USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 754 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 25 THR OG1 : rot -85:sc= 1.59 USER MOD Set 1.2: A 37 THR OG1 : rot 20:sc= 1.47 USER MOD Set 2.1: A 19 HIS : no HE2:sc= -3.96! C(o=-6.5!,f=-11!) USER MOD Set 2.2: A 24 SER OG : rot 150:sc= -2.54! USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.662 USER MOD Single : A 17 GLN : amide:sc= -0.0331 X(o=-0.033,f=-0.17) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN :FLIP amide:sc= -3.86! C(o=-8.7!,f=-3.9!) USER MOD Single : A 21 ASN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 HIS : no HD1:sc= -0.0123 X(o=-0.012,f=-0.36) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 19:sc= 0.0471 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= -15.6! C(o=-16!,f=-15!) USER MOD Single : A 53 GLN : amide:sc= -10.6! C(o=-11!,f=-19!) USER MOD Single : A 59 THR OG1 : rot -140:sc= -2.47! USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 HIS : no HE2:sc= -3.93 K(o=-3.9,f=-12!) USER MOD Single : A 68 SER OG : rot 180:sc= -0.0644 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.889 USER MOD Single : A 75 SER OG : rot 95:sc= -0.555 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= -11! C(o=-11!,f=-13!) USER MOD Single : A 89 SER OG : rot -42:sc= 0.0774 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.595 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.207 USER MOD Single : A 101 THR OG1 : rot 180:sc= -0.0085 USER MOD ----------------------------------------------------------------- ATOM 95 N VAL A 8 12.144 -2.353 -23.032 1.00 0.00 N ATOM 96 CA VAL A 8 12.273 -3.175 -21.841 1.00 0.00 C ATOM 97 C VAL A 8 11.874 -4.615 -22.173 1.00 0.00 C ATOM 98 O VAL A 8 12.639 -5.546 -21.932 1.00 0.00 O ATOM 99 CB VAL A 8 11.449 -2.575 -20.700 1.00 0.00 C ATOM 100 CG1 VAL A 8 10.442 -1.553 -21.230 1.00 0.00 C ATOM 101 CG2 VAL A 8 10.746 -3.672 -19.895 1.00 0.00 C ATOM 0 HA VAL A 8 13.309 -3.195 -21.502 1.00 0.00 H new ATOM 0 HB VAL A 8 12.133 -2.054 -20.030 1.00 0.00 H new ATOM 0 HG11 VAL A 8 9.869 -1.142 -20.399 1.00 0.00 H new ATOM 0 HG12 VAL A 8 10.973 -0.748 -21.738 1.00 0.00 H new ATOM 0 HG13 VAL A 8 9.765 -2.040 -21.932 1.00 0.00 H new ATOM 0 HG21 VAL A 8 10.167 -3.219 -19.090 1.00 0.00 H new ATOM 0 HG22 VAL A 8 10.079 -4.233 -20.550 1.00 0.00 H new ATOM 0 HG23 VAL A 8 11.490 -4.346 -19.471 1.00 0.00 H new ATOM 111 N LYS A 9 10.675 -4.751 -22.724 1.00 0.00 N ATOM 112 CA LYS A 9 10.166 -6.060 -23.092 1.00 0.00 C ATOM 113 C LYS A 9 9.704 -6.796 -21.833 1.00 0.00 C ATOM 114 O LYS A 9 8.542 -7.182 -21.727 1.00 0.00 O ATOM 115 CB LYS A 9 11.208 -6.831 -23.907 1.00 0.00 C ATOM 116 CG LYS A 9 10.546 -7.608 -25.048 1.00 0.00 C ATOM 117 CD LYS A 9 11.563 -7.952 -26.139 1.00 0.00 C ATOM 118 CE LYS A 9 11.190 -7.285 -27.464 1.00 0.00 C ATOM 119 NZ LYS A 9 11.539 -8.165 -28.602 1.00 0.00 N ATOM 0 H LYS A 9 10.043 -3.976 -22.924 1.00 0.00 H new ATOM 0 HA LYS A 9 9.296 -5.961 -23.741 1.00 0.00 H new ATOM 0 HB2 LYS A 9 11.943 -6.137 -24.314 1.00 0.00 H new ATOM 0 HB3 LYS A 9 11.746 -7.521 -23.257 1.00 0.00 H new ATOM 0 HG2 LYS A 9 10.101 -8.524 -24.659 1.00 0.00 H new ATOM 0 HG3 LYS A 9 9.736 -7.016 -25.474 1.00 0.00 H new ATOM 0 HD2 LYS A 9 12.557 -7.627 -25.831 1.00 0.00 H new ATOM 0 HD3 LYS A 9 11.608 -9.033 -26.272 1.00 0.00 H new ATOM 0 HE2 LYS A 9 10.122 -7.066 -27.480 1.00 0.00 H new ATOM 0 HE3 LYS A 9 11.712 -6.333 -27.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 11.280 -7.698 -29.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 12.562 -8.353 -28.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 11.021 -9.063 -28.518 1.00 0.00 H new ATOM 133 N TYR A 10 10.639 -6.968 -20.911 1.00 0.00 N ATOM 134 CA TYR A 10 10.341 -7.650 -19.662 1.00 0.00 C ATOM 135 C TYR A 10 10.964 -6.915 -18.473 1.00 0.00 C ATOM 136 O TYR A 10 12.185 -6.812 -18.374 1.00 0.00 O ATOM 137 CB TYR A 10 10.979 -9.036 -19.778 1.00 0.00 C ATOM 138 CG TYR A 10 11.770 -9.252 -21.069 1.00 0.00 C ATOM 139 CD1 TYR A 10 13.068 -8.792 -21.168 1.00 0.00 C ATOM 140 CD2 TYR A 10 11.189 -9.906 -22.137 1.00 0.00 C ATOM 141 CE1 TYR A 10 13.814 -8.993 -22.383 1.00 0.00 C ATOM 142 CE2 TYR A 10 11.934 -10.108 -23.351 1.00 0.00 C ATOM 143 CZ TYR A 10 13.210 -9.642 -23.414 1.00 0.00 C ATOM 144 OH TYR A 10 13.914 -9.833 -24.562 1.00 0.00 O ATOM 0 H TYR A 10 11.603 -6.647 -21.003 1.00 0.00 H new ATOM 0 HA TYR A 10 9.265 -7.696 -19.497 1.00 0.00 H new ATOM 0 HB2 TYR A 10 11.643 -9.191 -18.927 1.00 0.00 H new ATOM 0 HB3 TYR A 10 10.196 -9.791 -19.713 1.00 0.00 H new ATOM 0 HD1 TYR A 10 13.524 -8.281 -20.333 1.00 0.00 H new ATOM 0 HD2 TYR A 10 10.174 -10.266 -22.061 1.00 0.00 H new ATOM 0 HE1 TYR A 10 14.830 -8.637 -22.473 1.00 0.00 H new ATOM 0 HE2 TYR A 10 11.490 -10.618 -24.193 1.00 0.00 H new ATOM 0 HH TYR A 10 13.357 -10.311 -25.211 1.00 0.00 H new ATOM 154 N TYR A 11 10.095 -6.423 -17.603 1.00 0.00 N ATOM 155 CA TYR A 11 10.544 -5.701 -16.425 1.00 0.00 C ATOM 156 C TYR A 11 9.913 -6.276 -15.155 1.00 0.00 C ATOM 157 O TYR A 11 8.997 -7.093 -15.229 1.00 0.00 O ATOM 158 CB TYR A 11 10.066 -4.258 -16.607 1.00 0.00 C ATOM 159 CG TYR A 11 11.193 -3.259 -16.870 1.00 0.00 C ATOM 160 CD1 TYR A 11 12.356 -3.674 -17.489 1.00 0.00 C ATOM 161 CD2 TYR A 11 11.050 -1.939 -16.488 1.00 0.00 C ATOM 162 CE1 TYR A 11 13.416 -2.733 -17.736 1.00 0.00 C ATOM 163 CE2 TYR A 11 12.111 -0.999 -16.735 1.00 0.00 C ATOM 164 CZ TYR A 11 13.242 -1.441 -17.346 1.00 0.00 C ATOM 165 OH TYR A 11 14.245 -0.552 -17.581 1.00 0.00 O ATOM 0 H TYR A 11 9.082 -6.510 -17.690 1.00 0.00 H new ATOM 0 HA TYR A 11 11.627 -5.774 -16.320 1.00 0.00 H new ATOM 0 HB2 TYR A 11 9.361 -4.222 -17.437 1.00 0.00 H new ATOM 0 HB3 TYR A 11 9.523 -3.950 -15.714 1.00 0.00 H new ATOM 0 HD1 TYR A 11 12.470 -4.706 -17.788 1.00 0.00 H new ATOM 0 HD2 TYR A 11 10.141 -1.613 -16.004 1.00 0.00 H new ATOM 0 HE1 TYR A 11 14.330 -3.045 -18.220 1.00 0.00 H new ATOM 0 HE2 TYR A 11 12.011 0.035 -16.441 1.00 0.00 H new ATOM 0 HH TYR A 11 13.982 0.333 -17.251 1.00 0.00 H new ATOM 175 N THR A 12 10.430 -5.828 -14.021 1.00 0.00 N ATOM 176 CA THR A 12 9.930 -6.289 -12.737 1.00 0.00 C ATOM 177 C THR A 12 9.079 -5.203 -12.076 1.00 0.00 C ATOM 178 O THR A 12 9.335 -4.013 -12.253 1.00 0.00 O ATOM 179 CB THR A 12 11.128 -6.720 -11.889 1.00 0.00 C ATOM 180 OG1 THR A 12 11.779 -5.496 -11.558 1.00 0.00 O ATOM 181 CG2 THR A 12 12.173 -7.490 -12.701 1.00 0.00 C ATOM 0 H THR A 12 11.190 -5.150 -13.964 1.00 0.00 H new ATOM 0 HA THR A 12 9.271 -7.149 -12.856 1.00 0.00 H new ATOM 0 HB THR A 12 10.782 -7.339 -11.061 1.00 0.00 H new ATOM 0 HG1 THR A 12 12.567 -5.683 -11.007 1.00 0.00 H new ATOM 0 HG21 THR A 12 13.002 -7.773 -12.052 1.00 0.00 H new ATOM 0 HG22 THR A 12 11.719 -8.387 -13.121 1.00 0.00 H new ATOM 0 HG23 THR A 12 12.543 -6.859 -13.509 1.00 0.00 H new ATOM 189 N LEU A 13 8.081 -5.653 -11.327 1.00 0.00 N ATOM 190 CA LEU A 13 7.191 -4.735 -10.638 1.00 0.00 C ATOM 191 C LEU A 13 8.009 -3.595 -10.029 1.00 0.00 C ATOM 192 O LEU A 13 7.569 -2.448 -10.015 1.00 0.00 O ATOM 193 CB LEU A 13 6.330 -5.485 -9.620 1.00 0.00 C ATOM 194 CG LEU A 13 4.949 -5.928 -10.107 1.00 0.00 C ATOM 195 CD1 LEU A 13 4.152 -6.581 -8.975 1.00 0.00 C ATOM 196 CD2 LEU A 13 4.190 -4.760 -10.741 1.00 0.00 C ATOM 0 H LEU A 13 7.870 -6.641 -11.183 1.00 0.00 H new ATOM 0 HA LEU A 13 6.492 -4.284 -11.342 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.878 -6.368 -9.291 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.198 -4.848 -8.746 1.00 0.00 H new ATOM 0 HG LEU A 13 5.086 -6.682 -10.882 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.174 -6.887 -9.348 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.690 -7.455 -8.608 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.023 -5.867 -8.162 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.212 -5.102 -11.079 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.063 -3.966 -10.005 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.754 -4.378 -11.592 1.00 0.00 H new ATOM 208 N GLU A 14 9.188 -3.951 -9.540 1.00 0.00 N ATOM 209 CA GLU A 14 10.073 -2.974 -8.932 1.00 0.00 C ATOM 210 C GLU A 14 10.538 -1.956 -9.975 1.00 0.00 C ATOM 211 O GLU A 14 10.499 -0.751 -9.732 1.00 0.00 O ATOM 212 CB GLU A 14 11.268 -3.658 -8.261 1.00 0.00 C ATOM 213 CG GLU A 14 11.241 -3.448 -6.747 1.00 0.00 C ATOM 214 CD GLU A 14 12.082 -4.507 -6.031 1.00 0.00 C ATOM 215 OE1 GLU A 14 13.313 -4.495 -6.247 1.00 0.00 O ATOM 216 OE2 GLU A 14 11.475 -5.306 -5.286 1.00 0.00 O ATOM 0 H GLU A 14 9.551 -4.904 -9.553 1.00 0.00 H new ATOM 0 HA GLU A 14 9.519 -2.443 -8.158 1.00 0.00 H new ATOM 0 HB2 GLU A 14 11.253 -4.725 -8.484 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.196 -3.260 -8.670 1.00 0.00 H new ATOM 0 HG2 GLU A 14 11.620 -2.455 -6.507 1.00 0.00 H new ATOM 0 HG3 GLU A 14 10.213 -3.492 -6.389 1.00 0.00 H new ATOM 223 N GLU A 15 10.968 -2.479 -11.114 1.00 0.00 N ATOM 224 CA GLU A 15 11.438 -1.631 -12.196 1.00 0.00 C ATOM 225 C GLU A 15 10.356 -0.625 -12.593 1.00 0.00 C ATOM 226 O GLU A 15 10.657 0.526 -12.903 1.00 0.00 O ATOM 227 CB GLU A 15 11.877 -2.469 -13.398 1.00 0.00 C ATOM 228 CG GLU A 15 13.057 -3.373 -13.036 1.00 0.00 C ATOM 229 CD GLU A 15 14.342 -2.894 -13.713 1.00 0.00 C ATOM 230 OE1 GLU A 15 14.404 -3.001 -14.957 1.00 0.00 O ATOM 231 OE2 GLU A 15 15.236 -2.432 -12.970 1.00 0.00 O ATOM 0 H GLU A 15 11.001 -3.479 -11.311 1.00 0.00 H new ATOM 0 HA GLU A 15 12.308 -1.077 -11.844 1.00 0.00 H new ATOM 0 HB2 GLU A 15 11.042 -3.077 -13.746 1.00 0.00 H new ATOM 0 HB3 GLU A 15 12.157 -1.812 -14.221 1.00 0.00 H new ATOM 0 HG2 GLU A 15 13.193 -3.383 -11.955 1.00 0.00 H new ATOM 0 HG3 GLU A 15 12.842 -4.397 -13.340 1.00 0.00 H new ATOM 238 N ILE A 16 9.118 -1.098 -12.571 1.00 0.00 N ATOM 239 CA ILE A 16 7.989 -0.255 -12.924 1.00 0.00 C ATOM 240 C ILE A 16 7.723 0.736 -11.791 1.00 0.00 C ATOM 241 O ILE A 16 7.298 1.864 -12.033 1.00 0.00 O ATOM 242 CB ILE A 16 6.775 -1.111 -13.292 1.00 0.00 C ATOM 243 CG1 ILE A 16 7.180 -2.275 -14.198 1.00 0.00 C ATOM 244 CG2 ILE A 16 5.670 -0.257 -13.915 1.00 0.00 C ATOM 245 CD1 ILE A 16 6.643 -3.603 -13.658 1.00 0.00 C ATOM 0 H ILE A 16 8.873 -2.054 -12.314 1.00 0.00 H new ATOM 0 HA ILE A 16 8.216 0.333 -13.813 1.00 0.00 H new ATOM 0 HB ILE A 16 6.370 -1.542 -12.376 1.00 0.00 H new ATOM 0 HG12 ILE A 16 6.798 -2.107 -15.205 1.00 0.00 H new ATOM 0 HG13 ILE A 16 8.266 -2.321 -14.273 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.819 -0.890 -14.167 1.00 0.00 H new ATOM 0 HG22 ILE A 16 5.356 0.507 -13.204 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.046 0.222 -14.819 1.00 0.00 H new ATOM 0 HD11 ILE A 16 6.945 -4.414 -14.321 1.00 0.00 H new ATOM 0 HD12 ILE A 16 7.046 -3.780 -12.661 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.555 -3.562 -13.608 1.00 0.00 H new ATOM 257 N GLN A 17 7.983 0.277 -10.574 1.00 0.00 N ATOM 258 CA GLN A 17 7.776 1.109 -9.400 1.00 0.00 C ATOM 259 C GLN A 17 8.713 2.319 -9.435 1.00 0.00 C ATOM 260 O GLN A 17 8.365 3.392 -8.946 1.00 0.00 O ATOM 261 CB GLN A 17 7.969 0.303 -8.116 1.00 0.00 C ATOM 262 CG GLN A 17 6.968 0.733 -7.042 1.00 0.00 C ATOM 263 CD GLN A 17 7.688 1.291 -5.812 1.00 0.00 C ATOM 264 OE1 GLN A 17 8.634 0.716 -5.301 1.00 0.00 O ATOM 265 NE2 GLN A 17 7.186 2.440 -5.368 1.00 0.00 N ATOM 0 H GLN A 17 8.335 -0.660 -10.376 1.00 0.00 H new ATOM 0 HA GLN A 17 6.748 1.470 -9.411 1.00 0.00 H new ATOM 0 HB2 GLN A 17 7.847 -0.759 -8.328 1.00 0.00 H new ATOM 0 HB3 GLN A 17 8.985 0.439 -7.746 1.00 0.00 H new ATOM 0 HG2 GLN A 17 6.296 1.489 -7.448 1.00 0.00 H new ATOM 0 HG3 GLN A 17 6.352 -0.118 -6.752 1.00 0.00 H new ATOM 0 HE21 GLN A 17 6.392 2.867 -5.844 1.00 0.00 H new ATOM 0 HE22 GLN A 17 7.595 2.894 -4.551 1.00 0.00 H new ATOM 274 N LYS A 18 9.884 2.104 -10.019 1.00 0.00 N ATOM 275 CA LYS A 18 10.873 3.162 -10.123 1.00 0.00 C ATOM 276 C LYS A 18 10.383 4.215 -11.121 1.00 0.00 C ATOM 277 O LYS A 18 10.677 5.400 -10.972 1.00 0.00 O ATOM 278 CB LYS A 18 12.246 2.580 -10.468 1.00 0.00 C ATOM 279 CG LYS A 18 12.648 1.495 -9.467 1.00 0.00 C ATOM 280 CD LYS A 18 13.221 2.113 -8.190 1.00 0.00 C ATOM 281 CE LYS A 18 14.510 2.884 -8.484 1.00 0.00 C ATOM 282 NZ LYS A 18 15.231 3.186 -7.228 1.00 0.00 N ATOM 0 H LYS A 18 10.169 1.212 -10.425 1.00 0.00 H new ATOM 0 HA LYS A 18 10.997 3.664 -9.163 1.00 0.00 H new ATOM 0 HB2 LYS A 18 12.225 2.162 -11.474 1.00 0.00 H new ATOM 0 HB3 LYS A 18 12.992 3.374 -10.468 1.00 0.00 H new ATOM 0 HG2 LYS A 18 11.781 0.882 -9.221 1.00 0.00 H new ATOM 0 HG3 LYS A 18 13.387 0.834 -9.919 1.00 0.00 H new ATOM 0 HD2 LYS A 18 12.486 2.783 -7.745 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.421 1.329 -7.460 1.00 0.00 H new ATOM 0 HE2 LYS A 18 15.149 2.298 -9.145 1.00 0.00 H new ATOM 0 HE3 LYS A 18 14.275 3.811 -9.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 16.103 3.709 -7.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 14.626 3.764 -6.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 15.472 2.298 -6.744 1.00 0.00 H new ATOM 296 N HIS A 19 9.644 3.744 -12.114 1.00 0.00 N ATOM 297 CA HIS A 19 9.111 4.631 -13.135 1.00 0.00 C ATOM 298 C HIS A 19 7.716 5.107 -12.724 1.00 0.00 C ATOM 299 O HIS A 19 6.716 4.476 -13.065 1.00 0.00 O ATOM 300 CB HIS A 19 9.127 3.951 -14.506 1.00 0.00 C ATOM 301 CG HIS A 19 10.479 3.945 -15.175 1.00 0.00 C ATOM 302 ND1 HIS A 19 10.685 4.429 -16.455 1.00 0.00 N ATOM 303 CD2 HIS A 19 11.693 3.512 -14.726 1.00 0.00 C ATOM 304 CE1 HIS A 19 11.969 4.287 -16.754 1.00 0.00 C ATOM 305 NE2 HIS A 19 12.592 3.717 -15.682 1.00 0.00 N ATOM 0 H HIS A 19 9.401 2.761 -12.234 1.00 0.00 H new ATOM 0 HA HIS A 19 9.745 5.513 -13.224 1.00 0.00 H new ATOM 0 HB2 HIS A 19 8.785 2.922 -14.393 1.00 0.00 H new ATOM 0 HB3 HIS A 19 8.413 4.455 -15.158 1.00 0.00 H new ATOM 0 HD1 HIS A 19 9.971 4.827 -17.065 1.00 0.00 H new ATOM 0 HD2 HIS A 19 11.889 3.076 -13.757 1.00 0.00 H new ATOM 0 HE1 HIS A 19 12.439 4.572 -17.683 1.00 0.00 H new ATOM 314 N ASN A 20 7.695 6.214 -11.996 1.00 0.00 N ATOM 315 CA ASN A 20 6.438 6.782 -11.536 1.00 0.00 C ATOM 316 C ASN A 20 6.491 8.304 -11.675 1.00 0.00 C ATOM 317 O ASN A 20 5.748 9.019 -11.004 1.00 0.00 O ATOM 318 CB ASN A 20 6.192 6.450 -10.063 1.00 0.00 C ATOM 319 CG ASN A 20 4.971 7.200 -9.529 1.00 0.00 C ATOM 320 OD1 ASN A 20 4.000 7.359 -10.424 1.00 0.00 O flip ATOM 321 ND2 ASN A 20 4.913 7.607 -8.380 1.00 0.00 N flip ATOM 0 H ASN A 20 8.527 6.732 -11.713 1.00 0.00 H new ATOM 0 HA ASN A 20 5.635 6.360 -12.140 1.00 0.00 H new ATOM 0 HB2 ASN A 20 6.043 5.376 -9.949 1.00 0.00 H new ATOM 0 HB3 ASN A 20 7.071 6.714 -9.475 1.00 0.00 H new ATOM 0 HD21 ASN A 20 5.695 7.451 -7.744 1.00 0.00 H new ATOM 0 HD22 ASN A 20 4.083 8.103 -8.056 1.00 0.00 H new ATOM 328 N ASN A 21 7.377 8.757 -12.551 1.00 0.00 N ATOM 329 CA ASN A 21 7.535 10.182 -12.786 1.00 0.00 C ATOM 330 C ASN A 21 6.946 10.537 -14.153 1.00 0.00 C ATOM 331 O ASN A 21 6.741 9.662 -14.991 1.00 0.00 O ATOM 332 CB ASN A 21 9.014 10.578 -12.792 1.00 0.00 C ATOM 333 CG ASN A 21 9.672 10.257 -11.449 1.00 0.00 C ATOM 334 OD1 ASN A 21 9.051 10.290 -10.400 1.00 0.00 O ATOM 335 ND2 ASN A 21 10.963 9.944 -11.540 1.00 0.00 N ATOM 0 H ASN A 21 7.992 8.162 -13.106 1.00 0.00 H new ATOM 0 HA ASN A 21 7.021 10.715 -11.986 1.00 0.00 H new ATOM 0 HB2 ASN A 21 9.533 10.049 -13.591 1.00 0.00 H new ATOM 0 HB3 ASN A 21 9.108 11.643 -13.002 1.00 0.00 H new ATOM 0 HD21 ASN A 21 11.492 9.713 -10.699 1.00 0.00 H new ATOM 0 HD22 ASN A 21 11.423 9.935 -12.450 1.00 0.00 H new ATOM 342 N SER A 22 6.689 11.824 -14.334 1.00 0.00 N ATOM 343 CA SER A 22 6.127 12.307 -15.584 1.00 0.00 C ATOM 344 C SER A 22 7.139 12.123 -16.718 1.00 0.00 C ATOM 345 O SER A 22 6.811 12.330 -17.885 1.00 0.00 O ATOM 346 CB SER A 22 5.716 13.775 -15.473 1.00 0.00 C ATOM 347 OG SER A 22 6.842 14.636 -15.314 1.00 0.00 O ATOM 0 H SER A 22 6.860 12.548 -13.636 1.00 0.00 H new ATOM 0 HA SER A 22 5.233 11.724 -15.805 1.00 0.00 H new ATOM 0 HB2 SER A 22 5.162 14.065 -16.366 1.00 0.00 H new ATOM 0 HB3 SER A 22 5.042 13.899 -14.625 1.00 0.00 H new ATOM 0 HG SER A 22 6.537 15.565 -15.249 1.00 0.00 H new ATOM 353 N LYS A 23 8.346 11.737 -16.334 1.00 0.00 N ATOM 354 CA LYS A 23 9.407 11.523 -17.304 1.00 0.00 C ATOM 355 C LYS A 23 9.619 10.021 -17.499 1.00 0.00 C ATOM 356 O LYS A 23 10.218 9.598 -18.487 1.00 0.00 O ATOM 357 CB LYS A 23 10.674 12.274 -16.886 1.00 0.00 C ATOM 358 CG LYS A 23 11.227 13.102 -18.046 1.00 0.00 C ATOM 359 CD LYS A 23 12.538 13.787 -17.656 1.00 0.00 C ATOM 360 CE LYS A 23 13.630 13.515 -18.693 1.00 0.00 C ATOM 361 NZ LYS A 23 14.269 14.780 -19.118 1.00 0.00 N ATOM 0 H LYS A 23 8.614 11.567 -15.365 1.00 0.00 H new ATOM 0 HA LYS A 23 9.125 11.934 -18.274 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.452 12.927 -16.042 1.00 0.00 H new ATOM 0 HB3 LYS A 23 11.429 11.563 -16.550 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.392 12.459 -18.910 1.00 0.00 H new ATOM 0 HG3 LYS A 23 10.495 13.853 -18.343 1.00 0.00 H new ATOM 0 HD2 LYS A 23 12.378 14.861 -17.565 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.862 13.429 -16.679 1.00 0.00 H new ATOM 0 HE2 LYS A 23 14.380 12.845 -18.272 1.00 0.00 H new ATOM 0 HE3 LYS A 23 13.200 13.009 -19.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 15.007 14.577 -19.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 13.553 15.406 -19.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 14.696 15.247 -18.293 1.00 0.00 H new ATOM 375 N SER A 24 9.116 9.255 -16.541 1.00 0.00 N ATOM 376 CA SER A 24 9.243 7.809 -16.597 1.00 0.00 C ATOM 377 C SER A 24 8.128 7.155 -15.776 1.00 0.00 C ATOM 378 O SER A 24 8.373 6.650 -14.682 1.00 0.00 O ATOM 379 CB SER A 24 10.612 7.356 -16.087 1.00 0.00 C ATOM 380 OG SER A 24 11.438 6.867 -17.139 1.00 0.00 O ATOM 0 H SER A 24 8.620 9.609 -15.723 1.00 0.00 H new ATOM 0 HA SER A 24 9.152 7.497 -17.637 1.00 0.00 H new ATOM 0 HB2 SER A 24 11.110 8.191 -15.594 1.00 0.00 H new ATOM 0 HB3 SER A 24 10.480 6.576 -15.337 1.00 0.00 H new ATOM 0 HG SER A 24 12.379 7.036 -16.922 1.00 0.00 H new ATOM 386 N THR A 25 6.928 7.187 -16.337 1.00 0.00 N ATOM 387 CA THR A 25 5.776 6.604 -15.672 1.00 0.00 C ATOM 388 C THR A 25 5.401 5.272 -16.324 1.00 0.00 C ATOM 389 O THR A 25 4.699 5.247 -17.335 1.00 0.00 O ATOM 390 CB THR A 25 4.644 7.633 -15.697 1.00 0.00 C ATOM 391 OG1 THR A 25 5.162 8.699 -16.488 1.00 0.00 O ATOM 392 CG2 THR A 25 4.400 8.268 -14.327 1.00 0.00 C ATOM 0 H THR A 25 6.729 7.608 -17.245 1.00 0.00 H new ATOM 0 HA THR A 25 5.998 6.369 -14.631 1.00 0.00 H new ATOM 0 HB THR A 25 3.727 7.156 -16.044 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.690 9.300 -15.922 1.00 0.00 H new ATOM 0 HG21 THR A 25 3.587 8.990 -14.400 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.133 7.493 -13.609 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.306 8.774 -13.994 1.00 0.00 H new ATOM 400 N TRP A 26 5.884 4.196 -15.721 1.00 0.00 N ATOM 401 CA TRP A 26 5.608 2.864 -16.231 1.00 0.00 C ATOM 402 C TRP A 26 4.571 2.213 -15.314 1.00 0.00 C ATOM 403 O TRP A 26 4.613 2.391 -14.098 1.00 0.00 O ATOM 404 CB TRP A 26 6.896 2.046 -16.353 1.00 0.00 C ATOM 405 CG TRP A 26 7.903 2.617 -17.353 1.00 0.00 C ATOM 406 CD1 TRP A 26 8.000 3.877 -17.798 1.00 0.00 C ATOM 407 CD2 TRP A 26 8.958 1.893 -18.018 1.00 0.00 C ATOM 408 NE1 TRP A 26 9.036 4.017 -18.698 1.00 0.00 N ATOM 409 CE2 TRP A 26 9.638 2.771 -18.836 1.00 0.00 C ATOM 410 CE3 TRP A 26 9.328 0.539 -17.931 1.00 0.00 C ATOM 411 CZ2 TRP A 26 10.727 2.395 -19.629 1.00 0.00 C ATOM 412 CZ3 TRP A 26 10.419 0.177 -18.732 1.00 0.00 C ATOM 413 CH2 TRP A 26 11.113 1.051 -19.560 1.00 0.00 C ATOM 0 H TRP A 26 6.465 4.220 -14.883 1.00 0.00 H new ATOM 0 HA TRP A 26 5.198 2.914 -17.240 1.00 0.00 H new ATOM 0 HB2 TRP A 26 7.369 1.983 -15.373 1.00 0.00 H new ATOM 0 HB3 TRP A 26 6.641 1.029 -16.650 1.00 0.00 H new ATOM 0 HD1 TRP A 26 7.349 4.682 -17.491 1.00 0.00 H new ATOM 0 HE1 TRP A 26 9.310 4.876 -19.175 1.00 0.00 H new ATOM 0 HE3 TRP A 26 8.812 -0.166 -17.297 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 11.242 3.103 -20.261 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 10.743 -0.853 -18.704 1.00 0.00 H new ATOM 0 HH2 TRP A 26 11.946 0.695 -20.148 1.00 0.00 H new ATOM 424 N LEU A 27 3.663 1.471 -15.933 1.00 0.00 N ATOM 425 CA LEU A 27 2.617 0.792 -15.188 1.00 0.00 C ATOM 426 C LEU A 27 2.315 -0.553 -15.853 1.00 0.00 C ATOM 427 O LEU A 27 2.752 -0.809 -16.972 1.00 0.00 O ATOM 428 CB LEU A 27 1.390 1.696 -15.045 1.00 0.00 C ATOM 429 CG LEU A 27 0.358 1.610 -16.172 1.00 0.00 C ATOM 430 CD1 LEU A 27 1.041 1.573 -17.540 1.00 0.00 C ATOM 431 CD2 LEU A 27 -0.579 0.418 -15.965 1.00 0.00 C ATOM 0 H LEU A 27 3.631 1.326 -16.942 1.00 0.00 H new ATOM 0 HA LEU A 27 2.949 0.579 -14.172 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.893 1.455 -14.105 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.731 2.729 -14.969 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.255 2.511 -16.144 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.285 1.512 -18.323 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.632 2.479 -17.676 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.694 0.702 -17.597 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.303 0.379 -16.779 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.002 -0.504 -15.952 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.105 0.529 -15.017 1.00 0.00 H new ATOM 443 N ILE A 28 1.570 -1.377 -15.131 1.00 0.00 N ATOM 444 CA ILE A 28 1.205 -2.691 -15.635 1.00 0.00 C ATOM 445 C ILE A 28 -0.283 -2.699 -15.994 1.00 0.00 C ATOM 446 O ILE A 28 -1.116 -2.250 -15.210 1.00 0.00 O ATOM 447 CB ILE A 28 1.603 -3.779 -14.636 1.00 0.00 C ATOM 448 CG1 ILE A 28 2.674 -3.270 -13.669 1.00 0.00 C ATOM 449 CG2 ILE A 28 2.043 -5.054 -15.359 1.00 0.00 C ATOM 450 CD1 ILE A 28 3.976 -2.955 -14.409 1.00 0.00 C ATOM 0 H ILE A 28 1.209 -1.161 -14.202 1.00 0.00 H new ATOM 0 HA ILE A 28 1.755 -2.915 -16.549 1.00 0.00 H new ATOM 0 HB ILE A 28 0.726 -4.033 -14.041 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.315 -2.375 -13.161 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.861 -4.020 -12.900 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.320 -5.811 -14.625 1.00 0.00 H new ATOM 0 HG22 ILE A 28 1.222 -5.426 -15.972 1.00 0.00 H new ATOM 0 HG23 ILE A 28 2.900 -4.834 -15.995 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.720 -2.595 -13.699 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.345 -3.858 -14.896 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.791 -2.187 -15.161 1.00 0.00 H new ATOM 462 N LEU A 29 -0.569 -3.216 -17.180 1.00 0.00 N ATOM 463 CA LEU A 29 -1.941 -3.290 -17.652 1.00 0.00 C ATOM 464 C LEU A 29 -2.211 -4.690 -18.207 1.00 0.00 C ATOM 465 O LEU A 29 -1.652 -5.073 -19.234 1.00 0.00 O ATOM 466 CB LEU A 29 -2.225 -2.167 -18.652 1.00 0.00 C ATOM 467 CG LEU A 29 -3.559 -1.438 -18.482 1.00 0.00 C ATOM 468 CD1 LEU A 29 -4.069 -0.909 -19.825 1.00 0.00 C ATOM 469 CD2 LEU A 29 -4.588 -2.333 -17.789 1.00 0.00 C ATOM 0 H LEU A 29 0.126 -3.587 -17.828 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.636 -3.135 -16.827 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.422 -1.434 -18.582 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.188 -2.585 -19.658 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.398 -0.575 -17.836 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.019 -0.395 -19.677 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.341 -0.213 -20.242 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.211 -1.742 -20.514 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.527 -1.791 -17.680 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.753 -3.229 -18.388 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -4.218 -2.618 -16.804 1.00 0.00 H new ATOM 481 N HIS A 30 -3.068 -5.416 -17.503 1.00 0.00 N ATOM 482 CA HIS A 30 -3.419 -6.765 -17.912 1.00 0.00 C ATOM 483 C HIS A 30 -2.267 -7.716 -17.584 1.00 0.00 C ATOM 484 O HIS A 30 -2.495 -8.866 -17.212 1.00 0.00 O ATOM 485 CB HIS A 30 -3.813 -6.800 -19.390 1.00 0.00 C ATOM 486 CG HIS A 30 -4.543 -8.055 -19.802 1.00 0.00 C ATOM 487 ND1 HIS A 30 -3.938 -9.299 -19.834 1.00 0.00 N ATOM 488 CD2 HIS A 30 -5.836 -8.245 -20.196 1.00 0.00 C ATOM 489 CE1 HIS A 30 -4.833 -10.190 -20.233 1.00 0.00 C ATOM 490 NE2 HIS A 30 -6.008 -9.535 -20.458 1.00 0.00 N ATOM 0 H HIS A 30 -3.529 -5.095 -16.652 1.00 0.00 H new ATOM 0 HA HIS A 30 -4.293 -7.102 -17.355 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -4.443 -5.938 -19.608 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -2.914 -6.699 -19.998 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -6.590 -7.477 -20.280 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -4.662 -11.249 -20.358 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -6.876 -9.966 -20.775 1.00 0.00 H new ATOM 499 N TYR A 31 -1.055 -7.202 -17.734 1.00 0.00 N ATOM 500 CA TYR A 31 0.133 -7.991 -17.457 1.00 0.00 C ATOM 501 C TYR A 31 1.356 -7.407 -18.166 1.00 0.00 C ATOM 502 O TYR A 31 2.488 -7.794 -17.879 1.00 0.00 O ATOM 503 CB TYR A 31 -0.148 -9.388 -18.019 1.00 0.00 C ATOM 504 CG TYR A 31 1.096 -10.111 -18.537 1.00 0.00 C ATOM 505 CD1 TYR A 31 2.114 -10.445 -17.665 1.00 0.00 C ATOM 506 CD2 TYR A 31 1.202 -10.432 -19.876 1.00 0.00 C ATOM 507 CE1 TYR A 31 3.284 -11.126 -18.153 1.00 0.00 C ATOM 508 CE2 TYR A 31 2.371 -11.113 -20.363 1.00 0.00 C ATOM 509 CZ TYR A 31 3.357 -11.428 -19.477 1.00 0.00 C ATOM 510 OH TYR A 31 4.461 -12.071 -19.938 1.00 0.00 O ATOM 0 H TYR A 31 -0.870 -6.248 -18.044 1.00 0.00 H new ATOM 0 HA TYR A 31 0.344 -8.005 -16.388 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -0.611 -9.995 -17.241 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -0.871 -9.304 -18.830 1.00 0.00 H new ATOM 0 HD1 TYR A 31 2.032 -10.195 -16.618 1.00 0.00 H new ATOM 0 HD2 TYR A 31 0.406 -10.171 -20.558 1.00 0.00 H new ATOM 0 HE1 TYR A 31 4.087 -11.392 -17.482 1.00 0.00 H new ATOM 0 HE2 TYR A 31 2.465 -11.369 -21.408 1.00 0.00 H new ATOM 0 HH TYR A 31 4.373 -12.222 -20.902 1.00 0.00 H new ATOM 520 N LYS A 32 1.088 -6.483 -19.077 1.00 0.00 N ATOM 521 CA LYS A 32 2.153 -5.841 -19.828 1.00 0.00 C ATOM 522 C LYS A 32 2.491 -4.497 -19.179 1.00 0.00 C ATOM 523 O LYS A 32 1.723 -3.986 -18.366 1.00 0.00 O ATOM 524 CB LYS A 32 1.776 -5.733 -21.307 1.00 0.00 C ATOM 525 CG LYS A 32 1.385 -7.098 -21.875 1.00 0.00 C ATOM 526 CD LYS A 32 -0.018 -7.058 -22.483 1.00 0.00 C ATOM 527 CE LYS A 32 0.025 -7.362 -23.982 1.00 0.00 C ATOM 528 NZ LYS A 32 -1.317 -7.194 -24.583 1.00 0.00 N ATOM 0 H LYS A 32 0.148 -6.164 -19.312 1.00 0.00 H new ATOM 0 HA LYS A 32 3.059 -6.446 -19.798 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.947 -5.035 -21.424 1.00 0.00 H new ATOM 0 HB3 LYS A 32 2.616 -5.328 -21.871 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.106 -7.400 -22.635 1.00 0.00 H new ATOM 0 HG3 LYS A 32 1.422 -7.848 -21.085 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -0.657 -7.783 -21.979 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -0.461 -6.075 -22.320 1.00 0.00 H new ATOM 0 HE2 LYS A 32 0.736 -6.698 -24.474 1.00 0.00 H new ATOM 0 HE3 LYS A 32 0.377 -8.381 -24.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -1.270 -7.404 -25.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -1.986 -7.845 -24.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -1.639 -6.214 -24.446 1.00 0.00 H new ATOM 542 N VAL A 33 3.642 -3.964 -19.563 1.00 0.00 N ATOM 543 CA VAL A 33 4.090 -2.689 -19.028 1.00 0.00 C ATOM 544 C VAL A 33 3.979 -1.617 -20.116 1.00 0.00 C ATOM 545 O VAL A 33 4.458 -1.810 -21.232 1.00 0.00 O ATOM 546 CB VAL A 33 5.507 -2.826 -18.466 1.00 0.00 C ATOM 547 CG1 VAL A 33 6.063 -1.465 -18.043 1.00 0.00 C ATOM 548 CG2 VAL A 33 5.540 -3.819 -17.303 1.00 0.00 C ATOM 0 H VAL A 33 4.277 -4.391 -20.237 1.00 0.00 H new ATOM 0 HA VAL A 33 3.455 -2.378 -18.199 1.00 0.00 H new ATOM 0 HB VAL A 33 6.146 -3.216 -19.258 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.071 -1.591 -17.647 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.092 -0.800 -18.906 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.422 -1.033 -17.274 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.558 -3.899 -16.921 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.881 -3.470 -16.508 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.205 -4.797 -17.650 1.00 0.00 H new ATOM 558 N TYR A 34 3.346 -0.513 -19.751 1.00 0.00 N ATOM 559 CA TYR A 34 3.166 0.589 -20.681 1.00 0.00 C ATOM 560 C TYR A 34 3.799 1.872 -20.138 1.00 0.00 C ATOM 561 O TYR A 34 3.991 2.013 -18.933 1.00 0.00 O ATOM 562 CB TYR A 34 1.655 0.794 -20.806 1.00 0.00 C ATOM 563 CG TYR A 34 0.874 -0.493 -21.086 1.00 0.00 C ATOM 564 CD1 TYR A 34 0.822 -1.489 -20.133 1.00 0.00 C ATOM 565 CD2 TYR A 34 0.224 -0.654 -22.292 1.00 0.00 C ATOM 566 CE1 TYR A 34 0.087 -2.699 -20.397 1.00 0.00 C ATOM 567 CE2 TYR A 34 -0.512 -1.865 -22.556 1.00 0.00 C ATOM 568 CZ TYR A 34 -0.544 -2.827 -21.596 1.00 0.00 C ATOM 569 OH TYR A 34 -1.238 -3.970 -21.846 1.00 0.00 O ATOM 0 H TYR A 34 2.951 -0.357 -18.824 1.00 0.00 H new ATOM 0 HA TYR A 34 3.638 0.365 -21.638 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.282 1.240 -19.884 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.460 1.507 -21.607 1.00 0.00 H new ATOM 0 HD1 TYR A 34 1.332 -1.361 -19.190 1.00 0.00 H new ATOM 0 HD2 TYR A 34 0.266 0.126 -23.037 1.00 0.00 H new ATOM 0 HE1 TYR A 34 0.038 -3.487 -19.660 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -1.026 -2.005 -23.495 1.00 0.00 H new ATOM 0 HH TYR A 34 -1.430 -4.428 -21.001 1.00 0.00 H new ATOM 579 N ASP A 35 4.107 2.775 -21.059 1.00 0.00 N ATOM 580 CA ASP A 35 4.715 4.042 -20.689 1.00 0.00 C ATOM 581 C ASP A 35 3.627 5.115 -20.591 1.00 0.00 C ATOM 582 O ASP A 35 3.301 5.764 -21.584 1.00 0.00 O ATOM 583 CB ASP A 35 5.732 4.493 -21.738 1.00 0.00 C ATOM 584 CG ASP A 35 7.163 4.659 -21.223 1.00 0.00 C ATOM 585 OD1 ASP A 35 7.312 5.301 -20.160 1.00 0.00 O ATOM 586 OD2 ASP A 35 8.075 4.142 -21.903 1.00 0.00 O ATOM 0 H ASP A 35 3.947 2.654 -22.059 1.00 0.00 H new ATOM 0 HA ASP A 35 5.221 3.907 -19.733 1.00 0.00 H new ATOM 0 HB2 ASP A 35 5.737 3.768 -22.552 1.00 0.00 H new ATOM 0 HB3 ASP A 35 5.401 5.443 -22.158 1.00 0.00 H new ATOM 591 N LEU A 36 3.098 5.269 -19.386 1.00 0.00 N ATOM 592 CA LEU A 36 2.056 6.252 -19.147 1.00 0.00 C ATOM 593 C LEU A 36 2.590 7.646 -19.480 1.00 0.00 C ATOM 594 O LEU A 36 1.821 8.545 -19.820 1.00 0.00 O ATOM 595 CB LEU A 36 1.516 6.125 -17.722 1.00 0.00 C ATOM 596 CG LEU A 36 0.765 4.830 -17.402 1.00 0.00 C ATOM 597 CD1 LEU A 36 -0.036 4.967 -16.105 1.00 0.00 C ATOM 598 CD2 LEU A 36 -0.114 4.402 -18.578 1.00 0.00 C ATOM 0 H LEU A 36 3.372 4.729 -18.565 1.00 0.00 H new ATOM 0 HA LEU A 36 1.204 6.071 -19.803 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.352 6.218 -17.028 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.849 6.965 -17.531 1.00 0.00 H new ATOM 0 HG LEU A 36 1.498 4.039 -17.244 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.560 4.033 -15.901 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.641 5.191 -15.281 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.761 5.775 -16.208 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.637 3.480 -18.325 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.842 5.185 -18.792 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.509 4.236 -19.457 1.00 0.00 H new ATOM 610 N THR A 37 3.902 7.784 -19.373 1.00 0.00 N ATOM 611 CA THR A 37 4.549 9.055 -19.657 1.00 0.00 C ATOM 612 C THR A 37 3.993 9.657 -20.951 1.00 0.00 C ATOM 613 O THR A 37 4.059 10.868 -21.155 1.00 0.00 O ATOM 614 CB THR A 37 6.059 8.818 -19.698 1.00 0.00 C ATOM 615 OG1 THR A 37 6.503 9.192 -18.397 1.00 0.00 O ATOM 616 CG2 THR A 37 6.780 9.793 -20.632 1.00 0.00 C ATOM 0 H THR A 37 4.537 7.036 -19.093 1.00 0.00 H new ATOM 0 HA THR A 37 4.342 9.788 -18.877 1.00 0.00 H new ATOM 0 HB THR A 37 6.258 7.795 -20.018 1.00 0.00 H new ATOM 0 HG1 THR A 37 5.746 9.172 -17.775 1.00 0.00 H new ATOM 0 HG21 THR A 37 7.849 9.581 -20.624 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.395 9.678 -21.645 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.610 10.815 -20.293 1.00 0.00 H new ATOM 624 N LYS A 38 3.458 8.782 -21.790 1.00 0.00 N ATOM 625 CA LYS A 38 2.892 9.213 -23.058 1.00 0.00 C ATOM 626 C LYS A 38 1.393 9.462 -22.883 1.00 0.00 C ATOM 627 O LYS A 38 0.851 10.419 -23.433 1.00 0.00 O ATOM 628 CB LYS A 38 3.223 8.206 -24.161 1.00 0.00 C ATOM 629 CG LYS A 38 4.487 8.618 -24.918 1.00 0.00 C ATOM 630 CD LYS A 38 4.141 9.171 -26.302 1.00 0.00 C ATOM 631 CE LYS A 38 4.073 10.700 -26.280 1.00 0.00 C ATOM 632 NZ LYS A 38 2.948 11.180 -27.114 1.00 0.00 N ATOM 0 H LYS A 38 3.404 7.778 -21.617 1.00 0.00 H new ATOM 0 HA LYS A 38 3.338 10.156 -23.374 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.362 7.217 -23.725 1.00 0.00 H new ATOM 0 HB3 LYS A 38 2.386 8.134 -24.856 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.028 9.372 -24.346 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.150 7.759 -25.021 1.00 0.00 H new ATOM 0 HD2 LYS A 38 4.890 8.847 -27.025 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.184 8.765 -26.631 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.949 11.050 -25.255 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.010 11.117 -26.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.916 12.219 -27.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.083 10.862 -28.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.054 10.797 -26.745 1.00 0.00 H new ATOM 646 N PHE A 39 0.765 8.583 -22.115 1.00 0.00 N ATOM 647 CA PHE A 39 -0.661 8.697 -21.860 1.00 0.00 C ATOM 648 C PHE A 39 -0.966 9.901 -20.967 1.00 0.00 C ATOM 649 O PHE A 39 -2.127 10.243 -20.754 1.00 0.00 O ATOM 650 CB PHE A 39 -1.089 7.419 -21.136 1.00 0.00 C ATOM 651 CG PHE A 39 -1.627 6.329 -22.064 1.00 0.00 C ATOM 652 CD1 PHE A 39 -2.795 6.522 -22.735 1.00 0.00 C ATOM 653 CD2 PHE A 39 -0.940 5.165 -22.217 1.00 0.00 C ATOM 654 CE1 PHE A 39 -3.294 5.509 -23.597 1.00 0.00 C ATOM 655 CE2 PHE A 39 -1.439 4.154 -23.078 1.00 0.00 C ATOM 656 CZ PHE A 39 -2.607 4.346 -23.750 1.00 0.00 C ATOM 0 H PHE A 39 1.218 7.789 -21.661 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.196 8.832 -22.800 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -0.236 7.024 -20.584 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -1.856 7.669 -20.403 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -3.342 7.445 -22.612 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -0.014 5.010 -21.683 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -4.220 5.663 -24.131 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -0.892 3.231 -23.200 1.00 0.00 H new ATOM 0 HZ PHE A 39 -2.987 3.575 -24.404 1.00 0.00 H new ATOM 666 N LEU A 40 0.100 10.512 -20.470 1.00 0.00 N ATOM 667 CA LEU A 40 -0.038 11.671 -19.605 1.00 0.00 C ATOM 668 C LEU A 40 -0.426 12.888 -20.448 1.00 0.00 C ATOM 669 O LEU A 40 -0.362 14.021 -19.975 1.00 0.00 O ATOM 670 CB LEU A 40 1.232 11.876 -18.777 1.00 0.00 C ATOM 671 CG LEU A 40 1.122 11.549 -17.287 1.00 0.00 C ATOM 672 CD1 LEU A 40 1.471 10.084 -17.020 1.00 0.00 C ATOM 673 CD2 LEU A 40 1.977 12.504 -16.450 1.00 0.00 C ATOM 0 H LEU A 40 1.062 10.226 -20.650 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.839 11.514 -18.883 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.024 11.262 -19.206 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.544 12.915 -18.878 1.00 0.00 H new ATOM 0 HG LEU A 40 0.086 11.694 -16.982 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.385 9.878 -15.953 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.785 9.440 -17.570 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.492 9.888 -17.346 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.880 12.249 -15.395 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.021 12.416 -16.750 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.639 13.528 -16.608 1.00 0.00 H new ATOM 685 N GLU A 41 -0.821 12.611 -21.682 1.00 0.00 N ATOM 686 CA GLU A 41 -1.219 13.669 -22.595 1.00 0.00 C ATOM 687 C GLU A 41 -2.738 13.667 -22.779 1.00 0.00 C ATOM 688 O GLU A 41 -3.400 14.669 -22.514 1.00 0.00 O ATOM 689 CB GLU A 41 -0.503 13.530 -23.940 1.00 0.00 C ATOM 690 CG GLU A 41 0.070 14.874 -24.397 1.00 0.00 C ATOM 691 CD GLU A 41 -0.666 15.393 -25.632 1.00 0.00 C ATOM 692 OE1 GLU A 41 -0.292 14.958 -26.742 1.00 0.00 O ATOM 693 OE2 GLU A 41 -1.589 16.216 -25.438 1.00 0.00 O ATOM 0 H GLU A 41 -0.874 11.670 -22.071 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.926 14.626 -22.162 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.300 12.798 -23.855 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.199 13.153 -24.690 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.011 15.601 -23.589 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.131 14.763 -24.621 1.00 0.00 H new ATOM 700 N GLU A 42 -3.245 12.530 -23.233 1.00 0.00 N ATOM 701 CA GLU A 42 -4.673 12.385 -23.456 1.00 0.00 C ATOM 702 C GLU A 42 -5.296 11.521 -22.356 1.00 0.00 C ATOM 703 O GLU A 42 -4.830 10.414 -22.092 1.00 0.00 O ATOM 704 CB GLU A 42 -4.955 11.797 -24.840 1.00 0.00 C ATOM 705 CG GLU A 42 -4.783 12.856 -25.931 1.00 0.00 C ATOM 706 CD GLU A 42 -6.038 13.719 -26.060 1.00 0.00 C ATOM 707 OE1 GLU A 42 -7.085 13.147 -26.431 1.00 0.00 O ATOM 708 OE2 GLU A 42 -5.923 14.934 -25.785 1.00 0.00 O ATOM 0 H GLU A 42 -2.692 11.701 -23.452 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.130 13.374 -23.418 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.280 10.962 -25.029 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.970 11.400 -24.870 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.926 13.487 -25.698 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.572 12.371 -26.884 1.00 0.00 H new ATOM 715 N HIS A 43 -6.343 12.060 -21.748 1.00 0.00 N ATOM 716 CA HIS A 43 -7.036 11.353 -20.683 1.00 0.00 C ATOM 717 C HIS A 43 -8.095 12.267 -20.065 1.00 0.00 C ATOM 718 O HIS A 43 -7.782 13.368 -19.613 1.00 0.00 O ATOM 719 CB HIS A 43 -6.041 10.815 -19.652 1.00 0.00 C ATOM 720 CG HIS A 43 -6.309 9.392 -19.225 1.00 0.00 C ATOM 721 ND1 HIS A 43 -5.396 8.369 -19.412 1.00 0.00 N ATOM 722 CD2 HIS A 43 -7.395 8.832 -18.618 1.00 0.00 C ATOM 723 CE1 HIS A 43 -5.919 7.248 -18.936 1.00 0.00 C ATOM 724 NE2 HIS A 43 -7.159 7.538 -18.445 1.00 0.00 N ATOM 0 H HIS A 43 -6.728 12.977 -21.972 1.00 0.00 H new ATOM 0 HA HIS A 43 -7.551 10.484 -21.093 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -5.035 10.876 -20.067 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -6.062 11.458 -18.772 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -8.295 9.354 -18.327 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -5.447 6.277 -18.937 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -7.799 6.870 -18.016 1.00 0.00 H new ATOM 733 N PRO A 44 -9.359 11.764 -20.064 1.00 0.00 N ATOM 734 CA PRO A 44 -10.467 12.523 -19.507 1.00 0.00 C ATOM 735 C PRO A 44 -10.423 12.514 -17.979 1.00 0.00 C ATOM 736 O PRO A 44 -11.250 13.151 -17.327 1.00 0.00 O ATOM 737 CB PRO A 44 -11.715 11.866 -20.072 1.00 0.00 C ATOM 738 CG PRO A 44 -11.283 10.486 -20.545 1.00 0.00 C ATOM 739 CD PRO A 44 -9.765 10.465 -20.589 1.00 0.00 C ATOM 0 HA PRO A 44 -10.433 13.579 -19.776 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -12.495 11.793 -19.314 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.125 12.450 -20.896 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -11.656 9.716 -19.869 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -11.697 10.273 -21.531 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -9.363 9.651 -19.985 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -9.401 10.318 -21.606 1.00 0.00 H new ATOM 747 N GLY A 45 -9.453 11.784 -17.449 1.00 0.00 N ATOM 748 CA GLY A 45 -9.292 11.683 -16.008 1.00 0.00 C ATOM 749 C GLY A 45 -8.174 12.605 -15.516 1.00 0.00 C ATOM 750 O GLY A 45 -8.321 13.272 -14.494 1.00 0.00 O ATOM 0 H GLY A 45 -8.770 11.256 -17.992 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -10.228 11.945 -15.515 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -9.065 10.652 -15.735 1.00 0.00 H new ATOM 754 N GLY A 46 -7.083 12.613 -16.267 1.00 0.00 N ATOM 755 CA GLY A 46 -5.941 13.442 -15.919 1.00 0.00 C ATOM 756 C GLY A 46 -4.666 12.602 -15.818 1.00 0.00 C ATOM 757 O GLY A 46 -4.722 11.417 -15.496 1.00 0.00 O ATOM 0 H GLY A 46 -6.965 12.059 -17.115 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -5.810 14.221 -16.670 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -6.127 13.944 -14.969 1.00 0.00 H new ATOM 761 N GLU A 47 -3.545 13.252 -16.099 1.00 0.00 N ATOM 762 CA GLU A 47 -2.258 12.581 -16.044 1.00 0.00 C ATOM 763 C GLU A 47 -2.191 11.661 -14.824 1.00 0.00 C ATOM 764 O GLU A 47 -1.728 10.525 -14.922 1.00 0.00 O ATOM 765 CB GLU A 47 -1.111 13.594 -16.030 1.00 0.00 C ATOM 766 CG GLU A 47 -0.853 14.148 -17.432 1.00 0.00 C ATOM 767 CD GLU A 47 -0.773 15.677 -17.411 1.00 0.00 C ATOM 768 OE1 GLU A 47 0.173 16.187 -16.772 1.00 0.00 O ATOM 769 OE2 GLU A 47 -1.659 16.299 -18.035 1.00 0.00 O ATOM 0 H GLU A 47 -3.502 14.236 -16.365 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.150 11.971 -16.941 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.351 14.412 -15.350 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.206 13.119 -15.650 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.077 13.737 -17.824 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.650 13.831 -18.105 1.00 0.00 H new ATOM 776 N GLU A 48 -2.660 12.184 -13.701 1.00 0.00 N ATOM 777 CA GLU A 48 -2.659 11.423 -12.462 1.00 0.00 C ATOM 778 C GLU A 48 -3.295 10.050 -12.683 1.00 0.00 C ATOM 779 O GLU A 48 -2.746 9.033 -12.263 1.00 0.00 O ATOM 780 CB GLU A 48 -3.378 12.188 -11.349 1.00 0.00 C ATOM 781 CG GLU A 48 -2.497 12.297 -10.102 1.00 0.00 C ATOM 782 CD GLU A 48 -3.289 12.856 -8.918 1.00 0.00 C ATOM 783 OE1 GLU A 48 -4.520 12.640 -8.907 1.00 0.00 O ATOM 784 OE2 GLU A 48 -2.645 13.485 -8.051 1.00 0.00 O ATOM 0 H GLU A 48 -3.044 13.126 -13.622 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.625 11.277 -12.148 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.642 13.185 -11.700 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -4.310 11.681 -11.097 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.099 11.315 -9.847 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.644 12.942 -10.311 1.00 0.00 H new ATOM 791 N VAL A 49 -4.445 10.065 -13.341 1.00 0.00 N ATOM 792 CA VAL A 49 -5.163 8.833 -13.622 1.00 0.00 C ATOM 793 C VAL A 49 -4.167 7.754 -14.050 1.00 0.00 C ATOM 794 O VAL A 49 -4.417 6.564 -13.865 1.00 0.00 O ATOM 795 CB VAL A 49 -6.253 9.088 -14.666 1.00 0.00 C ATOM 796 CG1 VAL A 49 -5.659 9.146 -16.074 1.00 0.00 C ATOM 797 CG2 VAL A 49 -7.354 8.030 -14.577 1.00 0.00 C ATOM 0 H VAL A 49 -4.897 10.911 -13.688 1.00 0.00 H new ATOM 0 HA VAL A 49 -5.668 8.473 -12.726 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.703 10.058 -14.453 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.454 9.328 -16.797 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.928 9.953 -16.128 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -5.171 8.198 -16.302 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -8.116 8.234 -15.329 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.925 7.043 -14.753 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -7.806 8.058 -13.586 1.00 0.00 H new ATOM 807 N LEU A 50 -3.057 8.209 -14.613 1.00 0.00 N ATOM 808 CA LEU A 50 -2.021 7.296 -15.069 1.00 0.00 C ATOM 809 C LEU A 50 -0.803 7.418 -14.153 1.00 0.00 C ATOM 810 O LEU A 50 -0.196 6.413 -13.783 1.00 0.00 O ATOM 811 CB LEU A 50 -1.706 7.540 -16.547 1.00 0.00 C ATOM 812 CG LEU A 50 -2.914 7.656 -17.479 1.00 0.00 C ATOM 813 CD1 LEU A 50 -2.992 9.053 -18.101 1.00 0.00 C ATOM 814 CD2 LEU A 50 -2.896 6.556 -18.541 1.00 0.00 C ATOM 0 H LEU A 50 -2.852 9.197 -14.764 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.366 6.264 -15.006 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.121 8.456 -16.627 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.074 6.726 -16.903 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.818 7.515 -16.887 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.859 9.110 -18.759 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.086 9.798 -17.311 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.086 9.246 -18.676 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.766 6.662 -19.190 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.987 6.640 -19.136 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.923 5.581 -18.055 1.00 0.00 H new ATOM 826 N ARG A 51 -0.478 8.656 -13.812 1.00 0.00 N ATOM 827 CA ARG A 51 0.658 8.922 -12.947 1.00 0.00 C ATOM 828 C ARG A 51 0.428 8.307 -11.565 1.00 0.00 C ATOM 829 O ARG A 51 1.303 7.630 -11.030 1.00 0.00 O ATOM 830 CB ARG A 51 0.895 10.427 -12.795 1.00 0.00 C ATOM 831 CG ARG A 51 2.382 10.731 -12.606 1.00 0.00 C ATOM 832 CD ARG A 51 2.622 11.513 -11.313 1.00 0.00 C ATOM 833 NE ARG A 51 3.539 12.646 -11.571 1.00 0.00 N ATOM 834 CZ ARG A 51 4.258 13.260 -10.623 1.00 0.00 C ATOM 835 NH1 ARG A 51 4.174 12.855 -9.348 1.00 0.00 N ATOM 836 NH2 ARG A 51 5.064 14.282 -10.947 1.00 0.00 N ATOM 0 H ARG A 51 -0.983 9.487 -14.120 1.00 0.00 H new ATOM 0 HA ARG A 51 1.538 8.472 -13.407 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.523 10.948 -13.677 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.332 10.803 -11.941 1.00 0.00 H new ATOM 0 HG2 ARG A 51 2.947 9.799 -12.582 1.00 0.00 H new ATOM 0 HG3 ARG A 51 2.750 11.305 -13.456 1.00 0.00 H new ATOM 0 HD2 ARG A 51 1.675 11.883 -10.921 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.047 10.856 -10.554 1.00 0.00 H new ATOM 0 HE ARG A 51 3.629 12.980 -12.531 1.00 0.00 H new ATOM 0 HH11 ARG A 51 3.562 12.078 -9.099 1.00 0.00 H new ATOM 0 HH12 ARG A 51 4.722 13.324 -8.627 1.00 0.00 H new ATOM 0 HH21 ARG A 51 5.130 14.592 -11.916 1.00 0.00 H new ATOM 0 HH22 ARG A 51 5.611 14.749 -10.224 1.00 0.00 H new ATOM 850 N GLU A 52 -0.756 8.564 -11.027 1.00 0.00 N ATOM 851 CA GLU A 52 -1.112 8.044 -9.719 1.00 0.00 C ATOM 852 C GLU A 52 -1.002 6.518 -9.706 1.00 0.00 C ATOM 853 O GLU A 52 -0.836 5.913 -8.647 1.00 0.00 O ATOM 854 CB GLU A 52 -2.516 8.495 -9.314 1.00 0.00 C ATOM 855 CG GLU A 52 -2.495 9.204 -7.957 1.00 0.00 C ATOM 856 CD GLU A 52 -2.373 8.195 -6.813 1.00 0.00 C ATOM 857 OE1 GLU A 52 -1.344 7.486 -6.790 1.00 0.00 O ATOM 858 OE2 GLU A 52 -3.312 8.157 -5.988 1.00 0.00 O ATOM 0 H GLU A 52 -1.480 9.126 -11.474 1.00 0.00 H new ATOM 0 HA GLU A 52 -0.411 8.446 -8.987 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -2.919 9.166 -10.073 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -3.180 7.632 -9.267 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.659 9.903 -7.921 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -3.406 9.790 -7.835 1.00 0.00 H new ATOM 865 N GLN A 53 -1.097 5.940 -10.894 1.00 0.00 N ATOM 866 CA GLN A 53 -1.010 4.496 -11.032 1.00 0.00 C ATOM 867 C GLN A 53 0.415 4.084 -11.404 1.00 0.00 C ATOM 868 O GLN A 53 0.857 2.987 -11.064 1.00 0.00 O ATOM 869 CB GLN A 53 -2.017 3.983 -12.065 1.00 0.00 C ATOM 870 CG GLN A 53 -1.711 4.543 -13.455 1.00 0.00 C ATOM 871 CD GLN A 53 -2.554 3.848 -14.525 1.00 0.00 C ATOM 872 OE1 GLN A 53 -2.172 2.840 -15.096 1.00 0.00 O ATOM 873 NE2 GLN A 53 -3.721 4.441 -14.764 1.00 0.00 N ATOM 0 H GLN A 53 -1.233 6.445 -11.770 1.00 0.00 H new ATOM 0 HA GLN A 53 -1.260 4.042 -10.073 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -1.990 2.894 -12.094 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.026 4.269 -11.768 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -1.909 5.615 -13.471 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -0.652 4.411 -13.679 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -3.980 5.283 -14.250 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -4.357 4.053 -15.461 1.00 0.00 H new ATOM 882 N ALA A 54 1.096 4.984 -12.098 1.00 0.00 N ATOM 883 CA ALA A 54 2.462 4.727 -12.521 1.00 0.00 C ATOM 884 C ALA A 54 3.298 4.322 -11.306 1.00 0.00 C ATOM 885 O ALA A 54 3.291 5.010 -10.285 1.00 0.00 O ATOM 886 CB ALA A 54 3.020 5.965 -13.226 1.00 0.00 C ATOM 0 H ALA A 54 0.727 5.893 -12.378 1.00 0.00 H new ATOM 0 HA ALA A 54 2.495 3.904 -13.234 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.045 5.772 -13.543 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.407 6.194 -14.098 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.006 6.812 -12.540 1.00 0.00 H new ATOM 892 N GLY A 55 4.001 3.209 -11.455 1.00 0.00 N ATOM 893 CA GLY A 55 4.841 2.705 -10.382 1.00 0.00 C ATOM 894 C GLY A 55 4.387 1.313 -9.938 1.00 0.00 C ATOM 895 O GLY A 55 4.741 0.857 -8.851 1.00 0.00 O ATOM 0 H GLY A 55 4.006 2.642 -12.303 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.878 2.664 -10.716 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.806 3.390 -9.535 1.00 0.00 H new ATOM 899 N GLY A 56 3.608 0.676 -10.800 1.00 0.00 N ATOM 900 CA GLY A 56 3.102 -0.655 -10.511 1.00 0.00 C ATOM 901 C GLY A 56 1.892 -0.984 -11.387 1.00 0.00 C ATOM 902 O GLY A 56 1.540 -0.214 -12.280 1.00 0.00 O ATOM 0 H GLY A 56 3.315 1.057 -11.699 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.888 -1.391 -10.679 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.823 -0.721 -9.459 1.00 0.00 H new ATOM 906 N ASP A 57 1.287 -2.127 -11.100 1.00 0.00 N ATOM 907 CA ASP A 57 0.122 -2.567 -11.850 1.00 0.00 C ATOM 908 C ASP A 57 -1.031 -1.591 -11.613 1.00 0.00 C ATOM 909 O ASP A 57 -1.329 -1.242 -10.470 1.00 0.00 O ATOM 910 CB ASP A 57 -0.333 -3.955 -11.396 1.00 0.00 C ATOM 911 CG ASP A 57 -1.848 -4.159 -11.361 1.00 0.00 C ATOM 912 OD1 ASP A 57 -2.440 -3.824 -10.311 1.00 0.00 O ATOM 913 OD2 ASP A 57 -2.380 -4.646 -12.381 1.00 0.00 O ATOM 0 H ASP A 57 1.581 -2.762 -10.358 1.00 0.00 H new ATOM 0 HA ASP A 57 0.395 -2.604 -12.905 1.00 0.00 H new ATOM 0 HB2 ASP A 57 0.103 -4.700 -12.062 1.00 0.00 H new ATOM 0 HB3 ASP A 57 0.067 -4.144 -10.400 1.00 0.00 H new ATOM 918 N ALA A 58 -1.648 -1.176 -12.709 1.00 0.00 N ATOM 919 CA ALA A 58 -2.762 -0.247 -12.635 1.00 0.00 C ATOM 920 C ALA A 58 -4.040 -0.951 -13.098 1.00 0.00 C ATOM 921 O ALA A 58 -5.144 -0.490 -12.814 1.00 0.00 O ATOM 922 CB ALA A 58 -2.446 0.996 -13.468 1.00 0.00 C ATOM 0 H ALA A 58 -1.397 -1.466 -13.654 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.921 0.081 -11.608 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -3.282 1.693 -13.413 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.547 1.475 -13.080 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -2.283 0.707 -14.506 1.00 0.00 H new ATOM 928 N THR A 59 -3.846 -2.054 -13.804 1.00 0.00 N ATOM 929 CA THR A 59 -4.968 -2.826 -14.309 1.00 0.00 C ATOM 930 C THR A 59 -6.012 -3.033 -13.210 1.00 0.00 C ATOM 931 O THR A 59 -7.207 -2.849 -13.439 1.00 0.00 O ATOM 932 CB THR A 59 -4.424 -4.135 -14.884 1.00 0.00 C ATOM 933 OG1 THR A 59 -5.142 -4.306 -16.102 1.00 0.00 O ATOM 934 CG2 THR A 59 -4.817 -5.352 -14.045 1.00 0.00 C ATOM 0 H THR A 59 -2.928 -2.432 -14.039 1.00 0.00 H new ATOM 0 HA THR A 59 -5.484 -2.294 -15.108 1.00 0.00 H new ATOM 0 HB THR A 59 -3.338 -4.077 -14.951 1.00 0.00 H new ATOM 0 HG1 THR A 59 -5.376 -5.251 -16.214 1.00 0.00 H new ATOM 0 HG21 THR A 59 -4.405 -6.254 -14.497 1.00 0.00 H new ATOM 0 HG22 THR A 59 -4.423 -5.240 -13.035 1.00 0.00 H new ATOM 0 HG23 THR A 59 -5.903 -5.430 -14.004 1.00 0.00 H new ATOM 942 N GLU A 60 -5.523 -3.413 -12.038 1.00 0.00 N ATOM 943 CA GLU A 60 -6.397 -3.649 -10.903 1.00 0.00 C ATOM 944 C GLU A 60 -7.386 -2.490 -10.746 1.00 0.00 C ATOM 945 O GLU A 60 -8.528 -2.697 -10.337 1.00 0.00 O ATOM 946 CB GLU A 60 -5.588 -3.854 -9.620 1.00 0.00 C ATOM 947 CG GLU A 60 -5.674 -5.306 -9.145 1.00 0.00 C ATOM 948 CD GLU A 60 -6.163 -5.381 -7.696 1.00 0.00 C ATOM 949 OE1 GLU A 60 -7.400 -5.385 -7.516 1.00 0.00 O ATOM 950 OE2 GLU A 60 -5.290 -5.431 -6.805 1.00 0.00 O ATOM 0 H GLU A 60 -4.532 -3.563 -11.851 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.961 -4.563 -11.088 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.546 -3.586 -9.796 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.961 -3.190 -8.840 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -6.352 -5.864 -9.791 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.695 -5.778 -9.227 1.00 0.00 H new ATOM 957 N ASN A 61 -6.912 -1.300 -11.080 1.00 0.00 N ATOM 958 CA ASN A 61 -7.741 -0.110 -10.983 1.00 0.00 C ATOM 959 C ASN A 61 -8.396 0.162 -12.338 1.00 0.00 C ATOM 960 O ASN A 61 -9.613 0.322 -12.421 1.00 0.00 O ATOM 961 CB ASN A 61 -6.903 1.114 -10.607 1.00 0.00 C ATOM 962 CG ASN A 61 -7.482 1.818 -9.377 1.00 0.00 C ATOM 963 OD1 ASN A 61 -6.915 1.801 -8.297 1.00 0.00 O ATOM 964 ND2 ASN A 61 -8.637 2.436 -9.602 1.00 0.00 N ATOM 0 H ASN A 61 -5.964 -1.133 -11.418 1.00 0.00 H new ATOM 0 HA ASN A 61 -8.492 -0.283 -10.213 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -5.876 0.808 -10.406 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -6.870 1.809 -11.446 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -9.104 2.936 -8.845 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -9.057 2.410 -10.531 1.00 0.00 H new ATOM 971 N PHE A 62 -7.560 0.208 -13.365 1.00 0.00 N ATOM 972 CA PHE A 62 -8.043 0.458 -14.712 1.00 0.00 C ATOM 973 C PHE A 62 -9.218 -0.461 -15.053 1.00 0.00 C ATOM 974 O PHE A 62 -9.993 -0.171 -15.963 1.00 0.00 O ATOM 975 CB PHE A 62 -6.885 0.159 -15.666 1.00 0.00 C ATOM 976 CG PHE A 62 -7.284 -0.671 -16.888 1.00 0.00 C ATOM 977 CD1 PHE A 62 -7.547 -1.998 -16.752 1.00 0.00 C ATOM 978 CD2 PHE A 62 -7.373 -0.082 -18.110 1.00 0.00 C ATOM 979 CE1 PHE A 62 -7.917 -2.769 -17.886 1.00 0.00 C ATOM 980 CE2 PHE A 62 -7.742 -0.851 -19.245 1.00 0.00 C ATOM 981 CZ PHE A 62 -8.008 -2.179 -19.108 1.00 0.00 C ATOM 0 H PHE A 62 -6.551 0.076 -13.291 1.00 0.00 H new ATOM 0 HA PHE A 62 -8.385 1.489 -14.798 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -6.454 1.101 -16.005 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -6.105 -0.370 -15.119 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -7.475 -2.466 -15.781 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -7.163 0.972 -18.218 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -8.126 -3.823 -17.778 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -7.812 -0.383 -20.216 1.00 0.00 H new ATOM 0 HZ PHE A 62 -8.291 -2.764 -19.970 1.00 0.00 H new ATOM 991 N GLU A 63 -9.314 -1.548 -14.303 1.00 0.00 N ATOM 992 CA GLU A 63 -10.382 -2.511 -14.513 1.00 0.00 C ATOM 993 C GLU A 63 -11.650 -2.066 -13.783 1.00 0.00 C ATOM 994 O GLU A 63 -12.760 -2.300 -14.258 1.00 0.00 O ATOM 995 CB GLU A 63 -9.955 -3.911 -14.068 1.00 0.00 C ATOM 996 CG GLU A 63 -9.480 -4.745 -15.260 1.00 0.00 C ATOM 997 CD GLU A 63 -10.668 -5.265 -16.073 1.00 0.00 C ATOM 998 OE1 GLU A 63 -11.305 -4.426 -16.747 1.00 0.00 O ATOM 999 OE2 GLU A 63 -10.912 -6.489 -16.003 1.00 0.00 O ATOM 0 H GLU A 63 -8.670 -1.784 -13.548 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.598 -2.556 -15.580 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -9.155 -3.834 -13.332 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -10.791 -4.412 -13.579 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.835 -4.140 -15.898 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.882 -5.584 -14.906 1.00 0.00 H new ATOM 1006 N ASP A 64 -11.443 -1.434 -12.637 1.00 0.00 N ATOM 1007 CA ASP A 64 -12.556 -0.953 -11.835 1.00 0.00 C ATOM 1008 C ASP A 64 -13.249 0.196 -12.568 1.00 0.00 C ATOM 1009 O ASP A 64 -14.438 0.438 -12.367 1.00 0.00 O ATOM 1010 CB ASP A 64 -12.072 -0.428 -10.481 1.00 0.00 C ATOM 1011 CG ASP A 64 -12.993 0.602 -9.821 1.00 0.00 C ATOM 1012 OD1 ASP A 64 -14.178 0.258 -9.621 1.00 0.00 O ATOM 1013 OD2 ASP A 64 -12.489 1.709 -9.533 1.00 0.00 O ATOM 0 H ASP A 64 -10.521 -1.244 -12.244 1.00 0.00 H new ATOM 0 HA ASP A 64 -13.241 -1.785 -11.675 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -11.951 -1.273 -9.803 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -11.087 0.019 -10.612 1.00 0.00 H new ATOM 1018 N VAL A 65 -12.476 0.875 -13.403 1.00 0.00 N ATOM 1019 CA VAL A 65 -13.000 1.993 -14.167 1.00 0.00 C ATOM 1020 C VAL A 65 -13.602 1.475 -15.476 1.00 0.00 C ATOM 1021 O VAL A 65 -14.035 2.259 -16.317 1.00 0.00 O ATOM 1022 CB VAL A 65 -11.903 3.037 -14.387 1.00 0.00 C ATOM 1023 CG1 VAL A 65 -10.534 2.483 -13.995 1.00 0.00 C ATOM 1024 CG2 VAL A 65 -11.903 3.534 -15.834 1.00 0.00 C ATOM 0 H VAL A 65 -11.490 0.672 -13.567 1.00 0.00 H new ATOM 0 HA VAL A 65 -13.798 2.490 -13.616 1.00 0.00 H new ATOM 0 HB VAL A 65 -12.115 3.889 -13.741 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -9.772 3.245 -14.161 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -10.543 2.202 -12.942 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -10.309 1.606 -14.602 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -11.114 4.275 -15.964 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -11.727 2.695 -16.507 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -12.868 3.987 -16.063 1.00 0.00 H new ATOM 1034 N GLY A 66 -13.611 0.155 -15.603 1.00 0.00 N ATOM 1035 CA GLY A 66 -14.152 -0.477 -16.795 1.00 0.00 C ATOM 1036 C GLY A 66 -13.821 0.337 -18.046 1.00 0.00 C ATOM 1037 O GLY A 66 -14.668 1.067 -18.557 1.00 0.00 O ATOM 0 H GLY A 66 -13.253 -0.493 -14.901 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -13.745 -1.483 -16.894 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -15.233 -0.578 -16.698 1.00 0.00 H new ATOM 1041 N HIS A 67 -12.587 0.183 -18.504 1.00 0.00 N ATOM 1042 CA HIS A 67 -12.133 0.895 -19.687 1.00 0.00 C ATOM 1043 C HIS A 67 -12.777 0.281 -20.933 1.00 0.00 C ATOM 1044 O HIS A 67 -13.564 -0.658 -20.831 1.00 0.00 O ATOM 1045 CB HIS A 67 -10.606 0.915 -19.757 1.00 0.00 C ATOM 1046 CG HIS A 67 -9.962 1.942 -18.857 1.00 0.00 C ATOM 1047 ND1 HIS A 67 -9.803 1.752 -17.495 1.00 0.00 N ATOM 1048 CD2 HIS A 67 -9.441 3.171 -19.138 1.00 0.00 C ATOM 1049 CE1 HIS A 67 -9.211 2.824 -16.989 1.00 0.00 C ATOM 1050 NE2 HIS A 67 -8.989 3.702 -18.010 1.00 0.00 N ATOM 0 H HIS A 67 -11.887 -0.424 -18.077 1.00 0.00 H new ATOM 0 HA HIS A 67 -12.449 1.937 -19.633 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -10.228 -0.072 -19.493 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -10.302 1.108 -20.786 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -10.092 0.927 -16.970 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -9.403 3.633 -20.113 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -8.950 2.976 -15.952 1.00 0.00 H new ATOM 1059 N SER A 68 -12.418 0.839 -22.080 1.00 0.00 N ATOM 1060 CA SER A 68 -12.949 0.359 -23.344 1.00 0.00 C ATOM 1061 C SER A 68 -11.879 -0.437 -24.094 1.00 0.00 C ATOM 1062 O SER A 68 -10.686 -0.177 -23.941 1.00 0.00 O ATOM 1063 CB SER A 68 -13.449 1.519 -24.207 1.00 0.00 C ATOM 1064 OG SER A 68 -12.408 2.083 -24.998 1.00 0.00 O ATOM 0 H SER A 68 -11.766 1.619 -22.160 1.00 0.00 H new ATOM 0 HA SER A 68 -13.796 -0.293 -23.133 1.00 0.00 H new ATOM 0 HB2 SER A 68 -14.249 1.168 -24.858 1.00 0.00 H new ATOM 0 HB3 SER A 68 -13.875 2.290 -23.566 1.00 0.00 H new ATOM 0 HG SER A 68 -12.768 2.819 -25.536 1.00 0.00 H new ATOM 1070 N THR A 69 -12.343 -1.391 -24.886 1.00 0.00 N ATOM 1071 CA THR A 69 -11.440 -2.227 -25.660 1.00 0.00 C ATOM 1072 C THR A 69 -10.505 -1.360 -26.506 1.00 0.00 C ATOM 1073 O THR A 69 -9.437 -1.811 -26.916 1.00 0.00 O ATOM 1074 CB THR A 69 -12.286 -3.195 -26.491 1.00 0.00 C ATOM 1075 OG1 THR A 69 -12.502 -4.301 -25.619 1.00 0.00 O ATOM 1076 CG2 THR A 69 -11.510 -3.791 -27.665 1.00 0.00 C ATOM 0 H THR A 69 -13.333 -1.605 -25.009 1.00 0.00 H new ATOM 0 HA THR A 69 -10.791 -2.814 -25.010 1.00 0.00 H new ATOM 0 HB THR A 69 -13.168 -2.677 -26.866 1.00 0.00 H new ATOM 0 HG1 THR A 69 -13.044 -4.977 -26.076 1.00 0.00 H new ATOM 0 HG21 THR A 69 -12.156 -4.470 -28.221 1.00 0.00 H new ATOM 0 HG22 THR A 69 -11.174 -2.990 -28.323 1.00 0.00 H new ATOM 0 HG23 THR A 69 -10.646 -4.339 -27.289 1.00 0.00 H new ATOM 1084 N ASP A 70 -10.940 -0.131 -26.741 1.00 0.00 N ATOM 1085 CA ASP A 70 -10.155 0.803 -27.531 1.00 0.00 C ATOM 1086 C ASP A 70 -8.993 1.328 -26.685 1.00 0.00 C ATOM 1087 O ASP A 70 -7.849 1.348 -27.138 1.00 0.00 O ATOM 1088 CB ASP A 70 -10.999 2.000 -27.968 1.00 0.00 C ATOM 1089 CG ASP A 70 -10.307 2.961 -28.937 1.00 0.00 C ATOM 1090 OD1 ASP A 70 -9.925 2.489 -30.030 1.00 0.00 O ATOM 1091 OD2 ASP A 70 -10.173 4.146 -28.562 1.00 0.00 O ATOM 0 H ASP A 70 -11.826 0.240 -26.398 1.00 0.00 H new ATOM 0 HA ASP A 70 -9.792 0.276 -28.414 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -11.911 1.630 -28.436 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -11.299 2.557 -27.080 1.00 0.00 H new ATOM 1096 N ALA A 71 -9.325 1.739 -25.470 1.00 0.00 N ATOM 1097 CA ALA A 71 -8.325 2.261 -24.556 1.00 0.00 C ATOM 1098 C ALA A 71 -7.219 1.221 -24.367 1.00 0.00 C ATOM 1099 O ALA A 71 -6.035 1.554 -24.407 1.00 0.00 O ATOM 1100 CB ALA A 71 -8.992 2.650 -23.234 1.00 0.00 C ATOM 0 H ALA A 71 -10.274 1.721 -25.097 1.00 0.00 H new ATOM 0 HA ALA A 71 -7.865 3.160 -24.965 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -8.240 3.042 -22.549 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -9.748 3.413 -23.419 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.463 1.772 -22.792 1.00 0.00 H new ATOM 1106 N ARG A 72 -7.645 -0.017 -24.166 1.00 0.00 N ATOM 1107 CA ARG A 72 -6.706 -1.109 -23.972 1.00 0.00 C ATOM 1108 C ARG A 72 -5.879 -1.331 -25.240 1.00 0.00 C ATOM 1109 O ARG A 72 -4.659 -1.476 -25.173 1.00 0.00 O ATOM 1110 CB ARG A 72 -7.434 -2.406 -23.613 1.00 0.00 C ATOM 1111 CG ARG A 72 -8.466 -2.167 -22.510 1.00 0.00 C ATOM 1112 CD ARG A 72 -9.145 -3.476 -22.101 1.00 0.00 C ATOM 1113 NE ARG A 72 -9.937 -4.009 -23.231 1.00 0.00 N ATOM 1114 CZ ARG A 72 -9.444 -4.819 -24.179 1.00 0.00 C ATOM 1115 NH1 ARG A 72 -8.158 -5.193 -24.137 1.00 0.00 N ATOM 1116 NH2 ARG A 72 -10.237 -5.254 -25.168 1.00 0.00 N ATOM 0 H ARG A 72 -8.628 -0.288 -24.133 1.00 0.00 H new ATOM 0 HA ARG A 72 -6.047 -0.836 -23.148 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -7.928 -2.807 -24.498 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.712 -3.154 -23.285 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -7.980 -1.719 -21.643 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -9.217 -1.457 -22.857 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -8.394 -4.205 -21.796 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -9.792 -3.306 -21.240 1.00 0.00 H new ATOM 0 HE ARG A 72 -10.920 -3.744 -23.293 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -7.555 -4.862 -23.384 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -7.782 -5.809 -24.858 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -11.216 -4.969 -25.200 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -9.862 -5.870 -25.889 1.00 0.00 H new ATOM 1130 N GLU A 73 -6.575 -1.349 -26.366 1.00 0.00 N ATOM 1131 CA GLU A 73 -5.921 -1.551 -27.648 1.00 0.00 C ATOM 1132 C GLU A 73 -4.953 -0.402 -27.936 1.00 0.00 C ATOM 1133 O GLU A 73 -3.883 -0.614 -28.504 1.00 0.00 O ATOM 1134 CB GLU A 73 -6.950 -1.697 -28.771 1.00 0.00 C ATOM 1135 CG GLU A 73 -7.049 -3.150 -29.238 1.00 0.00 C ATOM 1136 CD GLU A 73 -8.252 -3.347 -30.163 1.00 0.00 C ATOM 1137 OE1 GLU A 73 -8.295 -2.643 -31.195 1.00 0.00 O ATOM 1138 OE2 GLU A 73 -9.100 -4.199 -29.819 1.00 0.00 O ATOM 0 H GLU A 73 -7.586 -1.227 -26.418 1.00 0.00 H new ATOM 0 HA GLU A 73 -5.350 -2.478 -27.601 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -7.925 -1.356 -28.422 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -6.671 -1.060 -29.610 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -6.134 -3.431 -29.760 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -7.138 -3.808 -28.374 1.00 0.00 H new ATOM 1145 N LEU A 74 -5.363 0.792 -27.531 1.00 0.00 N ATOM 1146 CA LEU A 74 -4.546 1.974 -27.738 1.00 0.00 C ATOM 1147 C LEU A 74 -3.245 1.837 -26.944 1.00 0.00 C ATOM 1148 O LEU A 74 -2.174 2.189 -27.435 1.00 0.00 O ATOM 1149 CB LEU A 74 -5.339 3.238 -27.404 1.00 0.00 C ATOM 1150 CG LEU A 74 -4.893 3.999 -26.154 1.00 0.00 C ATOM 1151 CD1 LEU A 74 -3.788 5.003 -26.487 1.00 0.00 C ATOM 1152 CD2 LEU A 74 -6.084 4.667 -25.464 1.00 0.00 C ATOM 0 H LEU A 74 -6.251 0.965 -27.060 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.270 2.066 -28.788 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -5.282 3.915 -28.257 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.387 2.964 -27.284 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.474 3.281 -25.450 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -3.490 5.530 -25.581 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.928 4.475 -26.899 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.157 5.721 -27.219 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.739 5.201 -24.579 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -6.555 5.370 -26.151 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -6.808 3.907 -25.170 1.00 0.00 H new ATOM 1164 N SER A 75 -3.383 1.322 -25.731 1.00 0.00 N ATOM 1165 CA SER A 75 -2.232 1.132 -24.864 1.00 0.00 C ATOM 1166 C SER A 75 -1.202 0.232 -25.550 1.00 0.00 C ATOM 1167 O SER A 75 -0.027 0.240 -25.189 1.00 0.00 O ATOM 1168 CB SER A 75 -2.647 0.535 -23.518 1.00 0.00 C ATOM 1169 OG SER A 75 -4.023 0.164 -23.502 1.00 0.00 O ATOM 0 H SER A 75 -4.274 1.031 -25.328 1.00 0.00 H new ATOM 0 HA SER A 75 -1.783 2.107 -24.674 1.00 0.00 H new ATOM 0 HB2 SER A 75 -2.033 -0.340 -23.304 1.00 0.00 H new ATOM 0 HB3 SER A 75 -2.457 1.259 -22.726 1.00 0.00 H new ATOM 0 HG SER A 75 -4.108 -0.787 -23.721 1.00 0.00 H new ATOM 1175 N LYS A 76 -1.682 -0.525 -26.526 1.00 0.00 N ATOM 1176 CA LYS A 76 -0.819 -1.429 -27.266 1.00 0.00 C ATOM 1177 C LYS A 76 0.278 -0.623 -27.965 1.00 0.00 C ATOM 1178 O LYS A 76 1.313 -1.172 -28.338 1.00 0.00 O ATOM 1179 CB LYS A 76 -1.644 -2.300 -28.215 1.00 0.00 C ATOM 1180 CG LYS A 76 -1.724 -1.668 -29.607 1.00 0.00 C ATOM 1181 CD LYS A 76 -2.860 -2.288 -30.425 1.00 0.00 C ATOM 1182 CE LYS A 76 -2.321 -2.956 -31.692 1.00 0.00 C ATOM 1183 NZ LYS A 76 -2.401 -4.429 -31.576 1.00 0.00 N ATOM 0 H LYS A 76 -2.658 -0.530 -26.821 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.321 -2.122 -26.588 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.196 -3.291 -28.287 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.649 -2.432 -27.813 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -1.882 -0.594 -29.514 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -0.777 -1.807 -30.129 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -3.390 -3.023 -29.819 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -3.582 -1.517 -30.695 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -2.893 -2.622 -32.558 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -1.287 -2.654 -31.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -2.031 -4.866 -32.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -1.836 -4.744 -30.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -3.392 -4.713 -31.440 1.00 0.00 H new ATOM 1197 N THR A 77 0.014 0.665 -28.120 1.00 0.00 N ATOM 1198 CA THR A 77 0.964 1.552 -28.768 1.00 0.00 C ATOM 1199 C THR A 77 1.921 2.153 -27.736 1.00 0.00 C ATOM 1200 O THR A 77 2.953 2.717 -28.096 1.00 0.00 O ATOM 1201 CB THR A 77 0.174 2.602 -29.549 1.00 0.00 C ATOM 1202 OG1 THR A 77 1.062 3.000 -30.591 1.00 0.00 O ATOM 1203 CG2 THR A 77 -0.052 3.884 -28.744 1.00 0.00 C ATOM 0 H THR A 77 -0.846 1.116 -27.807 1.00 0.00 H new ATOM 0 HA THR A 77 1.595 1.010 -29.473 1.00 0.00 H new ATOM 0 HB THR A 77 -0.788 2.185 -29.846 1.00 0.00 H new ATOM 0 HG1 THR A 77 0.629 3.680 -31.148 1.00 0.00 H new ATOM 0 HG21 THR A 77 -0.618 4.596 -29.345 1.00 0.00 H new ATOM 0 HG22 THR A 77 -0.610 3.651 -27.837 1.00 0.00 H new ATOM 0 HG23 THR A 77 0.910 4.320 -28.476 1.00 0.00 H new ATOM 1211 N PHE A 78 1.543 2.014 -26.475 1.00 0.00 N ATOM 1212 CA PHE A 78 2.353 2.536 -25.388 1.00 0.00 C ATOM 1213 C PHE A 78 3.132 1.415 -24.696 1.00 0.00 C ATOM 1214 O PHE A 78 4.032 1.678 -23.900 1.00 0.00 O ATOM 1215 CB PHE A 78 1.395 3.172 -24.380 1.00 0.00 C ATOM 1216 CG PHE A 78 0.714 4.445 -24.887 1.00 0.00 C ATOM 1217 CD1 PHE A 78 -0.143 4.384 -25.941 1.00 0.00 C ATOM 1218 CD2 PHE A 78 0.966 5.636 -24.283 1.00 0.00 C ATOM 1219 CE1 PHE A 78 -0.775 5.566 -26.411 1.00 0.00 C ATOM 1220 CE2 PHE A 78 0.334 6.819 -24.752 1.00 0.00 C ATOM 1221 CZ PHE A 78 -0.523 6.759 -25.807 1.00 0.00 C ATOM 0 H PHE A 78 0.685 1.547 -26.181 1.00 0.00 H new ATOM 0 HA PHE A 78 3.073 3.257 -25.775 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.629 2.444 -24.113 1.00 0.00 H new ATOM 0 HB3 PHE A 78 1.945 3.405 -23.468 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.343 3.437 -26.421 1.00 0.00 H new ATOM 0 HD2 PHE A 78 1.647 5.683 -23.446 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -1.456 5.518 -27.248 1.00 0.00 H new ATOM 0 HE2 PHE A 78 0.534 7.765 -24.271 1.00 0.00 H new ATOM 0 HZ PHE A 78 -1.003 7.658 -26.165 1.00 0.00 H new ATOM 1231 N ILE A 79 2.757 0.188 -25.024 1.00 0.00 N ATOM 1232 CA ILE A 79 3.408 -0.975 -24.444 1.00 0.00 C ATOM 1233 C ILE A 79 4.917 -0.877 -24.675 1.00 0.00 C ATOM 1234 O ILE A 79 5.370 -0.787 -25.815 1.00 0.00 O ATOM 1235 CB ILE A 79 2.785 -2.264 -24.986 1.00 0.00 C ATOM 1236 CG1 ILE A 79 1.593 -2.699 -24.131 1.00 0.00 C ATOM 1237 CG2 ILE A 79 3.836 -3.370 -25.111 1.00 0.00 C ATOM 1238 CD1 ILE A 79 1.350 -4.205 -24.256 1.00 0.00 C ATOM 0 H ILE A 79 2.010 -0.027 -25.685 1.00 0.00 H new ATOM 0 HA ILE A 79 3.251 -1.001 -23.366 1.00 0.00 H new ATOM 0 HB ILE A 79 2.406 -2.065 -25.988 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.776 -2.442 -23.088 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.700 -2.156 -24.442 1.00 0.00 H new ATOM 0 HG21 ILE A 79 3.368 -4.275 -25.498 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.623 -3.049 -25.793 1.00 0.00 H new ATOM 0 HG23 ILE A 79 4.267 -3.575 -24.131 1.00 0.00 H new ATOM 0 HD11 ILE A 79 0.498 -4.488 -23.639 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.144 -4.455 -25.297 1.00 0.00 H new ATOM 0 HD13 ILE A 79 2.236 -4.745 -23.922 1.00 0.00 H new ATOM 1250 N ILE A 80 5.654 -0.898 -23.574 1.00 0.00 N ATOM 1251 CA ILE A 80 7.103 -0.812 -23.642 1.00 0.00 C ATOM 1252 C ILE A 80 7.706 -2.180 -23.320 1.00 0.00 C ATOM 1253 O ILE A 80 8.801 -2.504 -23.781 1.00 0.00 O ATOM 1254 CB ILE A 80 7.616 0.314 -22.741 1.00 0.00 C ATOM 1255 CG1 ILE A 80 6.692 0.517 -21.538 1.00 0.00 C ATOM 1256 CG2 ILE A 80 7.814 1.606 -23.537 1.00 0.00 C ATOM 1257 CD1 ILE A 80 7.365 1.382 -20.471 1.00 0.00 C ATOM 0 H ILE A 80 5.275 -0.973 -22.630 1.00 0.00 H new ATOM 0 HA ILE A 80 7.422 -0.552 -24.651 1.00 0.00 H new ATOM 0 HB ILE A 80 8.592 0.023 -22.352 1.00 0.00 H new ATOM 0 HG12 ILE A 80 5.765 0.989 -21.863 1.00 0.00 H new ATOM 0 HG13 ILE A 80 6.425 -0.450 -21.112 1.00 0.00 H new ATOM 0 HG21 ILE A 80 8.179 2.390 -22.873 1.00 0.00 H new ATOM 0 HG22 ILE A 80 8.540 1.436 -24.332 1.00 0.00 H new ATOM 0 HG23 ILE A 80 6.864 1.914 -23.974 1.00 0.00 H new ATOM 0 HD11 ILE A 80 6.688 1.511 -19.627 1.00 0.00 H new ATOM 0 HD12 ILE A 80 8.279 0.895 -20.131 1.00 0.00 H new ATOM 0 HD13 ILE A 80 7.608 2.357 -20.893 1.00 0.00 H new ATOM 1269 N GLY A 81 6.967 -2.947 -22.531 1.00 0.00 N ATOM 1270 CA GLY A 81 7.415 -4.273 -22.143 1.00 0.00 C ATOM 1271 C GLY A 81 6.301 -5.042 -21.432 1.00 0.00 C ATOM 1272 O GLY A 81 5.120 -4.809 -21.687 1.00 0.00 O ATOM 0 H GLY A 81 6.061 -2.675 -22.150 1.00 0.00 H new ATOM 0 HA2 GLY A 81 7.736 -4.825 -23.026 1.00 0.00 H new ATOM 0 HA3 GLY A 81 8.281 -4.190 -21.486 1.00 0.00 H new ATOM 1276 N GLU A 82 6.714 -5.943 -20.552 1.00 0.00 N ATOM 1277 CA GLU A 82 5.765 -6.747 -19.802 1.00 0.00 C ATOM 1278 C GLU A 82 6.364 -7.154 -18.454 1.00 0.00 C ATOM 1279 O GLU A 82 7.579 -7.115 -18.274 1.00 0.00 O ATOM 1280 CB GLU A 82 5.334 -7.977 -20.605 1.00 0.00 C ATOM 1281 CG GLU A 82 5.426 -7.711 -22.108 1.00 0.00 C ATOM 1282 CD GLU A 82 5.002 -8.942 -22.911 1.00 0.00 C ATOM 1283 OE1 GLU A 82 5.763 -9.934 -22.871 1.00 0.00 O ATOM 1284 OE2 GLU A 82 3.928 -8.865 -23.544 1.00 0.00 O ATOM 0 H GLU A 82 7.694 -6.134 -20.342 1.00 0.00 H new ATOM 0 HA GLU A 82 4.875 -6.146 -19.615 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.965 -8.826 -20.343 1.00 0.00 H new ATOM 0 HB3 GLU A 82 4.311 -8.247 -20.342 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.791 -6.865 -22.370 1.00 0.00 H new ATOM 0 HG3 GLU A 82 6.448 -7.436 -22.370 1.00 0.00 H new ATOM 1291 N LEU A 83 5.481 -7.535 -17.542 1.00 0.00 N ATOM 1292 CA LEU A 83 5.907 -7.948 -16.217 1.00 0.00 C ATOM 1293 C LEU A 83 6.539 -9.340 -16.298 1.00 0.00 C ATOM 1294 O LEU A 83 5.887 -10.298 -16.711 1.00 0.00 O ATOM 1295 CB LEU A 83 4.742 -7.860 -15.227 1.00 0.00 C ATOM 1296 CG LEU A 83 5.123 -7.760 -13.748 1.00 0.00 C ATOM 1297 CD1 LEU A 83 6.555 -8.248 -13.518 1.00 0.00 C ATOM 1298 CD2 LEU A 83 4.910 -6.339 -13.223 1.00 0.00 C ATOM 0 H LEU A 83 4.473 -7.566 -17.695 1.00 0.00 H new ATOM 0 HA LEU A 83 6.672 -7.271 -15.836 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.137 -6.991 -15.485 1.00 0.00 H new ATOM 0 HB3 LEU A 83 4.111 -8.739 -15.360 1.00 0.00 H new ATOM 0 HG LEU A 83 4.464 -8.416 -13.179 1.00 0.00 H new ATOM 0 HD11 LEU A 83 6.801 -8.167 -12.459 1.00 0.00 H new ATOM 0 HD12 LEU A 83 6.640 -9.289 -13.831 1.00 0.00 H new ATOM 0 HD13 LEU A 83 7.245 -7.637 -14.099 1.00 0.00 H new ATOM 0 HD21 LEU A 83 5.188 -6.295 -12.170 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.529 -5.645 -13.791 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.861 -6.064 -13.333 1.00 0.00 H new ATOM 1310 N HIS A 84 7.800 -9.406 -15.898 1.00 0.00 N ATOM 1311 CA HIS A 84 8.526 -10.664 -15.922 1.00 0.00 C ATOM 1312 C HIS A 84 7.932 -11.620 -14.887 1.00 0.00 C ATOM 1313 O HIS A 84 6.927 -11.306 -14.252 1.00 0.00 O ATOM 1314 CB HIS A 84 10.025 -10.428 -15.720 1.00 0.00 C ATOM 1315 CG HIS A 84 10.892 -11.033 -16.798 1.00 0.00 C ATOM 1316 ND1 HIS A 84 10.432 -11.283 -18.079 1.00 0.00 N ATOM 1317 CD2 HIS A 84 12.196 -11.436 -16.773 1.00 0.00 C ATOM 1318 CE1 HIS A 84 11.421 -11.811 -18.784 1.00 0.00 C ATOM 1319 NE2 HIS A 84 12.513 -11.907 -17.973 1.00 0.00 N ATOM 0 H HIS A 84 8.337 -8.609 -15.556 1.00 0.00 H new ATOM 0 HA HIS A 84 8.418 -11.132 -16.900 1.00 0.00 H new ATOM 0 HB2 HIS A 84 10.211 -9.355 -15.678 1.00 0.00 H new ATOM 0 HB3 HIS A 84 10.321 -10.841 -14.756 1.00 0.00 H new ATOM 0 HD2 HIS A 84 12.858 -11.381 -15.921 1.00 0.00 H new ATOM 0 HE1 HIS A 84 11.371 -12.113 -19.820 1.00 0.00 H new ATOM 0 HE2 HIS A 84 13.423 -12.279 -18.244 1.00 0.00 H new ATOM 1328 N PRO A 85 8.595 -12.799 -14.745 1.00 0.00 N ATOM 1329 CA PRO A 85 8.142 -13.804 -13.798 1.00 0.00 C ATOM 1330 C PRO A 85 8.487 -13.399 -12.364 1.00 0.00 C ATOM 1331 O PRO A 85 8.346 -14.198 -11.439 1.00 0.00 O ATOM 1332 CB PRO A 85 8.826 -15.091 -14.233 1.00 0.00 C ATOM 1333 CG PRO A 85 9.989 -14.667 -15.115 1.00 0.00 C ATOM 1334 CD PRO A 85 9.788 -13.206 -15.482 1.00 0.00 C ATOM 0 HA PRO A 85 7.059 -13.925 -13.798 1.00 0.00 H new ATOM 0 HB2 PRO A 85 9.176 -15.658 -13.370 1.00 0.00 H new ATOM 0 HB3 PRO A 85 8.136 -15.735 -14.779 1.00 0.00 H new ATOM 0 HG2 PRO A 85 10.935 -14.802 -14.590 1.00 0.00 H new ATOM 0 HG3 PRO A 85 10.032 -15.284 -16.013 1.00 0.00 H new ATOM 0 HD2 PRO A 85 10.652 -12.604 -15.200 1.00 0.00 H new ATOM 0 HD3 PRO A 85 9.651 -13.083 -16.556 1.00 0.00 H new ATOM 1342 N ASP A 86 8.929 -12.158 -12.223 1.00 0.00 N ATOM 1343 CA ASP A 86 9.294 -11.637 -10.916 1.00 0.00 C ATOM 1344 C ASP A 86 8.024 -11.313 -10.128 1.00 0.00 C ATOM 1345 O ASP A 86 8.032 -11.324 -8.899 1.00 0.00 O ATOM 1346 CB ASP A 86 10.112 -10.351 -11.045 1.00 0.00 C ATOM 1347 CG ASP A 86 9.740 -9.246 -10.055 1.00 0.00 C ATOM 1348 OD1 ASP A 86 10.260 -9.303 -8.919 1.00 0.00 O ATOM 1349 OD2 ASP A 86 8.945 -8.370 -10.456 1.00 0.00 O ATOM 0 H ASP A 86 9.043 -11.498 -12.992 1.00 0.00 H new ATOM 0 HA ASP A 86 9.890 -12.394 -10.406 1.00 0.00 H new ATOM 0 HB2 ASP A 86 11.166 -10.594 -10.915 1.00 0.00 H new ATOM 0 HB3 ASP A 86 9.996 -9.965 -12.058 1.00 0.00 H new ATOM 1354 N ASP A 87 6.962 -11.030 -10.869 1.00 0.00 N ATOM 1355 CA ASP A 87 5.687 -10.703 -10.255 1.00 0.00 C ATOM 1356 C ASP A 87 4.662 -10.399 -11.348 1.00 0.00 C ATOM 1357 O ASP A 87 4.014 -9.354 -11.325 1.00 0.00 O ATOM 1358 CB ASP A 87 5.807 -9.466 -9.362 1.00 0.00 C ATOM 1359 CG ASP A 87 6.240 -9.748 -7.922 1.00 0.00 C ATOM 1360 OD1 ASP A 87 5.425 -10.350 -7.191 1.00 0.00 O ATOM 1361 OD2 ASP A 87 7.377 -9.354 -7.585 1.00 0.00 O ATOM 0 H ASP A 87 6.959 -11.021 -11.889 1.00 0.00 H new ATOM 0 HA ASP A 87 5.375 -11.555 -9.651 1.00 0.00 H new ATOM 0 HB2 ASP A 87 6.523 -8.779 -9.813 1.00 0.00 H new ATOM 0 HB3 ASP A 87 4.844 -8.956 -9.343 1.00 0.00 H new ATOM 1366 N ARG A 88 4.546 -11.331 -12.284 1.00 0.00 N ATOM 1367 CA ARG A 88 3.611 -11.176 -13.384 1.00 0.00 C ATOM 1368 C ARG A 88 2.278 -11.846 -13.047 1.00 0.00 C ATOM 1369 O ARG A 88 1.225 -11.218 -13.133 1.00 0.00 O ATOM 1370 CB ARG A 88 4.170 -11.786 -14.671 1.00 0.00 C ATOM 1371 CG ARG A 88 4.495 -13.269 -14.480 1.00 0.00 C ATOM 1372 CD ARG A 88 5.409 -13.778 -15.596 1.00 0.00 C ATOM 1373 NE ARG A 88 5.589 -15.243 -15.474 1.00 0.00 N ATOM 1374 CZ ARG A 88 6.028 -16.031 -16.464 1.00 0.00 C ATOM 1375 NH1 ARG A 88 6.335 -15.500 -17.656 1.00 0.00 N ATOM 1376 NH2 ARG A 88 6.160 -17.350 -16.263 1.00 0.00 N ATOM 0 H ARG A 88 5.085 -12.197 -12.302 1.00 0.00 H new ATOM 0 HA ARG A 88 3.455 -10.108 -13.539 1.00 0.00 H new ATOM 0 HB2 ARG A 88 3.445 -11.670 -15.477 1.00 0.00 H new ATOM 0 HB3 ARG A 88 5.070 -11.249 -14.971 1.00 0.00 H new ATOM 0 HG2 ARG A 88 4.977 -13.418 -13.514 1.00 0.00 H new ATOM 0 HG3 ARG A 88 3.572 -13.849 -14.468 1.00 0.00 H new ATOM 0 HD2 ARG A 88 4.980 -13.536 -16.568 1.00 0.00 H new ATOM 0 HD3 ARG A 88 6.376 -13.279 -15.541 1.00 0.00 H new ATOM 0 HE ARG A 88 5.365 -15.679 -14.580 1.00 0.00 H new ATOM 0 HH11 ARG A 88 6.234 -14.497 -17.808 1.00 0.00 H new ATOM 0 HH12 ARG A 88 6.669 -16.099 -18.410 1.00 0.00 H new ATOM 0 HH21 ARG A 88 5.926 -17.754 -15.356 1.00 0.00 H new ATOM 0 HH22 ARG A 88 6.494 -17.950 -17.017 1.00 0.00 H new ATOM 1390 N SER A 89 2.368 -13.114 -12.671 1.00 0.00 N ATOM 1391 CA SER A 89 1.182 -13.876 -12.320 1.00 0.00 C ATOM 1392 C SER A 89 0.635 -13.401 -10.973 1.00 0.00 C ATOM 1393 O SER A 89 -0.406 -13.875 -10.520 1.00 0.00 O ATOM 1394 CB SER A 89 1.483 -15.375 -12.274 1.00 0.00 C ATOM 1395 OG SER A 89 0.297 -16.161 -12.327 1.00 0.00 O ATOM 0 H SER A 89 3.244 -13.632 -12.602 1.00 0.00 H new ATOM 0 HA SER A 89 0.428 -13.709 -13.089 1.00 0.00 H new ATOM 0 HB2 SER A 89 2.131 -15.640 -13.110 1.00 0.00 H new ATOM 0 HB3 SER A 89 2.030 -15.607 -11.360 1.00 0.00 H new ATOM 0 HG SER A 89 -0.391 -15.754 -11.759 1.00 0.00 H new ATOM 1401 N LYS A 90 1.363 -12.474 -10.367 1.00 0.00 N ATOM 1402 CA LYS A 90 0.964 -11.931 -9.079 1.00 0.00 C ATOM 1403 C LYS A 90 0.120 -10.675 -9.300 1.00 0.00 C ATOM 1404 O LYS A 90 -0.426 -10.114 -8.350 1.00 0.00 O ATOM 1405 CB LYS A 90 2.189 -11.703 -8.192 1.00 0.00 C ATOM 1406 CG LYS A 90 2.254 -12.741 -7.069 1.00 0.00 C ATOM 1407 CD LYS A 90 3.558 -12.612 -6.279 1.00 0.00 C ATOM 1408 CE LYS A 90 3.519 -13.473 -5.015 1.00 0.00 C ATOM 1409 NZ LYS A 90 3.218 -12.640 -3.829 1.00 0.00 N ATOM 0 H LYS A 90 2.227 -12.085 -10.744 1.00 0.00 H new ATOM 0 HA LYS A 90 0.339 -12.644 -8.541 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.095 -11.758 -8.796 1.00 0.00 H new ATOM 0 HB3 LYS A 90 2.151 -10.701 -7.764 1.00 0.00 H new ATOM 0 HG2 LYS A 90 1.404 -12.611 -6.399 1.00 0.00 H new ATOM 0 HG3 LYS A 90 2.177 -13.743 -7.490 1.00 0.00 H new ATOM 0 HD2 LYS A 90 4.398 -12.915 -6.904 1.00 0.00 H new ATOM 0 HD3 LYS A 90 3.722 -11.569 -6.008 1.00 0.00 H new ATOM 0 HE2 LYS A 90 2.763 -14.251 -5.121 1.00 0.00 H new ATOM 0 HE3 LYS A 90 4.477 -13.975 -4.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 3.195 -13.240 -2.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 3.954 -11.913 -3.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 2.293 -12.181 -3.953 1.00 0.00 H new ATOM 1423 N ILE A 91 0.041 -10.267 -10.559 1.00 0.00 N ATOM 1424 CA ILE A 91 -0.727 -9.086 -10.915 1.00 0.00 C ATOM 1425 C ILE A 91 -1.609 -9.403 -12.124 1.00 0.00 C ATOM 1426 O ILE A 91 -2.773 -9.008 -12.168 1.00 0.00 O ATOM 1427 CB ILE A 91 0.201 -7.889 -11.128 1.00 0.00 C ATOM 1428 CG1 ILE A 91 0.674 -7.813 -12.582 1.00 0.00 C ATOM 1429 CG2 ILE A 91 1.372 -7.920 -10.145 1.00 0.00 C ATOM 1430 CD1 ILE A 91 1.433 -6.511 -12.844 1.00 0.00 C ATOM 0 H ILE A 91 0.496 -10.733 -11.344 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.393 -8.803 -10.099 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.364 -6.979 -10.925 1.00 0.00 H new ATOM 0 HG12 ILE A 91 1.318 -8.664 -12.804 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.184 -7.879 -13.251 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.016 -7.058 -10.319 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.991 -7.889 -9.124 1.00 0.00 H new ATOM 0 HG23 ILE A 91 1.945 -8.836 -10.290 1.00 0.00 H new ATOM 0 HD11 ILE A 91 1.758 -6.482 -13.884 1.00 0.00 H new ATOM 0 HD12 ILE A 91 0.779 -5.662 -12.645 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.304 -6.460 -12.190 1.00 0.00 H new ATOM 1442 N THR A 92 -1.021 -10.113 -13.076 1.00 0.00 N ATOM 1443 CA THR A 92 -1.740 -10.488 -14.282 1.00 0.00 C ATOM 1444 C THR A 92 -3.230 -10.665 -13.983 1.00 0.00 C ATOM 1445 O THR A 92 -3.597 -11.148 -12.913 1.00 0.00 O ATOM 1446 CB THR A 92 -1.080 -11.744 -14.855 1.00 0.00 C ATOM 1447 OG1 THR A 92 -1.572 -11.818 -16.190 1.00 0.00 O ATOM 1448 CG2 THR A 92 -1.594 -13.026 -14.197 1.00 0.00 C ATOM 0 H THR A 92 -0.055 -10.438 -13.037 1.00 0.00 H new ATOM 0 HA THR A 92 -1.685 -9.702 -15.036 1.00 0.00 H new ATOM 0 HB THR A 92 0.000 -11.677 -14.726 1.00 0.00 H new ATOM 0 HG1 THR A 92 -1.192 -12.604 -16.636 1.00 0.00 H new ATOM 0 HG21 THR A 92 -1.094 -13.888 -14.639 1.00 0.00 H new ATOM 0 HG22 THR A 92 -1.385 -12.995 -13.128 1.00 0.00 H new ATOM 0 HG23 THR A 92 -2.669 -13.110 -14.355 1.00 0.00 H new ATOM 1456 N LYS A 93 -4.046 -10.267 -14.947 1.00 0.00 N ATOM 1457 CA LYS A 93 -5.487 -10.378 -14.800 1.00 0.00 C ATOM 1458 C LYS A 93 -6.091 -10.894 -16.107 1.00 0.00 C ATOM 1459 O LYS A 93 -6.355 -10.115 -17.023 1.00 0.00 O ATOM 1460 CB LYS A 93 -6.080 -9.048 -14.330 1.00 0.00 C ATOM 1461 CG LYS A 93 -6.102 -8.966 -12.802 1.00 0.00 C ATOM 1462 CD LYS A 93 -7.232 -8.056 -12.317 1.00 0.00 C ATOM 1463 CE LYS A 93 -7.997 -8.702 -11.159 1.00 0.00 C ATOM 1464 NZ LYS A 93 -9.248 -7.959 -10.888 1.00 0.00 N ATOM 0 H LYS A 93 -3.737 -9.867 -15.833 1.00 0.00 H new ATOM 0 HA LYS A 93 -5.737 -11.104 -14.026 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -5.494 -8.222 -14.734 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -7.093 -8.940 -14.718 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -6.229 -9.964 -12.383 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -5.146 -8.588 -12.441 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -6.821 -7.099 -11.997 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -7.917 -7.850 -13.140 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -8.228 -9.739 -11.401 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -7.373 -8.715 -10.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -9.756 -8.410 -10.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -9.020 -6.976 -10.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -9.848 -7.969 -11.737 1.00 0.00 H new ATOM 1478 N PRO A 94 -6.298 -12.237 -16.155 1.00 0.00 N ATOM 1479 CA PRO A 94 -6.866 -12.865 -17.336 1.00 0.00 C ATOM 1480 C PRO A 94 -8.370 -12.595 -17.430 1.00 0.00 C ATOM 1481 O PRO A 94 -8.887 -12.317 -18.512 1.00 0.00 O ATOM 1482 CB PRO A 94 -6.536 -14.341 -17.194 1.00 0.00 C ATOM 1483 CG PRO A 94 -6.206 -14.554 -15.724 1.00 0.00 C ATOM 1484 CD PRO A 94 -5.998 -13.189 -15.090 1.00 0.00 C ATOM 0 HA PRO A 94 -6.455 -12.466 -18.264 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -7.379 -14.961 -17.499 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -5.693 -14.616 -17.828 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -7.015 -15.087 -15.225 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -5.309 -15.164 -15.619 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -6.657 -13.046 -14.233 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -4.976 -13.071 -14.730 1.00 0.00 H new ATOM 1492 N SER A 95 -9.028 -12.685 -16.285 1.00 0.00 N ATOM 1493 CA SER A 95 -10.461 -12.456 -16.226 1.00 0.00 C ATOM 1494 C SER A 95 -10.930 -12.452 -14.768 1.00 0.00 C ATOM 1495 O SER A 95 -10.261 -13.002 -13.896 1.00 0.00 O ATOM 1496 CB SER A 95 -11.223 -13.513 -17.026 1.00 0.00 C ATOM 1497 OG SER A 95 -12.381 -12.973 -17.658 1.00 0.00 O ATOM 0 H SER A 95 -8.595 -12.913 -15.390 1.00 0.00 H new ATOM 0 HA SER A 95 -10.670 -11.484 -16.672 1.00 0.00 H new ATOM 0 HB2 SER A 95 -10.564 -13.941 -17.782 1.00 0.00 H new ATOM 0 HB3 SER A 95 -11.518 -14.326 -16.363 1.00 0.00 H new ATOM 0 HG SER A 95 -12.839 -13.679 -18.160 1.00 0.00 H new ATOM 1503 N GLU A 96 -12.079 -11.827 -14.552 1.00 0.00 N ATOM 1504 CA GLU A 96 -12.645 -11.746 -13.216 1.00 0.00 C ATOM 1505 C GLU A 96 -13.969 -10.980 -13.248 1.00 0.00 C ATOM 1506 O GLU A 96 -14.298 -10.338 -14.245 1.00 0.00 O ATOM 1507 CB GLU A 96 -11.660 -11.098 -12.241 1.00 0.00 C ATOM 1508 CG GLU A 96 -11.528 -11.928 -10.964 1.00 0.00 C ATOM 1509 CD GLU A 96 -11.345 -11.028 -9.740 1.00 0.00 C ATOM 1510 OE1 GLU A 96 -11.999 -9.963 -9.717 1.00 0.00 O ATOM 1511 OE2 GLU A 96 -10.554 -11.424 -8.858 1.00 0.00 O ATOM 0 H GLU A 96 -12.632 -11.373 -15.279 1.00 0.00 H new ATOM 0 HA GLU A 96 -12.841 -12.758 -12.863 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -10.684 -10.998 -12.717 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -11.998 -10.092 -11.992 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -12.416 -12.547 -10.835 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -10.678 -12.605 -11.052 1.00 0.00 H new ATOM 1518 N SER A 97 -14.696 -11.074 -12.145 1.00 0.00 N ATOM 1519 CA SER A 97 -15.979 -10.397 -12.033 1.00 0.00 C ATOM 1520 C SER A 97 -17.022 -11.108 -12.897 1.00 0.00 C ATOM 1521 O SER A 97 -16.705 -11.599 -13.980 1.00 0.00 O ATOM 1522 CB SER A 97 -15.863 -8.928 -12.441 1.00 0.00 C ATOM 1523 OG SER A 97 -16.783 -8.103 -11.731 1.00 0.00 O ATOM 0 H SER A 97 -14.422 -11.608 -11.320 1.00 0.00 H new ATOM 0 HA SER A 97 -16.295 -10.432 -10.991 1.00 0.00 H new ATOM 0 HB2 SER A 97 -14.847 -8.580 -12.257 1.00 0.00 H new ATOM 0 HB3 SER A 97 -16.043 -8.834 -13.512 1.00 0.00 H new ATOM 0 HG SER A 97 -16.677 -7.172 -12.018 1.00 0.00 H new ATOM 1529 N ILE A 98 -18.244 -11.139 -12.388 1.00 0.00 N ATOM 1530 CA ILE A 98 -19.336 -11.782 -13.100 1.00 0.00 C ATOM 1531 C ILE A 98 -20.620 -10.979 -12.887 1.00 0.00 C ATOM 1532 O ILE A 98 -20.738 -10.235 -11.914 1.00 0.00 O ATOM 1533 CB ILE A 98 -19.452 -13.252 -12.689 1.00 0.00 C ATOM 1534 CG1 ILE A 98 -20.296 -14.036 -13.696 1.00 0.00 C ATOM 1535 CG2 ILE A 98 -19.996 -13.380 -11.264 1.00 0.00 C ATOM 1536 CD1 ILE A 98 -19.967 -15.529 -13.639 1.00 0.00 C ATOM 0 H ILE A 98 -18.503 -10.729 -11.491 1.00 0.00 H new ATOM 0 HA ILE A 98 -19.140 -11.791 -14.172 1.00 0.00 H new ATOM 0 HB ILE A 98 -18.454 -13.689 -12.694 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -21.355 -13.885 -13.485 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -20.114 -13.658 -14.702 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -20.069 -14.434 -10.996 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -19.323 -12.875 -10.571 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -20.984 -12.922 -11.209 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -20.580 -16.065 -14.364 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -18.913 -15.679 -13.874 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -20.173 -15.909 -12.638 1.00 0.00 H new ATOM 1548 N ILE A 99 -21.553 -11.156 -13.812 1.00 0.00 N ATOM 1549 CA ILE A 99 -22.824 -10.458 -13.737 1.00 0.00 C ATOM 1550 C ILE A 99 -23.848 -11.345 -13.025 1.00 0.00 C ATOM 1551 O ILE A 99 -24.067 -12.487 -13.423 1.00 0.00 O ATOM 1552 CB ILE A 99 -23.268 -10.003 -15.129 1.00 0.00 C ATOM 1553 CG1 ILE A 99 -22.273 -9.003 -15.721 1.00 0.00 C ATOM 1554 CG2 ILE A 99 -24.691 -9.441 -15.094 1.00 0.00 C ATOM 1555 CD1 ILE A 99 -22.057 -7.818 -14.779 1.00 0.00 C ATOM 0 H ILE A 99 -21.453 -11.774 -14.618 1.00 0.00 H new ATOM 0 HA ILE A 99 -22.724 -9.548 -13.145 1.00 0.00 H new ATOM 0 HB ILE A 99 -23.281 -10.873 -15.785 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -21.321 -9.500 -15.909 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -22.641 -8.645 -16.682 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -24.982 -9.125 -16.096 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -25.378 -10.211 -14.743 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -24.728 -8.586 -14.419 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -21.345 -7.123 -15.225 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -23.006 -7.308 -14.612 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -21.666 -8.177 -13.827 1.00 0.00 H new ATOM 1567 N THR A 100 -24.445 -10.785 -11.984 1.00 0.00 N ATOM 1568 CA THR A 100 -25.441 -11.510 -11.213 1.00 0.00 C ATOM 1569 C THR A 100 -26.832 -11.313 -11.817 1.00 0.00 C ATOM 1570 O THR A 100 -27.012 -10.491 -12.714 1.00 0.00 O ATOM 1571 CB THR A 100 -25.339 -11.049 -9.758 1.00 0.00 C ATOM 1572 OG1 THR A 100 -26.227 -11.916 -9.057 1.00 0.00 O ATOM 1573 CG2 THR A 100 -25.932 -9.656 -9.542 1.00 0.00 C ATOM 0 H THR A 100 -24.258 -9.837 -11.656 1.00 0.00 H new ATOM 0 HA THR A 100 -25.259 -12.584 -11.243 1.00 0.00 H new ATOM 0 HB THR A 100 -24.294 -11.050 -9.449 1.00 0.00 H new ATOM 0 HG1 THR A 100 -26.222 -11.688 -8.104 1.00 0.00 H new ATOM 0 HG21 THR A 100 -25.834 -9.377 -8.493 1.00 0.00 H new ATOM 0 HG22 THR A 100 -25.399 -8.934 -10.161 1.00 0.00 H new ATOM 0 HG23 THR A 100 -26.986 -9.663 -9.818 1.00 0.00 H new ATOM 1581 N THR A 101 -27.780 -12.082 -11.302 1.00 0.00 N ATOM 1582 CA THR A 101 -29.150 -12.003 -11.781 1.00 0.00 C ATOM 1583 C THR A 101 -29.920 -10.923 -11.017 1.00 0.00 C ATOM 1584 O THR A 101 -29.586 -10.609 -9.876 1.00 0.00 O ATOM 1585 CB THR A 101 -29.775 -13.394 -11.659 1.00 0.00 C ATOM 1586 OG1 THR A 101 -31.094 -13.227 -12.169 1.00 0.00 O ATOM 1587 CG2 THR A 101 -29.988 -13.815 -10.204 1.00 0.00 C ATOM 0 H THR A 101 -27.627 -12.763 -10.558 1.00 0.00 H new ATOM 0 HA THR A 101 -29.186 -11.705 -12.829 1.00 0.00 H new ATOM 0 HB THR A 101 -29.137 -14.124 -12.158 1.00 0.00 H new ATOM 0 HG1 THR A 101 -31.571 -14.082 -12.129 1.00 0.00 H new ATOM 0 HG21 THR A 101 -30.434 -14.809 -10.174 1.00 0.00 H new ATOM 0 HG22 THR A 101 -29.029 -13.832 -9.686 1.00 0.00 H new ATOM 0 HG23 THR A 101 -30.653 -13.104 -9.713 1.00 0.00 H new ATOM 1595 N ILE A 102 -30.933 -10.384 -11.678 1.00 0.00 N ATOM 1596 CA ILE A 102 -31.752 -9.346 -11.076 1.00 0.00 C ATOM 1597 C ILE A 102 -33.221 -9.768 -11.129 1.00 0.00 C ATOM 1598 O ILE A 102 -33.562 -10.770 -11.754 1.00 0.00 O ATOM 1599 CB ILE A 102 -31.476 -7.994 -11.738 1.00 0.00 C ATOM 1600 CG1 ILE A 102 -31.758 -6.842 -10.771 1.00 0.00 C ATOM 1601 CG2 ILE A 102 -32.262 -7.853 -13.043 1.00 0.00 C ATOM 1602 CD1 ILE A 102 -30.665 -5.774 -10.859 1.00 0.00 C ATOM 0 H ILE A 102 -31.206 -10.647 -12.625 1.00 0.00 H new ATOM 0 HA ILE A 102 -31.494 -9.218 -10.025 1.00 0.00 H new ATOM 0 HB ILE A 102 -30.417 -7.948 -11.993 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -32.726 -6.397 -11.002 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -31.818 -7.224 -9.752 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -32.048 -6.884 -13.494 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -31.969 -8.646 -13.732 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -33.329 -7.929 -12.835 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -30.889 -4.966 -10.162 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -29.702 -6.217 -10.604 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -30.625 -5.377 -11.873 1.00 0.00 H new ATOM 1614 N ASP A 103 -34.054 -8.979 -10.463 1.00 0.00 N ATOM 1615 CA ASP A 103 -35.480 -9.260 -10.426 1.00 0.00 C ATOM 1616 C ASP A 103 -36.001 -9.422 -11.854 1.00 0.00 C ATOM 1617 O ASP A 103 -35.265 -9.202 -12.816 1.00 0.00 O ATOM 1618 CB ASP A 103 -36.248 -8.112 -9.769 1.00 0.00 C ATOM 1619 CG ASP A 103 -36.831 -8.428 -8.390 1.00 0.00 C ATOM 1620 OD1 ASP A 103 -36.819 -9.625 -8.031 1.00 0.00 O ATOM 1621 OD2 ASP A 103 -37.276 -7.466 -7.729 1.00 0.00 O ATOM 0 H ASP A 103 -33.769 -8.147 -9.946 1.00 0.00 H new ATOM 0 HA ASP A 103 -35.630 -10.172 -9.849 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -35.581 -7.255 -9.677 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -37.061 -7.814 -10.431 1.00 0.00 H new