USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=22 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 30 HIS : no HD1:sc= -5.28! C(o=-4!,f=-20!) USER MOD Set 1.2: A 34 TYR OH : rot 72:sc= 1.24 USER MOD Set 2.1: A 25 THR OG1 : rot -73:sc= 1.99 USER MOD Set 2.2: A 37 THR OG1 : rot 35:sc= 1.16 USER MOD Set 3.1: A 19 HIS : no HE2:sc= -2.99! C(o=-5.7!,f=-8.7!) USER MOD Set 3.2: A 24 SER OG : rot 160:sc= -2.68! 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= 0.244 USER MOD Single : A 17 GLN : amide:sc= -0.0897 K(o=-0.09,f=-0.94) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -8.76! C(o=-8.8!,f=-4.3!) USER MOD Single : A 21 ASN : amide:sc=-0.00867 K(o=-0.0087,f=-2.6!) 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 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= -11.3! C(o=-11!,f=-16!) USER MOD Single : A 53 GLN : amide:sc= -7.52! C(o=-7.5!,f=-15!) USER MOD Single : A 59 THR OG1 : rot -130:sc= -1.75! USER MOD Single : A 61 ASN : amide:sc= -0.0233 X(o=-0.023,f=0) USER MOD Single : A 67 HIS : no HE2:sc= -5.78! C(o=-5.8!,f=-13!) USER MOD Single : A 68 SER OG : rot 180:sc= 0.0729 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot -53:sc= 0.0251 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot -25:sc= 0.242 USER MOD Single : A 84 HIS : no HD1:sc= -15.4! C(o=-15!,f=-14!) USER MOD Single : A 89 SER OG : rot -27:sc= 0.272 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 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 USER MOD Single : A 101 THR OG1 : rot 180:sc= -0.177 USER MOD ----------------------------------------------------------------- ATOM 95 N VAL A 8 12.685 -2.324 -23.697 1.00 0.00 N ATOM 96 CA VAL A 8 12.517 -3.053 -22.452 1.00 0.00 C ATOM 97 C VAL A 8 12.012 -4.465 -22.756 1.00 0.00 C ATOM 98 O VAL A 8 12.718 -5.445 -22.518 1.00 0.00 O ATOM 99 CB VAL A 8 11.590 -2.278 -21.513 1.00 0.00 C ATOM 100 CG1 VAL A 8 10.675 -1.338 -22.300 1.00 0.00 C ATOM 101 CG2 VAL A 8 10.775 -3.230 -20.635 1.00 0.00 C ATOM 0 HA VAL A 8 13.472 -3.153 -21.937 1.00 0.00 H new ATOM 0 HB VAL A 8 12.212 -1.669 -20.857 1.00 0.00 H new ATOM 0 HG11 VAL A 8 10.026 -0.799 -21.609 1.00 0.00 H new ATOM 0 HG12 VAL A 8 11.280 -0.625 -22.860 1.00 0.00 H new ATOM 0 HG13 VAL A 8 10.065 -1.919 -22.992 1.00 0.00 H new ATOM 0 HG21 VAL A 8 10.125 -2.652 -19.978 1.00 0.00 H new ATOM 0 HG22 VAL A 8 10.168 -3.878 -21.267 1.00 0.00 H new ATOM 0 HG23 VAL A 8 11.450 -3.839 -20.034 1.00 0.00 H new ATOM 111 N LYS A 9 10.796 -4.525 -23.277 1.00 0.00 N ATOM 112 CA LYS A 9 10.190 -5.802 -23.617 1.00 0.00 C ATOM 113 C LYS A 9 9.705 -6.487 -22.337 1.00 0.00 C ATOM 114 O LYS A 9 8.545 -6.883 -22.243 1.00 0.00 O ATOM 115 CB LYS A 9 11.156 -6.652 -24.441 1.00 0.00 C ATOM 116 CG LYS A 9 10.463 -7.231 -25.675 1.00 0.00 C ATOM 117 CD LYS A 9 11.369 -8.231 -26.397 1.00 0.00 C ATOM 118 CE LYS A 9 11.258 -8.076 -27.914 1.00 0.00 C ATOM 119 NZ LYS A 9 10.945 -9.377 -28.547 1.00 0.00 N ATOM 0 H LYS A 9 10.214 -3.711 -23.472 1.00 0.00 H new ATOM 0 HA LYS A 9 9.316 -5.652 -24.251 1.00 0.00 H new ATOM 0 HB2 LYS A 9 12.007 -6.045 -24.749 1.00 0.00 H new ATOM 0 HB3 LYS A 9 11.548 -7.462 -23.826 1.00 0.00 H new ATOM 0 HG2 LYS A 9 9.537 -7.723 -25.378 1.00 0.00 H new ATOM 0 HG3 LYS A 9 10.192 -6.424 -26.356 1.00 0.00 H new ATOM 0 HD2 LYS A 9 12.403 -8.080 -26.087 1.00 0.00 H new ATOM 0 HD3 LYS A 9 11.096 -9.247 -26.111 1.00 0.00 H new ATOM 0 HE2 LYS A 9 10.481 -7.351 -28.155 1.00 0.00 H new ATOM 0 HE3 LYS A 9 12.193 -7.686 -28.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 10.873 -9.254 -29.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 11.701 -10.058 -28.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 10.041 -9.734 -28.177 1.00 0.00 H new ATOM 133 N TYR A 10 10.618 -6.605 -21.385 1.00 0.00 N ATOM 134 CA TYR A 10 10.299 -7.237 -20.115 1.00 0.00 C ATOM 135 C TYR A 10 10.879 -6.440 -18.945 1.00 0.00 C ATOM 136 O TYR A 10 12.074 -6.150 -18.921 1.00 0.00 O ATOM 137 CB TYR A 10 10.956 -8.618 -20.153 1.00 0.00 C ATOM 138 CG TYR A 10 11.815 -8.863 -21.395 1.00 0.00 C ATOM 139 CD1 TYR A 10 13.095 -8.354 -21.460 1.00 0.00 C ATOM 140 CD2 TYR A 10 11.308 -9.597 -22.450 1.00 0.00 C ATOM 141 CE1 TYR A 10 13.903 -8.586 -22.631 1.00 0.00 C ATOM 142 CE2 TYR A 10 12.116 -9.828 -23.618 1.00 0.00 C ATOM 143 CZ TYR A 10 13.374 -9.312 -23.652 1.00 0.00 C ATOM 144 OH TYR A 10 14.137 -9.532 -24.756 1.00 0.00 O ATOM 0 H TYR A 10 11.579 -6.274 -21.467 1.00 0.00 H new ATOM 0 HA TYR A 10 9.219 -7.293 -19.975 1.00 0.00 H new ATOM 0 HB2 TYR A 10 11.576 -8.739 -19.265 1.00 0.00 H new ATOM 0 HB3 TYR A 10 10.179 -9.381 -20.105 1.00 0.00 H new ATOM 0 HD1 TYR A 10 13.492 -7.782 -20.634 1.00 0.00 H new ATOM 0 HD2 TYR A 10 10.306 -9.997 -22.398 1.00 0.00 H new ATOM 0 HE1 TYR A 10 14.906 -8.192 -22.696 1.00 0.00 H new ATOM 0 HE2 TYR A 10 11.732 -10.399 -24.450 1.00 0.00 H new ATOM 0 HH TYR A 10 13.630 -10.066 -25.403 1.00 0.00 H new ATOM 154 N TYR A 11 10.006 -6.110 -18.005 1.00 0.00 N ATOM 155 CA TYR A 11 10.418 -5.353 -16.834 1.00 0.00 C ATOM 156 C TYR A 11 9.898 -6.003 -15.550 1.00 0.00 C ATOM 157 O TYR A 11 9.045 -6.886 -15.599 1.00 0.00 O ATOM 158 CB TYR A 11 9.784 -3.968 -16.985 1.00 0.00 C ATOM 159 CG TYR A 11 10.799 -2.836 -17.160 1.00 0.00 C ATOM 160 CD1 TYR A 11 12.035 -2.915 -16.550 1.00 0.00 C ATOM 161 CD2 TYR A 11 10.477 -1.735 -17.927 1.00 0.00 C ATOM 162 CE1 TYR A 11 12.988 -1.850 -16.715 1.00 0.00 C ATOM 163 CE2 TYR A 11 11.431 -0.669 -18.091 1.00 0.00 C ATOM 164 CZ TYR A 11 12.640 -0.779 -17.478 1.00 0.00 C ATOM 165 OH TYR A 11 13.541 0.228 -17.632 1.00 0.00 O ATOM 0 H TYR A 11 9.016 -6.352 -18.030 1.00 0.00 H new ATOM 0 HA TYR A 11 11.505 -5.310 -16.766 1.00 0.00 H new ATOM 0 HB2 TYR A 11 9.114 -3.978 -17.845 1.00 0.00 H new ATOM 0 HB3 TYR A 11 9.172 -3.762 -16.107 1.00 0.00 H new ATOM 0 HD1 TYR A 11 12.286 -3.776 -15.949 1.00 0.00 H new ATOM 0 HD2 TYR A 11 9.510 -1.673 -18.404 1.00 0.00 H new ATOM 0 HE1 TYR A 11 13.958 -1.900 -16.243 1.00 0.00 H new ATOM 0 HE2 TYR A 11 11.192 0.199 -18.688 1.00 0.00 H new ATOM 0 HH TYR A 11 13.157 0.926 -18.203 1.00 0.00 H new ATOM 175 N THR A 12 10.436 -5.538 -14.431 1.00 0.00 N ATOM 176 CA THR A 12 10.037 -6.063 -13.136 1.00 0.00 C ATOM 177 C THR A 12 9.174 -5.044 -12.390 1.00 0.00 C ATOM 178 O THR A 12 9.288 -3.841 -12.623 1.00 0.00 O ATOM 179 CB THR A 12 11.304 -6.460 -12.376 1.00 0.00 C ATOM 180 OG1 THR A 12 11.921 -5.215 -12.056 1.00 0.00 O ATOM 181 CG2 THR A 12 12.326 -7.164 -13.270 1.00 0.00 C ATOM 0 H THR A 12 11.144 -4.804 -14.395 1.00 0.00 H new ATOM 0 HA THR A 12 9.414 -6.951 -13.244 1.00 0.00 H new ATOM 0 HB THR A 12 11.039 -7.113 -11.544 1.00 0.00 H new ATOM 0 HG1 THR A 12 12.750 -5.379 -11.560 1.00 0.00 H new ATOM 0 HG21 THR A 12 13.206 -7.424 -12.682 1.00 0.00 H new ATOM 0 HG22 THR A 12 11.884 -8.071 -13.683 1.00 0.00 H new ATOM 0 HG23 THR A 12 12.617 -6.499 -14.083 1.00 0.00 H new ATOM 189 N LEU A 13 8.331 -5.560 -11.509 1.00 0.00 N ATOM 190 CA LEU A 13 7.450 -4.710 -10.728 1.00 0.00 C ATOM 191 C LEU A 13 8.253 -3.538 -10.160 1.00 0.00 C ATOM 192 O LEU A 13 7.748 -2.419 -10.072 1.00 0.00 O ATOM 193 CB LEU A 13 6.721 -5.529 -9.660 1.00 0.00 C ATOM 194 CG LEU A 13 5.298 -5.969 -10.010 1.00 0.00 C ATOM 195 CD1 LEU A 13 4.572 -6.507 -8.776 1.00 0.00 C ATOM 196 CD2 LEU A 13 4.523 -4.836 -10.685 1.00 0.00 C ATOM 0 H LEU A 13 8.239 -6.558 -11.318 1.00 0.00 H new ATOM 0 HA LEU A 13 6.669 -4.288 -11.361 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.313 -6.419 -9.445 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.684 -4.942 -8.742 1.00 0.00 H new ATOM 0 HG LEU A 13 5.360 -6.787 -10.728 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.563 -6.813 -9.052 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.115 -7.365 -8.379 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.520 -5.727 -8.016 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.515 -5.176 -10.923 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.468 -3.981 -10.011 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.033 -4.543 -11.603 1.00 0.00 H new ATOM 208 N GLU A 14 9.490 -3.832 -9.789 1.00 0.00 N ATOM 209 CA GLU A 14 10.366 -2.817 -9.231 1.00 0.00 C ATOM 210 C GLU A 14 10.698 -1.762 -10.290 1.00 0.00 C ATOM 211 O GLU A 14 10.542 -0.567 -10.050 1.00 0.00 O ATOM 212 CB GLU A 14 11.642 -3.444 -8.666 1.00 0.00 C ATOM 213 CG GLU A 14 11.799 -3.120 -7.179 1.00 0.00 C ATOM 214 CD GLU A 14 11.520 -4.354 -6.316 1.00 0.00 C ATOM 215 OE1 GLU A 14 12.312 -5.315 -6.429 1.00 0.00 O ATOM 216 OE2 GLU A 14 10.523 -4.307 -5.564 1.00 0.00 O ATOM 0 H GLU A 14 9.907 -4.760 -9.864 1.00 0.00 H new ATOM 0 HA GLU A 14 9.845 -2.328 -8.408 1.00 0.00 H new ATOM 0 HB2 GLU A 14 11.613 -4.525 -8.805 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.508 -3.075 -9.216 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.809 -2.758 -6.987 1.00 0.00 H new ATOM 0 HG3 GLU A 14 11.115 -2.317 -6.904 1.00 0.00 H new ATOM 223 N GLU A 15 11.148 -2.245 -11.439 1.00 0.00 N ATOM 224 CA GLU A 15 11.502 -1.360 -12.535 1.00 0.00 C ATOM 225 C GLU A 15 10.343 -0.410 -12.846 1.00 0.00 C ATOM 226 O GLU A 15 10.561 0.755 -13.174 1.00 0.00 O ATOM 227 CB GLU A 15 11.904 -2.157 -13.777 1.00 0.00 C ATOM 228 CG GLU A 15 13.298 -2.769 -13.608 1.00 0.00 C ATOM 229 CD GLU A 15 14.388 -1.733 -13.889 1.00 0.00 C ATOM 230 OE1 GLU A 15 14.195 -0.575 -13.464 1.00 0.00 O ATOM 231 OE2 GLU A 15 15.391 -2.125 -14.525 1.00 0.00 O ATOM 0 H GLU A 15 11.275 -3.238 -11.634 1.00 0.00 H new ATOM 0 HA GLU A 15 12.363 -0.765 -12.231 1.00 0.00 H new ATOM 0 HB2 GLU A 15 11.175 -2.947 -13.958 1.00 0.00 H new ATOM 0 HB3 GLU A 15 11.892 -1.506 -14.651 1.00 0.00 H new ATOM 0 HG2 GLU A 15 13.410 -3.154 -12.594 1.00 0.00 H new ATOM 0 HG3 GLU A 15 13.412 -3.615 -14.285 1.00 0.00 H new ATOM 238 N ILE A 16 9.136 -0.943 -12.732 1.00 0.00 N ATOM 239 CA ILE A 16 7.942 -0.158 -12.998 1.00 0.00 C ATOM 240 C ILE A 16 7.660 0.752 -11.800 1.00 0.00 C ATOM 241 O ILE A 16 7.173 1.869 -11.967 1.00 0.00 O ATOM 242 CB ILE A 16 6.770 -1.072 -13.365 1.00 0.00 C ATOM 243 CG1 ILE A 16 7.226 -2.203 -14.288 1.00 0.00 C ATOM 244 CG2 ILE A 16 5.618 -0.267 -13.969 1.00 0.00 C ATOM 245 CD1 ILE A 16 6.624 -3.541 -13.856 1.00 0.00 C ATOM 0 H ILE A 16 8.959 -1.910 -12.459 1.00 0.00 H new ATOM 0 HA ILE A 16 8.095 0.488 -13.862 1.00 0.00 H new ATOM 0 HB ILE A 16 6.396 -1.534 -12.451 1.00 0.00 H new ATOM 0 HG12 ILE A 16 6.930 -1.982 -15.313 1.00 0.00 H new ATOM 0 HG13 ILE A 16 8.314 -2.269 -14.277 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.798 -0.939 -14.221 1.00 0.00 H new ATOM 0 HG22 ILE A 16 5.272 0.472 -13.246 1.00 0.00 H new ATOM 0 HG23 ILE A 16 5.962 0.240 -14.870 1.00 0.00 H new ATOM 0 HD11 ILE A 16 6.965 -4.328 -14.529 1.00 0.00 H new ATOM 0 HD12 ILE A 16 6.941 -3.771 -12.839 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.536 -3.479 -13.891 1.00 0.00 H new ATOM 257 N GLN A 17 7.978 0.240 -10.620 1.00 0.00 N ATOM 258 CA GLN A 17 7.764 0.993 -9.397 1.00 0.00 C ATOM 259 C GLN A 17 8.683 2.217 -9.358 1.00 0.00 C ATOM 260 O GLN A 17 8.314 3.258 -8.819 1.00 0.00 O ATOM 261 CB GLN A 17 7.978 0.111 -8.164 1.00 0.00 C ATOM 262 CG GLN A 17 6.999 0.481 -7.048 1.00 0.00 C ATOM 263 CD GLN A 17 7.734 0.690 -5.722 1.00 0.00 C ATOM 264 OE1 GLN A 17 8.777 0.113 -5.463 1.00 0.00 O ATOM 265 NE2 GLN A 17 7.132 1.546 -4.900 1.00 0.00 N ATOM 0 H GLN A 17 8.382 -0.687 -10.485 1.00 0.00 H new ATOM 0 HA GLN A 17 6.730 1.337 -9.384 1.00 0.00 H new ATOM 0 HB2 GLN A 17 7.847 -0.937 -8.435 1.00 0.00 H new ATOM 0 HB3 GLN A 17 9.002 0.222 -7.806 1.00 0.00 H new ATOM 0 HG2 GLN A 17 6.461 1.390 -7.317 1.00 0.00 H new ATOM 0 HG3 GLN A 17 6.255 -0.308 -6.935 1.00 0.00 H new ATOM 0 HE21 GLN A 17 6.260 1.994 -5.180 1.00 0.00 H new ATOM 0 HE22 GLN A 17 7.543 1.754 -3.990 1.00 0.00 H new ATOM 274 N LYS A 18 9.863 2.049 -9.938 1.00 0.00 N ATOM 275 CA LYS A 18 10.838 3.127 -9.979 1.00 0.00 C ATOM 276 C LYS A 18 10.350 4.213 -10.940 1.00 0.00 C ATOM 277 O LYS A 18 10.633 5.394 -10.741 1.00 0.00 O ATOM 278 CB LYS A 18 12.225 2.581 -10.318 1.00 0.00 C ATOM 279 CG LYS A 18 12.632 1.471 -9.347 1.00 0.00 C ATOM 280 CD LYS A 18 13.283 2.053 -8.092 1.00 0.00 C ATOM 281 CE LYS A 18 14.570 2.805 -8.439 1.00 0.00 C ATOM 282 NZ LYS A 18 15.423 2.956 -7.240 1.00 0.00 N ATOM 0 H LYS A 18 10.166 1.183 -10.383 1.00 0.00 H new ATOM 0 HA LYS A 18 10.936 3.591 -8.998 1.00 0.00 H new ATOM 0 HB2 LYS A 18 12.228 2.196 -11.338 1.00 0.00 H new ATOM 0 HB3 LYS A 18 12.956 3.388 -10.280 1.00 0.00 H new ATOM 0 HG2 LYS A 18 11.755 0.887 -9.069 1.00 0.00 H new ATOM 0 HG3 LYS A 18 13.326 0.789 -9.838 1.00 0.00 H new ATOM 0 HD2 LYS A 18 12.586 2.728 -7.596 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.505 1.251 -7.388 1.00 0.00 H new ATOM 0 HE2 LYS A 18 15.115 2.266 -9.214 1.00 0.00 H new ATOM 0 HE3 LYS A 18 14.326 3.787 -8.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 16.292 3.468 -7.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 14.907 3.490 -6.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 15.671 2.016 -6.870 1.00 0.00 H new ATOM 296 N HIS A 19 9.629 3.774 -11.961 1.00 0.00 N ATOM 297 CA HIS A 19 9.100 4.695 -12.953 1.00 0.00 C ATOM 298 C HIS A 19 7.698 5.146 -12.541 1.00 0.00 C ATOM 299 O HIS A 19 6.708 4.504 -12.886 1.00 0.00 O ATOM 300 CB HIS A 19 9.134 4.068 -14.349 1.00 0.00 C ATOM 301 CG HIS A 19 10.458 4.221 -15.059 1.00 0.00 C ATOM 302 ND1 HIS A 19 10.557 4.538 -16.402 1.00 0.00 N ATOM 303 CD2 HIS A 19 11.736 4.097 -14.598 1.00 0.00 C ATOM 304 CE1 HIS A 19 11.839 4.599 -16.726 1.00 0.00 C ATOM 305 NE2 HIS A 19 12.569 4.325 -15.605 1.00 0.00 N ATOM 0 H HIS A 19 9.399 2.794 -12.123 1.00 0.00 H new ATOM 0 HA HIS A 19 9.730 5.583 -13.000 1.00 0.00 H new ATOM 0 HB2 HIS A 19 8.899 3.007 -14.265 1.00 0.00 H new ATOM 0 HB3 HIS A 19 8.352 4.521 -14.959 1.00 0.00 H new ATOM 0 HD1 HIS A 19 9.774 4.698 -17.036 1.00 0.00 H new ATOM 0 HD2 HIS A 19 12.021 3.854 -13.585 1.00 0.00 H new ATOM 0 HE1 HIS A 19 12.237 4.825 -17.704 1.00 0.00 H new ATOM 314 N ASN A 20 7.658 6.248 -11.805 1.00 0.00 N ATOM 315 CA ASN A 20 6.393 6.794 -11.342 1.00 0.00 C ATOM 316 C ASN A 20 6.445 8.321 -11.411 1.00 0.00 C ATOM 317 O ASN A 20 5.740 9.004 -10.670 1.00 0.00 O ATOM 318 CB ASN A 20 6.122 6.395 -9.891 1.00 0.00 C ATOM 319 CG ASN A 20 4.909 7.143 -9.334 1.00 0.00 C ATOM 320 OD1 ASN A 20 4.849 7.502 -8.169 1.00 0.00 O ATOM 321 ND2 ASN A 20 3.949 7.359 -10.228 1.00 0.00 N ATOM 0 H ASN A 20 8.481 6.777 -11.518 1.00 0.00 H new ATOM 0 HA ASN A 20 5.601 6.400 -11.979 1.00 0.00 H new ATOM 0 HB2 ASN A 20 5.950 5.320 -9.832 1.00 0.00 H new ATOM 0 HB3 ASN A 20 6.999 6.611 -9.281 1.00 0.00 H new ATOM 0 HD21 ASN A 20 3.099 7.852 -9.954 1.00 0.00 H new ATOM 0 HD22 ASN A 20 4.063 7.032 -11.187 1.00 0.00 H new ATOM 328 N ASN A 21 7.287 8.813 -12.308 1.00 0.00 N ATOM 329 CA ASN A 21 7.440 10.247 -12.484 1.00 0.00 C ATOM 330 C ASN A 21 6.768 10.671 -13.790 1.00 0.00 C ATOM 331 O ASN A 21 6.437 9.829 -14.624 1.00 0.00 O ATOM 332 CB ASN A 21 8.917 10.638 -12.564 1.00 0.00 C ATOM 333 CG ASN A 21 9.472 10.980 -11.179 1.00 0.00 C ATOM 334 OD1 ASN A 21 8.997 11.873 -10.497 1.00 0.00 O ATOM 335 ND2 ASN A 21 10.497 10.222 -10.804 1.00 0.00 N ATOM 0 H ASN A 21 7.871 8.244 -12.921 1.00 0.00 H new ATOM 0 HA ASN A 21 6.982 10.742 -11.628 1.00 0.00 H new ATOM 0 HB2 ASN A 21 9.490 9.818 -12.997 1.00 0.00 H new ATOM 0 HB3 ASN A 21 9.034 11.494 -13.228 1.00 0.00 H new ATOM 0 HD21 ASN A 21 10.936 10.371 -9.895 1.00 0.00 H new ATOM 0 HD22 ASN A 21 10.845 9.491 -11.425 1.00 0.00 H new ATOM 342 N SER A 22 6.582 11.975 -13.928 1.00 0.00 N ATOM 343 CA SER A 22 5.954 12.522 -15.119 1.00 0.00 C ATOM 344 C SER A 22 6.867 12.322 -16.329 1.00 0.00 C ATOM 345 O SER A 22 6.465 12.576 -17.464 1.00 0.00 O ATOM 346 CB SER A 22 5.630 14.006 -14.938 1.00 0.00 C ATOM 347 OG SER A 22 6.805 14.809 -14.899 1.00 0.00 O ATOM 0 H SER A 22 6.856 12.670 -13.234 1.00 0.00 H new ATOM 0 HA SER A 22 5.017 11.991 -15.287 1.00 0.00 H new ATOM 0 HB2 SER A 22 4.990 14.339 -15.755 1.00 0.00 H new ATOM 0 HB3 SER A 22 5.066 14.144 -14.015 1.00 0.00 H new ATOM 0 HG SER A 22 6.555 15.750 -14.784 1.00 0.00 H new ATOM 353 N LYS A 23 8.080 11.869 -16.048 1.00 0.00 N ATOM 354 CA LYS A 23 9.053 11.633 -17.101 1.00 0.00 C ATOM 355 C LYS A 23 9.293 10.129 -17.239 1.00 0.00 C ATOM 356 O LYS A 23 9.918 9.681 -18.200 1.00 0.00 O ATOM 357 CB LYS A 23 10.330 12.437 -16.842 1.00 0.00 C ATOM 358 CG LYS A 23 11.174 11.787 -15.745 1.00 0.00 C ATOM 359 CD LYS A 23 11.678 12.833 -14.748 1.00 0.00 C ATOM 360 CE LYS A 23 13.205 12.816 -14.660 1.00 0.00 C ATOM 361 NZ LYS A 23 13.659 11.762 -13.726 1.00 0.00 N ATOM 0 H LYS A 23 8.411 11.659 -15.106 1.00 0.00 H new ATOM 0 HA LYS A 23 8.670 11.986 -18.059 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.913 12.507 -17.761 1.00 0.00 H new ATOM 0 HB3 LYS A 23 10.070 13.455 -16.551 1.00 0.00 H new ATOM 0 HG2 LYS A 23 10.581 11.037 -15.222 1.00 0.00 H new ATOM 0 HG3 LYS A 23 12.022 11.268 -16.193 1.00 0.00 H new ATOM 0 HD2 LYS A 23 11.339 13.823 -15.052 1.00 0.00 H new ATOM 0 HD3 LYS A 23 11.251 12.638 -13.764 1.00 0.00 H new ATOM 0 HE2 LYS A 23 13.630 12.642 -15.648 1.00 0.00 H new ATOM 0 HE3 LYS A 23 13.567 13.788 -14.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 14.698 11.764 -13.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 13.268 11.945 -12.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 13.330 10.835 -14.063 1.00 0.00 H new ATOM 375 N SER A 24 8.782 9.388 -16.266 1.00 0.00 N ATOM 376 CA SER A 24 8.932 7.944 -16.268 1.00 0.00 C ATOM 377 C SER A 24 7.691 7.287 -15.659 1.00 0.00 C ATOM 378 O SER A 24 7.771 6.659 -14.605 1.00 0.00 O ATOM 379 CB SER A 24 10.186 7.519 -15.501 1.00 0.00 C ATOM 380 OG SER A 24 11.245 7.142 -16.378 1.00 0.00 O ATOM 0 H SER A 24 8.264 9.762 -15.471 1.00 0.00 H new ATOM 0 HA SER A 24 9.041 7.614 -17.301 1.00 0.00 H new ATOM 0 HB2 SER A 24 10.517 8.339 -14.864 1.00 0.00 H new ATOM 0 HB3 SER A 24 9.944 6.683 -14.844 1.00 0.00 H new ATOM 0 HG SER A 24 12.099 7.188 -15.899 1.00 0.00 H new ATOM 386 N THR A 25 6.572 7.458 -16.348 1.00 0.00 N ATOM 387 CA THR A 25 5.316 6.890 -15.890 1.00 0.00 C ATOM 388 C THR A 25 5.117 5.491 -16.475 1.00 0.00 C ATOM 389 O THR A 25 4.668 5.348 -17.611 1.00 0.00 O ATOM 390 CB THR A 25 4.196 7.866 -16.253 1.00 0.00 C ATOM 391 OG1 THR A 25 4.870 9.101 -16.473 1.00 0.00 O ATOM 392 CG2 THR A 25 3.265 8.155 -15.072 1.00 0.00 C ATOM 0 H THR A 25 6.509 7.982 -17.221 1.00 0.00 H new ATOM 0 HA THR A 25 5.313 6.758 -14.808 1.00 0.00 H new ATOM 0 HB THR A 25 3.616 7.461 -17.082 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.158 9.474 -15.614 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.488 8.853 -15.384 1.00 0.00 H new ATOM 0 HG22 THR A 25 2.805 7.226 -14.736 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.839 8.592 -14.255 1.00 0.00 H new ATOM 400 N TRP A 26 5.460 4.494 -15.674 1.00 0.00 N ATOM 401 CA TRP A 26 5.325 3.111 -16.098 1.00 0.00 C ATOM 402 C TRP A 26 4.315 2.429 -15.174 1.00 0.00 C ATOM 403 O TRP A 26 4.299 2.683 -13.971 1.00 0.00 O ATOM 404 CB TRP A 26 6.684 2.408 -16.121 1.00 0.00 C ATOM 405 CG TRP A 26 7.347 2.380 -17.500 1.00 0.00 C ATOM 406 CD1 TRP A 26 7.658 1.310 -18.243 1.00 0.00 C ATOM 407 CD2 TRP A 26 7.770 3.522 -18.274 1.00 0.00 C ATOM 408 NE1 TRP A 26 8.249 1.677 -19.436 1.00 0.00 N ATOM 409 CE2 TRP A 26 8.320 3.065 -19.455 1.00 0.00 C ATOM 410 CE3 TRP A 26 7.693 4.896 -17.986 1.00 0.00 C ATOM 411 CZ2 TRP A 26 8.833 3.914 -20.442 1.00 0.00 C ATOM 412 CZ3 TRP A 26 8.209 5.732 -18.982 1.00 0.00 C ATOM 413 CH2 TRP A 26 8.765 5.288 -20.176 1.00 0.00 C ATOM 0 H TRP A 26 5.832 4.616 -14.732 1.00 0.00 H new ATOM 0 HA TRP A 26 4.953 3.057 -17.121 1.00 0.00 H new ATOM 0 HB2 TRP A 26 7.352 2.907 -15.418 1.00 0.00 H new ATOM 0 HB3 TRP A 26 6.558 1.384 -15.769 1.00 0.00 H new ATOM 0 HD1 TRP A 26 7.470 0.289 -17.946 1.00 0.00 H new ATOM 0 HE1 TRP A 26 8.574 1.046 -20.168 1.00 0.00 H new ATOM 0 HE3 TRP A 26 7.269 5.276 -17.068 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 9.258 3.531 -21.358 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 8.173 6.798 -18.811 1.00 0.00 H new ATOM 0 HH2 TRP A 26 9.143 5.999 -20.896 1.00 0.00 H new ATOM 424 N LEU A 27 3.496 1.577 -15.771 1.00 0.00 N ATOM 425 CA LEU A 27 2.485 0.855 -15.017 1.00 0.00 C ATOM 426 C LEU A 27 2.235 -0.504 -15.674 1.00 0.00 C ATOM 427 O LEU A 27 2.752 -0.777 -16.756 1.00 0.00 O ATOM 428 CB LEU A 27 1.222 1.706 -14.864 1.00 0.00 C ATOM 429 CG LEU A 27 0.174 1.556 -15.970 1.00 0.00 C ATOM 430 CD1 LEU A 27 0.840 1.398 -17.339 1.00 0.00 C ATOM 431 CD2 LEU A 27 -0.785 0.404 -15.662 1.00 0.00 C ATOM 0 H LEU A 27 3.512 1.370 -16.770 1.00 0.00 H new ATOM 0 HA LEU A 27 2.835 0.658 -14.004 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.754 1.458 -13.911 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.518 2.754 -14.811 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.420 2.469 -16.005 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.073 1.293 -18.107 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.448 2.277 -17.551 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.473 0.511 -17.335 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.520 0.318 -16.463 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.223 -0.527 -15.584 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.297 0.599 -14.719 1.00 0.00 H new ATOM 443 N ILE A 28 1.442 -1.317 -14.993 1.00 0.00 N ATOM 444 CA ILE A 28 1.118 -2.642 -15.498 1.00 0.00 C ATOM 445 C ILE A 28 -0.351 -2.674 -15.923 1.00 0.00 C ATOM 446 O ILE A 28 -1.216 -2.150 -15.221 1.00 0.00 O ATOM 447 CB ILE A 28 1.485 -3.713 -14.468 1.00 0.00 C ATOM 448 CG1 ILE A 28 2.501 -3.175 -13.457 1.00 0.00 C ATOM 449 CG2 ILE A 28 1.977 -4.987 -15.155 1.00 0.00 C ATOM 450 CD1 ILE A 28 3.925 -3.272 -14.009 1.00 0.00 C ATOM 0 H ILE A 28 1.014 -1.085 -14.097 1.00 0.00 H new ATOM 0 HA ILE A 28 1.712 -2.869 -16.383 1.00 0.00 H new ATOM 0 HB ILE A 28 0.586 -3.976 -13.911 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.269 -2.137 -13.219 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.428 -3.739 -12.527 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.231 -5.732 -14.401 1.00 0.00 H new ATOM 0 HG22 ILE A 28 1.191 -5.378 -15.801 1.00 0.00 H new ATOM 0 HG23 ILE A 28 2.860 -4.760 -15.753 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.628 -2.884 -13.272 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.162 -4.314 -14.223 1.00 0.00 H new ATOM 0 HD13 ILE A 28 4.000 -2.687 -14.926 1.00 0.00 H new ATOM 462 N LEU A 29 -0.590 -3.296 -17.068 1.00 0.00 N ATOM 463 CA LEU A 29 -1.940 -3.404 -17.594 1.00 0.00 C ATOM 464 C LEU A 29 -2.156 -4.815 -18.144 1.00 0.00 C ATOM 465 O LEU A 29 -1.536 -5.202 -19.134 1.00 0.00 O ATOM 466 CB LEU A 29 -2.207 -2.298 -18.617 1.00 0.00 C ATOM 467 CG LEU A 29 -3.540 -1.560 -18.475 1.00 0.00 C ATOM 468 CD1 LEU A 29 -3.975 -0.953 -19.810 1.00 0.00 C ATOM 469 CD2 LEU A 29 -4.614 -2.477 -17.886 1.00 0.00 C ATOM 0 H LEU A 29 0.129 -3.731 -17.646 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.671 -3.255 -16.800 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.401 -1.567 -18.551 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.161 -2.734 -19.615 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.401 -0.735 -17.776 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.925 -0.434 -19.681 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.219 -0.246 -20.152 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.091 -1.745 -20.549 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.551 -1.928 -17.796 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.758 -3.336 -18.541 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -4.298 -2.821 -16.901 1.00 0.00 H new ATOM 481 N HIS A 30 -3.039 -5.547 -17.479 1.00 0.00 N ATOM 482 CA HIS A 30 -3.344 -6.907 -17.889 1.00 0.00 C ATOM 483 C HIS A 30 -2.214 -7.840 -17.453 1.00 0.00 C ATOM 484 O HIS A 30 -2.467 -8.954 -16.994 1.00 0.00 O ATOM 485 CB HIS A 30 -3.620 -6.972 -19.391 1.00 0.00 C ATOM 486 CG HIS A 30 -4.313 -5.749 -19.944 1.00 0.00 C ATOM 487 ND1 HIS A 30 -3.744 -4.935 -20.907 1.00 0.00 N ATOM 488 CD2 HIS A 30 -5.533 -5.210 -19.656 1.00 0.00 C ATOM 489 CE1 HIS A 30 -4.591 -3.954 -21.180 1.00 0.00 C ATOM 490 NE2 HIS A 30 -5.699 -4.126 -20.403 1.00 0.00 N ATOM 0 H HIS A 30 -3.553 -5.223 -16.659 1.00 0.00 H new ATOM 0 HA HIS A 30 -4.256 -7.243 -17.396 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -2.676 -7.111 -19.917 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -4.233 -7.849 -19.599 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -6.243 -5.600 -18.941 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -4.432 -3.158 -21.892 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -6.520 -3.521 -20.397 1.00 0.00 H new ATOM 499 N TYR A 31 -0.992 -7.352 -17.609 1.00 0.00 N ATOM 500 CA TYR A 31 0.178 -8.130 -17.236 1.00 0.00 C ATOM 501 C TYR A 31 1.443 -7.556 -17.877 1.00 0.00 C ATOM 502 O TYR A 31 2.554 -7.951 -17.524 1.00 0.00 O ATOM 503 CB TYR A 31 -0.061 -9.539 -17.782 1.00 0.00 C ATOM 504 CG TYR A 31 1.133 -10.125 -18.538 1.00 0.00 C ATOM 505 CD1 TYR A 31 2.295 -10.434 -17.861 1.00 0.00 C ATOM 506 CD2 TYR A 31 1.047 -10.344 -19.898 1.00 0.00 C ATOM 507 CE1 TYR A 31 3.418 -10.984 -18.574 1.00 0.00 C ATOM 508 CE2 TYR A 31 2.172 -10.896 -20.611 1.00 0.00 C ATOM 509 CZ TYR A 31 3.300 -11.188 -19.913 1.00 0.00 C ATOM 510 OH TYR A 31 4.363 -11.709 -20.585 1.00 0.00 O ATOM 0 H TYR A 31 -0.786 -6.428 -17.988 1.00 0.00 H new ATOM 0 HA TYR A 31 0.318 -8.119 -16.155 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -0.313 -10.201 -16.953 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -0.924 -9.518 -18.447 1.00 0.00 H new ATOM 0 HD1 TYR A 31 2.362 -10.263 -16.797 1.00 0.00 H new ATOM 0 HD2 TYR A 31 0.138 -10.102 -20.428 1.00 0.00 H new ATOM 0 HE1 TYR A 31 4.334 -11.229 -18.057 1.00 0.00 H new ATOM 0 HE2 TYR A 31 2.119 -11.073 -21.675 1.00 0.00 H new ATOM 0 HH TYR A 31 4.137 -11.802 -21.534 1.00 0.00 H new ATOM 520 N LYS A 32 1.233 -6.635 -18.806 1.00 0.00 N ATOM 521 CA LYS A 32 2.343 -6.003 -19.497 1.00 0.00 C ATOM 522 C LYS A 32 2.573 -4.607 -18.915 1.00 0.00 C ATOM 523 O LYS A 32 1.761 -4.115 -18.134 1.00 0.00 O ATOM 524 CB LYS A 32 2.106 -6.009 -21.008 1.00 0.00 C ATOM 525 CG LYS A 32 1.630 -7.383 -21.484 1.00 0.00 C ATOM 526 CD LYS A 32 0.233 -7.296 -22.101 1.00 0.00 C ATOM 527 CE LYS A 32 0.158 -8.096 -23.404 1.00 0.00 C ATOM 528 NZ LYS A 32 -1.142 -7.872 -24.075 1.00 0.00 N ATOM 0 H LYS A 32 0.310 -6.311 -19.096 1.00 0.00 H new ATOM 0 HA LYS A 32 3.261 -6.568 -19.340 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.364 -5.254 -21.266 1.00 0.00 H new ATOM 0 HB3 LYS A 32 3.027 -5.740 -21.525 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.331 -7.781 -22.218 1.00 0.00 H new ATOM 0 HG3 LYS A 32 1.618 -8.078 -20.645 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -0.505 -7.675 -21.394 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -0.018 -6.253 -22.295 1.00 0.00 H new ATOM 0 HE2 LYS A 32 0.972 -7.801 -24.066 1.00 0.00 H new ATOM 0 HE3 LYS A 32 0.287 -9.158 -23.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -1.177 -8.422 -24.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -1.914 -8.176 -23.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -1.251 -6.861 -24.293 1.00 0.00 H new ATOM 542 N VAL A 33 3.685 -4.008 -19.319 1.00 0.00 N ATOM 543 CA VAL A 33 4.031 -2.678 -18.848 1.00 0.00 C ATOM 544 C VAL A 33 3.824 -1.671 -19.979 1.00 0.00 C ATOM 545 O VAL A 33 4.198 -1.930 -21.123 1.00 0.00 O ATOM 546 CB VAL A 33 5.459 -2.675 -18.297 1.00 0.00 C ATOM 547 CG1 VAL A 33 5.491 -3.172 -16.851 1.00 0.00 C ATOM 548 CG2 VAL A 33 6.391 -3.503 -19.183 1.00 0.00 C ATOM 0 H VAL A 33 4.357 -4.420 -19.967 1.00 0.00 H new ATOM 0 HA VAL A 33 3.379 -2.381 -18.027 1.00 0.00 H new ATOM 0 HB VAL A 33 5.818 -1.646 -18.304 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.518 -3.160 -16.485 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.876 -2.522 -16.229 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.102 -4.189 -16.807 1.00 0.00 H new ATOM 0 HG21 VAL A 33 7.399 -3.484 -18.769 1.00 0.00 H new ATOM 0 HG22 VAL A 33 6.035 -4.532 -19.224 1.00 0.00 H new ATOM 0 HG23 VAL A 33 6.404 -3.084 -20.189 1.00 0.00 H new ATOM 558 N TYR A 34 3.228 -0.543 -19.623 1.00 0.00 N ATOM 559 CA TYR A 34 2.966 0.505 -20.595 1.00 0.00 C ATOM 560 C TYR A 34 3.576 1.835 -20.146 1.00 0.00 C ATOM 561 O TYR A 34 3.654 2.114 -18.950 1.00 0.00 O ATOM 562 CB TYR A 34 1.443 0.651 -20.658 1.00 0.00 C ATOM 563 CG TYR A 34 0.704 -0.660 -20.931 1.00 0.00 C ATOM 564 CD1 TYR A 34 0.738 -1.679 -20.001 1.00 0.00 C ATOM 565 CD2 TYR A 34 0.002 -0.823 -22.108 1.00 0.00 C ATOM 566 CE1 TYR A 34 0.042 -2.912 -20.258 1.00 0.00 C ATOM 567 CE2 TYR A 34 -0.694 -2.057 -22.365 1.00 0.00 C ATOM 568 CZ TYR A 34 -0.640 -3.041 -21.428 1.00 0.00 C ATOM 569 OH TYR A 34 -1.299 -4.206 -21.671 1.00 0.00 O ATOM 0 H TYR A 34 2.919 -0.331 -18.674 1.00 0.00 H new ATOM 0 HA TYR A 34 3.402 0.250 -21.561 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.089 1.066 -19.715 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.189 1.369 -21.438 1.00 0.00 H new ATOM 0 HD1 TYR A 34 1.287 -1.551 -19.080 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -0.025 -0.026 -22.836 1.00 0.00 H new ATOM 0 HE1 TYR A 34 0.061 -3.717 -19.538 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -1.247 -2.198 -23.282 1.00 0.00 H new ATOM 0 HH TYR A 34 -2.088 -4.262 -21.093 1.00 0.00 H new ATOM 579 N ASP A 35 3.993 2.620 -21.128 1.00 0.00 N ATOM 580 CA ASP A 35 4.594 3.914 -20.848 1.00 0.00 C ATOM 581 C ASP A 35 3.487 4.945 -20.617 1.00 0.00 C ATOM 582 O ASP A 35 3.075 5.638 -21.547 1.00 0.00 O ATOM 583 CB ASP A 35 5.447 4.390 -22.025 1.00 0.00 C ATOM 584 CG ASP A 35 6.060 5.782 -21.857 1.00 0.00 C ATOM 585 OD1 ASP A 35 5.306 6.688 -21.442 1.00 0.00 O ATOM 586 OD2 ASP A 35 7.269 5.908 -22.145 1.00 0.00 O ATOM 0 H ASP A 35 3.927 2.386 -22.119 1.00 0.00 H new ATOM 0 HA ASP A 35 5.224 3.811 -19.965 1.00 0.00 H new ATOM 0 HB2 ASP A 35 6.251 3.672 -22.185 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.832 4.386 -22.925 1.00 0.00 H new ATOM 591 N LEU A 36 3.036 5.016 -19.373 1.00 0.00 N ATOM 592 CA LEU A 36 1.988 5.951 -19.008 1.00 0.00 C ATOM 593 C LEU A 36 2.398 7.363 -19.433 1.00 0.00 C ATOM 594 O LEU A 36 1.545 8.210 -19.688 1.00 0.00 O ATOM 595 CB LEU A 36 1.653 5.828 -17.521 1.00 0.00 C ATOM 596 CG LEU A 36 0.714 4.684 -17.136 1.00 0.00 C ATOM 597 CD1 LEU A 36 0.006 4.976 -15.811 1.00 0.00 C ATOM 598 CD2 LEU A 36 -0.278 4.386 -18.263 1.00 0.00 C ATOM 0 H LEU A 36 3.379 4.439 -18.605 1.00 0.00 H new ATOM 0 HA LEU A 36 1.066 5.714 -19.538 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.585 5.708 -16.968 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.205 6.765 -17.191 1.00 0.00 H new ATOM 0 HG LEU A 36 1.314 3.786 -16.988 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.655 4.146 -15.561 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.748 5.099 -15.022 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.579 5.891 -15.905 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.934 3.569 -17.964 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.875 5.275 -18.466 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.268 4.102 -19.163 1.00 0.00 H new ATOM 610 N THR A 37 3.705 7.571 -19.493 1.00 0.00 N ATOM 611 CA THR A 37 4.239 8.865 -19.883 1.00 0.00 C ATOM 612 C THR A 37 3.778 9.231 -21.295 1.00 0.00 C ATOM 613 O THR A 37 3.941 10.370 -21.729 1.00 0.00 O ATOM 614 CB THR A 37 5.761 8.811 -19.734 1.00 0.00 C ATOM 615 OG1 THR A 37 6.015 9.497 -18.512 1.00 0.00 O ATOM 616 CG2 THR A 37 6.482 9.653 -20.790 1.00 0.00 C ATOM 0 H THR A 37 4.410 6.866 -19.278 1.00 0.00 H new ATOM 0 HA THR A 37 3.862 9.659 -19.238 1.00 0.00 H new ATOM 0 HB THR A 37 6.096 7.776 -19.803 1.00 0.00 H new ATOM 0 HG1 THR A 37 5.290 9.315 -17.878 1.00 0.00 H new ATOM 0 HG21 THR A 37 7.559 9.580 -20.640 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.229 9.285 -21.784 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.172 10.694 -20.699 1.00 0.00 H new ATOM 624 N LYS A 38 3.211 8.242 -21.971 1.00 0.00 N ATOM 625 CA LYS A 38 2.725 8.446 -23.325 1.00 0.00 C ATOM 626 C LYS A 38 1.209 8.648 -23.293 1.00 0.00 C ATOM 627 O LYS A 38 0.618 9.101 -24.272 1.00 0.00 O ATOM 628 CB LYS A 38 3.173 7.298 -24.233 1.00 0.00 C ATOM 629 CG LYS A 38 4.428 7.681 -25.019 1.00 0.00 C ATOM 630 CD LYS A 38 4.078 8.559 -26.221 1.00 0.00 C ATOM 631 CE LYS A 38 5.065 8.339 -27.370 1.00 0.00 C ATOM 632 NZ LYS A 38 4.372 7.775 -28.549 1.00 0.00 N ATOM 0 H LYS A 38 3.078 7.299 -21.607 1.00 0.00 H new ATOM 0 HA LYS A 38 3.159 9.350 -23.754 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.372 6.411 -23.632 1.00 0.00 H new ATOM 0 HB3 LYS A 38 2.370 7.041 -24.924 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.122 8.212 -24.367 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.937 6.779 -25.359 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.066 8.333 -26.558 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.088 9.608 -25.924 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.538 9.284 -27.637 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.859 7.664 -27.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.057 7.632 -29.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.941 6.863 -28.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.630 8.433 -28.863 1.00 0.00 H new ATOM 646 N PHE A 39 0.622 8.301 -22.157 1.00 0.00 N ATOM 647 CA PHE A 39 -0.815 8.438 -21.986 1.00 0.00 C ATOM 648 C PHE A 39 -1.157 9.738 -21.254 1.00 0.00 C ATOM 649 O PHE A 39 -2.301 10.190 -21.285 1.00 0.00 O ATOM 650 CB PHE A 39 -1.280 7.253 -21.138 1.00 0.00 C ATOM 651 CG PHE A 39 -0.918 5.888 -21.726 1.00 0.00 C ATOM 652 CD1 PHE A 39 0.375 5.465 -21.719 1.00 0.00 C ATOM 653 CD2 PHE A 39 -1.889 5.097 -22.257 1.00 0.00 C ATOM 654 CE1 PHE A 39 0.709 4.197 -22.265 1.00 0.00 C ATOM 655 CE2 PHE A 39 -1.553 3.830 -22.804 1.00 0.00 C ATOM 656 CZ PHE A 39 -0.261 3.407 -22.796 1.00 0.00 C ATOM 0 H PHE A 39 1.115 7.926 -21.347 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.305 8.459 -22.959 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -0.842 7.337 -20.144 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -2.362 7.309 -21.015 1.00 0.00 H new ATOM 0 HD1 PHE A 39 1.147 6.093 -21.299 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -2.916 5.432 -22.263 1.00 0.00 H new ATOM 0 HE1 PHE A 39 1.735 3.860 -22.258 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -2.324 3.203 -23.226 1.00 0.00 H new ATOM 0 HZ PHE A 39 -0.006 2.443 -23.212 1.00 0.00 H new ATOM 666 N LEU A 40 -0.144 10.303 -20.612 1.00 0.00 N ATOM 667 CA LEU A 40 -0.323 11.542 -19.874 1.00 0.00 C ATOM 668 C LEU A 40 -1.031 12.564 -20.766 1.00 0.00 C ATOM 669 O LEU A 40 -1.591 13.542 -20.273 1.00 0.00 O ATOM 670 CB LEU A 40 1.015 12.033 -19.318 1.00 0.00 C ATOM 671 CG LEU A 40 1.071 12.255 -17.805 1.00 0.00 C ATOM 672 CD1 LEU A 40 0.936 10.931 -17.051 1.00 0.00 C ATOM 673 CD2 LEU A 40 2.339 13.012 -17.409 1.00 0.00 C ATOM 0 H LEU A 40 0.803 9.925 -20.588 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.962 11.379 -19.006 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.785 11.311 -19.588 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.270 12.970 -19.813 1.00 0.00 H new ATOM 0 HG LEU A 40 0.222 12.876 -17.520 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.979 11.117 -15.978 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.018 10.466 -17.301 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.750 10.265 -17.336 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.354 13.157 -16.329 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.215 12.437 -17.710 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.353 13.982 -17.905 1.00 0.00 H new ATOM 685 N GLU A 41 -0.983 12.303 -22.064 1.00 0.00 N ATOM 686 CA GLU A 41 -1.612 13.188 -23.030 1.00 0.00 C ATOM 687 C GLU A 41 -3.016 12.685 -23.376 1.00 0.00 C ATOM 688 O GLU A 41 -3.911 13.479 -23.658 1.00 0.00 O ATOM 689 CB GLU A 41 -0.753 13.326 -24.288 1.00 0.00 C ATOM 690 CG GLU A 41 -0.338 11.953 -24.822 1.00 0.00 C ATOM 691 CD GLU A 41 -0.232 11.969 -26.348 1.00 0.00 C ATOM 692 OE1 GLU A 41 0.819 12.431 -26.840 1.00 0.00 O ATOM 693 OE2 GLU A 41 -1.206 11.515 -26.989 1.00 0.00 O ATOM 0 H GLU A 41 -0.518 11.491 -22.470 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.702 14.177 -22.582 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.309 13.866 -25.055 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.135 13.916 -24.063 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.620 11.665 -24.390 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -1.066 11.203 -24.512 1.00 0.00 H new ATOM 700 N GLU A 42 -3.162 11.369 -23.342 1.00 0.00 N ATOM 701 CA GLU A 42 -4.440 10.750 -23.649 1.00 0.00 C ATOM 702 C GLU A 42 -5.107 10.244 -22.368 1.00 0.00 C ATOM 703 O GLU A 42 -4.777 9.166 -21.876 1.00 0.00 O ATOM 704 CB GLU A 42 -4.272 9.617 -24.662 1.00 0.00 C ATOM 705 CG GLU A 42 -4.872 10.000 -26.017 1.00 0.00 C ATOM 706 CD GLU A 42 -6.180 9.245 -26.269 1.00 0.00 C ATOM 707 OE1 GLU A 42 -6.156 8.004 -26.126 1.00 0.00 O ATOM 708 OE2 GLU A 42 -7.173 9.927 -26.602 1.00 0.00 O ATOM 0 H GLU A 42 -2.416 10.714 -23.107 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.086 11.503 -24.099 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.214 9.385 -24.781 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.756 8.715 -24.288 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.056 11.074 -26.047 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.160 9.776 -26.811 1.00 0.00 H new ATOM 715 N HIS A 43 -6.030 11.048 -21.862 1.00 0.00 N ATOM 716 CA HIS A 43 -6.745 10.696 -20.647 1.00 0.00 C ATOM 717 C HIS A 43 -7.628 11.868 -20.213 1.00 0.00 C ATOM 718 O HIS A 43 -7.128 12.959 -19.940 1.00 0.00 O ATOM 719 CB HIS A 43 -5.772 10.249 -19.554 1.00 0.00 C ATOM 720 CG HIS A 43 -6.187 8.984 -18.843 1.00 0.00 C ATOM 721 ND1 HIS A 43 -5.344 7.895 -18.696 1.00 0.00 N ATOM 722 CD2 HIS A 43 -7.362 8.644 -18.239 1.00 0.00 C ATOM 723 CE1 HIS A 43 -5.994 6.950 -18.034 1.00 0.00 C ATOM 724 NE2 HIS A 43 -7.244 7.416 -17.751 1.00 0.00 N ATOM 0 H HIS A 43 -6.299 11.943 -22.271 1.00 0.00 H new ATOM 0 HA HIS A 43 -7.399 9.846 -20.839 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -4.788 10.098 -19.997 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -5.672 11.050 -18.821 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -8.240 9.269 -18.170 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -5.603 5.980 -17.765 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -7.969 6.905 -17.247 1.00 0.00 H new ATOM 733 N PRO A 44 -8.959 11.596 -20.162 1.00 0.00 N ATOM 734 CA PRO A 44 -9.917 12.616 -19.764 1.00 0.00 C ATOM 735 C PRO A 44 -9.871 12.852 -18.253 1.00 0.00 C ATOM 736 O PRO A 44 -10.601 13.692 -17.730 1.00 0.00 O ATOM 737 CB PRO A 44 -11.263 12.099 -20.244 1.00 0.00 C ATOM 738 CG PRO A 44 -11.079 10.608 -20.475 1.00 0.00 C ATOM 739 CD PRO A 44 -9.587 10.317 -20.477 1.00 0.00 C ATOM 0 HA PRO A 44 -9.700 13.591 -20.201 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -12.040 12.286 -19.503 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -11.570 12.601 -21.161 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -11.578 10.036 -19.693 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -11.527 10.310 -21.423 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -9.331 9.558 -19.738 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -9.258 9.943 -21.446 1.00 0.00 H new ATOM 747 N GLY A 45 -9.003 12.098 -17.594 1.00 0.00 N ATOM 748 CA GLY A 45 -8.853 12.215 -16.155 1.00 0.00 C ATOM 749 C GLY A 45 -7.734 13.196 -15.798 1.00 0.00 C ATOM 750 O GLY A 45 -7.983 14.225 -15.171 1.00 0.00 O ATOM 0 H GLY A 45 -8.397 11.404 -18.031 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -9.791 12.552 -15.714 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -8.634 11.236 -15.728 1.00 0.00 H new ATOM 754 N GLY A 46 -6.526 12.843 -16.214 1.00 0.00 N ATOM 755 CA GLY A 46 -5.369 13.681 -15.946 1.00 0.00 C ATOM 756 C GLY A 46 -4.117 12.831 -15.723 1.00 0.00 C ATOM 757 O GLY A 46 -4.216 11.650 -15.395 1.00 0.00 O ATOM 0 H GLY A 46 -6.324 11.989 -16.734 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -5.207 14.362 -16.782 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -5.557 14.296 -15.066 1.00 0.00 H new ATOM 761 N GLU A 47 -2.969 13.464 -15.910 1.00 0.00 N ATOM 762 CA GLU A 47 -1.700 12.780 -15.734 1.00 0.00 C ATOM 763 C GLU A 47 -1.784 11.800 -14.562 1.00 0.00 C ATOM 764 O GLU A 47 -1.513 10.611 -14.722 1.00 0.00 O ATOM 765 CB GLU A 47 -0.561 13.781 -15.530 1.00 0.00 C ATOM 766 CG GLU A 47 -0.608 14.887 -16.587 1.00 0.00 C ATOM 767 CD GLU A 47 -1.105 16.203 -15.984 1.00 0.00 C ATOM 768 OE1 GLU A 47 -1.961 16.123 -15.076 1.00 0.00 O ATOM 769 OE2 GLU A 47 -0.618 17.259 -16.443 1.00 0.00 O ATOM 0 H GLU A 47 -2.891 14.444 -16.182 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.485 12.215 -16.641 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.632 14.220 -14.535 1.00 0.00 H new ATOM 0 HB3 GLU A 47 0.397 13.263 -15.582 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.385 15.030 -17.013 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.264 14.586 -17.404 1.00 0.00 H new ATOM 776 N GLU A 48 -2.159 12.336 -13.410 1.00 0.00 N ATOM 777 CA GLU A 48 -2.282 11.523 -12.211 1.00 0.00 C ATOM 778 C GLU A 48 -2.985 10.203 -12.535 1.00 0.00 C ATOM 779 O GLU A 48 -2.505 9.133 -12.168 1.00 0.00 O ATOM 780 CB GLU A 48 -3.020 12.282 -11.107 1.00 0.00 C ATOM 781 CG GLU A 48 -2.158 12.390 -9.847 1.00 0.00 C ATOM 782 CD GLU A 48 -2.140 13.825 -9.317 1.00 0.00 C ATOM 783 OE1 GLU A 48 -3.212 14.272 -8.851 1.00 0.00 O ATOM 784 OE2 GLU A 48 -1.057 14.443 -9.388 1.00 0.00 O ATOM 0 H GLU A 48 -2.382 13.323 -13.281 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.281 11.298 -11.844 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.283 13.280 -11.459 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.954 11.771 -10.871 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.544 11.720 -9.079 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.141 12.068 -10.069 1.00 0.00 H new ATOM 791 N VAL A 49 -4.115 10.324 -13.217 1.00 0.00 N ATOM 792 CA VAL A 49 -4.891 9.156 -13.594 1.00 0.00 C ATOM 793 C VAL A 49 -3.940 8.017 -13.969 1.00 0.00 C ATOM 794 O VAL A 49 -4.256 6.846 -13.764 1.00 0.00 O ATOM 795 CB VAL A 49 -5.867 9.514 -14.716 1.00 0.00 C ATOM 796 CG1 VAL A 49 -5.178 9.456 -16.081 1.00 0.00 C ATOM 797 CG2 VAL A 49 -7.098 8.604 -14.685 1.00 0.00 C ATOM 0 H VAL A 49 -4.511 11.214 -13.518 1.00 0.00 H new ATOM 0 HA VAL A 49 -5.495 8.812 -12.755 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.203 10.538 -14.553 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.894 9.715 -16.861 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.349 10.163 -16.100 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -4.800 8.449 -16.255 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -7.775 8.880 -15.493 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.787 7.567 -14.811 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -7.609 8.716 -13.729 1.00 0.00 H new ATOM 807 N LEU A 50 -2.795 8.402 -14.513 1.00 0.00 N ATOM 808 CA LEU A 50 -1.795 7.428 -14.919 1.00 0.00 C ATOM 809 C LEU A 50 -0.600 7.501 -13.966 1.00 0.00 C ATOM 810 O LEU A 50 -0.068 6.473 -13.552 1.00 0.00 O ATOM 811 CB LEU A 50 -1.423 7.623 -16.390 1.00 0.00 C ATOM 812 CG LEU A 50 -2.590 7.687 -17.375 1.00 0.00 C ATOM 813 CD1 LEU A 50 -2.455 8.889 -18.311 1.00 0.00 C ATOM 814 CD2 LEU A 50 -2.728 6.373 -18.147 1.00 0.00 C ATOM 0 H LEU A 50 -2.537 9.374 -14.682 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.197 6.417 -14.848 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.848 8.544 -16.479 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.766 6.806 -16.689 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.509 7.825 -16.805 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.299 8.910 -19.001 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.444 9.808 -17.724 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.526 8.808 -18.876 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.565 6.445 -18.841 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.811 6.180 -18.704 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.906 5.557 -17.447 1.00 0.00 H new ATOM 826 N ARG A 51 -0.214 8.728 -13.648 1.00 0.00 N ATOM 827 CA ARG A 51 0.907 8.950 -12.751 1.00 0.00 C ATOM 828 C ARG A 51 0.597 8.390 -11.362 1.00 0.00 C ATOM 829 O ARG A 51 1.393 7.639 -10.799 1.00 0.00 O ATOM 830 CB ARG A 51 1.230 10.442 -12.632 1.00 0.00 C ATOM 831 CG ARG A 51 2.736 10.667 -12.485 1.00 0.00 C ATOM 832 CD ARG A 51 3.051 11.458 -11.214 1.00 0.00 C ATOM 833 NE ARG A 51 4.433 11.985 -11.275 1.00 0.00 N ATOM 834 CZ ARG A 51 5.031 12.645 -10.273 1.00 0.00 C ATOM 835 NH1 ARG A 51 4.372 12.861 -9.127 1.00 0.00 N ATOM 836 NH2 ARG A 51 6.288 13.086 -10.417 1.00 0.00 N ATOM 0 H ARG A 51 -0.658 9.578 -13.995 1.00 0.00 H new ATOM 0 HA ARG A 51 1.772 8.434 -13.168 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.864 10.968 -13.514 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.710 10.863 -11.771 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.250 9.706 -12.456 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.114 11.204 -13.355 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.344 12.280 -11.103 1.00 0.00 H new ATOM 0 HD3 ARG A 51 2.935 10.818 -10.339 1.00 0.00 H new ATOM 0 HE ARG A 51 4.964 11.837 -12.133 1.00 0.00 H new ATOM 0 HH11 ARG A 51 3.416 12.523 -9.017 1.00 0.00 H new ATOM 0 HH12 ARG A 51 4.826 13.363 -8.364 1.00 0.00 H new ATOM 0 HH21 ARG A 51 6.790 12.920 -11.289 1.00 0.00 H new ATOM 0 HH22 ARG A 51 6.743 13.588 -9.655 1.00 0.00 H new ATOM 850 N GLU A 52 -0.562 8.776 -10.849 1.00 0.00 N ATOM 851 CA GLU A 52 -0.987 8.321 -9.536 1.00 0.00 C ATOM 852 C GLU A 52 -0.975 6.793 -9.474 1.00 0.00 C ATOM 853 O GLU A 52 -0.940 6.212 -8.390 1.00 0.00 O ATOM 854 CB GLU A 52 -2.371 8.873 -9.187 1.00 0.00 C ATOM 855 CG GLU A 52 -2.332 9.664 -7.878 1.00 0.00 C ATOM 856 CD GLU A 52 -2.276 8.723 -6.671 1.00 0.00 C ATOM 857 OE1 GLU A 52 -1.200 8.117 -6.474 1.00 0.00 O ATOM 858 OE2 GLU A 52 -3.309 8.632 -5.974 1.00 0.00 O ATOM 0 H GLU A 52 -1.220 9.398 -11.319 1.00 0.00 H new ATOM 0 HA GLU A 52 -0.283 8.700 -8.796 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -2.724 9.515 -9.994 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -3.082 8.052 -9.099 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.463 10.322 -7.872 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -3.214 10.301 -7.807 1.00 0.00 H new ATOM 865 N GLN A 53 -1.006 6.185 -10.651 1.00 0.00 N ATOM 866 CA GLN A 53 -0.998 4.735 -10.744 1.00 0.00 C ATOM 867 C GLN A 53 0.393 4.234 -11.143 1.00 0.00 C ATOM 868 O GLN A 53 0.784 3.125 -10.784 1.00 0.00 O ATOM 869 CB GLN A 53 -2.060 4.243 -11.730 1.00 0.00 C ATOM 870 CG GLN A 53 -1.745 4.707 -13.153 1.00 0.00 C ATOM 871 CD GLN A 53 -2.618 3.976 -14.174 1.00 0.00 C ATOM 872 OE1 GLN A 53 -2.252 2.949 -14.722 1.00 0.00 O ATOM 873 NE2 GLN A 53 -3.791 4.561 -14.399 1.00 0.00 N ATOM 0 H GLN A 53 -1.037 6.670 -11.548 1.00 0.00 H new ATOM 0 HA GLN A 53 -1.242 4.327 -9.763 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -2.111 3.155 -11.702 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.040 4.616 -11.431 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -1.908 5.782 -13.233 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -0.693 4.527 -13.374 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -4.035 5.420 -13.906 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -4.446 4.151 -15.064 1.00 0.00 H new ATOM 882 N ALA A 54 1.101 5.079 -11.879 1.00 0.00 N ATOM 883 CA ALA A 54 2.439 4.737 -12.330 1.00 0.00 C ATOM 884 C ALA A 54 3.285 4.313 -11.127 1.00 0.00 C ATOM 885 O ALA A 54 3.311 5.002 -10.109 1.00 0.00 O ATOM 886 CB ALA A 54 3.044 5.925 -13.080 1.00 0.00 C ATOM 0 H ALA A 54 0.773 5.999 -12.174 1.00 0.00 H new ATOM 0 HA ALA A 54 2.408 3.896 -13.023 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.048 5.669 -13.418 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.421 6.167 -13.941 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.094 6.787 -12.415 1.00 0.00 H new ATOM 892 N GLY A 55 3.957 3.181 -11.286 1.00 0.00 N ATOM 893 CA GLY A 55 4.802 2.659 -10.226 1.00 0.00 C ATOM 894 C GLY A 55 4.326 1.276 -9.777 1.00 0.00 C ATOM 895 O GLY A 55 4.729 0.789 -8.723 1.00 0.00 O ATOM 0 H GLY A 55 3.933 2.612 -12.132 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.833 2.597 -10.575 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.793 3.344 -9.378 1.00 0.00 H new ATOM 899 N GLY A 56 3.472 0.684 -10.600 1.00 0.00 N ATOM 900 CA GLY A 56 2.935 -0.633 -10.300 1.00 0.00 C ATOM 901 C GLY A 56 1.779 -0.981 -11.240 1.00 0.00 C ATOM 902 O GLY A 56 1.516 -0.259 -12.201 1.00 0.00 O ATOM 0 H GLY A 56 3.139 1.092 -11.474 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.722 -1.381 -10.394 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.589 -0.662 -9.267 1.00 0.00 H new ATOM 906 N ASP A 57 1.121 -2.088 -10.931 1.00 0.00 N ATOM 907 CA ASP A 57 -0.001 -2.540 -11.736 1.00 0.00 C ATOM 908 C ASP A 57 -1.203 -1.627 -11.487 1.00 0.00 C ATOM 909 O ASP A 57 -1.529 -1.323 -10.341 1.00 0.00 O ATOM 910 CB ASP A 57 -0.407 -3.968 -11.364 1.00 0.00 C ATOM 911 CG ASP A 57 -1.912 -4.194 -11.212 1.00 0.00 C ATOM 912 OD1 ASP A 57 -2.637 -3.848 -12.169 1.00 0.00 O ATOM 913 OD2 ASP A 57 -2.305 -4.707 -10.141 1.00 0.00 O ATOM 0 H ASP A 57 1.343 -2.685 -10.135 1.00 0.00 H new ATOM 0 HA ASP A 57 0.303 -2.513 -12.782 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -0.028 -4.648 -12.127 1.00 0.00 H new ATOM 0 HB3 ASP A 57 0.082 -4.236 -10.427 1.00 0.00 H new ATOM 918 N ALA A 58 -1.830 -1.215 -12.581 1.00 0.00 N ATOM 919 CA ALA A 58 -2.988 -0.343 -12.495 1.00 0.00 C ATOM 920 C ALA A 58 -4.216 -1.081 -13.033 1.00 0.00 C ATOM 921 O ALA A 58 -5.349 -0.677 -12.774 1.00 0.00 O ATOM 922 CB ALA A 58 -2.707 0.954 -13.256 1.00 0.00 C ATOM 0 H ALA A 58 -1.557 -1.470 -13.530 1.00 0.00 H new ATOM 0 HA ALA A 58 -3.192 -0.075 -11.458 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -3.576 1.609 -13.192 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.843 1.453 -12.817 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -2.502 0.725 -14.302 1.00 0.00 H new ATOM 928 N THR A 59 -3.950 -2.147 -13.771 1.00 0.00 N ATOM 929 CA THR A 59 -5.020 -2.944 -14.347 1.00 0.00 C ATOM 930 C THR A 59 -6.118 -3.192 -13.312 1.00 0.00 C ATOM 931 O THR A 59 -7.303 -3.146 -13.637 1.00 0.00 O ATOM 932 CB THR A 59 -4.405 -4.231 -14.902 1.00 0.00 C ATOM 933 OG1 THR A 59 -5.152 -4.491 -16.087 1.00 0.00 O ATOM 934 CG2 THR A 59 -4.685 -5.444 -14.011 1.00 0.00 C ATOM 0 H THR A 59 -3.009 -2.478 -13.984 1.00 0.00 H new ATOM 0 HA THR A 59 -5.506 -2.418 -15.169 1.00 0.00 H new ATOM 0 HB THR A 59 -3.328 -4.101 -15.012 1.00 0.00 H new ATOM 0 HG1 THR A 59 -5.460 -5.421 -16.082 1.00 0.00 H new ATOM 0 HG21 THR A 59 -4.227 -6.331 -14.449 1.00 0.00 H new ATOM 0 HG22 THR A 59 -4.266 -5.272 -13.020 1.00 0.00 H new ATOM 0 HG23 THR A 59 -5.761 -5.594 -13.929 1.00 0.00 H new ATOM 942 N GLU A 60 -5.684 -3.448 -12.087 1.00 0.00 N ATOM 943 CA GLU A 60 -6.616 -3.702 -11.002 1.00 0.00 C ATOM 944 C GLU A 60 -7.641 -2.570 -10.905 1.00 0.00 C ATOM 945 O GLU A 60 -8.823 -2.818 -10.670 1.00 0.00 O ATOM 946 CB GLU A 60 -5.875 -3.885 -9.675 1.00 0.00 C ATOM 947 CG GLU A 60 -5.761 -5.368 -9.311 1.00 0.00 C ATOM 948 CD GLU A 60 -6.563 -5.686 -8.048 1.00 0.00 C ATOM 949 OE1 GLU A 60 -6.148 -5.199 -6.975 1.00 0.00 O ATOM 950 OE2 GLU A 60 -7.573 -6.409 -8.184 1.00 0.00 O ATOM 0 H GLU A 60 -4.700 -3.485 -11.822 1.00 0.00 H new ATOM 0 HA GLU A 60 -7.148 -4.629 -11.216 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.880 -3.447 -9.747 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.402 -3.352 -8.884 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -6.123 -5.978 -10.139 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.714 -5.629 -9.156 1.00 0.00 H new ATOM 957 N ASN A 61 -7.150 -1.354 -11.091 1.00 0.00 N ATOM 958 CA ASN A 61 -8.010 -0.183 -11.028 1.00 0.00 C ATOM 959 C ASN A 61 -8.618 0.072 -12.408 1.00 0.00 C ATOM 960 O ASN A 61 -9.828 0.262 -12.532 1.00 0.00 O ATOM 961 CB ASN A 61 -7.217 1.060 -10.624 1.00 0.00 C ATOM 962 CG ASN A 61 -7.868 1.763 -9.429 1.00 0.00 C ATOM 963 OD1 ASN A 61 -8.999 2.217 -9.485 1.00 0.00 O ATOM 964 ND2 ASN A 61 -7.093 1.824 -8.350 1.00 0.00 N ATOM 0 H ASN A 61 -6.169 -1.153 -11.285 1.00 0.00 H new ATOM 0 HA ASN A 61 -8.786 -0.373 -10.286 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -6.195 0.777 -10.371 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -7.158 1.748 -11.467 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -7.436 2.272 -7.500 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -6.155 1.423 -8.372 1.00 0.00 H new ATOM 971 N PHE A 62 -7.752 0.068 -13.411 1.00 0.00 N ATOM 972 CA PHE A 62 -8.191 0.297 -14.778 1.00 0.00 C ATOM 973 C PHE A 62 -9.338 -0.643 -15.151 1.00 0.00 C ATOM 974 O PHE A 62 -10.063 -0.393 -16.112 1.00 0.00 O ATOM 975 CB PHE A 62 -6.994 0.006 -15.685 1.00 0.00 C ATOM 976 CG PHE A 62 -7.343 -0.802 -16.936 1.00 0.00 C ATOM 977 CD1 PHE A 62 -7.540 -2.145 -16.845 1.00 0.00 C ATOM 978 CD2 PHE A 62 -7.454 -0.178 -18.139 1.00 0.00 C ATOM 979 CE1 PHE A 62 -7.864 -2.894 -18.006 1.00 0.00 C ATOM 980 CE2 PHE A 62 -7.779 -0.929 -19.301 1.00 0.00 C ATOM 981 CZ PHE A 62 -7.976 -2.271 -19.209 1.00 0.00 C ATOM 0 H PHE A 62 -6.750 -0.090 -13.305 1.00 0.00 H new ATOM 0 HA PHE A 62 -8.547 1.321 -14.888 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -6.544 0.951 -15.989 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -6.241 -0.536 -15.113 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -7.450 -2.641 -15.890 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -7.295 0.888 -18.211 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -8.022 -3.960 -17.934 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -7.869 -0.434 -20.257 1.00 0.00 H new ATOM 0 HZ PHE A 62 -8.222 -2.842 -20.092 1.00 0.00 H new ATOM 991 N GLU A 63 -9.469 -1.706 -14.370 1.00 0.00 N ATOM 992 CA GLU A 63 -10.515 -2.686 -14.606 1.00 0.00 C ATOM 993 C GLU A 63 -11.799 -2.275 -13.883 1.00 0.00 C ATOM 994 O GLU A 63 -12.899 -2.551 -14.358 1.00 0.00 O ATOM 995 CB GLU A 63 -10.066 -4.083 -14.177 1.00 0.00 C ATOM 996 CG GLU A 63 -9.489 -4.862 -15.360 1.00 0.00 C ATOM 997 CD GLU A 63 -10.593 -5.594 -16.127 1.00 0.00 C ATOM 998 OE1 GLU A 63 -11.524 -4.896 -16.584 1.00 0.00 O ATOM 999 OE2 GLU A 63 -10.481 -6.833 -16.237 1.00 0.00 O ATOM 0 H GLU A 63 -8.867 -1.910 -13.572 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.719 -2.720 -15.676 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -9.316 -4.002 -13.390 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -10.912 -4.627 -13.757 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.968 -4.179 -16.030 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.752 -5.581 -15.002 1.00 0.00 H new ATOM 1006 N ASP A 64 -11.616 -1.623 -12.744 1.00 0.00 N ATOM 1007 CA ASP A 64 -12.745 -1.172 -11.950 1.00 0.00 C ATOM 1008 C ASP A 64 -13.444 -0.019 -12.674 1.00 0.00 C ATOM 1009 O ASP A 64 -14.640 0.204 -12.485 1.00 0.00 O ATOM 1010 CB ASP A 64 -12.288 -0.663 -10.581 1.00 0.00 C ATOM 1011 CG ASP A 64 -13.241 0.328 -9.909 1.00 0.00 C ATOM 1012 OD1 ASP A 64 -14.152 -0.152 -9.202 1.00 0.00 O ATOM 1013 OD2 ASP A 64 -13.035 1.544 -10.117 1.00 0.00 O ATOM 0 H ASP A 64 -10.702 -1.396 -12.352 1.00 0.00 H new ATOM 0 HA ASP A 64 -13.420 -2.017 -11.813 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -12.151 -1.518 -9.919 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -11.314 -0.188 -10.693 1.00 0.00 H new ATOM 1018 N VAL A 65 -12.668 0.685 -13.487 1.00 0.00 N ATOM 1019 CA VAL A 65 -13.198 1.808 -14.240 1.00 0.00 C ATOM 1020 C VAL A 65 -13.743 1.308 -15.579 1.00 0.00 C ATOM 1021 O VAL A 65 -14.130 2.106 -16.433 1.00 0.00 O ATOM 1022 CB VAL A 65 -12.124 2.886 -14.395 1.00 0.00 C ATOM 1023 CG1 VAL A 65 -10.796 2.427 -13.791 1.00 0.00 C ATOM 1024 CG2 VAL A 65 -11.953 3.282 -15.862 1.00 0.00 C ATOM 0 H VAL A 65 -11.677 0.499 -13.640 1.00 0.00 H new ATOM 0 HA VAL A 65 -14.028 2.270 -13.705 1.00 0.00 H new ATOM 0 HB VAL A 65 -12.453 3.769 -13.847 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -10.050 3.212 -13.915 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -10.932 2.219 -12.730 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -10.459 1.523 -14.298 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -11.184 4.050 -15.944 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -11.657 2.408 -16.443 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -12.896 3.671 -16.246 1.00 0.00 H new ATOM 1034 N GLY A 66 -13.754 -0.009 -15.723 1.00 0.00 N ATOM 1035 CA GLY A 66 -14.243 -0.624 -16.945 1.00 0.00 C ATOM 1036 C GLY A 66 -13.858 0.206 -18.170 1.00 0.00 C ATOM 1037 O GLY A 66 -14.714 0.814 -18.809 1.00 0.00 O ATOM 0 H GLY A 66 -13.432 -0.667 -15.013 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -13.833 -1.629 -17.039 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -15.327 -0.725 -16.896 1.00 0.00 H new ATOM 1041 N HIS A 67 -12.564 0.205 -18.462 1.00 0.00 N ATOM 1042 CA HIS A 67 -12.054 0.950 -19.600 1.00 0.00 C ATOM 1043 C HIS A 67 -12.686 0.418 -20.888 1.00 0.00 C ATOM 1044 O HIS A 67 -13.492 -0.510 -20.851 1.00 0.00 O ATOM 1045 CB HIS A 67 -10.525 0.915 -19.631 1.00 0.00 C ATOM 1046 CG HIS A 67 -9.869 1.929 -18.725 1.00 0.00 C ATOM 1047 ND1 HIS A 67 -9.805 1.776 -17.350 1.00 0.00 N ATOM 1048 CD2 HIS A 67 -9.247 3.109 -19.010 1.00 0.00 C ATOM 1049 CE1 HIS A 67 -9.172 2.824 -16.842 1.00 0.00 C ATOM 1050 NE2 HIS A 67 -8.829 3.649 -17.872 1.00 0.00 N ATOM 0 H HIS A 67 -11.855 -0.300 -17.930 1.00 0.00 H new ATOM 0 HA HIS A 67 -12.334 1.999 -19.507 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -10.189 -0.082 -19.347 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -10.189 1.085 -20.654 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -10.181 0.991 -16.819 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -9.117 3.532 -19.995 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -8.964 2.994 -15.796 1.00 0.00 H new ATOM 1059 N SER A 68 -12.296 1.029 -21.997 1.00 0.00 N ATOM 1060 CA SER A 68 -12.813 0.627 -23.295 1.00 0.00 C ATOM 1061 C SER A 68 -11.751 -0.165 -24.060 1.00 0.00 C ATOM 1062 O SER A 68 -10.556 -0.011 -23.809 1.00 0.00 O ATOM 1063 CB SER A 68 -13.258 1.843 -24.109 1.00 0.00 C ATOM 1064 OG SER A 68 -12.181 2.421 -24.839 1.00 0.00 O ATOM 0 H SER A 68 -11.628 1.799 -22.024 1.00 0.00 H new ATOM 0 HA SER A 68 -13.684 -0.009 -23.135 1.00 0.00 H new ATOM 0 HB2 SER A 68 -14.047 1.547 -24.801 1.00 0.00 H new ATOM 0 HB3 SER A 68 -13.685 2.590 -23.440 1.00 0.00 H new ATOM 0 HG SER A 68 -12.507 3.193 -25.347 1.00 0.00 H new ATOM 1070 N THR A 69 -12.224 -0.995 -24.978 1.00 0.00 N ATOM 1071 CA THR A 69 -11.330 -1.811 -25.781 1.00 0.00 C ATOM 1072 C THR A 69 -10.350 -0.926 -26.553 1.00 0.00 C ATOM 1073 O THR A 69 -9.271 -1.375 -26.936 1.00 0.00 O ATOM 1074 CB THR A 69 -12.185 -2.700 -26.684 1.00 0.00 C ATOM 1075 OG1 THR A 69 -12.506 -3.822 -25.865 1.00 0.00 O ATOM 1076 CG2 THR A 69 -11.386 -3.302 -27.841 1.00 0.00 C ATOM 0 H THR A 69 -13.215 -1.120 -25.183 1.00 0.00 H new ATOM 0 HA THR A 69 -10.714 -2.456 -25.155 1.00 0.00 H new ATOM 0 HB THR A 69 -13.017 -2.118 -27.081 1.00 0.00 H new ATOM 0 HG1 THR A 69 -13.062 -4.450 -26.373 1.00 0.00 H new ATOM 0 HG21 THR A 69 -12.041 -3.924 -28.451 1.00 0.00 H new ATOM 0 HG22 THR A 69 -10.973 -2.501 -28.454 1.00 0.00 H new ATOM 0 HG23 THR A 69 -10.573 -3.911 -27.444 1.00 0.00 H new ATOM 1084 N ASP A 70 -10.759 0.318 -26.759 1.00 0.00 N ATOM 1085 CA ASP A 70 -9.930 1.271 -27.476 1.00 0.00 C ATOM 1086 C ASP A 70 -8.769 1.708 -26.581 1.00 0.00 C ATOM 1087 O ASP A 70 -7.622 1.749 -27.023 1.00 0.00 O ATOM 1088 CB ASP A 70 -10.728 2.519 -27.857 1.00 0.00 C ATOM 1089 CG ASP A 70 -9.982 3.519 -28.740 1.00 0.00 C ATOM 1090 OD1 ASP A 70 -9.463 3.077 -29.787 1.00 0.00 O ATOM 1091 OD2 ASP A 70 -9.946 4.706 -28.348 1.00 0.00 O ATOM 0 H ASP A 70 -11.655 0.688 -26.441 1.00 0.00 H new ATOM 0 HA ASP A 70 -9.566 0.785 -28.381 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -11.636 2.208 -28.374 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -11.039 3.026 -26.943 1.00 0.00 H new ATOM 1096 N ALA A 71 -9.108 2.021 -25.340 1.00 0.00 N ATOM 1097 CA ALA A 71 -8.107 2.454 -24.378 1.00 0.00 C ATOM 1098 C ALA A 71 -7.028 1.377 -24.251 1.00 0.00 C ATOM 1099 O ALA A 71 -5.837 1.680 -24.275 1.00 0.00 O ATOM 1100 CB ALA A 71 -8.783 2.761 -23.040 1.00 0.00 C ATOM 0 H ALA A 71 -10.061 1.984 -24.977 1.00 0.00 H new ATOM 0 HA ALA A 71 -7.622 3.369 -24.716 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -8.033 3.085 -22.319 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -9.520 3.552 -23.178 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.279 1.864 -22.669 1.00 0.00 H new ATOM 1106 N ARG A 72 -7.486 0.140 -24.119 1.00 0.00 N ATOM 1107 CA ARG A 72 -6.574 -0.986 -23.989 1.00 0.00 C ATOM 1108 C ARG A 72 -5.720 -1.125 -25.250 1.00 0.00 C ATOM 1109 O ARG A 72 -4.512 -1.345 -25.166 1.00 0.00 O ATOM 1110 CB ARG A 72 -7.339 -2.290 -23.752 1.00 0.00 C ATOM 1111 CG ARG A 72 -8.339 -2.137 -22.604 1.00 0.00 C ATOM 1112 CD ARG A 72 -9.021 -3.472 -22.292 1.00 0.00 C ATOM 1113 NE ARG A 72 -8.001 -4.514 -22.041 1.00 0.00 N ATOM 1114 CZ ARG A 72 -8.260 -5.829 -22.020 1.00 0.00 C ATOM 1115 NH1 ARG A 72 -9.508 -6.269 -22.234 1.00 0.00 N ATOM 1116 NH2 ARG A 72 -7.273 -6.702 -21.784 1.00 0.00 N ATOM 0 H ARG A 72 -8.475 -0.108 -24.099 1.00 0.00 H new ATOM 0 HA ARG A 72 -5.931 -0.795 -23.130 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -7.866 -2.578 -24.662 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.637 -3.092 -23.523 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -7.825 -1.770 -21.715 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -9.091 -1.393 -22.868 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -9.666 -3.365 -21.420 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -9.658 -3.768 -23.125 1.00 0.00 H new ATOM 0 HE ARG A 72 -7.041 -4.213 -21.874 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -10.260 -5.603 -22.413 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -9.706 -7.270 -22.218 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -6.324 -6.367 -21.620 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -7.470 -7.703 -21.768 1.00 0.00 H new ATOM 1130 N GLU A 73 -6.379 -0.991 -26.391 1.00 0.00 N ATOM 1131 CA GLU A 73 -5.694 -1.100 -27.669 1.00 0.00 C ATOM 1132 C GLU A 73 -4.625 -0.014 -27.792 1.00 0.00 C ATOM 1133 O GLU A 73 -3.498 -0.290 -28.199 1.00 0.00 O ATOM 1134 CB GLU A 73 -6.688 -1.026 -28.831 1.00 0.00 C ATOM 1135 CG GLU A 73 -7.247 -2.410 -29.163 1.00 0.00 C ATOM 1136 CD GLU A 73 -8.426 -2.307 -30.133 1.00 0.00 C ATOM 1137 OE1 GLU A 73 -9.336 -1.503 -29.837 1.00 0.00 O ATOM 1138 OE2 GLU A 73 -8.390 -3.034 -31.149 1.00 0.00 O ATOM 0 H GLU A 73 -7.380 -0.808 -26.458 1.00 0.00 H new ATOM 0 HA GLU A 73 -5.203 -2.072 -27.715 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -7.505 -0.352 -28.573 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -6.196 -0.608 -29.709 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -6.463 -3.027 -29.602 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -7.567 -2.906 -28.247 1.00 0.00 H new ATOM 1145 N LEU A 74 -5.016 1.200 -27.433 1.00 0.00 N ATOM 1146 CA LEU A 74 -4.104 2.330 -27.497 1.00 0.00 C ATOM 1147 C LEU A 74 -2.866 2.030 -26.648 1.00 0.00 C ATOM 1148 O LEU A 74 -1.749 2.373 -27.032 1.00 0.00 O ATOM 1149 CB LEU A 74 -4.821 3.622 -27.102 1.00 0.00 C ATOM 1150 CG LEU A 74 -4.413 4.232 -25.761 1.00 0.00 C ATOM 1151 CD1 LEU A 74 -3.416 5.376 -25.959 1.00 0.00 C ATOM 1152 CD2 LEU A 74 -5.642 4.676 -24.963 1.00 0.00 C ATOM 0 H LEU A 74 -5.952 1.426 -27.097 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.761 2.484 -28.520 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.649 4.363 -27.883 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -5.893 3.427 -27.079 1.00 0.00 H new ATOM 0 HG LEU A 74 -3.909 3.463 -25.176 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -3.142 5.792 -24.989 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.523 4.998 -26.457 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.872 6.154 -26.572 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.323 5.106 -24.014 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -6.195 5.423 -25.532 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -6.284 3.815 -24.774 1.00 0.00 H new ATOM 1164 N SER A 75 -3.108 1.394 -25.513 1.00 0.00 N ATOM 1165 CA SER A 75 -2.026 1.045 -24.607 1.00 0.00 C ATOM 1166 C SER A 75 -1.108 0.011 -25.262 1.00 0.00 C ATOM 1167 O SER A 75 0.095 -0.009 -25.004 1.00 0.00 O ATOM 1168 CB SER A 75 -2.570 0.506 -23.282 1.00 0.00 C ATOM 1169 OG SER A 75 -3.989 0.607 -23.207 1.00 0.00 O ATOM 0 H SER A 75 -4.036 1.111 -25.199 1.00 0.00 H new ATOM 0 HA SER A 75 -1.453 1.948 -24.394 1.00 0.00 H new ATOM 0 HB2 SER A 75 -2.274 -0.537 -23.166 1.00 0.00 H new ATOM 0 HB3 SER A 75 -2.123 1.058 -22.455 1.00 0.00 H new ATOM 0 HG SER A 75 -4.262 1.528 -23.399 1.00 0.00 H new ATOM 1175 N LYS A 76 -1.710 -0.823 -26.097 1.00 0.00 N ATOM 1176 CA LYS A 76 -0.960 -1.856 -26.792 1.00 0.00 C ATOM 1177 C LYS A 76 0.076 -1.201 -27.706 1.00 0.00 C ATOM 1178 O LYS A 76 1.120 -1.788 -27.987 1.00 0.00 O ATOM 1179 CB LYS A 76 -1.911 -2.808 -27.521 1.00 0.00 C ATOM 1180 CG LYS A 76 -2.012 -2.450 -29.006 1.00 0.00 C ATOM 1181 CD LYS A 76 -1.005 -3.253 -29.833 1.00 0.00 C ATOM 1182 CE LYS A 76 -1.148 -2.942 -31.325 1.00 0.00 C ATOM 1183 NZ LYS A 76 -1.846 -4.047 -32.020 1.00 0.00 N ATOM 0 H LYS A 76 -2.708 -0.805 -26.308 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.411 -2.473 -26.081 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.558 -3.834 -27.413 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.899 -2.761 -27.064 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -3.022 -2.648 -29.364 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -1.830 -1.384 -29.140 1.00 0.00 H new ATOM 0 HD2 LYS A 76 0.008 -3.020 -29.505 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -1.158 -4.319 -29.664 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -1.703 -2.013 -31.457 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -0.163 -2.791 -31.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -1.935 -3.820 -33.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -1.301 -4.926 -31.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -2.793 -4.172 -31.609 1.00 0.00 H new ATOM 1197 N THR A 77 -0.248 0.005 -28.147 1.00 0.00 N ATOM 1198 CA THR A 77 0.642 0.747 -29.023 1.00 0.00 C ATOM 1199 C THR A 77 1.609 1.603 -28.202 1.00 0.00 C ATOM 1200 O THR A 77 2.593 2.115 -28.733 1.00 0.00 O ATOM 1201 CB THR A 77 -0.219 1.562 -29.990 1.00 0.00 C ATOM 1202 OG1 THR A 77 0.709 2.038 -30.963 1.00 0.00 O ATOM 1203 CG2 THR A 77 -0.774 2.836 -29.351 1.00 0.00 C ATOM 0 H THR A 77 -1.116 0.487 -27.914 1.00 0.00 H new ATOM 0 HA THR A 77 1.270 0.076 -29.609 1.00 0.00 H new ATOM 0 HB THR A 77 -1.045 0.947 -30.347 1.00 0.00 H new ATOM 0 HG1 THR A 77 1.605 2.080 -30.568 1.00 0.00 H new ATOM 0 HG21 THR A 77 -1.377 3.376 -30.081 1.00 0.00 H new ATOM 0 HG22 THR A 77 -1.392 2.573 -28.493 1.00 0.00 H new ATOM 0 HG23 THR A 77 0.051 3.468 -29.024 1.00 0.00 H new ATOM 1211 N PHE A 78 1.294 1.730 -26.922 1.00 0.00 N ATOM 1212 CA PHE A 78 2.124 2.515 -26.022 1.00 0.00 C ATOM 1213 C PHE A 78 2.911 1.610 -25.072 1.00 0.00 C ATOM 1214 O PHE A 78 3.674 2.094 -24.238 1.00 0.00 O ATOM 1215 CB PHE A 78 1.182 3.398 -25.202 1.00 0.00 C ATOM 1216 CG PHE A 78 0.802 4.711 -25.891 1.00 0.00 C ATOM 1217 CD1 PHE A 78 1.107 4.903 -27.203 1.00 0.00 C ATOM 1218 CD2 PHE A 78 0.158 5.685 -25.193 1.00 0.00 C ATOM 1219 CE1 PHE A 78 0.754 6.119 -27.844 1.00 0.00 C ATOM 1220 CE2 PHE A 78 -0.195 6.902 -25.834 1.00 0.00 C ATOM 1221 CZ PHE A 78 0.110 7.094 -27.145 1.00 0.00 C ATOM 0 H PHE A 78 0.477 1.303 -26.486 1.00 0.00 H new ATOM 0 HA PHE A 78 2.840 3.105 -26.595 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.273 2.838 -24.984 1.00 0.00 H new ATOM 0 HB3 PHE A 78 1.653 3.625 -24.246 1.00 0.00 H new ATOM 0 HD1 PHE A 78 1.618 4.130 -27.757 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -0.085 5.533 -24.152 1.00 0.00 H new ATOM 0 HE1 PHE A 78 0.996 6.271 -28.886 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -0.706 7.675 -25.280 1.00 0.00 H new ATOM 0 HZ PHE A 78 -0.159 8.020 -27.632 1.00 0.00 H new ATOM 1231 N ILE A 79 2.699 0.312 -25.231 1.00 0.00 N ATOM 1232 CA ILE A 79 3.378 -0.665 -24.397 1.00 0.00 C ATOM 1233 C ILE A 79 4.890 -0.518 -24.577 1.00 0.00 C ATOM 1234 O ILE A 79 5.368 -0.299 -25.689 1.00 0.00 O ATOM 1235 CB ILE A 79 2.858 -2.074 -24.692 1.00 0.00 C ATOM 1236 CG1 ILE A 79 1.664 -2.415 -23.798 1.00 0.00 C ATOM 1237 CG2 ILE A 79 3.980 -3.108 -24.571 1.00 0.00 C ATOM 1238 CD1 ILE A 79 1.395 -3.922 -23.793 1.00 0.00 C ATOM 0 H ILE A 79 2.066 -0.086 -25.925 1.00 0.00 H new ATOM 0 HA ILE A 79 3.162 -0.484 -23.344 1.00 0.00 H new ATOM 0 HB ILE A 79 2.506 -2.101 -25.723 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.857 -2.073 -22.781 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.779 -1.885 -24.150 1.00 0.00 H new ATOM 0 HG21 ILE A 79 3.584 -4.101 -24.785 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.771 -2.871 -25.282 1.00 0.00 H new ATOM 0 HG23 ILE A 79 4.384 -3.089 -23.559 1.00 0.00 H new ATOM 0 HD11 ILE A 79 0.542 -4.137 -23.150 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.178 -4.256 -24.808 1.00 0.00 H new ATOM 0 HD13 ILE A 79 2.273 -4.447 -23.418 1.00 0.00 H new ATOM 1250 N ILE A 80 5.600 -0.644 -23.466 1.00 0.00 N ATOM 1251 CA ILE A 80 7.049 -0.527 -23.486 1.00 0.00 C ATOM 1252 C ILE A 80 7.671 -1.910 -23.281 1.00 0.00 C ATOM 1253 O ILE A 80 8.754 -2.190 -23.791 1.00 0.00 O ATOM 1254 CB ILE A 80 7.517 0.516 -22.469 1.00 0.00 C ATOM 1255 CG1 ILE A 80 6.403 0.851 -21.476 1.00 0.00 C ATOM 1256 CG2 ILE A 80 8.054 1.764 -23.172 1.00 0.00 C ATOM 1257 CD1 ILE A 80 6.284 -0.230 -20.399 1.00 0.00 C ATOM 0 H ILE A 80 5.199 -0.826 -22.546 1.00 0.00 H new ATOM 0 HA ILE A 80 7.389 -0.165 -24.457 1.00 0.00 H new ATOM 0 HB ILE A 80 8.341 0.090 -21.896 1.00 0.00 H new ATOM 0 HG12 ILE A 80 6.606 1.814 -21.008 1.00 0.00 H new ATOM 0 HG13 ILE A 80 5.455 0.947 -22.006 1.00 0.00 H new ATOM 0 HG21 ILE A 80 8.380 2.490 -22.427 1.00 0.00 H new ATOM 0 HG22 ILE A 80 8.898 1.490 -23.805 1.00 0.00 H new ATOM 0 HG23 ILE A 80 7.267 2.203 -23.786 1.00 0.00 H new ATOM 0 HD11 ILE A 80 5.485 0.033 -19.706 1.00 0.00 H new ATOM 0 HD12 ILE A 80 6.057 -1.187 -20.868 1.00 0.00 H new ATOM 0 HD13 ILE A 80 7.225 -0.307 -19.855 1.00 0.00 H new ATOM 1269 N GLY A 81 6.958 -2.738 -22.530 1.00 0.00 N ATOM 1270 CA GLY A 81 7.426 -4.085 -22.250 1.00 0.00 C ATOM 1271 C GLY A 81 6.314 -4.934 -21.631 1.00 0.00 C ATOM 1272 O GLY A 81 5.134 -4.697 -21.884 1.00 0.00 O ATOM 0 H GLY A 81 6.060 -2.502 -22.107 1.00 0.00 H new ATOM 0 HA2 GLY A 81 7.775 -4.552 -23.171 1.00 0.00 H new ATOM 0 HA3 GLY A 81 8.278 -4.044 -21.571 1.00 0.00 H new ATOM 1276 N GLU A 82 6.730 -5.906 -20.832 1.00 0.00 N ATOM 1277 CA GLU A 82 5.785 -6.792 -20.176 1.00 0.00 C ATOM 1278 C GLU A 82 6.345 -7.266 -18.833 1.00 0.00 C ATOM 1279 O GLU A 82 7.561 -7.333 -18.653 1.00 0.00 O ATOM 1280 CB GLU A 82 5.431 -7.980 -21.073 1.00 0.00 C ATOM 1281 CG GLU A 82 5.374 -7.558 -22.542 1.00 0.00 C ATOM 1282 CD GLU A 82 4.900 -8.714 -23.425 1.00 0.00 C ATOM 1283 OE1 GLU A 82 5.600 -9.750 -23.430 1.00 0.00 O ATOM 1284 OE2 GLU A 82 3.847 -8.537 -24.078 1.00 0.00 O ATOM 0 H GLU A 82 7.710 -6.099 -20.624 1.00 0.00 H new ATOM 0 HA GLU A 82 4.867 -6.236 -19.988 1.00 0.00 H new ATOM 0 HB2 GLU A 82 6.171 -8.770 -20.946 1.00 0.00 H new ATOM 0 HB3 GLU A 82 4.469 -8.394 -20.772 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.700 -6.709 -22.655 1.00 0.00 H new ATOM 0 HG3 GLU A 82 6.360 -7.227 -22.868 1.00 0.00 H new ATOM 1291 N LEU A 83 5.433 -7.583 -17.927 1.00 0.00 N ATOM 1292 CA LEU A 83 5.821 -8.050 -16.605 1.00 0.00 C ATOM 1293 C LEU A 83 6.672 -9.313 -16.746 1.00 0.00 C ATOM 1294 O LEU A 83 6.212 -10.321 -17.279 1.00 0.00 O ATOM 1295 CB LEU A 83 4.587 -8.234 -15.719 1.00 0.00 C ATOM 1296 CG LEU A 83 4.851 -8.313 -14.213 1.00 0.00 C ATOM 1297 CD1 LEU A 83 6.350 -8.401 -13.922 1.00 0.00 C ATOM 1298 CD2 LEU A 83 4.191 -7.144 -13.479 1.00 0.00 C ATOM 0 H LEU A 83 4.426 -7.526 -18.081 1.00 0.00 H new ATOM 0 HA LEU A 83 6.437 -7.305 -16.102 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.903 -7.406 -15.905 1.00 0.00 H new ATOM 0 HB3 LEU A 83 4.075 -9.146 -16.027 1.00 0.00 H new ATOM 0 HG LEU A 83 4.397 -9.229 -13.834 1.00 0.00 H new ATOM 0 HD11 LEU A 83 6.509 -8.456 -12.845 1.00 0.00 H new ATOM 0 HD12 LEU A 83 6.761 -9.293 -14.395 1.00 0.00 H new ATOM 0 HD13 LEU A 83 6.850 -7.517 -14.318 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.394 -7.224 -12.411 1.00 0.00 H new ATOM 0 HD22 LEU A 83 4.594 -6.204 -13.856 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.114 -7.170 -13.647 1.00 0.00 H new ATOM 1310 N HIS A 84 7.900 -9.217 -16.257 1.00 0.00 N ATOM 1311 CA HIS A 84 8.820 -10.340 -16.320 1.00 0.00 C ATOM 1312 C HIS A 84 8.396 -11.408 -15.311 1.00 0.00 C ATOM 1313 O HIS A 84 7.379 -11.261 -14.635 1.00 0.00 O ATOM 1314 CB HIS A 84 10.263 -9.873 -16.119 1.00 0.00 C ATOM 1315 CG HIS A 84 11.194 -10.253 -17.245 1.00 0.00 C ATOM 1316 ND1 HIS A 84 12.561 -10.043 -17.191 1.00 0.00 N ATOM 1317 CD2 HIS A 84 10.942 -10.832 -18.454 1.00 0.00 C ATOM 1318 CE1 HIS A 84 13.097 -10.478 -18.321 1.00 0.00 C ATOM 1319 NE2 HIS A 84 12.092 -10.966 -19.104 1.00 0.00 N ATOM 0 H HIS A 84 8.279 -8.379 -15.816 1.00 0.00 H new ATOM 0 HA HIS A 84 8.781 -10.791 -17.312 1.00 0.00 H new ATOM 0 HB2 HIS A 84 10.271 -8.789 -16.005 1.00 0.00 H new ATOM 0 HB3 HIS A 84 10.644 -10.294 -15.189 1.00 0.00 H new ATOM 0 HD2 HIS A 84 9.971 -11.131 -18.821 1.00 0.00 H new ATOM 0 HE1 HIS A 84 14.146 -10.451 -18.578 1.00 0.00 H new ATOM 0 HE2 HIS A 84 12.205 -11.367 -20.035 1.00 0.00 H new ATOM 1328 N PRO A 85 9.220 -12.490 -15.238 1.00 0.00 N ATOM 1329 CA PRO A 85 8.940 -13.582 -14.322 1.00 0.00 C ATOM 1330 C PRO A 85 9.274 -13.188 -12.882 1.00 0.00 C ATOM 1331 O PRO A 85 9.346 -14.044 -12.001 1.00 0.00 O ATOM 1332 CB PRO A 85 9.780 -14.745 -14.828 1.00 0.00 C ATOM 1333 CG PRO A 85 10.845 -14.131 -15.723 1.00 0.00 C ATOM 1334 CD PRO A 85 10.433 -12.699 -16.023 1.00 0.00 C ATOM 0 HA PRO A 85 7.884 -13.850 -14.298 1.00 0.00 H new ATOM 0 HB2 PRO A 85 10.233 -15.290 -13.999 1.00 0.00 H new ATOM 0 HB3 PRO A 85 9.168 -15.457 -15.381 1.00 0.00 H new ATOM 0 HG2 PRO A 85 11.817 -14.153 -15.230 1.00 0.00 H new ATOM 0 HG3 PRO A 85 10.943 -14.702 -16.647 1.00 0.00 H new ATOM 0 HD2 PRO A 85 11.215 -11.994 -15.739 1.00 0.00 H new ATOM 0 HD3 PRO A 85 10.246 -12.556 -17.087 1.00 0.00 H new ATOM 1342 N ASP A 86 9.466 -11.891 -12.685 1.00 0.00 N ATOM 1343 CA ASP A 86 9.789 -11.375 -11.366 1.00 0.00 C ATOM 1344 C ASP A 86 8.500 -11.213 -10.558 1.00 0.00 C ATOM 1345 O ASP A 86 8.519 -11.295 -9.329 1.00 0.00 O ATOM 1346 CB ASP A 86 10.461 -10.003 -11.463 1.00 0.00 C ATOM 1347 CG ASP A 86 10.148 -9.047 -10.309 1.00 0.00 C ATOM 1348 OD1 ASP A 86 10.671 -9.301 -9.204 1.00 0.00 O ATOM 1349 OD2 ASP A 86 9.392 -8.083 -10.561 1.00 0.00 O ATOM 0 H ASP A 86 9.404 -11.183 -13.417 1.00 0.00 H new ATOM 0 HA ASP A 86 10.469 -12.078 -10.885 1.00 0.00 H new ATOM 0 HB2 ASP A 86 11.540 -10.146 -11.514 1.00 0.00 H new ATOM 0 HB3 ASP A 86 10.158 -9.532 -12.398 1.00 0.00 H new ATOM 1354 N ASP A 87 7.411 -10.988 -11.277 1.00 0.00 N ATOM 1355 CA ASP A 87 6.116 -10.814 -10.640 1.00 0.00 C ATOM 1356 C ASP A 87 5.013 -10.982 -11.688 1.00 0.00 C ATOM 1357 O ASP A 87 4.262 -10.046 -11.958 1.00 0.00 O ATOM 1358 CB ASP A 87 5.984 -9.416 -10.033 1.00 0.00 C ATOM 1359 CG ASP A 87 6.595 -9.257 -8.639 1.00 0.00 C ATOM 1360 OD1 ASP A 87 7.833 -9.105 -8.577 1.00 0.00 O ATOM 1361 OD2 ASP A 87 5.808 -9.291 -7.669 1.00 0.00 O ATOM 0 H ASP A 87 7.398 -10.922 -12.295 1.00 0.00 H new ATOM 0 HA ASP A 87 6.025 -11.559 -9.850 1.00 0.00 H new ATOM 0 HB2 ASP A 87 6.456 -8.699 -10.704 1.00 0.00 H new ATOM 0 HB3 ASP A 87 4.927 -9.157 -9.982 1.00 0.00 H new ATOM 1366 N ARG A 88 4.948 -12.182 -12.246 1.00 0.00 N ATOM 1367 CA ARG A 88 3.949 -12.484 -13.256 1.00 0.00 C ATOM 1368 C ARG A 88 2.584 -12.710 -12.603 1.00 0.00 C ATOM 1369 O ARG A 88 1.855 -11.756 -12.337 1.00 0.00 O ATOM 1370 CB ARG A 88 4.335 -13.729 -14.058 1.00 0.00 C ATOM 1371 CG ARG A 88 5.512 -13.437 -14.991 1.00 0.00 C ATOM 1372 CD ARG A 88 5.084 -12.534 -16.149 1.00 0.00 C ATOM 1373 NE ARG A 88 3.881 -13.091 -16.808 1.00 0.00 N ATOM 1374 CZ ARG A 88 3.893 -14.166 -17.606 1.00 0.00 C ATOM 1375 NH1 ARG A 88 5.043 -14.807 -17.851 1.00 0.00 N ATOM 1376 NH2 ARG A 88 2.753 -14.602 -18.161 1.00 0.00 N ATOM 0 H ARG A 88 5.571 -12.956 -12.017 1.00 0.00 H new ATOM 0 HA ARG A 88 3.895 -11.631 -13.933 1.00 0.00 H new ATOM 0 HB2 ARG A 88 4.599 -14.538 -13.376 1.00 0.00 H new ATOM 0 HB3 ARG A 88 3.480 -14.070 -14.641 1.00 0.00 H new ATOM 0 HG2 ARG A 88 6.315 -12.959 -14.430 1.00 0.00 H new ATOM 0 HG3 ARG A 88 5.910 -14.373 -15.383 1.00 0.00 H new ATOM 0 HD2 ARG A 88 4.874 -11.530 -15.780 1.00 0.00 H new ATOM 0 HD3 ARG A 88 5.896 -12.445 -16.871 1.00 0.00 H new ATOM 0 HE ARG A 88 2.988 -12.627 -16.644 1.00 0.00 H new ATOM 0 HH11 ARG A 88 5.911 -14.476 -17.429 1.00 0.00 H new ATOM 0 HH12 ARG A 88 5.051 -15.626 -18.459 1.00 0.00 H new ATOM 0 HH21 ARG A 88 1.876 -14.115 -17.975 1.00 0.00 H new ATOM 0 HH22 ARG A 88 2.762 -15.421 -18.769 1.00 0.00 H new ATOM 1390 N SER A 89 2.281 -13.977 -12.363 1.00 0.00 N ATOM 1391 CA SER A 89 1.017 -14.340 -11.745 1.00 0.00 C ATOM 1392 C SER A 89 0.795 -13.509 -10.481 1.00 0.00 C ATOM 1393 O SER A 89 -0.295 -13.519 -9.910 1.00 0.00 O ATOM 1394 CB SER A 89 0.976 -15.833 -11.412 1.00 0.00 C ATOM 1395 OG SER A 89 -0.241 -16.203 -10.769 1.00 0.00 O ATOM 0 H SER A 89 2.889 -14.765 -12.585 1.00 0.00 H new ATOM 0 HA SER A 89 0.217 -14.131 -12.455 1.00 0.00 H new ATOM 0 HB2 SER A 89 1.093 -16.412 -12.328 1.00 0.00 H new ATOM 0 HB3 SER A 89 1.818 -16.084 -10.767 1.00 0.00 H new ATOM 0 HG SER A 89 -0.603 -15.431 -10.285 1.00 0.00 H new ATOM 1401 N LYS A 90 1.845 -12.806 -10.081 1.00 0.00 N ATOM 1402 CA LYS A 90 1.777 -11.970 -8.894 1.00 0.00 C ATOM 1403 C LYS A 90 0.781 -10.832 -9.133 1.00 0.00 C ATOM 1404 O LYS A 90 0.036 -10.456 -8.230 1.00 0.00 O ATOM 1405 CB LYS A 90 3.174 -11.489 -8.498 1.00 0.00 C ATOM 1406 CG LYS A 90 3.649 -12.180 -7.218 1.00 0.00 C ATOM 1407 CD LYS A 90 5.175 -12.266 -7.175 1.00 0.00 C ATOM 1408 CE LYS A 90 5.698 -12.042 -5.753 1.00 0.00 C ATOM 1409 NZ LYS A 90 7.039 -12.648 -5.594 1.00 0.00 N ATOM 0 H LYS A 90 2.747 -12.798 -10.557 1.00 0.00 H new ATOM 0 HA LYS A 90 1.408 -12.544 -8.044 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.876 -11.692 -9.307 1.00 0.00 H new ATOM 0 HB3 LYS A 90 3.162 -10.409 -8.350 1.00 0.00 H new ATOM 0 HG2 LYS A 90 3.288 -11.631 -6.349 1.00 0.00 H new ATOM 0 HG3 LYS A 90 3.223 -13.182 -7.162 1.00 0.00 H new ATOM 0 HD2 LYS A 90 5.498 -13.243 -7.535 1.00 0.00 H new ATOM 0 HD3 LYS A 90 5.604 -11.521 -7.845 1.00 0.00 H new ATOM 0 HE2 LYS A 90 5.747 -10.974 -5.541 1.00 0.00 H new ATOM 0 HE3 LYS A 90 5.007 -12.478 -5.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 7.380 -12.488 -4.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 6.982 -13.670 -5.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 7.699 -12.213 -6.269 1.00 0.00 H new ATOM 1423 N ILE A 91 0.799 -10.320 -10.354 1.00 0.00 N ATOM 1424 CA ILE A 91 -0.094 -9.235 -10.722 1.00 0.00 C ATOM 1425 C ILE A 91 -0.695 -9.519 -12.100 1.00 0.00 C ATOM 1426 O ILE A 91 -1.458 -8.712 -12.627 1.00 0.00 O ATOM 1427 CB ILE A 91 0.632 -7.891 -10.634 1.00 0.00 C ATOM 1428 CG1 ILE A 91 1.124 -7.440 -12.012 1.00 0.00 C ATOM 1429 CG2 ILE A 91 1.768 -7.946 -9.610 1.00 0.00 C ATOM 1430 CD1 ILE A 91 1.861 -6.102 -11.921 1.00 0.00 C ATOM 0 H ILE A 91 1.417 -10.636 -11.101 1.00 0.00 H new ATOM 0 HA ILE A 91 -0.924 -9.170 -10.019 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.080 -7.142 -10.286 1.00 0.00 H new ATOM 0 HG12 ILE A 91 1.787 -8.197 -12.431 1.00 0.00 H new ATOM 0 HG13 ILE A 91 0.277 -7.347 -12.692 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.267 -6.978 -9.568 1.00 0.00 H new ATOM 0 HG22 ILE A 91 1.361 -8.188 -8.628 1.00 0.00 H new ATOM 0 HG23 ILE A 91 2.486 -8.712 -9.904 1.00 0.00 H new ATOM 0 HD11 ILE A 91 2.200 -5.805 -12.914 1.00 0.00 H new ATOM 0 HD12 ILE A 91 1.188 -5.342 -11.525 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.721 -6.205 -11.260 1.00 0.00 H new ATOM 1442 N THR A 92 -0.327 -10.669 -12.644 1.00 0.00 N ATOM 1443 CA THR A 92 -0.820 -11.072 -13.951 1.00 0.00 C ATOM 1444 C THR A 92 -2.340 -10.911 -14.019 1.00 0.00 C ATOM 1445 O THR A 92 -2.862 -10.305 -14.954 1.00 0.00 O ATOM 1446 CB THR A 92 -0.348 -12.502 -14.216 1.00 0.00 C ATOM 1447 OG1 THR A 92 -0.251 -12.578 -15.635 1.00 0.00 O ATOM 1448 CG2 THR A 92 -1.408 -13.544 -13.856 1.00 0.00 C ATOM 0 H THR A 92 0.307 -11.336 -12.204 1.00 0.00 H new ATOM 0 HA THR A 92 -0.420 -10.433 -14.738 1.00 0.00 H new ATOM 0 HB THR A 92 0.560 -12.697 -13.645 1.00 0.00 H new ATOM 0 HG1 THR A 92 0.051 -13.473 -15.895 1.00 0.00 H new ATOM 0 HG21 THR A 92 -1.022 -14.542 -14.063 1.00 0.00 H new ATOM 0 HG22 THR A 92 -1.654 -13.462 -12.797 1.00 0.00 H new ATOM 0 HG23 THR A 92 -2.305 -13.371 -14.451 1.00 0.00 H new ATOM 1456 N LYS A 93 -3.007 -11.462 -13.017 1.00 0.00 N ATOM 1457 CA LYS A 93 -4.457 -11.388 -12.952 1.00 0.00 C ATOM 1458 C LYS A 93 -4.884 -9.922 -12.866 1.00 0.00 C ATOM 1459 O LYS A 93 -4.288 -9.140 -12.126 1.00 0.00 O ATOM 1460 CB LYS A 93 -4.987 -12.252 -11.805 1.00 0.00 C ATOM 1461 CG LYS A 93 -5.918 -13.348 -12.329 1.00 0.00 C ATOM 1462 CD LYS A 93 -6.913 -13.783 -11.251 1.00 0.00 C ATOM 1463 CE LYS A 93 -7.233 -15.274 -11.371 1.00 0.00 C ATOM 1464 NZ LYS A 93 -6.748 -16.007 -10.180 1.00 0.00 N ATOM 0 H LYS A 93 -2.570 -11.962 -12.243 1.00 0.00 H new ATOM 0 HA LYS A 93 -4.901 -11.797 -13.859 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -4.152 -12.704 -11.270 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -5.522 -11.626 -11.091 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -6.459 -12.984 -13.203 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -5.329 -14.206 -12.653 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -6.500 -13.574 -10.264 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -7.831 -13.202 -11.342 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -8.309 -15.413 -11.478 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -6.768 -15.680 -12.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -6.974 -17.017 -10.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -5.718 -15.889 -10.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -7.211 -15.630 -9.328 1.00 0.00 H new ATOM 1478 N PRO A 94 -5.941 -9.584 -13.653 1.00 0.00 N ATOM 1479 CA PRO A 94 -6.456 -8.226 -13.673 1.00 0.00 C ATOM 1480 C PRO A 94 -7.260 -7.925 -12.406 1.00 0.00 C ATOM 1481 O PRO A 94 -7.171 -6.828 -11.856 1.00 0.00 O ATOM 1482 CB PRO A 94 -7.290 -8.140 -14.940 1.00 0.00 C ATOM 1483 CG PRO A 94 -7.594 -9.574 -15.339 1.00 0.00 C ATOM 1484 CD PRO A 94 -6.670 -10.483 -14.542 1.00 0.00 C ATOM 0 HA PRO A 94 -5.665 -7.476 -13.681 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -8.209 -7.580 -14.765 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -6.747 -7.622 -15.730 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -8.637 -9.815 -15.134 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -7.439 -9.714 -16.409 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -7.235 -11.225 -13.978 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -5.991 -11.029 -15.197 1.00 0.00 H new ATOM 1492 N SER A 95 -8.025 -8.919 -11.979 1.00 0.00 N ATOM 1493 CA SER A 95 -8.843 -8.775 -10.788 1.00 0.00 C ATOM 1494 C SER A 95 -9.598 -10.076 -10.510 1.00 0.00 C ATOM 1495 O SER A 95 -9.339 -11.096 -11.148 1.00 0.00 O ATOM 1496 CB SER A 95 -9.826 -7.611 -10.932 1.00 0.00 C ATOM 1497 OG SER A 95 -11.004 -7.991 -11.640 1.00 0.00 O ATOM 0 H SER A 95 -8.095 -9.828 -12.437 1.00 0.00 H new ATOM 0 HA SER A 95 -8.185 -8.558 -9.946 1.00 0.00 H new ATOM 0 HB2 SER A 95 -10.100 -7.244 -9.943 1.00 0.00 H new ATOM 0 HB3 SER A 95 -9.339 -6.788 -11.454 1.00 0.00 H new ATOM 0 HG SER A 95 -11.607 -7.221 -11.709 1.00 0.00 H new ATOM 1503 N GLU A 96 -10.516 -9.999 -9.558 1.00 0.00 N ATOM 1504 CA GLU A 96 -11.310 -11.158 -9.189 1.00 0.00 C ATOM 1505 C GLU A 96 -12.339 -10.779 -8.121 1.00 0.00 C ATOM 1506 O GLU A 96 -13.499 -11.183 -8.200 1.00 0.00 O ATOM 1507 CB GLU A 96 -10.417 -12.304 -8.708 1.00 0.00 C ATOM 1508 CG GLU A 96 -9.469 -11.834 -7.604 1.00 0.00 C ATOM 1509 CD GLU A 96 -10.016 -12.191 -6.221 1.00 0.00 C ATOM 1510 OE1 GLU A 96 -11.252 -12.360 -6.126 1.00 0.00 O ATOM 1511 OE2 GLU A 96 -9.188 -12.286 -5.290 1.00 0.00 O ATOM 0 H GLU A 96 -10.728 -9.152 -9.031 1.00 0.00 H new ATOM 0 HA GLU A 96 -11.844 -11.504 -10.074 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -11.036 -13.121 -8.337 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -9.840 -12.696 -9.545 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -8.490 -12.293 -7.741 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -9.328 -10.756 -7.676 1.00 0.00 H new ATOM 1518 N SER A 97 -11.875 -10.010 -7.147 1.00 0.00 N ATOM 1519 CA SER A 97 -12.741 -9.572 -6.065 1.00 0.00 C ATOM 1520 C SER A 97 -14.033 -8.985 -6.634 1.00 0.00 C ATOM 1521 O SER A 97 -14.007 -8.261 -7.627 1.00 0.00 O ATOM 1522 CB SER A 97 -12.036 -8.544 -5.177 1.00 0.00 C ATOM 1523 OG SER A 97 -12.102 -8.894 -3.798 1.00 0.00 O ATOM 0 H SER A 97 -10.912 -9.679 -7.084 1.00 0.00 H new ATOM 0 HA SER A 97 -12.984 -10.438 -5.449 1.00 0.00 H new ATOM 0 HB2 SER A 97 -10.992 -8.459 -5.480 1.00 0.00 H new ATOM 0 HB3 SER A 97 -12.492 -7.565 -5.324 1.00 0.00 H new ATOM 0 HG SER A 97 -11.639 -8.214 -3.265 1.00 0.00 H new ATOM 1529 N ILE A 98 -15.136 -9.318 -5.978 1.00 0.00 N ATOM 1530 CA ILE A 98 -16.438 -8.832 -6.405 1.00 0.00 C ATOM 1531 C ILE A 98 -17.059 -7.997 -5.283 1.00 0.00 C ATOM 1532 O ILE A 98 -16.392 -7.678 -4.301 1.00 0.00 O ATOM 1533 CB ILE A 98 -17.318 -9.994 -6.866 1.00 0.00 C ATOM 1534 CG1 ILE A 98 -17.565 -10.982 -5.723 1.00 0.00 C ATOM 1535 CG2 ILE A 98 -16.720 -10.681 -8.097 1.00 0.00 C ATOM 1536 CD1 ILE A 98 -19.057 -11.290 -5.579 1.00 0.00 C ATOM 0 H ILE A 98 -15.155 -9.919 -5.154 1.00 0.00 H new ATOM 0 HA ILE A 98 -16.336 -8.177 -7.270 1.00 0.00 H new ATOM 0 HB ILE A 98 -18.287 -9.592 -7.160 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -17.016 -11.905 -5.910 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -17.184 -10.567 -4.790 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -17.366 -11.504 -8.404 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -16.637 -9.961 -8.911 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -15.731 -11.068 -7.853 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -19.206 -11.994 -4.760 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -19.600 -10.369 -5.368 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -19.429 -11.727 -6.506 1.00 0.00 H new ATOM 1548 N ILE A 99 -18.328 -7.667 -5.469 1.00 0.00 N ATOM 1549 CA ILE A 99 -19.048 -6.875 -4.486 1.00 0.00 C ATOM 1550 C ILE A 99 -20.164 -7.722 -3.873 1.00 0.00 C ATOM 1551 O ILE A 99 -20.338 -8.884 -4.237 1.00 0.00 O ATOM 1552 CB ILE A 99 -19.538 -5.566 -5.107 1.00 0.00 C ATOM 1553 CG1 ILE A 99 -20.435 -5.837 -6.317 1.00 0.00 C ATOM 1554 CG2 ILE A 99 -18.363 -4.651 -5.459 1.00 0.00 C ATOM 1555 CD1 ILE A 99 -21.133 -4.555 -6.778 1.00 0.00 C ATOM 0 H ILE A 99 -18.877 -7.934 -6.286 1.00 0.00 H new ATOM 0 HA ILE A 99 -18.385 -6.585 -3.671 1.00 0.00 H new ATOM 0 HB ILE A 99 -20.143 -5.042 -4.367 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -19.838 -6.244 -7.133 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -21.181 -6.590 -6.061 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -18.740 -3.728 -5.899 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -17.799 -4.419 -4.555 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -17.712 -5.154 -6.174 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -21.765 -4.774 -7.639 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -21.748 -4.164 -5.967 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -20.385 -3.813 -7.056 1.00 0.00 H new ATOM 1567 N THR A 100 -20.891 -7.107 -2.951 1.00 0.00 N ATOM 1568 CA THR A 100 -21.987 -7.790 -2.284 1.00 0.00 C ATOM 1569 C THR A 100 -23.085 -6.794 -1.907 1.00 0.00 C ATOM 1570 O THR A 100 -22.842 -5.854 -1.152 1.00 0.00 O ATOM 1571 CB THR A 100 -21.412 -8.546 -1.085 1.00 0.00 C ATOM 1572 OG1 THR A 100 -22.338 -9.607 -0.866 1.00 0.00 O ATOM 1573 CG2 THR A 100 -21.474 -7.726 0.206 1.00 0.00 C ATOM 0 H THR A 100 -20.743 -6.144 -2.650 1.00 0.00 H new ATOM 0 HA THR A 100 -22.463 -8.515 -2.944 1.00 0.00 H new ATOM 0 HB THR A 100 -20.378 -8.823 -1.292 1.00 0.00 H new ATOM 0 HG1 THR A 100 -22.040 -10.149 -0.106 1.00 0.00 H new ATOM 0 HG21 THR A 100 -21.054 -8.307 1.027 1.00 0.00 H new ATOM 0 HG22 THR A 100 -20.901 -6.807 0.081 1.00 0.00 H new ATOM 0 HG23 THR A 100 -22.512 -7.479 0.430 1.00 0.00 H new ATOM 1581 N THR A 101 -24.271 -7.035 -2.448 1.00 0.00 N ATOM 1582 CA THR A 101 -25.406 -6.172 -2.177 1.00 0.00 C ATOM 1583 C THR A 101 -26.309 -6.796 -1.111 1.00 0.00 C ATOM 1584 O THR A 101 -26.168 -7.973 -0.786 1.00 0.00 O ATOM 1585 CB THR A 101 -26.125 -5.907 -3.502 1.00 0.00 C ATOM 1586 OG1 THR A 101 -27.118 -4.940 -3.171 1.00 0.00 O ATOM 1587 CG2 THR A 101 -26.929 -7.115 -3.983 1.00 0.00 C ATOM 0 H THR A 101 -24.469 -7.816 -3.073 1.00 0.00 H new ATOM 0 HA THR A 101 -25.085 -5.215 -1.766 1.00 0.00 H new ATOM 0 HB THR A 101 -25.394 -5.631 -4.262 1.00 0.00 H new ATOM 0 HG1 THR A 101 -27.630 -4.709 -3.974 1.00 0.00 H new ATOM 0 HG21 THR A 101 -27.419 -6.874 -4.926 1.00 0.00 H new ATOM 0 HG22 THR A 101 -26.260 -7.963 -4.128 1.00 0.00 H new ATOM 0 HG23 THR A 101 -27.682 -7.371 -3.238 1.00 0.00 H new ATOM 1595 N ILE A 102 -27.213 -5.978 -0.594 1.00 0.00 N ATOM 1596 CA ILE A 102 -28.138 -6.435 0.429 1.00 0.00 C ATOM 1597 C ILE A 102 -29.154 -5.328 0.722 1.00 0.00 C ATOM 1598 O ILE A 102 -28.831 -4.144 0.635 1.00 0.00 O ATOM 1599 CB ILE A 102 -27.375 -6.913 1.666 1.00 0.00 C ATOM 1600 CG1 ILE A 102 -28.278 -7.741 2.581 1.00 0.00 C ATOM 1601 CG2 ILE A 102 -26.735 -5.736 2.404 1.00 0.00 C ATOM 1602 CD1 ILE A 102 -29.133 -6.837 3.472 1.00 0.00 C ATOM 0 H ILE A 102 -27.325 -5.001 -0.864 1.00 0.00 H new ATOM 0 HA ILE A 102 -28.700 -7.300 0.076 1.00 0.00 H new ATOM 0 HB ILE A 102 -26.566 -7.565 1.337 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -28.924 -8.380 1.979 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -27.669 -8.398 3.202 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -26.199 -6.103 3.279 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -26.038 -5.225 1.739 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -27.511 -5.039 2.720 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -29.766 -7.451 4.113 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -28.484 -6.217 4.090 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -29.759 -6.199 2.849 1.00 0.00 H new ATOM 1614 N ASP A 103 -30.362 -5.753 1.065 1.00 0.00 N ATOM 1615 CA ASP A 103 -31.426 -4.813 1.373 1.00 0.00 C ATOM 1616 C ASP A 103 -32.625 -5.577 1.939 1.00 0.00 C ATOM 1617 O ASP A 103 -32.680 -6.803 1.857 1.00 0.00 O ATOM 1618 CB ASP A 103 -31.887 -4.073 0.115 1.00 0.00 C ATOM 1619 CG ASP A 103 -32.333 -4.973 -1.038 1.00 0.00 C ATOM 1620 OD1 ASP A 103 -31.435 -5.551 -1.687 1.00 0.00 O ATOM 1621 OD2 ASP A 103 -33.563 -5.064 -1.244 1.00 0.00 O ATOM 0 H ASP A 103 -30.627 -6.735 1.136 1.00 0.00 H new ATOM 0 HA ASP A 103 -31.043 -4.092 2.095 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -32.713 -3.414 0.382 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -31.072 -3.438 -0.234 1.00 0.00 H new