2.794 1.00 0.00 C ATOM 139 O THR A 22 6.058 -11.185 -3.646 1.00 0.00 O ATOM 140 CB THR A 22 5.020 -11.990 -1.150 1.00 0.00 C ATOM 141 OG1 THR A 22 3.891 -12.268 -0.307 1.00 0.00 O ATOM 142 CG2 THR A 22 6.312 -12.299 -0.407 1.00 0.00 C ATOM 0 H THR A 22 3.167 -10.724 -2.625 1.00 0.00 H new ATOM 0 HA THR A 22 5.318 -9.911 -0.765 1.00 0.00 H new ATOM 0 HB THR A 22 4.979 -12.624 -2.036 1.00 0.00 H new ATOM 0 HG1 THR A 22 3.918 -13.205 -0.022 1.00 0.00 H new ATOM 0 HG21 THR A 22 6.314 -13.345 -0.100 1.00 0.00 H new ATOM 0 HG22 THR A 22 7.162 -12.112 -1.063 1.00 0.00 H new ATOM 0 HG23 THR A 22 6.386 -11.662 0.474 1.00 0.00 H new ATOM 150 N GLY A 23 6.500 -9.127 -2.860 1.00 0.00 N ATOM 151 CA GLY A 23 7.310 -8.769 -4.003 1.00 0.00 C ATOM 152 C GLY A 23 8.669 -8.242 -3.604 1.00 0.00 C ATOM 153 O GLY A 23 8.877 -7.844 -2.457 1.00 0.00 O ATOM 0 H GLY A 23 6.436 -8.408 -2.139 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.436 -9.642 -4.644 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.789 -8.014 -4.592 1.00 0.00 H new ATOM 157 N THR A 24 9.588 -8.242 -4.548 1.00 0.00 N ATOM 158 CA THR A 24 10.935 -7.765 -4.302 1.00 0.00 C ATOM 159 C THR A 24 11.156 -6.410 -4.968 1.00 0.00 C ATOM 160 O THR A 24 11.193 -6.309 -6.192 1.00 0.00 O ATOM 161 CB THR A 24 11.972 -8.777 -4.822 1.00 0.00 C ATOM 162 OG1 THR A 24 11.354 -10.064 -4.977 1.00 0.00 O ATOM 163 CG2 THR A 24 13.149 -8.893 -3.866 1.00 0.00 C ATOM 0 H THR A 24 9.425 -8.570 -5.500 1.00 0.00 H new ATOM 0 HA THR A 24 11.061 -7.653 -3.225 1.00 0.00 H new ATOM 0 HB THR A 24 12.342 -8.424 -5.785 1.00 0.00 H new ATOM 0 HG1 THR A 24 10.994 -10.360 -4.115 1.00 0.00 H new ATOM 0 HG21 THR A 24 13.866 -9.614 -4.258 1.00 0.00 H new ATOM 0 HG22 THR A 24 13.631 -7.921 -3.763 1.00 0.00 H new ATOM 0 HG23 THR A 24 12.794 -9.227 -2.891 1.00 0.00 H new ATOM 171 N ILE A 25 11.284 -5.372 -4.156 1.00 0.00 N ATOM 172 CA ILE A 25 11.484 -4.024 -4.666 1.00 0.00 C ATOM 173 C ILE A 25 12.946 -3.821 -5.076 1.00 0.00 C ATOM 174 O ILE A 25 13.844 -4.498 -4.561 1.00 0.00 O ATOM 175 CB ILE A 25 11.046 -2.959 -3.628 1.00 0.00 C ATOM 176 CG1 ILE A 25 10.736 -1.618 -4.322 1.00 0.00 C ATOM 177 CG2 ILE A 25 12.088 -2.800 -2.527 1.00 0.00 C ATOM 178 CD1 ILE A 25 11.831 -0.573 -4.211 1.00 0.00 C ATOM 0 H ILE A 25 11.253 -5.437 -3.139 1.00 0.00 H new ATOM 0 HA ILE A 25 10.857 -3.899 -5.549 1.00 0.00 H new ATOM 0 HB ILE A 25 10.128 -3.304 -3.151 1.00 0.00 H new ATOM 0 HG12 ILE A 25 10.541 -1.808 -5.377 1.00 0.00 H new ATOM 0 HG13 ILE A 25 9.819 -1.209 -3.897 1.00 0.00 H new ATOM 0 HG21 ILE A 25 11.752 -2.046 -1.815 1.00 0.00 H new ATOM 0 HG22 ILE A 25 12.222 -3.752 -2.013 1.00 0.00 H new ATOM 0 HG23 ILE A 25 13.036 -2.488 -2.965 1.00 0.00 H new ATOM 0 HD11 ILE A 25 11.522 0.335 -4.729 1.00 0.00 H new ATOM 0 HD12 ILE A 25 12.013 -0.347 -3.160 1.00 0.00 H new ATOM 0 HD13 ILE A 25 12.746 -0.955 -4.664 1.00 0.00 H new ATOM 190 N GLN A 26 13.175 -2.895 -5.999 1.00 0.00 N ATOM 191 CA GLN A 26 14.501 -2.678 -6.562 1.00 0.00 C ATOM 192 C GLN A 26 15.427 -2.016 -5.550 1.00 0.00 C ATOM 193 O GLN A 26 14.998 -1.170 -4.770 1.00 0.00 O ATOM 194 CB GLN A 26 14.393 -1.815 -7.820 1.00 0.00 C ATOM 195 CG GLN A 26 15.705 -1.650 -8.565 1.00 0.00 C ATOM 196 CD GLN A 26 15.916 -0.232 -9.051 1.00 0.00 C ATOM 197 OE1 GLN A 26 15.417 0.149 -10.109 1.00 0.00 O ATOM 198 NE2 GLN A 26 16.647 0.561 -8.286 1.00 0.00 N ATOM 0 H GLN A 26 12.454 -2.279 -6.375 1.00 0.00 H new ATOM 0 HA GLN A 26 14.926 -3.647 -6.822 1.00 0.00 H new ATOM 0 HB2 GLN A 26 13.658 -2.259 -8.492 1.00 0.00 H new ATOM 0 HB3 GLN A 26 14.017 -0.830 -7.542 1.00 0.00 H new ATOM 0 HG2 GLN A 26 16.530 -1.934 -7.911 1.00 0.00 H new ATOM 0 HG3 GLN A 26 15.725 -2.330 -9.417 1.00 0.00 H new ATOM 0 HE21 GLN A 26 17.043 0.206 -7.416 1.00 0.00 H new ATOM 0 HE22 GLN A 26 16.815 1.527 -8.566 1.00 0.00 H new ATOM 207 N GLY A 27 16.694 -2.411 -5.569 1.00 0.00 N ATOM 208 CA GLY A 27 17.671 -1.834 -4.668 1.00 0.00 C ATOM 209 C GLY A 27 17.788 -0.331 -4.825 1.00 0.00 C ATOM 210 O GLY A 27 18.102 0.160 -5.912 1.00 0.00 O ATOM 0 H GLY A 27 17.063 -3.125 -6.197 1.00 0.00 H new ATOM 0 HA2 GLY A 27 17.395 -2.068 -3.640 1.00 0.00 H new ATOM 0 HA3 GLY A 27 18.643 -2.292 -4.850 1.00 0.00 H new ATOM 214 N LYS A 28 17.539 0.386 -3.731 1.00 0.00 N ATOM 215 CA LYS A 28 17.549 1.848 -3.720 1.00 0.00 C ATOM 216 C LYS A 28 16.549 2.411 -4.726 1.00 0.00 C ATOM 217 O LYS A 28 16.926 3.029 -5.726 1.00 0.00 O ATOM 218 CB LYS A 28 18.956 2.387 -4.004 1.00 0.00 C ATOM 219 CG LYS A 28 19.808 2.552 -2.755 1.00 0.00 C ATOM 220 CD LYS A 28 19.201 3.557 -1.788 1.00 0.00 C ATOM 221 CE LYS A 28 19.252 4.973 -2.341 1.00 0.00 C ATOM 222 NZ LYS A 28 19.658 5.965 -1.310 1.00 0.00 N ATOM 0 H LYS A 28 17.324 -0.031 -2.825 1.00 0.00 H new ATOM 0 HA LYS A 28 17.250 2.175 -2.724 1.00 0.00 H new ATOM 0 HB2 LYS A 28 19.463 1.711 -4.693 1.00 0.00 H new ATOM 0 HB3 LYS A 28 18.872 3.351 -4.507 1.00 0.00 H new ATOM 0 HG2 LYS A 28 19.915 1.588 -2.258 1.00 0.00 H new ATOM 0 HG3 LYS A 28 20.809 2.878 -3.038 1.00 0.00 H new ATOM 0 HD2 LYS A 28 18.166 3.284 -1.582 1.00 0.00 H new ATOM 0 HD3 LYS A 28 19.736 3.518 -0.839 1.00 0.00 H new ATOM 0 HE2 LYS A 28 19.953 5.010 -3.175 1.00 0.00 H new ATOM 0 HE3 LYS A 28 18.272 5.242 -2.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 19.679 6.915 -1.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 18.975 5.949 -0.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 20.604 5.725 -0.951 1.00 0.00 H new ATOM 236 N GLY A 29 15.271 2.201 -4.453 1.00 0.00 N ATOM 237 CA GLY A 29 14.235 2.656 -5.350 1.00 0.00 C ATOM 238 C GLY A 29 13.074 3.311 -4.627 1.00 0.00 C ATOM 239 O GLY A 29 13.008 3.302 -3.387 1.00 0.00 O ATOM 0 H GLY A 29 14.933 1.720 -3.620 1.00 0.00 H new ATOM 0 HA2 GLY A 29 14.661 3.365 -6.059 1.00 0.00 H new ATOM 0 HA3 GLY A 29 13.865 1.810 -5.929 1.00 0.00 H new ATOM 243 N GLU A 30 12.159 3.867 -5.414 1.00 0.00 N ATOM 244 CA GLU A 30 10.984 4.568 -4.902 1.00 0.00 C ATOM 245 C GLU A 30 9.794 4.309 -5.823 1.00 0.00 C ATOM 246 O GLU A 30 9.780 4.742 -6.976 1.00 0.00 O ATOM 247 CB GLU A 30 11.253 6.075 -4.803 1.00 0.00 C ATOM 248 CG GLU A 30 11.995 6.484 -3.540 1.00 0.00 C ATOM 249 CD GLU A 30 11.679 7.902 -3.106 1.00 0.00 C ATOM 250 OE1 GLU A 30 10.513 8.173 -2.747 1.00 0.00 O ATOM 251 OE2 GLU A 30 12.590 8.754 -3.119 1.00 0.00 O ATOM 0 H GLU A 30 12.211 3.844 -6.432 1.00 0.00 H new ATOM 0 HA GLU A 30 10.759 4.194 -3.903 1.00 0.00 H new ATOM 0 HB2 GLU A 30 11.832 6.389 -5.671 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.303 6.608 -4.844 1.00 0.00 H new ATOM 0 HG2 GLU A 30 11.738 5.796 -2.734 1.00 0.00 H new ATOM 0 HG3 GLU A 30 13.068 6.391 -3.708 1.00 0.00 H new ATOM 258 N VAL A 31 8.804 3.597 -5.306 1.00 0.00 N ATOM 259 CA VAL A 31 7.659 3.149 -6.103 1.00 0.00 C ATOM 260 C VAL A 31 6.421 3.073 -5.214 1.00 0.00 C ATOM 261 O VAL A 31 6.545 3.058 -3.992 1.00 0.00 O ATOM 262 CB VAL A 31 7.955 1.766 -6.790 1.00 0.00 C ATOM 263 CG1 VAL A 31 9.282 1.183 -6.316 1.00 0.00 C ATOM 264 CG2 VAL A 31 6.848 0.738 -6.565 1.00 0.00 C ATOM 0 H VAL A 31 8.766 3.312 -4.327 1.00 0.00 H new ATOM 0 HA VAL A 31 7.476 3.870 -6.900 1.00 0.00 H new ATOM 0 HB VAL A 31 8.006 1.976 -7.858 1.00 0.00 H new ATOM 0 HG11 VAL A 31 9.457 0.227 -6.810 1.00 0.00 H new ATOM 0 HG12 VAL A 31 10.090 1.871 -6.562 1.00 0.00 H new ATOM 0 HG13 VAL A 31 9.249 1.033 -5.237 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.111 -0.195 -7.064 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.731 0.558 -5.496 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.911 1.117 -6.974 1.00 0.00 H new ATOM 274 N CYS A 32 5.235 3.043 -5.813 1.00 0.00 N ATOM 275 CA CYS A 32 4.007 3.020 -5.032 1.00 0.00 C ATOM 276 C CYS A 32 3.848 1.683 -4.309 1.00 0.00 C ATOM 277 O CYS A 32 3.499 0.668 -4.914 1.00 0.00 O ATOM 278 CB CYS A 32 2.797 3.255 -5.942 1.00 0.00 C ATOM 279 SG CYS A 32 2.615 4.972 -6.523 1.00 0.00 S ATOM 0 H CYS A 32 5.100 3.034 -6.824 1.00 0.00 H new ATOM 0 HA CYS A 32 4.064 3.816 -4.290 1.00 0.00 H new ATOM 0 HB2 CYS A 32 2.876 2.598 -6.808 1.00 0.00 H new ATOM 0 HB3 CYS A 32 1.893 2.968 -5.405 1.00 0.00 H new ATOM 0 HG CYS A 32 1.424 5.139 -7.017 1.00 0.00 H new ATOM 284 N ILE A 33 4.116 1.715 -3.002 1.00 0.00 N ATOM 285 CA ILE A 33 3.933 0.582 -2.094 1.00 0.00 C ATOM 286 C ILE A 33 4.144 1.059 -0.658 1.00 0.00 C ATOM 287 O ILE A 33 4.322 2.245 -0.425 1.00 0.00 O ATOM 288 CB ILE A 33 4.863 -0.633 -2.362 1.00 0.00 C ATOM 289 CG1 ILE A 33 6.010 -0.285 -3.316 1.00 0.00 C ATOM 290 CG2 ILE A 33 4.050 -1.800 -2.905 1.00 0.00 C ATOM 291 CD1 ILE A 33 6.845 -1.478 -3.731 1.00 0.00 C ATOM 0 H ILE A 33 4.474 2.548 -2.535 1.00 0.00 H new ATOM 0 HA ILE A 33 2.918 0.224 -2.267 1.00 0.00 H new ATOM 0 HB ILE A 33 5.315 -0.919 -1.412 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.597 0.186 -4.208 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.657 0.451 -2.838 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.709 -2.648 -3.090 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.290 -2.084 -2.177 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.568 -1.505 -3.837 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.636 -1.151 -4.406 1.00 0.00 H new ATOM 0 HD12 ILE A 33 7.288 -1.937 -2.847 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.212 -2.206 -4.239 1.00 0.00 H new ATOM 476 N LEU A 46 -6.630 3.461 7.557 1.00 0.00 N ATOM 477 CA LEU A 46 -5.954 2.587 6.621 1.00 0.00 C ATOM 478 C LEU A 46 -5.398 1.320 7.287 1.00 0.00 C ATOM 479 O LEU A 46 -4.721 1.400 8.307 1.00 0.00 O ATOM 480 CB LEU A 46 -4.829 3.373 5.935 1.00 0.00 C ATOM 481 CG LEU A 46 -5.075 4.882 5.802 1.00 0.00 C ATOM 482 CD1 LEU A 46 -4.221 5.649 6.788 1.00 0.00 C ATOM 483 CD2 LEU A 46 -4.787 5.351 4.384 1.00 0.00 C ATOM 0 HA LEU A 46 -6.684 2.249 5.886 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.906 3.219 6.494 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -4.671 2.957 4.940 1.00 0.00 H new ATOM 0 HG LEU A 46 -6.124 5.075 6.025 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.409 6.717 6.679 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.470 5.339 7.803 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.168 5.444 6.594 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.968 6.423 4.312 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.747 5.141 4.135 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.440 4.825 3.687 1.00 0.00 H new ATOM 495 N TYR A 47 -5.693 0.145 6.700 1.00 0.00 N ATOM 496 CA TYR A 47 -5.007 -1.090 7.080 1.00 0.00 C ATOM 497 C TYR A 47 -4.452 -1.880 5.874 1.00 0.00 C ATOM 498 O TYR A 47 -5.186 -2.468 5.092 1.00 0.00 O ATOM 499 CB TYR A 47 -5.893 -2.016 7.935 1.00 0.00 C ATOM 500 CG TYR A 47 -5.654 -3.489 7.637 1.00 0.00 C ATOM 501 CD1 TYR A 47 -4.614 -4.179 8.242 1.00 0.00 C ATOM 502 CD2 TYR A 47 -6.437 -4.170 6.711 1.00 0.00 C ATOM 503 CE1 TYR A 47 -4.359 -5.500 7.934 1.00 0.00 C ATOM 504 CE2 TYR A 47 -6.185 -5.489 6.395 1.00 0.00 C ATOM 505 CZ TYR A 47 -5.145 -6.150 7.010 1.00 0.00 C ATOM 506 OH TYR A 47 -4.886 -7.466 6.690 1.00 0.00 O ATOM 0 H TYR A 47 -6.395 0.032 5.969 1.00 0.00 H new ATOM 0 HA TYR A 47 -4.160 -0.758 7.680 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -5.699 -1.826 8.991 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -6.941 -1.778 7.756 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -3.993 -3.674 8.967 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -7.257 -3.657 6.231 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -3.546 -6.022 8.416 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -6.800 -6.000 5.669 1.00 0.00 H new ATOM 0 HH TYR A 47 -4.000 -7.534 6.276 1.00 0.00 H new ATOM 516 N ALA A 48 -3.143 -1.833 5.729 1.00 0.00 N ATOM 517 CA ALA A 48 -2.394 -2.690 4.819 1.00 0.00 C ATOM 518 C ALA A 48 -1.074 -2.984 5.488 1.00 0.00 C ATOM 519 O ALA A 48 -0.148 -2.177 5.416 1.00 0.00 O ATOM 520 CB ALA A 48 -2.153 -2.011 3.474 1.00 0.00 C ATOM 0 H ALA A 48 -2.553 -1.185 6.250 1.00 0.00 H new ATOM 0 HA ALA A 48 -2.958 -3.601 4.617 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.592 -2.682 2.823 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.110 -1.772 3.010 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.585 -1.093 3.626 1.00 0.00 H new ATOM 526 N VAL A 49 -0.990 -4.103 6.177 1.00 0.00 N ATOM 527 CA VAL A 49 0.141 -4.322 7.053 1.00 0.00 C ATOM 528 C VAL A 49 1.311 -4.925 6.295 1.00 0.00 C ATOM 529 O VAL A 49 1.263 -6.063 5.824 1.00 0.00 O ATOM 530 CB VAL A 49 -0.231 -5.162 8.303 1.00 0.00 C ATOM 531 CG1 VAL A 49 -0.908 -6.465 7.928 1.00 0.00 C ATOM 532 CG2 VAL A 49 0.994 -5.417 9.167 1.00 0.00 C ATOM 0 H VAL A 49 -1.674 -4.859 6.150 1.00 0.00 H new ATOM 0 HA VAL A 49 0.452 -3.345 7.423 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.947 -4.581 8.883 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.151 -7.022 8.833 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.823 -6.254 7.375 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.237 -7.058 7.306 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.709 -6.008 10.037 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.741 -5.961 8.588 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.412 -4.465 9.495 1.00 0.00 H new ATOM 542 N LEU A 50 2.351 -4.124 6.136 1.00 0.00 N ATOM 543 CA LEU A 50 3.557 -4.587 5.492 1.00 0.00 C ATOM 544 C LEU A 50 4.418 -5.335 6.481 1.00 0.00 C ATOM 545 O LEU A 50 4.524 -4.936 7.639 1.00 0.00 O ATOM 546 CB LEU A 50 4.371 -3.431 4.908 1.00 0.00 C ATOM 547 CG LEU A 50 5.797 -3.822 4.504 1.00 0.00 C ATOM 548 CD1 LEU A 50 5.772 -4.727 3.290 1.00 0.00 C ATOM 549 CD2 LEU A 50 6.653 -2.603 4.235 1.00 0.00 C ATOM 0 H LEU A 50 2.380 -3.152 6.445 1.00 0.00 H new ATOM 0 HA LEU A 50 3.255 -5.245 4.677 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.851 -3.037 4.035 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.419 -2.626 5.641 1.00 0.00 H new ATOM 0 HG LEU A 50 6.242 -4.362 5.340 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.792 -4.996 3.016 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.208 -5.631 3.521 1.00 0.00 H new ATOM 0 HD13 LEU A 50 5.298 -4.207 2.458 1.00 0.00 H new ATOM 0 HD21 LEU A 50 7.657 -2.919 3.951 1.00 0.00 H new ATOM 0 HD22 LEU A 50 6.213 -2.021 3.425 1.00 0.00 H new ATOM 0 HD23 LEU A 50 6.706 -1.990 5.135 1.00 0.00 H new ATOM 561 N HIS A 51 5.002 -6.424 6.005 1.00 0.00 N ATOM 562 CA HIS A 51 6.009 -7.180 6.730 1.00 0.00 C ATOM 563 C HIS A 51 7.238 -7.300 5.836 1.00 0.00 C ATOM 564 O HIS A 51 7.186 -6.922 4.669 1.00 0.00 O ATOM 565 CB HIS A 51 5.495 -8.578 7.084 1.00 0.00 C ATOM 566 CG HIS A 51 4.015 -8.655 7.313 1.00 0.00 C ATOM 567 ND1 HIS A 51 3.419 -8.371 8.521 1.00 0.00 N ATOM 568 CD2 HIS A 51 3.008 -8.971 6.466 1.00 0.00 C ATOM 569 CE1 HIS A 51 2.113 -8.510 8.404 1.00 0.00 C ATOM 570 NE2 HIS A 51 1.834 -8.872 7.165 1.00 0.00 N ATOM 0 H HIS A 51 4.785 -6.813 5.088 1.00 0.00 H new ATOM 0 HA HIS A 51 6.251 -6.666 7.660 1.00 0.00 H new ATOM 0 HB2 HIS A 51 5.762 -9.264 6.280 1.00 0.00 H new ATOM 0 HB3 HIS A 51 6.008 -8.924 7.982 1.00 0.00 H new ATOM 0 HD1 HIS A 51 3.910 -8.096 9.372 1.00 0.00 H new ATOM 0 HD2 HIS A 51 3.111 -9.250 5.428 1.00 0.00 H new ATOM 0 HE1 HIS A 51 1.391 -8.354 9.191 1.00 0.00 H new ATOM 0 HE2 HIS A 51 0.901 -9.048 6.791 1.00 0.00 H new ATOM 579 N SER A 52 8.337 -7.820 6.349 1.00 0.00 N ATOM 580 CA SER A 52 9.526 -7.971 5.529 1.00 0.00 C ATOM 581 C SER A 52 10.419 -9.083 6.050 1.00 0.00 C ATOM 582 O SER A 52 10.507 -9.314 7.258 1.00 0.00 O ATOM 583 CB SER A 52 10.300 -6.653 5.467 1.00 0.00 C ATOM 584 OG SER A 52 9.712 -5.774 4.525 1.00 0.00 O ATOM 0 H SER A 52 8.433 -8.140 7.313 1.00 0.00 H new ATOM 0 HA SER A 52 9.206 -8.242 4.523 1.00 0.00 H new ATOM 0 HB2 SER A 52 10.312 -6.185 6.451 1.00 0.00 H new ATOM 0 HB3 SER A 52 11.337 -6.847 5.194 1.00 0.00 H new ATOM 0 HG SER A 52 8.775 -6.025 4.384 1.00 0.00 H new ATOM 590 N THR A 53 11.052 -9.788 5.126 1.00 0.00 N ATOM 591 CA THR A 53 11.996 -10.839 5.465 1.00 0.00 C ATOM 592 C THR A 53 13.133 -10.864 4.449 1.00 0.00 C ATOM 593 O THR A 53 13.194 -11.737 3.584 1.00 0.00 O ATOM 594 CB THR A 53 11.303 -12.215 5.515 1.00 0.00 C ATOM 595 OG1 THR A 53 9.877 -12.051 5.448 1.00 0.00 O ATOM 596 CG2 THR A 53 11.669 -12.959 6.789 1.00 0.00 C ATOM 0 H THR A 53 10.926 -9.648 4.124 1.00 0.00 H new ATOM 0 HA THR A 53 12.400 -10.627 6.455 1.00 0.00 H new ATOM 0 HB THR A 53 11.643 -12.798 4.659 1.00 0.00 H new ATOM 0 HG1 THR A 53 9.445 -12.930 5.479 1.00 0.00 H new ATOM 0 HG21 THR A 53 11.168 -13.927 6.802 1.00 0.00 H new ATOM 0 HG22 THR A 53 12.748 -13.108 6.826 1.00 0.00 H new ATOM 0 HG23 THR A 53 11.354 -12.376 7.654 1.00 0.00 H new ATOM 604 N ASN A 54 14.020 -9.884 4.549 1.00 0.00 N ATOM 605 CA ASN A 54 15.128 -9.745 3.612 1.00 0.00 C ATOM 606 C ASN A 54 16.338 -9.124 4.309 1.00 0.00 C ATOM 607 O ASN A 54 16.285 -8.843 5.508 1.00 0.00 O ATOM 608 CB ASN A 54 14.695 -8.909 2.393 1.00 0.00 C ATOM 609 CG ASN A 54 14.898 -7.414 2.571 1.00 0.00 C ATOM 610 OD1 ASN A 54 15.945 -6.871 2.219 1.00 0.00 O ATOM 611 ND2 ASN A 54 13.888 -6.734 3.089 1.00 0.00 N ATOM 0 H ASN A 54 13.994 -9.168 5.275 1.00 0.00 H new ATOM 0 HA ASN A 54 15.417 -10.734 3.256 1.00 0.00 H new ATOM 0 HB2 ASN A 54 15.256 -9.241 1.519 1.00 0.00 H new ATOM 0 HB3 ASN A 54 13.642 -9.101 2.188 1.00 0.00 H new ATOM 0 HD21 ASN A 54 13.961 -5.724 3.208 1.00 0.00 H new ATOM 0 HD22 ASN A 54 13.036 -7.220 3.369 1.00 0.00 H new ATOM 618 N VAL A 55 17.420 -8.927 3.554 1.00 0.00 N ATOM 619 CA VAL A 55 18.660 -8.349 4.084 1.00 0.00 C ATOM 620 C VAL A 55 18.386 -7.101 4.919 1.00 0.00 C ATOM 621 O VAL A 55 18.735 -7.040 6.098 1.00 0.00 O ATOM 622 CB VAL A 55 19.654 -7.971 2.959 1.00 0.00 C ATOM 623 CG1 VAL A 55 21.049 -8.471 3.291 1.00 0.00 C ATOM 624 CG2 VAL A 55 19.193 -8.505 1.606 1.00 0.00 C ATOM 0 H VAL A 55 17.464 -9.162 2.562 1.00 0.00 H new ATOM 0 HA VAL A 55 19.103 -9.123 4.711 1.00 0.00 H new ATOM 0 HB VAL A 55 19.684 -6.884 2.890 1.00 0.00 H new ATOM 0 HG11 VAL A 55 21.734 -8.196 2.489 1.00 0.00 H new ATOM 0 HG12 VAL A 55 21.384 -8.020 4.225 1.00 0.00 H new ATOM 0 HG13 VAL A 55 21.031 -9.556 3.397 1.00 0.00 H new ATOM 0 HG21 VAL A 55 19.913 -8.222 0.838 1.00 0.00 H new ATOM 0 HG22 VAL A 55 19.118 -9.592 1.650 1.00 0.00 H new ATOM 0 HG23 VAL A 55 18.218 -8.084 1.362 1.00 0.00 H new ATOM 634 N ASN A 56 17.749 -6.114 4.310 1.00 0.00 N ATOM 635 CA ASN A 56 17.427 -4.879 5.003 1.00 0.00 C ATOM 636 C ASN A 56 15.940 -4.592 4.904 1.00 0.00 C ATOM 637 O ASN A 56 15.437 -4.221 3.845 1.00 0.00 O ATOM 638 CB ASN A 56 18.230 -3.706 4.436 1.00 0.00 C ATOM 639 CG ASN A 56 19.137 -3.086 5.470 1.00 0.00 C ATOM 640 OD1 ASN A 56 19.677 -3.774 6.334 1.00 0.00 O ATOM 641 ND2 ASN A 56 19.305 -1.779 5.398 1.00 0.00 N ATOM 0 H ASN A 56 17.445 -6.145 3.337 1.00 0.00 H new ATOM 0 HA ASN A 56 17.695 -5.000 6.053 1.00 0.00 H new ATOM 0 HB2 ASN A 56 18.826 -4.050 3.591 1.00 0.00 H new ATOM 0 HB3 ASN A 56 17.545 -2.949 4.055 1.00 0.00 H new ATOM 0 HD21 ASN A 56 19.901 -1.303 6.075 1.00 0.00 H new ATOM 0 HD22 ASN A 56 18.839 -1.244 4.665 1.00 0.00 H new ATOM 648 N ALA A 57 15.236 -4.796 6.009 1.00 0.00 N ATOM 649 CA ALA A 57 13.823 -4.458 6.087 1.00 0.00 C ATOM 650 C ALA A 57 13.656 -2.957 6.282 1.00 0.00 C ATOM 651 O ALA A 57 12.541 -2.431 6.291 1.00 0.00 O ATOM 652 CB ALA A 57 13.155 -5.218 7.222 1.00 0.00 C ATOM 0 H ALA A 57 15.622 -5.195 6.865 1.00 0.00 H new ATOM 0 HA ALA A 57 13.342 -4.747 5.152 1.00 0.00 H new ATOM 0 HB1 ALA A 57 12.099 -4.953 7.265 1.00 0.00 H new ATOM 0 HB2 ALA A 57 13.253 -6.290 7.050 1.00 0.00 H new ATOM 0 HB3 ALA A 57 13.634 -4.957 8.166 1.00 0.00 H new ATOM 658 N ASP A 58 14.784 -2.281 6.462 1.00 0.00 N ATOM 659 CA ASP A 58 14.811 -0.836 6.600 1.00 0.00 C ATOM 660 C ASP A 58 14.298 -0.170 5.330 1.00 0.00 C ATOM 661 O ASP A 58 14.908 -0.261 4.263 1.00 0.00 O ATOM 662 CB ASP A 58 16.226 -0.359 6.923 1.00 0.00 C ATOM 663 CG ASP A 58 16.235 0.709 7.994 1.00 0.00 C ATOM 664 OD1 ASP A 58 16.251 0.354 9.194 1.00 0.00 O ATOM 665 OD2 ASP A 58 16.229 1.907 7.646 1.00 0.00 O ATOM 0 H ASP A 58 15.703 -2.721 6.516 1.00 0.00 H new ATOM 0 HA ASP A 58 14.156 -0.554 7.424 1.00 0.00 H new ATOM 0 HB2 ASP A 58 16.828 -1.206 7.251 1.00 0.00 H new ATOM 0 HB3 ASP A 58 16.692 0.031 6.018 1.00 0.00 H new ATOM 670 N MET A 59 13.171 0.501 5.468 1.00 0.00 N ATOM 671 CA MET A 59 12.453 1.079 4.347 1.00 0.00 C ATOM 672 C MET A 59 11.760 2.348 4.816 1.00 0.00 C ATOM 673 O MET A 59 11.999 2.799 5.933 1.00 0.00 O ATOM 674 CB MET A 59 11.422 0.076 3.812 1.00 0.00 C ATOM 675 CG MET A 59 11.573 -0.239 2.335 1.00 0.00 C ATOM 676 SD MET A 59 12.010 -1.963 2.034 1.00 0.00 S ATOM 677 CE MET A 59 10.496 -2.796 2.512 1.00 0.00 C ATOM 0 H MET A 59 12.723 0.662 6.370 1.00 0.00 H new ATOM 0 HA MET A 59 13.149 1.317 3.542 1.00 0.00 H new ATOM 0 HB2 MET A 59 11.503 -0.851 4.380 1.00 0.00 H new ATOM 0 HB3 MET A 59 10.421 0.471 3.988 1.00 0.00 H new ATOM 0 HG2 MET A 59 10.639 -0.010 1.821 1.00 0.00 H new ATOM 0 HG3 MET A 59 12.340 0.406 1.906 1.00 0.00 H new ATOM 0 HE1 MET A 59 10.718 -3.550 3.267 1.00 0.00 H new ATOM 0 HE2 MET A 59 9.794 -2.069 2.921 1.00 0.00 H new ATOM 0 HE3 MET A 59 10.053 -3.276 1.639 1.00 0.00 H new ATOM 687 N THR A 60 10.934 2.944 3.971 1.00 0.00 N ATOM 688 CA THR A 60 10.125 4.081 4.384 1.00 0.00 C ATOM 689 C THR A 60 8.693 3.960 3.862 1.00 0.00 C ATOM 690 O THR A 60 8.482 3.888 2.652 1.00 0.00 O ATOM 691 CB THR A 60 10.745 5.405 3.906 1.00 0.00 C ATOM 692 OG1 THR A 60 12.139 5.437 4.250 1.00 0.00 O ATOM 693 CG2 THR A 60 10.031 6.593 4.534 1.00 0.00 C ATOM 0 H THR A 60 10.806 2.662 2.999 1.00 0.00 H new ATOM 0 HA THR A 60 10.099 4.081 5.474 1.00 0.00 H new ATOM 0 HB THR A 60 10.634 5.470 2.824 1.00 0.00 H new ATOM 0 HG1 THR A 60 12.532 6.281 3.943 1.00 0.00 H new ATOM 0 HG21 THR A 60 10.486 7.519 4.182 1.00 0.00 H new ATOM 0 HG22 THR A 60 8.978 6.576 4.251 1.00 0.00 H new ATOM 0 HG23 THR A 60 10.116 6.537 5.619 1.00 0.00 H new ATOM 701 N LEU A 61 7.719 3.900 4.780 1.00 0.00 N ATOM 702 CA LEU A 61 6.311 3.874 4.405 1.00 0.00 C ATOM 703 C LEU A 61 5.782 5.286 4.389 1.00 0.00 C ATOM 704 O LEU A 61 5.573 5.881 5.444 1.00 0.00 O ATOM 705 CB LEU A 61 5.490 3.051 5.406 1.00 0.00 C ATOM 706 CG LEU A 61 4.363 2.195 4.821 1.00 0.00 C ATOM 707 CD1 LEU A 61 3.730 1.341 5.908 1.00 0.00 C ATOM 708 CD2 LEU A 61 3.306 3.050 4.137 1.00 0.00 C ATOM 0 H LEU A 61 7.887 3.869 5.786 1.00 0.00 H new ATOM 0 HA LEU A 61 6.223 3.416 3.420 1.00 0.00 H new ATOM 0 HB2 LEU A 61 6.171 2.395 5.949 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.056 3.735 6.136 1.00 0.00 H new ATOM 0 HG LEU A 61 4.801 1.543 4.065 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.931 0.738 5.478 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.485 0.686 6.342 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.320 1.986 6.685 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.523 2.407 3.734 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.873 3.741 4.860 1.00 0.00 H new ATOM 0 HD23 LEU A 61 3.764 3.615 3.326 1.00 0.00 H new ATOM 720 N ILE A 62 5.582 5.840 3.215 1.00 0.00 N ATOM 721 CA ILE A 62 5.026 7.169 3.138 1.00 0.00 C ATOM 722 C ILE A 62 3.668 7.143 2.444 1.00 0.00 C ATOM 723 O ILE A 62 3.489 6.485 1.419 1.00 0.00 O ATOM 724 CB ILE A 62 5.999 8.166 2.460 1.00 0.00 C ATOM 725 CG1 ILE A 62 5.490 9.599 2.612 1.00 0.00 C ATOM 726 CG2 ILE A 62 6.220 7.831 0.995 1.00 0.00 C ATOM 727 CD1 ILE A 62 6.251 10.403 3.644 1.00 0.00 C ATOM 0 H ILE A 62 5.791 5.401 2.318 1.00 0.00 H new ATOM 0 HA ILE A 62 4.877 7.527 4.157 1.00 0.00 H new ATOM 0 HB ILE A 62 6.961 8.079 2.964 1.00 0.00 H new ATOM 0 HG12 ILE A 62 5.556 10.104 1.648 1.00 0.00 H new ATOM 0 HG13 ILE A 62 4.436 9.575 2.887 1.00 0.00 H new ATOM 0 HG21 ILE A 62 6.908 8.554 0.556 1.00 0.00 H new ATOM 0 HG22 ILE A 62 6.643 6.830 0.910 1.00 0.00 H new ATOM 0 HG23 ILE A 62 5.268 7.869 0.465 1.00 0.00 H new ATOM 0 HD11 ILE A 62 5.836 11.410 3.699 1.00 0.00 H new ATOM 0 HD12 ILE A 62 6.164 9.921 4.618 1.00 0.00 H new ATOM 0 HD13 ILE A 62 7.302 10.459 3.360 1.00 0.00 H new ATOM 739 N LEU A 63 2.705 7.813 3.058 1.00 0.00 N ATOM 740 CA LEU A 63 1.356 7.910 2.527 1.00 0.00 C ATOM 741 C LEU A 63 1.227 9.199 1.732 1.00 0.00 C ATOM 742 O LEU A 63 1.616 10.271 2.207 1.00 0.00 O ATOM 743 CB LEU A 63 0.339 7.891 3.674 1.00 0.00 C ATOM 744 CG LEU A 63 -0.696 6.772 3.638 1.00 0.00 C ATOM 745 CD1 LEU A 63 -1.525 6.794 4.905 1.00 0.00 C ATOM 746 CD2 LEU A 63 -1.596 6.893 2.423 1.00 0.00 C ATOM 0 H LEU A 63 2.838 8.306 3.941 1.00 0.00 H new ATOM 0 HA LEU A 63 1.157 7.060 1.874 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.885 7.822 4.615 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.188 8.845 3.680 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.166 5.822 3.570 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.262 5.992 4.872 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.874 6.653 5.768 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.036 7.753 4.989 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.323 6.081 2.426 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.120 7.849 2.452 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.993 6.837 1.517 1.00 0.00 H new ATOM 758 N LEU A 64 0.701 9.092 0.525 1.00 0.00 N ATOM 759 CA LEU A 64 0.623 10.224 -0.378 1.00 0.00 C ATOM 760 C LEU A 64 -0.773 10.382 -0.931 1.00 0.00 C ATOM 761 O LEU A 64 -1.554 9.433 -0.981 1.00 0.00 O ATOM 762 CB LEU A 64 1.600 10.055 -1.545 1.00 0.00 C ATOM 763 CG LEU A 64 3.064 9.979 -1.146 1.00 0.00 C ATOM 764 CD1 LEU A 64 3.447 8.552 -0.819 1.00 0.00 C ATOM 765 CD2 LEU A 64 3.966 10.510 -2.238 1.00 0.00 C ATOM 0 H LEU A 64 0.319 8.225 0.146 1.00 0.00 H new ATOM 0 HA LEU A 64 0.886 11.114 0.194 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.339 9.148 -2.090 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.469 10.890 -2.234 1.00 0.00 H new ATOM 0 HG LEU A 64 3.195 10.603 -0.262 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.499 8.514 -0.535 1.00 0.00 H new ATOM 0 HD12 LEU A 64 2.835 8.191 0.007 1.00 0.00 H new ATOM 0 HD13 LEU A 64 3.284 7.922 -1.693 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.005 10.440 -1.917 1.00 0.00 H new ATOM 0 HD22 LEU A 64 3.825 9.921 -3.144 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.718 11.552 -2.440 1.00 0.00 H new ATOM 777 N ARG A 65 -1.073 11.588 -1.350 1.00 0.00 N ATOM 778 CA ARG A 65 -2.306 11.860 -2.062 1.00 0.00 C ATOM 779 C ARG A 65 -2.071 12.960 -3.080 1.00 0.00 C ATOM 780 O ARG A 65 -1.879 14.124 -2.730 1.00 0.00 O ATOM 781 CB ARG A 65 -3.442 12.243 -1.100 1.00 0.00 C ATOM 782 CG ARG A 65 -3.003 13.091 0.086 1.00 0.00 C ATOM 783 CD ARG A 65 -4.176 13.437 0.991 1.00 0.00 C ATOM 784 NE ARG A 65 -4.429 14.878 1.044 1.00 0.00 N ATOM 785 CZ ARG A 65 -5.490 15.434 1.635 1.00 0.00 C ATOM 786 NH1 ARG A 65 -6.416 14.670 2.205 1.00 0.00 N ATOM 787 NH2 ARG A 65 -5.621 16.756 1.656 1.00 0.00 N ATOM 0 H ARG A 65 -0.478 12.404 -1.211 1.00 0.00 H new ATOM 0 HA ARG A 65 -2.614 10.950 -2.578 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -4.205 12.786 -1.657 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -3.908 11.331 -0.726 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -2.247 12.553 0.658 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -2.537 14.008 -0.274 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -5.070 12.926 0.635 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -3.977 13.068 1.997 1.00 0.00 H new ATOM 0 HE ARG A 65 -3.751 15.498 0.601 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -6.318 13.655 2.192 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -7.225 15.099 2.655 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -4.912 17.346 1.221 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -6.431 17.181 2.107 1.00 0.00 H new ATOM 801 N ASN A 66 -2.040 12.567 -4.339 1.00 0.00 N ATOM 802 CA ASN A 66 -1.892 13.504 -5.436 1.00 0.00 C ATOM 803 C ASN A 66 -2.918 13.188 -6.503 1.00 0.00 C ATOM 804 O ASN A 66 -3.144 12.022 -6.822 1.00 0.00 O ATOM 805 CB ASN A 66 -0.476 13.446 -6.019 1.00 0.00 C ATOM 806 CG ASN A 66 -0.429 13.706 -7.518 1.00 0.00 C ATOM 807 OD1 ASN A 66 -0.605 14.836 -7.978 1.00 0.00 O ATOM 808 ND2 ASN A 66 -0.173 12.660 -8.290 1.00 0.00 N ATOM 0 H ASN A 66 -2.116 11.592 -4.630 1.00 0.00 H new ATOM 0 HA ASN A 66 -2.055 14.515 -5.063 1.00 0.00 H new ATOM 0 HB2 ASN A 66 0.149 14.180 -5.511 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -0.046 12.465 -5.814 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -0.116 12.775 -9.302 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -0.033 11.740 -7.872 1.00 0.00 H new ATOM 815 N VAL A 67 -3.540 14.209 -7.045 1.00 0.00 N ATOM 816 CA VAL A 67 -4.529 14.002 -8.079 1.00 0.00 C ATOM 817 C VAL A 67 -4.746 15.282 -8.878 1.00 0.00 C ATOM 818 O VAL A 67 -4.870 16.370 -8.311 1.00 0.00 O ATOM 819 CB VAL A 67 -5.855 13.490 -7.469 1.00 0.00 C ATOM 820 CG1 VAL A 67 -6.397 14.473 -6.442 1.00 0.00 C ATOM 821 CG2 VAL A 67 -6.889 13.204 -8.552 1.00 0.00 C ATOM 0 H VAL A 67 -3.381 15.184 -6.791 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.160 13.239 -8.764 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.644 12.551 -6.958 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.330 14.090 -6.028 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -5.669 14.600 -5.640 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -6.581 15.435 -6.921 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.809 12.846 -8.091 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -7.094 14.118 -9.110 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.504 12.443 -9.231 1.00 0.00 H new ATOM 831 N GLY A 68 -4.762 15.151 -10.195 1.00 0.00 N ATOM 832 CA GLY A 68 -4.904 16.305 -11.054 1.00 0.00 C ATOM 833 C GLY A 68 -3.812 16.363 -12.097 1.00 0.00 C ATOM 834 O GLY A 68 -4.085 16.467 -13.294 1.00 0.00 O ATOM 0 H GLY A 68 -4.679 14.261 -10.686 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -5.876 16.275 -11.546 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -4.880 17.213 -10.451 1.00 0.00 H new ATOM 838 N GLY A 69 -2.571 16.288 -11.638 1.00 0.00 N ATOM 839 CA GLY A 69 -1.441 16.315 -12.541 1.00 0.00 C ATOM 840 C GLY A 69 -0.273 17.088 -11.972 1.00 0.00 C ATOM 841 O GLY A 69 -0.137 18.290 -12.207 1.00 0.00 O ATOM 0 H GLY A 69 -2.327 16.209 -10.651 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -1.127 15.294 -12.758 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -1.745 16.763 -13.487 1.00 0.00 H new ATOM 845 N ASN A 70 0.563 16.397 -11.211 1.00 0.00 N ATOM 846 CA ASN A 70 1.740 17.008 -10.608 1.00 0.00 C ATOM 847 C ASN A 70 2.740 15.934 -10.200 1.00 0.00 C ATOM 848 O ASN A 70 3.844 15.855 -10.737 1.00 0.00 O ATOM 849 CB ASN A 70 1.348 17.847 -9.385 1.00 0.00 C ATOM 850 CG ASN A 70 2.546 18.251 -8.545 1.00 0.00 C ATOM 851 OD1 ASN A 70 3.460 18.920 -9.025 1.00 0.00 O ATOM 852 ND2 ASN A 70 2.550 17.843 -7.285 1.00 0.00 N ATOM 0 H ASN A 70 0.447 15.407 -10.995 1.00 0.00 H new ATOM 0 HA ASN A 70 2.202 17.663 -11.347 1.00 0.00 H new ATOM 0 HB2 ASN A 70 0.823 18.743 -9.717 1.00 0.00 H new ATOM 0 HB3 ASN A 70 0.651 17.279 -8.768 1.00 0.00 H new ATOM 0 HD21 ASN A 70 3.331 18.082 -6.674 1.00 0.00 H new ATOM 0 HD22 ASN A 70 1.772 17.290 -6.926 1.00 0.00 H new ATOM 859 N GLY A 71 2.329 15.093 -9.270 1.00 0.00 N ATOM 860 CA GLY A 71 3.200 14.060 -8.754 1.00 0.00 C ATOM 861 C GLY A 71 2.858 13.740 -7.323 1.00 0.00 C ATOM 862 O GLY A 71 2.500 14.640 -6.560 1.00 0.00 O ATOM 0 H GLY A 71 1.396 15.107 -8.858 1.00 0.00 H new ATOM 0 HA2 GLY A 71 3.108 13.162 -9.365 1.00 0.00 H new ATOM 0 HA3 GLY A 71 4.238 14.386 -8.821 1.00 0.00 H new ATOM 866 N TRP A 72 2.936 12.463 -6.970 1.00 0.00 N ATOM 867 CA TRP A 72 2.569 12.000 -5.634 1.00 0.00 C ATOM 868 C TRP A 72 3.226 12.851 -4.544 1.00 0.00 C ATOM 869 O TRP A 72 4.453 12.945 -4.468 1.00 0.00 O ATOM 870 CB TRP A 72 2.962 10.530 -5.462 1.00 0.00 C ATOM 871 CG TRP A 72 2.161 9.580 -6.303 1.00 0.00 C ATOM 872 CD1 TRP A 72 2.652 8.679 -7.207 1.00 0.00 C ATOM 873 CD2 TRP A 72 0.733 9.416 -6.307 1.00 0.00 C ATOM 874 NE1 TRP A 72 1.621 7.973 -7.776 1.00 0.00 N ATOM 875 CE2 TRP A 72 0.436 8.404 -7.241 1.00 0.00 C ATOM 876 CE3 TRP A 72 -0.322 10.023 -5.617 1.00 0.00 C ATOM 877 CZ2 TRP A 72 -0.867 7.985 -7.498 1.00 0.00 C ATOM 878 CZ3 TRP A 72 -1.614 9.604 -5.874 1.00 0.00 C ATOM 879 CH2 TRP A 72 -1.877 8.595 -6.806 1.00 0.00 C ATOM 0 H TRP A 72 3.253 11.722 -7.595 1.00 0.00 H new ATOM 0 HA TRP A 72 1.489 12.100 -5.530 1.00 0.00 H new ATOM 0 HB2 TRP A 72 4.018 10.416 -5.709 1.00 0.00 H new ATOM 0 HB3 TRP A 72 2.848 10.255 -4.413 1.00 0.00 H new ATOM 0 HD1 TRP A 72 3.698 8.543 -7.439 1.00 0.00 H new ATOM 0 HE1 TRP A 72 1.721 7.245 -8.483 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -0.130 10.805 -4.897 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -1.073 7.206 -8.218 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -2.436 10.064 -5.345 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -2.898 8.291 -6.983 1.00 0.00 H new ATOM 890 N GLY A 73 2.394 13.479 -3.712 1.00 0.00 N ATOM 891 CA GLY A 73 2.897 14.330 -2.647 1.00 0.00 C ATOM 892 C GLY A 73 2.872 13.641 -1.297 1.00 0.00 C ATOM 893 O GLY A 73 1.815 13.193 -0.845 1.00 0.00 O ATOM 0 H GLY A 73 1.377 13.412 -3.759 1.00 0.00 H new ATOM 0 HA2 GLY A 73 3.918 14.632 -2.879 1.00 0.00 H new ATOM 0 HA3 GLY A 73 2.298 15.240 -2.599 1.00 0.00 H new ATOM 897 N GLU A 74 4.033 13.575 -0.654 1.00 0.00 N ATOM 898 CA GLU A 74 4.196 12.845 0.604 1.00 0.00 C ATOM 899 C GLU A 74 3.634 13.636 1.786 1.00 0.00 C ATOM 900 O GLU A 74 3.578 14.869 1.743 1.00 0.00 O ATOM 901 CB GLU A 74 5.680 12.536 0.848 1.00 0.00 C ATOM 902 CG GLU A 74 6.556 12.656 -0.392 1.00 0.00 C ATOM 903 CD GLU A 74 7.849 11.864 -0.290 1.00 0.00 C ATOM 904 OE1 GLU A 74 8.557 11.993 0.733 1.00 0.00 O ATOM 905 OE2 GLU A 74 8.172 11.115 -1.236 1.00 0.00 O ATOM 0 H GLU A 74 4.887 14.024 -0.987 1.00 0.00 H new ATOM 0 HA GLU A 74 3.638 11.912 0.521 1.00 0.00 H new ATOM 0 HB2 GLU A 74 6.059 13.213 1.614 1.00 0.00 H new ATOM 0 HB3 GLU A 74 5.768 11.525 1.245 1.00 0.00 H new ATOM 0 HG2 GLU A 74 5.994 12.312 -1.261 1.00 0.00 H new ATOM 0 HG3 GLU A 74 6.793 13.706 -0.561 1.00 0.00 H new ATOM 912 N ILE A 75 3.213 12.924 2.836 1.00 0.00 N ATOM 913 CA ILE A 75 2.697 13.573 4.040 1.00 0.00 C ATOM 914 C ILE A 75 2.793 12.664 5.279 1.00 0.00 C ATOM 915 O ILE A 75 3.378 13.053 6.290 1.00 0.00 O ATOM 916 CB ILE A 75 1.235 14.067 3.847 1.00 0.00 C ATOM 917 CG1 ILE A 75 0.626 14.497 5.184 1.00 0.00 C ATOM 918 CG2 ILE A 75 0.371 13.002 3.183 1.00 0.00 C ATOM 919 CD1 ILE A 75 -0.576 15.408 5.041 1.00 0.00 C ATOM 0 H ILE A 75 3.220 11.905 2.875 1.00 0.00 H new ATOM 0 HA ILE A 75 3.333 14.441 4.213 1.00 0.00 H new ATOM 0 HB ILE A 75 1.264 14.933 3.186 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.333 13.608 5.742 1.00 0.00 H new ATOM 0 HG13 ILE A 75 1.389 15.006 5.773 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.644 13.380 3.063 1.00 0.00 H new ATOM 0 HG22 ILE A 75 0.784 12.756 2.205 1.00 0.00 H new ATOM 0 HG23 ILE A 75 0.354 12.107 3.805 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -0.953 15.671 6.029 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.284 16.315 4.511 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.357 14.895 4.479 1.00 0.00 H new ATOM 931 N LYS A 76 2.230 11.458 5.205 1.00 0.00 N ATOM 932 CA LYS A 76 2.171 10.573 6.372 1.00 0.00 C ATOM 933 C LYS A 76 3.256 9.502 6.308 1.00 0.00 C ATOM 934 O LYS A 76 3.647 9.080 5.227 1.00 0.00 O ATOM 935 CB LYS A 76 0.787 9.916 6.470 1.00 0.00 C ATOM 936 CG LYS A 76 0.487 9.305 7.834 1.00 0.00 C ATOM 937 CD LYS A 76 0.493 7.785 7.778 1.00 0.00 C ATOM 938 CE LYS A 76 -0.162 7.172 9.006 1.00 0.00 C ATOM 939 NZ LYS A 76 0.845 6.685 9.985 1.00 0.00 N ATOM 0 H LYS A 76 1.811 11.073 4.358 1.00 0.00 H new ATOM 0 HA LYS A 76 2.344 11.178 7.262 1.00 0.00 H new ATOM 0 HB2 LYS A 76 0.025 10.661 6.241 1.00 0.00 H new ATOM 0 HB3 LYS A 76 0.710 9.138 5.710 1.00 0.00 H new ATOM 0 HG2 LYS A 76 1.227 9.646 8.557 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -0.485 9.653 8.184 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -0.031 7.452 6.882 1.00 0.00 H new ATOM 0 HD3 LYS A 76 1.520 7.428 7.697 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -0.804 7.913 9.483 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -0.802 6.344 8.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 0.535 6.923 10.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 0.944 5.653 9.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 1.762 7.138 9.794 1.00 0.00 H new ATOM 953 N ARG A 77 3.726 9.057 7.469 1.00 0.00 N ATOM 954 CA ARG A 77 4.771 8.036 7.536 1.00 0.00 C ATOM 955 C ARG A 77 4.326 6.842 8.386 1.00 0.00 C ATOM 956 O ARG A 77 3.454 6.978 9.244 1.00 0.00 O ATOM 957 CB ARG A 77 6.055 8.634 8.115 1.00 0.00 C ATOM 958 CG ARG A 77 7.315 8.190 7.392 1.00 0.00 C ATOM 959 CD ARG A 77 8.563 8.574 8.168 1.00 0.00 C ATOM 960 NE ARG A 77 9.166 9.805 7.659 1.00 0.00 N ATOM 961 CZ ARG A 77 10.316 9.855 6.986 1.00 0.00 C ATOM 962 NH1 ARG A 77 11.024 8.750 6.787 1.00 0.00 N ATOM 963 NH2 ARG A 77 10.762 11.019 6.533 1.00 0.00 N ATOM 0 H ARG A 77 3.401 9.386 8.378 1.00 0.00 H new ATOM 0 HA ARG A 77 4.961 7.683 6.522 1.00 0.00 H new ATOM 0 HB2 ARG A 77 5.989 9.721 8.076 1.00 0.00 H new ATOM 0 HB3 ARG A 77 6.133 8.356 9.166 1.00 0.00 H new ATOM 0 HG2 ARG A 77 7.292 7.110 7.248 1.00 0.00 H new ATOM 0 HG3 ARG A 77 7.347 8.643 6.401 1.00 0.00 H new ATOM 0 HD2 ARG A 77 8.311 8.702 9.221 1.00 0.00 H new ATOM 0 HD3 ARG A 77 9.290 7.763 8.111 1.00 0.00 H new ATOM 0 HE ARG A 77 8.675 10.683 7.830 1.00 0.00 H new ATOM 0 HH11 ARG A 77 10.689 7.857 7.150 1.00 0.00 H new ATOM 0 HH12 ARG A 77 11.903 8.793 6.272 1.00 0.00 H new ATOM 0 HH21 ARG A 77 10.226 11.871 6.700 1.00 0.00 H new ATOM 0 HH22 ARG A 77 11.641 11.063 6.018 1.00 0.00 H new ATOM 977 N ASN A 78 4.912 5.677 8.116 1.00 0.00 N ATOM 978 CA ASN A 78 4.657 4.460 8.893 1.00 0.00 C ATOM 979 C ASN A 78 5.869 3.534 8.821 1.00 0.00 C ATOM 980 O ASN A 78 6.751 3.727 7.973 1.00 0.00 O ATOM 981 CB ASN A 78 3.425 3.723 8.362 1.00 0.00 C ATOM 982 CG ASN A 78 2.364 3.485 9.419 1.00 0.00 C ATOM 983 OD1 ASN A 78 2.110 4.329 10.276 1.00 0.00 O ATOM 984 ND2 ASN A 78 1.723 2.329 9.352 1.00 0.00 N ATOM 0 H ASN A 78 5.577 5.548 7.353 1.00 0.00 H new ATOM 0 HA ASN A 78 4.475 4.749 9.928 1.00 0.00 H new ATOM 0 HB2 ASN A 78 2.991 4.299 7.545 1.00 0.00 H new ATOM 0 HB3 ASN A 78 3.735 2.764 7.947 1.00 0.00 H new ATOM 0 HD21 ASN A 78 0.989 2.113 10.027 1.00 0.00 H new ATOM 0 HD22 ASN A 78 1.963 1.654 8.626 1.00 0.00 H new ATOM 991 N ASP A 79 5.902 2.523 9.688 1.00 0.00 N ATOM 992 CA ASP A 79 7.012 1.575 9.731 1.00 0.00 C ATOM 993 C ASP A 79 6.590 0.178 9.297 1.00 0.00 C ATOM 994 O ASP A 79 5.492 -0.024 8.776 1.00 0.00 O ATOM 995 CB ASP A 79 7.631 1.494 11.131 1.00 0.00 C ATOM 996 CG ASP A 79 6.634 1.208 12.239 1.00 0.00 C ATOM 997 OD1 ASP A 79 5.480 1.668 12.155 1.00 0.00 O ATOM 998 OD2 ASP A 79 7.016 0.533 13.222 1.00 0.00 O ATOM 0 H ASP A 79 5.169 2.340 10.373 1.00 0.00 H new ATOM 0 HA ASP A 79 7.755 1.952 9.028 1.00 0.00 H new ATOM 0 HB2 ASP A 79 8.393 0.715 11.134 1.00 0.00 H new ATOM 0 HB3 ASP A 79 8.137 2.435 11.347 1.00 0.00 H new ATOM 1003 N ILE A 80 7.483 -0.783 9.525 1.00 0.00 N ATOM 1004 CA ILE A 80 7.260 -2.166 9.132 1.00 0.00 C ATOM 1005 C ILE A 80 6.372 -2.889 10.137 1.00 0.00 C ATOM 1006 O ILE A 80 6.251 -2.474 11.292 1.00 0.00 O ATOM 1007 CB ILE A 80 8.598 -2.925 8.944 1.00 0.00 C ATOM 1008 CG1 ILE A 80 8.518 -3.838 7.723 1.00 0.00 C ATOM 1009 CG2 ILE A 80 8.980 -3.724 10.185 1.00 0.00 C ATOM 1010 CD1 ILE A 80 9.273 -3.303 6.527 1.00 0.00 C ATOM 0 H ILE A 80 8.378 -0.622 9.986 1.00 0.00 H new ATOM 0 HA ILE A 80 6.745 -2.150 8.172 1.00 0.00 H new ATOM 0 HB ILE A 80 9.380 -2.182 8.785 1.00 0.00 H new ATOM 0 HG12 ILE A 80 8.914 -4.819 7.985 1.00 0.00 H new ATOM 0 HG13 ILE A 80 7.472 -3.979 7.451 1.00 0.00 H new ATOM 0 HG21 ILE A 80 9.924 -4.240 10.009 1.00 0.00 H new ATOM 0 HG22 ILE A 80 9.088 -3.048 11.034 1.00 0.00 H new ATOM 0 HG23 ILE A 80 8.201 -4.456 10.401 1.00 0.00 H new ATOM 0 HD11 ILE A 80 9.176 -3.999 5.694 1.00 0.00 H new ATOM 0 HD12 ILE A 80 8.862 -2.335 6.241 1.00 0.00 H new ATOM 0 HD13 ILE A 80 10.326 -3.189 6.783 1.00 0.00 H new ATOM 1022 N ASP A 81 5.757 -3.970 9.675 1.00 0.00 N ATOM 1023 CA ASP A 81 4.766 -4.717 10.441 1.00 0.00 C ATOM 1024 C ASP A 81 3.668 -3.778 10.901 1.00 0.00 C ATOM 1025 O ASP A 81 3.163 -3.873 12.021 1.00 0.00 O ATOM 1026 CB ASP A 81 5.397 -5.469 11.612 1.00 0.00 C ATOM 1027 CG ASP A 81 5.546 -6.950 11.313 1.00 0.00 C ATOM 1028 OD1 ASP A 81 4.555 -7.588 10.884 1.00 0.00 O ATOM 1029 OD2 ASP A 81 6.662 -7.489 11.491 1.00 0.00 O ATOM 0 H ASP A 81 5.934 -4.357 8.748 1.00 0.00 H new ATOM 0 HA ASP A 81 4.328 -5.477 9.794 1.00 0.00 H new ATOM 0 HB2 ASP A 81 6.375 -5.042 11.834 1.00 0.00 H new ATOM 0 HB3 ASP A 81 4.782 -5.338 12.503 1.00 0.00 H new ATOM 1034 N LYS A 82 3.310 -2.865 10.006 1.00 0.00 N ATOM 1035 CA LYS A 82 2.291 -1.855 10.301 1.00 0.00 C ATOM 1036 C LYS A 82 1.298 -1.724 9.146 1.00 0.00 C ATOM 1037 O LYS A 82 1.682 -1.788 7.977 1.00 0.00 O ATOM 1038 CB LYS A 82 2.943 -0.503 10.596 1.00 0.00 C ATOM 1039 CG LYS A 82 3.014 -0.179 12.079 1.00 0.00 C ATOM 1040 CD LYS A 82 2.321 1.131 12.409 1.00 0.00 C ATOM 1041 CE LYS A 82 2.505 1.510 13.872 1.00 0.00 C ATOM 1042 NZ LYS A 82 3.874 2.019 14.155 1.00 0.00 N ATOM 0 H LYS A 82 3.708 -2.800 9.069 1.00 0.00 H new ATOM 0 HA LYS A 82 1.744 -2.179 11.186 1.00 0.00 H new ATOM 0 HB2 LYS A 82 3.951 -0.496 10.181 1.00 0.00 H new ATOM 0 HB3 LYS A 82 2.383 0.281 10.087 1.00 0.00 H new ATOM 0 HG2 LYS A 82 2.554 -0.986 12.649 1.00 0.00 H new ATOM 0 HG3 LYS A 82 4.058 -0.125 12.389 1.00 0.00 H new ATOM 0 HD2 LYS A 82 2.718 1.923 11.775 1.00 0.00 H new ATOM 0 HD3 LYS A 82 1.257 1.047 12.185 1.00 0.00 H new ATOM 0 HE2 LYS A 82 1.773 2.271 14.143 1.00 0.00 H new ATOM 0 HE3 LYS A 82 2.306 0.640 14.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 4.374 1.347 14.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 4.397 2.124 13.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 3.810 2.942 14.629 1.00 0.00 H new ATOM 1056 N PRO A 83 0.004 -1.550 9.470 1.00 0.00 N ATOM 1057 CA PRO A 83 -1.078 -1.548 8.492 1.00 0.00 C ATOM 1058 C PRO A 83 -1.479 -0.160 7.972 1.00 0.00 C ATOM 1059 O PRO A 83 -1.871 0.713 8.741 1.00 0.00 O ATOM 1060 CB PRO A 83 -2.220 -2.166 9.298 1.00 0.00 C ATOM 1061 CG PRO A 83 -1.968 -1.775 10.723 1.00 0.00 C ATOM 1062 CD PRO A 83 -0.515 -1.375 10.834 1.00 0.00 C ATOM 0 HA PRO A 83 -0.796 -2.076 7.581 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -3.186 -1.796 8.955 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -2.236 -3.250 9.186 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -2.616 -0.949 11.014 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -2.189 -2.605 11.393 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -0.409 -0.344 11.173 1.00 0.00 H new ATOM 0 HD3 PRO A 83 0.019 -2.002 11.548 1.00 0.00 H new ATOM 1070 N LEU A 84 -1.360 0.034 6.655 1.00 0.00 N ATOM 1071 CA LEU A 84 -1.847 1.253 5.994 1.00 0.00 C ATOM 1072 C LEU A 84 -2.603 0.945 4.683 1.00 0.00 C ATOM 1073 O LEU A 84 -1.973 0.889 3.637 1.00 0.00 O ATOM 1074 CB LEU A 84 -0.676 2.189 5.682 1.00 0.00 C ATOM 1075 CG LEU A 84 -0.236 3.115 6.819 1.00 0.00 C ATOM 1076 CD1 LEU A 84 0.615 4.250 6.273 1.00 0.00 C ATOM 1077 CD2 LEU A 84 -1.434 3.667 7.574 1.00 0.00 C ATOM 0 H LEU A 84 -0.929 -0.639 6.022 1.00 0.00 H new ATOM 0 HA LEU A 84 -2.542 1.731 6.684 1.00 0.00 H new ATOM 0 HB2 LEU A 84 0.179 1.582 5.383 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.947 2.804 4.823 1.00 0.00 H new ATOM 0 HG LEU A 84 0.361 2.531 7.519 1.00 0.00 H new ATOM 0 HD11 LEU A 84 0.921 4.901 7.092 1.00 0.00 H new ATOM 0 HD12 LEU A 84 1.499 3.840 5.785 1.00 0.00 H new ATOM 0 HD13 LEU A 84 0.035 4.824 5.550 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.089 4.321 8.375 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.066 4.233 6.890 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.007 2.843 7.999 1.00 0.00 H new ATOM 1089 N LYS A 85 -3.916 0.643 4.753 1.00 0.00 N ATOM 1090 CA LYS A 85 -4.811 0.602 3.569 1.00 0.00 C ATOM 1091 C LYS A 85 -6.193 1.176 3.876 1.00 0.00 C ATOM 1092 O LYS A 85 -7.006 0.518 4.520 1.00 0.00 O ATOM 1093 CB LYS A 85 -5.008 -0.801 3.002 1.00 0.00 C ATOM 1094 CG LYS A 85 -4.741 -0.930 1.519 1.00 0.00 C ATOM 1095 CD LYS A 85 -6.032 -0.993 0.721 1.00 0.00 C ATOM 1096 CE LYS A 85 -6.294 0.310 -0.012 1.00 0.00 C ATOM 1097 NZ LYS A 85 -5.400 0.476 -1.191 1.00 0.00 N ATOM 0 H LYS A 85 -4.389 0.420 5.629 1.00 0.00 H new ATOM 0 HA LYS A 85 -4.300 1.214 2.826 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -4.352 -1.489 3.536 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -6.032 -1.118 3.201 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -4.145 -0.082 1.181 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -4.153 -1.828 1.332 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -5.978 -1.812 0.003 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -6.865 -1.210 1.390 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -7.334 0.340 -0.338 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -6.151 1.146 0.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -5.129 1.476 -1.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -4.546 -0.104 -1.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -5.900 0.172 -2.051 1.00 0.00 H new ATOM 1111 N TYR A 86 -6.484 2.365 3.393 1.00 0.00 N ATOM 1112 CA TYR A 86 -7.800 2.967 3.621 1.00 0.00 C ATOM 1113 C TYR A 86 -8.860 2.183 2.851 1.00 0.00 C ATOM 1114 O TYR A 86 -8.702 1.930 1.658 1.00 0.00 O ATOM 1115 CB TYR A 86 -7.800 4.438 3.179 1.00 0.00 C ATOM 1116 CG TYR A 86 -8.914 5.304 3.752 1.00 0.00 C ATOM 1117 CD1 TYR A 86 -9.987 4.759 4.447 1.00 0.00 C ATOM 1118 CD2 TYR A 86 -8.885 6.684 3.579 1.00 0.00 C ATOM 1119 CE1 TYR A 86 -10.993 5.560 4.955 1.00 0.00 C ATOM 1120 CE2 TYR A 86 -9.888 7.490 4.082 1.00 0.00 C ATOM 1121 CZ TYR A 86 -10.939 6.925 4.770 1.00 0.00 C ATOM 1122 OH TYR A 86 -11.941 7.725 5.269 1.00 0.00 O ATOM 0 H TYR A 86 -5.841 2.937 2.844 1.00 0.00 H new ATOM 0 HA TYR A 86 -8.029 2.930 4.686 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -6.843 4.881 3.456 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -7.864 4.471 2.091 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -10.036 3.690 4.593 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -8.063 7.134 3.042 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -11.818 5.118 5.494 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -9.848 8.559 3.936 1.00 0.00 H new ATOM 0 HH TYR A 86 -11.562 8.365 5.907 1.00 0.00 H new ATOM 1132 N GLU A 87 -9.911 1.776 3.559 1.00 0.00 N ATOM 1133 CA GLU A 87 -11.004 1.005 2.975 1.00 0.00 C ATOM 1134 C GLU A 87 -11.624 1.742 1.790 1.00 0.00 C ATOM 1135 O GLU A 87 -11.385 1.392 0.634 1.00 0.00 O ATOM 1136 CB GLU A 87 -12.067 0.725 4.038 1.00 0.00 C ATOM 1137 CG GLU A 87 -12.714 -0.641 3.912 1.00 0.00 C ATOM 1138 CD GLU A 87 -14.051 -0.707 4.616 1.00 0.00 C ATOM 1139 OE1 GLU A 87 -14.080 -0.607 5.864 1.00 0.00 O ATOM 1140 OE2 GLU A 87 -15.083 -0.856 3.929 1.00 0.00 O ATOM 0 H GLU A 87 -10.028 1.972 4.553 1.00 0.00 H new ATOM 0 HA GLU A 87 -10.602 0.060 2.610 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -11.612 0.812 5.025 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -12.841 1.490 3.975 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -12.848 -0.882 2.857 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -12.048 -1.396 4.329 1.00 0.00 H new ATOM 1147 N ASP A 88 -12.429 2.754 2.083 1.00 0.00 N ATOM 1148 CA ASP A 88 -12.985 3.606 1.043 1.00 0.00 C ATOM 1149 C ASP A 88 -12.245 4.932 1.026 1.00 0.00 C ATOM 1150 O ASP A 88 -12.302 5.701 1.989 1.00 0.00 O ATOM 1151 CB ASP A 88 -14.478 3.842 1.264 1.00 0.00 C ATOM 1152 CG ASP A 88 -15.175 4.397 0.032 1.00 0.00 C ATOM 1153 OD1 ASP A 88 -14.529 5.112 -0.766 1.00 0.00 O ATOM 1154 OD2 ASP A 88 -16.380 4.121 -0.140 1.00 0.00 O ATOM 0 H ASP A 88 -12.711 3.004 3.031 1.00 0.00 H new ATOM 0 HA ASP A 88 -12.863 3.105 0.082 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -14.951 2.903 1.551 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -14.613 4.534 2.095 1.00 0.00 H new ATOM 1159 N TYR A 89 -11.560 5.196 -0.072 1.00 0.00 N ATOM 1160 CA TYR A 89 -10.723 6.381 -0.191 1.00 0.00 C ATOM 1161 C TYR A 89 -11.556 7.657 -0.244 1.00 0.00 C ATOM 1162 O TYR A 89 -11.127 8.704 0.243 1.00 0.00 O ATOM 1163 CB TYR A 89 -9.861 6.281 -1.449 1.00 0.00 C ATOM 1164 CG TYR A 89 -8.618 5.433 -1.283 1.00 0.00 C ATOM 1165 CD1 TYR A 89 -8.114 5.126 -0.024 1.00 0.00 C ATOM 1166 CD2 TYR A 89 -7.946 4.941 -2.393 1.00 0.00 C ATOM 1167 CE1 TYR A 89 -6.979 4.358 0.122 1.00 0.00 C ATOM 1168 CE2 TYR A 89 -6.810 4.170 -2.254 1.00 0.00 C ATOM 1169 CZ TYR A 89 -6.331 3.882 -0.997 1.00 0.00 C ATOM 1170 OH TYR A 89 -5.190 3.124 -0.860 1.00 0.00 O ATOM 0 H TYR A 89 -11.566 4.602 -0.901 1.00 0.00 H new ATOM 0 HA TYR A 89 -10.088 6.430 0.694 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -10.464 5.868 -2.257 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -9.565 7.285 -1.754 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -8.621 5.496 0.855 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -8.318 5.165 -3.382 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -6.600 4.131 1.107 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -6.299 3.794 -3.128 1.00 0.00 H new ATOM 0 HH TYR A 89 -4.403 3.705 -0.917 1.00 0.00 H new ATOM 1180 N TYR A 90 -12.759 7.557 -0.796 1.00 0.00 N ATOM 1181 CA TYR A 90 -13.572 8.735 -1.074 1.00 0.00 C ATOM 1182 C TYR A 90 -14.263 9.260 0.177 1.00 0.00 C ATOM 1183 O TYR A 90 -14.926 10.298 0.138 1.00 0.00 O ATOM 1184 CB TYR A 90 -14.606 8.421 -2.151 1.00 0.00 C ATOM 1185 CG TYR A 90 -14.137 8.771 -3.546 1.00 0.00 C ATOM 1186 CD1 TYR A 90 -13.167 8.007 -4.182 1.00 0.00 C ATOM 1187 CD2 TYR A 90 -14.660 9.866 -4.224 1.00 0.00 C ATOM 1188 CE1 TYR A 90 -12.733 8.322 -5.455 1.00 0.00 C ATOM 1189 CE2 TYR A 90 -14.231 10.186 -5.498 1.00 0.00 C ATOM 1190 CZ TYR A 90 -13.268 9.411 -6.108 1.00 0.00 C ATOM 1191 OH TYR A 90 -12.837 9.726 -7.379 1.00 0.00 O ATOM 0 H TYR A 90 -13.193 6.673 -1.060 1.00 0.00 H new ATOM 0 HA TYR A 90 -12.902 9.516 -1.432 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -14.851 7.360 -2.112 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -15.524 8.968 -1.935 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -12.745 7.153 -3.673 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -15.413 10.476 -3.748 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -11.978 7.718 -5.936 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -14.648 11.039 -6.013 1.00 0.00 H new ATOM 0 HH TYR A 90 -13.314 10.520 -7.699 1.00 0.00 H new ATOM 1201 N THR A 91 -14.113 8.551 1.285 1.00 0.00 N ATOM 1202 CA THR A 91 -14.674 8.997 2.551 1.00 0.00 C ATOM 1203 C THR A 91 -13.932 10.230 3.064 1.00 0.00 C ATOM 1204 O THR A 91 -14.496 11.057 3.780 1.00 0.00 O ATOM 1205 CB THR A 91 -14.616 7.879 3.606 1.00 0.00 C ATOM 1206 OG1 THR A 91 -14.679 6.604 2.958 1.00 0.00 O ATOM 1207 CG2 THR A 91 -15.761 8.001 4.602 1.00 0.00 C ATOM 0 H THR A 91 -13.608 7.666 1.334 1.00 0.00 H new ATOM 0 HA THR A 91 -15.718 9.257 2.377 1.00 0.00 H new ATOM 0 HB THR A 91 -13.677 7.973 4.151 1.00 0.00 H new ATOM 0 HG1 THR A 91 -13.771 6.289 2.767 1.00 0.00 H new ATOM 0 HG21 THR A 91 -15.693 7.197 5.335 1.00 0.00 H new ATOM 0 HG22 THR A 91 -15.699 8.963 5.111 1.00 0.00 H new ATOM 0 HG23 THR A 91 -16.712 7.931 4.074 1.00 0.00 H new ATOM 1215 N SER A 92 -12.668 10.348 2.677 1.00 0.00 N ATOM 1216 CA SER A 92 -11.844 11.479 3.068 1.00 0.00 C ATOM 1217 C SER A 92 -10.637 11.587 2.141 1.00 0.00 C ATOM 1218 O SER A 92 -9.495 11.394 2.558 1.00 0.00 O ATOM 1219 CB SER A 92 -11.390 11.337 4.525 1.00 0.00 C ATOM 1220 OG SER A 92 -12.389 11.803 5.417 1.00 0.00 O ATOM 0 H SER A 92 -12.190 9.666 2.088 1.00 0.00 H new ATOM 0 HA SER A 92 -12.436 12.390 2.984 1.00 0.00 H new ATOM 0 HB2 SER A 92 -11.165 10.292 4.739 1.00 0.00 H new ATOM 0 HB3 SER A 92 -10.469 11.899 4.679 1.00 0.00 H new ATOM 0 HG SER A 92 -13.273 11.669 5.017 1.00 0.00 H new ATOM 1226 N GLY A 93 -10.903 11.890 0.881 1.00 0.00 N ATOM 1227 CA GLY A 93 -9.850 11.978 -0.109 1.00 0.00 C ATOM 1228 C GLY A 93 -10.277 11.394 -1.437 1.00 0.00 C ATOM 1229 O GLY A 93 -11.443 11.049 -1.621 1.00 0.00 O ATOM 0 H GLY A 93 -11.839 12.078 0.523 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -9.566 13.021 -0.245 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -8.967 11.452 0.252 1.00 0.00 H new ATOM 1233 N LEU A 94 -9.340 11.295 -2.369 1.00 0.00 N ATOM 1234 CA LEU A 94 -9.618 10.713 -3.675 1.00 0.00 C ATOM 1235 C LEU A 94 -8.877 9.395 -3.812 1.00 0.00 C ATOM 1236 O LEU A 94 -9.479 8.324 -3.838 1.00 0.00 O ATOM 1237 CB LEU A 94 -9.195 11.664 -4.804 1.00 0.00 C ATOM 1238 CG LEU A 94 -10.059 12.916 -4.987 1.00 0.00 C ATOM 1239 CD1 LEU A 94 -11.499 12.658 -4.572 1.00 0.00 C ATOM 1240 CD2 LEU A 94 -9.478 14.075 -4.198 1.00 0.00 C ATOM 0 H LEU A 94 -8.378 11.611 -2.245 1.00 0.00 H new ATOM 0 HA LEU A 94 -10.692 10.543 -3.755 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -8.168 11.979 -4.621 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -9.195 11.107 -5.741 1.00 0.00 H new ATOM 0 HG LEU A 94 -10.059 13.175 -6.046 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -12.087 13.565 -4.714 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -11.916 11.857 -5.182 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -11.528 12.367 -3.522 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -10.101 14.958 -4.337 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -9.447 13.815 -3.140 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -8.468 14.285 -4.550 1.00 0.00 H new ATOM 1252 N SER A 95 -7.561 9.491 -3.891 1.00 0.00 N ATOM 1253 CA SER A 95 -6.711 8.323 -3.962 1.00 0.00 C ATOM 1254 C SER A 95 -5.576 8.444 -2.953 1.00 0.00 C ATOM 1255 O SER A 95 -4.780 9.385 -3.008 1.00 0.00 O ATOM 1256 CB SER A 95 -6.149 8.179 -5.379 1.00 0.00 C ATOM 1257 OG SER A 95 -6.828 9.040 -6.285 1.00 0.00 O ATOM 0 H SER A 95 -7.057 10.378 -3.907 1.00 0.00 H new ATOM 0 HA SER A 95 -7.298 7.436 -3.723 1.00 0.00 H new ATOM 0 HB2 SER A 95 -5.084 8.413 -5.378 1.00 0.00 H new ATOM 0 HB3 SER A 95 -6.248 7.145 -5.710 1.00 0.00 H new ATOM 0 HG SER A 95 -6.451 8.932 -7.183 1.00 0.00 H new ATOM 1263 N TRP A 96 -5.516 7.506 -2.021 1.00 0.00 N ATOM 1264 CA TRP A 96 -4.441 7.472 -1.043 1.00 0.00 C ATOM 1265 C TRP A 96 -3.416 6.431 -1.461 1.00 0.00 C ATOM 1266 O TRP A 96 -3.690 5.232 -1.431 1.00 0.00 O ATOM 1267 CB TRP A 96 -4.975 7.133 0.352 1.00 0.00 C ATOM 1268 CG TRP A 96 -5.776 8.230 0.995 1.00 0.00 C ATOM 1269 CD1 TRP A 96 -7.105 8.490 0.815 1.00 0.00 C ATOM 1270 CD2 TRP A 96 -5.303 9.199 1.938 1.00 0.00 C ATOM 1271 NE1 TRP A 96 -7.484 9.562 1.591 1.00 0.00 N ATOM 1272 CE2 TRP A 96 -6.396 10.011 2.289 1.00 0.00 C ATOM 1273 CE3 TRP A 96 -4.061 9.459 2.523 1.00 0.00 C ATOM 1274 CZ2 TRP A 96 -6.282 11.058 3.199 1.00 0.00 C ATOM 1275 CZ3 TRP A 96 -3.949 10.500 3.424 1.00 0.00 C ATOM 1276 CH2 TRP A 96 -5.055 11.288 3.756 1.00 0.00 C ATOM 0 H TRP A 96 -6.201 6.757 -1.921 1.00 0.00 H new ATOM 0 HA TRP A 96 -3.979 8.458 -1.002 1.00 0.00 H new ATOM 0 HB2 TRP A 96 -5.596 6.240 0.283 1.00 0.00 H new ATOM 0 HB3 TRP A 96 -4.134 6.887 1.000 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -7.762 7.936 0.160 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -8.423 9.957 1.638 1.00 0.00 H new ATOM 0 HE3 TRP A 96 -3.201 8.855 2.274 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 -7.135 11.669 3.457 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 -2.992 10.708 3.879 1.00 0.00 H new ATOM 0 HH2 TRP A 96 -4.938 12.094 4.466 1.00 0.00 H new ATOM 1287 N ILE A 97 -2.250 6.885 -1.860 1.00 0.00 N ATOM 1288 CA ILE A 97 -1.222 5.986 -2.348 1.00 0.00 C ATOM 1289 C ILE A 97 -0.104 5.839 -1.326 1.00 0.00 C ATOM 1290 O ILE A 97 0.095 6.707 -0.479 1.00 0.00 O ATOM 1291 CB ILE A 97 -0.646 6.465 -3.703 1.00 0.00 C ATOM 1292 CG1 ILE A 97 -0.286 5.267 -4.581 1.00 0.00 C ATOM 1293 CG2 ILE A 97 0.569 7.364 -3.508 1.00 0.00 C ATOM 1294 CD1 ILE A 97 -1.405 4.836 -5.504 1.00 0.00 C ATOM 0 H ILE A 97 -1.987 7.871 -1.857 1.00 0.00 H new ATOM 0 HA ILE A 97 -1.687 5.013 -2.503 1.00 0.00 H new ATOM 0 HB ILE A 97 -1.417 7.052 -4.203 1.00 0.00 H new ATOM 0 HG12 ILE A 97 0.591 5.515 -5.178 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -0.010 4.428 -3.942 1.00 0.00 H new ATOM 0 HG21 ILE A 97 0.947 7.681 -4.480 1.00 0.00 H new ATOM 0 HG22 ILE A 97 0.284 8.240 -2.926 1.00 0.00 H new ATOM 0 HG23 ILE A 97 1.347 6.814 -2.978 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -1.079 3.981 -6.097 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -2.277 4.556 -4.913 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -1.666 5.660 -6.168 1.00 0.00 H new ATOM 1306 N TRP A 98 0.602 4.730 -1.393 1.00 0.00 N ATOM 1307 CA TRP A 98 1.763 4.521 -0.567 1.00 0.00 C ATOM 1308 C TRP A 98 2.990 4.575 -1.458 1.00 0.00 C ATOM 1309 O TRP A 98 2.912 4.217 -2.630 1.00 0.00 O ATOM 1310 CB TRP A 98 1.668 3.168 0.153 1.00 0.00 C ATOM 1311 CG TRP A 98 0.304 2.545 0.101 1.00 0.00 C ATOM 1312 CD1 TRP A 98 -0.150 1.598 -0.780 1.00 0.00 C ATOM 1313 CD2 TRP A 98 -0.783 2.823 0.979 1.00 0.00 C ATOM 1314 NE1 TRP A 98 -1.461 1.299 -0.513 1.00 0.00 N ATOM 1315 CE2 TRP A 98 -1.870 2.036 0.566 1.00 0.00 C ATOM 1316 CE3 TRP A 98 -0.942 3.671 2.071 1.00 0.00 C ATOM 1317 CZ2 TRP A 98 -3.096 2.077 1.215 1.00 0.00 C ATOM 1318 CZ3 TRP A 98 -2.158 3.700 2.715 1.00 0.00 C ATOM 1319 CH2 TRP A 98 -3.220 2.910 2.278 1.00 0.00 C ATOM 0 H TRP A 98 0.386 3.954 -2.019 1.00 0.00 H new ATOM 0 HA TRP A 98 1.829 5.295 0.198 1.00 0.00 H new ATOM 0 HB2 TRP A 98 2.388 2.480 -0.291 1.00 0.00 H new ATOM 0 HB3 TRP A 98 1.956 3.302 1.196 1.00 0.00 H new ATOM 0 HD1 TRP A 98 0.439 1.153 -1.569 1.00 0.00 H new ATOM 0 HE1 TRP A 98 -2.037 0.637 -1.033 1.00 0.00 H new ATOM 0 HE3 TRP A 98 -0.127 4.295 2.407 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 -3.923 1.466 0.885 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 -2.291 4.344 3.571 1.00 0.00 H new ATOM 0 HH2 TRP A 98 -4.165 2.963 2.799 1.00 0.00 H new ATOM 1330 N LYS A 99 4.100 5.059 -0.937 1.00 0.00 N ATOM 1331 CA LYS A 99 5.346 5.047 -1.684 1.00 0.00 C ATOM 1332 C LYS A 99 6.448 4.409 -0.852 1.00 0.00 C ATOM 1333 O LYS A 99 6.725 4.838 0.271 1.00 0.00 O ATOM 1334 CB LYS A 99 5.742 6.460 -2.125 1.00 0.00 C ATOM 1335 CG LYS A 99 7.127 6.550 -2.752 1.00 0.00 C ATOM 1336 CD LYS A 99 7.096 7.305 -4.071 1.00 0.00 C ATOM 1337 CE LYS A 99 7.346 8.793 -3.873 1.00 0.00 C ATOM 1338 NZ LYS A 99 8.698 9.199 -4.340 1.00 0.00 N ATOM 0 H LYS A 99 4.167 5.464 -0.003 1.00 0.00 H new ATOM 0 HA LYS A 99 5.200 4.452 -2.585 1.00 0.00 H new ATOM 0 HB2 LYS A 99 5.006 6.825 -2.841 1.00 0.00 H new ATOM 0 HB3 LYS A 99 5.702 7.123 -1.261 1.00 0.00 H new ATOM 0 HG2 LYS A 99 7.808 7.049 -2.062 1.00 0.00 H new ATOM 0 HG3 LYS A 99 7.519 5.546 -2.916 1.00 0.00 H new ATOM 0 HD2 LYS A 99 7.850 6.895 -4.743 1.00 0.00 H new ATOM 0 HD3 LYS A 99 6.128 7.159 -4.551 1.00 0.00 H new ATOM 0 HE2 LYS A 99 6.590 9.362 -4.413 1.00 0.00 H new ATOM 0 HE3 LYS A 99 7.238 9.041 -2.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 8.728 10.232 -4.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 9.409 8.910 -3.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 8.904 8.739 -5.250 1.00 0.00 H new ATOM 1352 N ILE A 100 7.049 3.370 -1.407 1.00 0.00 N ATOM 1353 CA ILE A 100 8.129 2.664 -0.749 1.00 0.00 C ATOM 1354 C ILE A 100 9.452 3.358 -1.064 1.00 0.00 C ATOM 1355 O ILE A 100 9.715 3.731 -2.212 1.00 0.00 O ATOM 1356 CB ILE A 100 8.167 1.161 -1.180 1.00 0.00 C ATOM 1357 CG1 ILE A 100 8.455 0.246 0.016 1.00 0.00 C ATOM 1358 CG2 ILE A 100 9.189 0.914 -2.277 1.00 0.00 C ATOM 1359 CD1 ILE A 100 7.768 -1.108 -0.069 1.00 0.00 C ATOM 0 H ILE A 100 6.801 2.995 -2.323 1.00 0.00 H new ATOM 0 HA ILE A 100 7.962 2.686 0.328 1.00 0.00 H new ATOM 0 HB ILE A 100 7.179 0.923 -1.574 1.00 0.00 H new ATOM 0 HG12 ILE A 100 9.531 0.093 0.094 1.00 0.00 H new ATOM 0 HG13 ILE A 100 8.138 0.748 0.930 1.00 0.00 H new ATOM 0 HG21 ILE A 100 9.184 -0.142 -2.548 1.00 0.00 H new ATOM 0 HG22 ILE A 100 8.937 1.514 -3.151 1.00 0.00 H new ATOM 0 HG23 ILE A 100 10.181 1.192 -1.920 1.00 0.00 H new ATOM 0 HD11 ILE A 100 8.019 -1.699 0.812 1.00 0.00 H new ATOM 0 HD12 ILE A 100 6.688 -0.966 -0.115 1.00 0.00 H new ATOM 0 HD13 ILE A 100 8.104 -1.631 -0.965 1.00 0.00 H new ATOM 1371 N LYS A 101 10.238 3.601 -0.035 1.00 0.00 N ATOM 1372 CA LYS A 101 11.593 4.093 -0.209 1.00 0.00 C ATOM 1373 C LYS A 101 12.541 3.174 0.533 1.00 0.00 C ATOM 1374 O LYS A 101 12.579 3.182 1.761 1.00 0.00 O ATOM 1375 CB LYS A 101 11.747 5.525 0.318 1.00 0.00 C ATOM 1376 CG LYS A 101 10.474 6.354 0.286 1.00 0.00 C ATOM 1377 CD LYS A 101 10.661 7.667 1.025 1.00 0.00 C ATOM 1378 CE LYS A 101 9.684 8.721 0.542 1.00 0.00 C ATOM 1379 NZ LYS A 101 10.281 9.602 -0.494 1.00 0.00 N ATOM 0 H LYS A 101 9.961 3.465 0.937 1.00 0.00 H new ATOM 0 HA LYS A 101 11.824 4.106 -1.274 1.00 0.00 H new ATOM 0 HB2 LYS A 101 12.111 5.483 1.345 1.00 0.00 H new ATOM 0 HB3 LYS A 101 12.511 6.034 -0.270 1.00 0.00 H new ATOM 0 HG2 LYS A 101 10.190 6.552 -0.748 1.00 0.00 H new ATOM 0 HG3 LYS A 101 9.658 5.791 0.738 1.00 0.00 H new ATOM 0 HD2 LYS A 101 10.525 7.506 2.094 1.00 0.00 H new ATOM 0 HD3 LYS A 101 11.681 8.023 0.883 1.00 0.00 H new ATOM 0 HE2 LYS A 101 8.797 8.234 0.136 1.00 0.00 H new ATOM 0 HE3 LYS A 101 9.357 9.326 1.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 9.535 10.182 -0.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 10.990 10.223 -0.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 10.736 9.019 -1.225 1.00 0.00 H new ATOM 1393 N ASN A 102 13.280 2.359 -0.191 1.00 0.00 N ATOM 1394 CA ASN A 102 14.165 1.406 0.459 1.00 0.00 C ATOM 1395 C ASN A 102 15.604 1.892 0.431 1.00 0.00 C ATOM 1396 O ASN A 102 16.130 2.271 -0.615 1.00 0.00 O ATOM 1397 CB ASN A 102 14.048 0.006 -0.167 1.00 0.00 C ATOM 1398 CG ASN A 102 14.468 -0.054 -1.623 1.00 0.00 C ATOM 1399 OD1 ASN A 102 14.294 0.900 -2.370 1.00 0.00 O ATOM 1400 ND2 ASN A 102 15.007 -1.185 -2.039 1.00 0.00 N ATOM 0 H ASN A 102 13.289 2.334 -1.211 1.00 0.00 H new ATOM 0 HA ASN A 102 13.852 1.328 1.500 1.00 0.00 H new ATOM 0 HB2 ASN A 102 14.660 -0.690 0.406 1.00 0.00 H new ATOM 0 HB3 ASN A 102 13.016 -0.334 -0.083 1.00 0.00 H new ATOM 0 HD21 ASN A 102 15.294 -1.285 -3.013 1.00 0.00 H new ATOM 0 HD22 ASN A 102 15.136 -1.959 -1.387 1.00 0.00 H new ATOM 1407 N ASN A 103 16.228 1.905 1.601 1.00 0.00 N ATOM 1408 CA ASN A 103 17.634 2.258 1.703 1.00 0.00 C ATOM 1409 C ASN A 103 18.491 1.041 1.399 1.00 0.00 C ATOM 1410 O ASN A 103 19.713 1.131 1.289 1.00 0.00 O ATOM 1411 CB ASN A 103 17.973 2.819 3.090 1.00 0.00 C ATOM 1412 CG ASN A 103 17.485 1.957 4.233 1.00 0.00 C ATOM 1413 OD1 ASN A 103 18.010 0.868 4.474 1.00 0.00 O ATOM 1414 ND2 ASN A 103 16.487 2.444 4.953 1.00 0.00 N ATOM 0 H ASN A 103 15.783 1.676 2.490 1.00 0.00 H new ATOM 0 HA ASN A 103 17.844 3.039 0.973 1.00 0.00 H new ATOM 0 HB2 ASN A 103 19.054 2.935 3.170 1.00 0.00 H new ATOM 0 HB3 ASN A 103 17.538 3.814 3.186 1.00 0.00 H new ATOM 0 HD21 ASN A 103 16.122 1.913 5.744 1.00 0.00 H new ATOM 0 HD22 ASN A 103 16.083 3.350 4.717 1.00 0.00 H new ATOM 1421 N SER A 104 17.829 -0.100 1.275 1.00 0.00 N ATOM 1422 CA SER A 104 18.481 -1.323 0.862 1.00 0.00 C ATOM 1423 C SER A 104 19.019 -1.169 -0.555 1.00 0.00 C ATOM 1424 O SER A 104 18.250 -1.041 -1.507 1.00 0.00 O ATOM 1425 CB SER A 104 17.494 -2.493 0.922 1.00 0.00 C ATOM 1426 OG SER A 104 18.110 -3.671 1.415 1.00 0.00 O ATOM 0 H SER A 104 16.830 -0.199 1.458 1.00 0.00 H new ATOM 0 HA SER A 104 19.311 -1.528 1.539 1.00 0.00 H new ATOM 0 HB2 SER A 104 16.652 -2.227 1.561 1.00 0.00 H new ATOM 0 HB3 SER A 104 17.091 -2.681 -0.073 1.00 0.00 H new ATOM 0 HG SER A 104 17.453 -4.397 1.442 1.00 0.00 H new ATOM 1432 N SER A 105 20.338 -1.159 -0.683 1.00 0.00 N ATOM 1433 CA SER A 105 20.984 -1.061 -1.980 1.00 0.00 C ATOM 1434 C SER A 105 20.750 -2.331 -2.795 1.00 0.00 C ATOM 1435 O SER A 105 20.872 -2.329 -4.025 1.00 0.00 O ATOM 1436 CB SER A 105 22.476 -0.810 -1.778 1.00 0.00 C ATOM 1437 OG SER A 105 22.764 -0.595 -0.403 1.00 0.00 O ATOM 0 H SER A 105 20.985 -1.218 0.104 1.00 0.00 H new ATOM 0 HA SER A 105 20.554 -0.229 -2.537 1.00 0.00 H new ATOM 0 HB2 SER A 105 23.047 -1.662 -2.146 1.00 0.00 H new ATOM 0 HB3 SER A 105 22.787 0.057 -2.360 1.00 0.00 H new ATOM 0 HG SER A 105 23.725 -0.437 -0.291 1.00 0.00 H new ATOM 1443 N GLU A 106 20.408 -3.410 -2.102 1.00 0.00 N ATOM 1444 CA GLU A 106 20.080 -4.669 -2.751 1.00 0.00 C ATOM 1445 C GLU A 106 18.568 -4.853 -2.819 1.00 0.00 C ATOM 1446 O GLU A 106 17.815 -4.092 -2.208 1.00 0.00 O ATOM 1447 CB GLU A 106 20.719 -5.838 -2.001 1.00 0.00 C ATOM 1448 CG GLU A 106 21.762 -6.586 -2.816 1.00 0.00 C ATOM 1449 CD GLU A 106 22.600 -5.665 -3.680 1.00 0.00 C ATOM 1450 OE1 GLU A 106 23.587 -5.096 -3.169 1.00 0.00 O ATOM 1451 OE2 GLU A 106 22.266 -5.499 -4.872 1.00 0.00 O ATOM 0 H GLU A 106 20.351 -3.436 -1.084 1.00 0.00 H new ATOM 0 HA GLU A 106 20.476 -4.647 -3.766 1.00 0.00 H new ATOM 0 HB2 GLU A 106 21.183 -5.463 -1.089 1.00 0.00 H new ATOM 0 HB3 GLU A 106 19.938 -6.535 -1.698 1.00 0.00 H new ATOM 0 HG2 GLU A 106 22.416 -7.139 -2.142 1.00 0.00 H new ATOM 0 HG3 GLU A 106 21.264 -7.319 -3.450 1.00 0.00 H new ATOM 1458 N THR A 107 18.134 -5.861 -3.567 1.00 0.00 N ATOM 1459 CA THR A 107 16.716 -6.156 -3.724 1.00 0.00 C ATOM 1460 C THR A 107 16.066 -6.462 -2.375 1.00 0.00 C ATOM 1461 O THR A 107 16.553 -7.298 -1.614 1.00 0.00 O ATOM 1462 CB THR A 107 16.523 -7.351 -4.671 1.00 0.00 C ATOM 1463 OG1 THR A 107 17.799 -7.782 -5.171 1.00 0.00 O ATOM 1464 CG2 THR A 107 15.617 -6.979 -5.836 1.00 0.00 C ATOM 0 H THR A 107 18.751 -6.492 -4.078 1.00 0.00 H new ATOM 0 HA THR A 107 16.236 -5.275 -4.149 1.00 0.00 H new ATOM 0 HB THR A 107 16.053 -8.161 -4.113 1.00 0.00 H new ATOM 0 HG1 THR A 107 17.674 -8.545 -5.773 1.00 0.00 H new ATOM 0 HG21 THR A 107 15.496 -7.841 -6.492 1.00 0.00 H new ATOM 0 HG22 THR A 107 14.643 -6.672 -5.456 1.00 0.00 H new ATOM 0 HG23 THR A 107 16.063 -6.157 -6.396 1.00 0.00 H new ATOM 1472 N SER A 108 14.970 -5.779 -2.082 1.00 0.00 N ATOM 1473 CA SER A 108 14.304 -5.926 -0.796 1.00 0.00 C ATOM 1474 C SER A 108 12.939 -6.599 -0.950 1.00 0.00 C ATOM 1475 O SER A 108 12.047 -6.075 -1.614 1.00 0.00 O ATOM 1476 CB SER A 108 14.160 -4.552 -0.141 1.00 0.00 C ATOM 1477 OG SER A 108 15.085 -3.633 -0.706 1.00 0.00 O ATOM 0 H SER A 108 14.523 -5.118 -2.717 1.00 0.00 H new ATOM 0 HA SER A 108 14.911 -6.568 -0.158 1.00 0.00 H new ATOM 0 HB2 SER A 108 13.143 -4.183 -0.276 1.00 0.00 H new ATOM 0 HB3 SER A 108 14.330 -4.635 0.933 1.00 0.00 H new ATOM 0 HG SER A 108 15.961 -4.063 -0.795 1.00 0.00 H new ATOM 1483 N ASN A 109 12.792 -7.772 -0.345 1.00 0.00 N ATOM 1484 CA ASN A 109 11.542 -8.525 -0.428 1.00 0.00 C ATOM 1485 C ASN A 109 10.579 -8.103 0.677 1.00 0.00 C ATOM 1486 O ASN A 109 10.930 -8.129 1.861 1.00 0.00 O ATOM 1487 CB ASN A 109 11.814 -10.027 -0.337 1.00 0.00 C ATOM 1488 CG ASN A 109 10.800 -10.848 -1.110 1.00 0.00 C ATOM 1489 OD1 ASN A 109 10.450 -10.522 -2.243 1.00 0.00 O ATOM 1490 ND2 ASN A 109 10.338 -11.930 -0.507 1.00 0.00 N ATOM 0 H ASN A 109 13.521 -8.223 0.208 1.00 0.00 H new ATOM 0 HA ASN A 109 11.082 -8.307 -1.392 1.00 0.00 H new ATOM 0 HB2 ASN A 109 12.813 -10.236 -0.719 1.00 0.00 H new ATOM 0 HB3 ASN A 109 11.803 -10.332 0.709 1.00 0.00 H new ATOM 0 HD21 ASN A 109 9.665 -12.531 -0.983 1.00 0.00 H new ATOM 0 HD22 ASN A 109 10.655 -12.164 0.434 1.00 0.00 H new ATOM 1497 N TYR A 110 9.367 -7.718 0.286 1.00 0.00 N ATOM 1498 CA TYR A 110 8.367 -7.248 1.237 1.00 0.00 C ATOM 1499 C TYR A 110 7.111 -8.120 1.202 1.00 0.00 C ATOM 1500 O TYR A 110 6.890 -8.868 0.249 1.00 0.00 O ATOM 1501 CB TYR A 110 7.997 -5.781 0.949 1.00 0.00 C ATOM 1502 CG TYR A 110 7.283 -5.548 -0.379 1.00 0.00 C ATOM 1503 CD1 TYR A 110 5.946 -5.898 -0.539 1.00 0.00 C ATOM 1504 CD2 TYR A 110 7.941 -4.983 -1.474 1.00 0.00 C ATOM 1505 CE1 TYR A 110 5.289 -5.698 -1.735 1.00 0.00 C ATOM 1506 CE2 TYR A 110 7.284 -4.784 -2.676 1.00 0.00 C ATOM 1507 CZ TYR A 110 5.960 -5.143 -2.799 1.00 0.00 C ATOM 1508 OH TYR A 110 5.300 -4.950 -3.990 1.00 0.00 O ATOM 0 H TYR A 110 9.054 -7.723 -0.685 1.00 0.00 H new ATOM 0 HA TYR A 110 8.801 -7.317 2.234 1.00 0.00 H new ATOM 0 HB2 TYR A 110 7.361 -5.417 1.756 1.00 0.00 H new ATOM 0 HB3 TYR A 110 8.907 -5.182 0.966 1.00 0.00 H new ATOM 0 HD1 TYR A 110 5.411 -6.336 0.291 1.00 0.00 H new ATOM 0 HD2 TYR A 110 8.978 -4.697 -1.381 1.00 0.00 H new ATOM 0 HE1 TYR A 110 4.250 -5.977 -1.836 1.00 0.00 H new ATOM 0 HE2 TYR A 110 7.808 -4.349 -3.514 1.00 0.00 H new ATOM 0 HH TYR A 110 5.912 -4.548 -4.642 1.00 0.00 H new ATOM 1518 N SER A 111 6.294 -8.015 2.243 1.00 0.00 N ATOM 1519 CA SER A 111 5.001 -8.682 2.278 1.00 0.00 C ATOM 1520 C SER A 111 3.906 -7.692 2.695 1.00 0.00 C ATOM 1521 O SER A 111 3.692 -7.449 3.879 1.00 0.00 O ATOM 1522 CB SER A 111 5.047 -9.870 3.240 1.00 0.00 C ATOM 1523 OG SER A 111 6.215 -9.831 4.046 1.00 0.00 O ATOM 0 H SER A 111 6.507 -7.470 3.079 1.00 0.00 H new ATOM 0 HA SER A 111 4.768 -9.054 1.280 1.00 0.00 H new ATOM 0 HB2 SER A 111 4.162 -9.861 3.876 1.00 0.00 H new ATOM 0 HB3 SER A 111 5.023 -10.801 2.674 1.00 0.00 H new ATOM 0 HG SER A 111 6.219 -10.600 4.653 1.00 0.00 H new ATOM 1529 N LEU A 112 3.238 -7.110 1.710 1.00 0.00 N ATOM 1530 CA LEU A 112 2.198 -6.107 1.955 1.00 0.00 C ATOM 1531 C LEU A 112 0.801 -6.707 1.791 1.00 0.00 C ATOM 1532 O LEU A 112 0.359 -6.925 0.667 1.00 0.00 O ATOM 1533 CB LEU A 112 2.361 -4.940 0.974 1.00 0.00 C ATOM 1534 CG LEU A 112 1.093 -4.119 0.694 1.00 0.00 C ATOM 1535 CD1 LEU A 112 0.667 -3.333 1.924 1.00 0.00 C ATOM 1536 CD2 LEU A 112 1.321 -3.184 -0.481 1.00 0.00 C ATOM 0 H LEU A 112 3.396 -7.314 0.723 1.00 0.00 H new ATOM 0 HA LEU A 112 2.307 -5.753 2.980 1.00 0.00 H new ATOM 0 HB2 LEU A 112 3.127 -4.269 1.362 1.00 0.00 H new ATOM 0 HB3 LEU A 112 2.732 -5.335 0.028 1.00 0.00 H new ATOM 0 HG LEU A 112 0.289 -4.811 0.442 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -0.233 -2.761 1.697 1.00 0.00 H new ATOM 0 HD12 LEU A 112 0.462 -4.022 2.743 1.00 0.00 H new ATOM 0 HD13 LEU A 112 1.466 -2.651 2.215 1.00 0.00 H new ATOM 0 HD21 LEU A 112 0.415 -2.608 -0.669 1.00 0.00 H new ATOM 0 HD22 LEU A 112 2.142 -2.504 -0.251 1.00 0.00 H new ATOM 0 HD23 LEU A 112 1.570 -3.768 -1.367 1.00 0.00 H new ATOM 1548 N ASP A 113 0.086 -6.978 2.877 1.00 0.00 N ATOM 1549 CA ASP A 113 -1.285 -7.461 2.723 1.00 0.00 C ATOM 1550 C ASP A 113 -2.300 -6.367 2.932 1.00 0.00 C ATOM 1551 O ASP A 113 -2.330 -5.685 3.961 1.00 0.00 O ATOM 1552 CB ASP A 113 -1.641 -8.653 3.627 1.00 0.00 C ATOM 1553 CG ASP A 113 -1.441 -8.417 5.110 1.00 0.00 C ATOM 1554 OD1 ASP A 113 -0.309 -8.626 5.600 1.00 0.00 O ATOM 1555 OD2 ASP A 113 -2.430 -8.077 5.800 1.00 0.00 O ATOM 0 H ASP A 113 0.413 -6.878 3.838 1.00 0.00 H new ATOM 0 HA ASP A 113 -1.326 -7.810 1.691 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -2.683 -8.921 3.455 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -1.038 -9.510 3.327 1.00 0.00 H new ATOM 1560 N ALA A 114 -3.110 -6.192 1.911 1.00 0.00 N ATOM 1561 CA ALA A 114 -4.341 -5.448 2.025 1.00 0.00 C ATOM 1562 C ALA A 114 -5.472 -6.459 1.904 1.00 0.00 C ATOM 1563 O ALA A 114 -5.202 -7.654 1.757 1.00 0.00 O ATOM 1564 CB ALA A 114 -4.428 -4.356 0.963 1.00 0.00 C ATOM 0 H ALA A 114 -2.932 -6.563 0.978 1.00 0.00 H new ATOM 0 HA ALA A 114 -4.400 -4.928 2.981 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -5.367 -3.813 1.075 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -3.593 -3.665 1.082 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -4.387 -4.808 -0.028 1.00 0.00 H new ATOM 1570 N THR A 115 -6.713 -6.030 1.987 1.00 0.00 N ATOM 1571 CA THR A 115 -7.809 -6.969 1.837 1.00 0.00 C ATOM 1572 C THR A 115 -8.163 -7.119 0.364 1.00 0.00 C ATOM 1573 O THR A 115 -8.387 -6.133 -0.345 1.00 0.00 O ATOM 1574 CB THR A 115 -9.045 -6.536 2.638 1.00 0.00 C ATOM 1575 OG1 THR A 115 -8.677 -6.312 4.002 1.00 0.00 O ATOM 1576 CG2 THR A 115 -10.137 -7.591 2.580 1.00 0.00 C ATOM 0 H THR A 115 -6.987 -5.062 2.153 1.00 0.00 H new ATOM 0 HA THR A 115 -7.482 -7.930 2.233 1.00 0.00 H new ATOM 0 HB THR A 115 -9.430 -5.617 2.197 1.00 0.00 H new ATOM 0 HG1 THR A 115 -9.466 -6.034 4.512 1.00 0.00 H new ATOM 0 HG21 THR A 115 -10.999 -7.255 3.157 1.00 0.00 H new ATOM 0 HG22 THR A 115 -10.434 -7.751 1.543 1.00 0.00 H new ATOM 0 HG23 THR A 115 -9.763 -8.525 2.998 1.00 0.00 H new