USER MOD reduce.3.24.130724 H: found=0, std=0, add=685, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 687 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 83 HIS : no HD1:sc= -0.446 K(o=2.3,f=-0.96!) USER MOD Set 1.2: A 98 ASN : amide:sc= 1.58 K(o=2.3,f=0.062) USER MOD Set 1.3: A 100 THR OG1 : rot 93:sc= 1.16 USER MOD Set 2.1: A 62 TYR OH : rot 150:sc= -0.653 USER MOD Set 2.2: A 79 HIS : no HD1:sc= 0.0364 K(o=-0.62,f=-3) USER MOD Single : A 8 THR OG1 : rot -41:sc= -0.534 USER MOD Single : A 11 GLN : amide:sc= -0.19 K(o=-0.19,f=-0.72) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 32 SER OG : rot 30:sc= 0.135 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HE2:sc= 1.05 K(o=1.1,f=-3.2!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot -30:sc= 0.579 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN :FLIP amide:sc= -0.263 F(o=-2.7,f=-0.26) USER MOD Single : A 59 GLN : amide:sc= 0.436 X(o=0.44,f=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0205) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0.00172 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.0301 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl 172:sc=-0.00114 (180deg=-0.133) USER MOD Single : A 87 SER OG : rot 90:sc= 1.23 USER MOD Single : A 88 GLN : amide:sc= 1.01 K(o=1,f=-4.4!) USER MOD Single : A 92 SER OG : rot -36:sc= 0.177 USER MOD Single : A 97 GLN :FLIP amide:sc= -0.0135 F(o=-1.2,f=-0.013) USER MOD Single : A 104 LYS NZ :NH3+ -165:sc= -0.0266 (180deg=-0.29) USER MOD ----------------------------------------------------------------- ATOM 120 N THR A 8 1.804 13.136 -2.513 1.00 0.00 N ATOM 121 CA THR A 8 2.126 11.722 -2.635 1.00 0.00 C ATOM 122 C THR A 8 1.470 10.897 -1.529 1.00 0.00 C ATOM 123 O THR A 8 0.944 11.451 -0.558 1.00 0.00 O ATOM 124 CB THR A 8 3.653 11.503 -2.629 1.00 0.00 C ATOM 125 OG1 THR A 8 4.255 12.207 -1.536 1.00 0.00 O ATOM 126 CG2 THR A 8 4.265 11.973 -3.938 1.00 0.00 C ATOM 0 HA THR A 8 1.727 11.381 -3.590 1.00 0.00 H new ATOM 0 HB THR A 8 3.842 10.436 -2.513 1.00 0.00 H new ATOM 0 HG1 THR A 8 3.833 13.086 -1.441 1.00 0.00 H new ATOM 0 HG21 THR A 8 5.343 11.810 -3.915 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.831 11.411 -4.765 1.00 0.00 H new ATOM 0 HG23 THR A 8 4.061 13.035 -4.074 1.00 0.00 H new ATOM 134 N VAL A 9 1.522 9.571 -1.684 1.00 0.00 N ATOM 135 CA VAL A 9 0.820 8.639 -0.800 1.00 0.00 C ATOM 136 C VAL A 9 1.119 8.900 0.672 1.00 0.00 C ATOM 137 O VAL A 9 0.200 9.061 1.474 1.00 0.00 O ATOM 138 CB VAL A 9 1.171 7.173 -1.134 1.00 0.00 C ATOM 139 CG1 VAL A 9 0.402 6.209 -0.241 1.00 0.00 C ATOM 140 CG2 VAL A 9 0.895 6.875 -2.598 1.00 0.00 C ATOM 0 H VAL A 9 2.052 9.114 -2.426 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.243 8.806 -0.971 1.00 0.00 H new ATOM 0 HB VAL A 9 2.236 7.033 -0.947 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.668 5.184 -0.498 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.655 6.399 0.802 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.669 6.353 -0.387 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.149 5.837 -2.812 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.161 7.041 -2.810 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.499 7.533 -3.223 1.00 0.00 H new ATOM 150 N GLU A 10 2.397 8.969 1.020 1.00 0.00 N ATOM 151 CA GLU A 10 2.793 9.125 2.414 1.00 0.00 C ATOM 152 C GLU A 10 2.314 10.459 2.981 1.00 0.00 C ATOM 153 O GLU A 10 2.042 10.571 4.176 1.00 0.00 O ATOM 154 CB GLU A 10 4.312 9.007 2.561 1.00 0.00 C ATOM 155 CG GLU A 10 5.093 10.047 1.777 1.00 0.00 C ATOM 156 CD GLU A 10 6.569 10.012 2.092 1.00 0.00 C ATOM 157 OE1 GLU A 10 6.967 10.571 3.137 1.00 0.00 O ATOM 158 OE2 GLU A 10 7.338 9.437 1.298 1.00 0.00 O ATOM 0 H GLU A 10 3.174 8.920 0.361 1.00 0.00 H new ATOM 0 HA GLU A 10 2.320 8.324 2.982 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.572 9.092 3.616 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.622 8.014 2.236 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.947 9.879 0.710 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.699 11.039 2.001 1.00 0.00 H new ATOM 165 N GLN A 11 2.180 11.457 2.116 1.00 0.00 N ATOM 166 CA GLN A 11 1.807 12.795 2.553 1.00 0.00 C ATOM 167 C GLN A 11 0.325 12.870 2.897 1.00 0.00 C ATOM 168 O GLN A 11 -0.038 13.355 3.971 1.00 0.00 O ATOM 169 CB GLN A 11 2.159 13.835 1.487 1.00 0.00 C ATOM 170 CG GLN A 11 3.634 13.856 1.116 1.00 0.00 C ATOM 171 CD GLN A 11 4.552 14.047 2.311 1.00 0.00 C ATOM 172 OE1 GLN A 11 4.197 14.695 3.299 1.00 0.00 O ATOM 173 NE2 GLN A 11 5.744 13.478 2.227 1.00 0.00 N ATOM 0 H GLN A 11 2.324 11.365 1.110 1.00 0.00 H new ATOM 0 HA GLN A 11 2.377 13.017 3.455 1.00 0.00 H new ATOM 0 HB2 GLN A 11 1.571 13.637 0.591 1.00 0.00 H new ATOM 0 HB3 GLN A 11 1.870 14.823 1.846 1.00 0.00 H new ATOM 0 HG2 GLN A 11 3.889 12.921 0.617 1.00 0.00 H new ATOM 0 HG3 GLN A 11 3.810 14.659 0.400 1.00 0.00 H new ATOM 0 HE21 GLN A 11 6.000 12.950 1.392 1.00 0.00 H new ATOM 0 HE22 GLN A 11 6.407 13.567 2.997 1.00 0.00 H new ATOM 182 N TRP A 12 -0.540 12.392 2.003 1.00 0.00 N ATOM 183 CA TRP A 12 -1.974 12.452 2.267 1.00 0.00 C ATOM 184 C TRP A 12 -2.363 11.428 3.322 1.00 0.00 C ATOM 185 O TRP A 12 -3.275 11.659 4.112 1.00 0.00 O ATOM 186 CB TRP A 12 -2.824 12.272 0.992 1.00 0.00 C ATOM 187 CG TRP A 12 -2.712 10.928 0.322 1.00 0.00 C ATOM 188 CD1 TRP A 12 -1.946 10.623 -0.763 1.00 0.00 C ATOM 189 CD2 TRP A 12 -3.417 9.720 0.665 1.00 0.00 C ATOM 190 NE1 TRP A 12 -2.112 9.303 -1.104 1.00 0.00 N ATOM 191 CE2 TRP A 12 -3.005 8.725 -0.242 1.00 0.00 C ATOM 192 CE3 TRP A 12 -4.342 9.380 1.656 1.00 0.00 C ATOM 193 CZ2 TRP A 12 -3.487 7.419 -0.189 1.00 0.00 C ATOM 194 CZ3 TRP A 12 -4.819 8.084 1.709 1.00 0.00 C ATOM 195 CH2 TRP A 12 -4.391 7.117 0.792 1.00 0.00 C ATOM 0 H TRP A 12 -0.281 11.969 1.112 1.00 0.00 H new ATOM 0 HA TRP A 12 -2.186 13.452 2.644 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -3.870 12.446 1.246 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -2.538 13.041 0.274 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -1.302 11.319 -1.280 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -1.644 8.829 -1.877 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -4.679 10.118 2.369 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -3.159 6.672 -0.897 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -5.534 7.813 2.471 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -4.782 6.113 0.860 1.00 0.00 H new ATOM 206 N LEU A 13 -1.650 10.308 3.347 1.00 0.00 N ATOM 207 CA LEU A 13 -1.934 9.249 4.300 1.00 0.00 C ATOM 208 C LEU A 13 -1.589 9.707 5.711 1.00 0.00 C ATOM 209 O LEU A 13 -2.279 9.365 6.665 1.00 0.00 O ATOM 210 CB LEU A 13 -1.162 7.977 3.937 1.00 0.00 C ATOM 211 CG LEU A 13 -1.571 6.719 4.705 1.00 0.00 C ATOM 212 CD1 LEU A 13 -3.055 6.437 4.520 1.00 0.00 C ATOM 213 CD2 LEU A 13 -0.745 5.528 4.244 1.00 0.00 C ATOM 0 H LEU A 13 -0.872 10.113 2.717 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.999 9.020 4.262 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.288 7.788 2.871 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.100 8.156 4.106 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.383 6.886 5.766 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.326 5.538 5.074 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.635 7.282 4.892 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.268 6.289 3.461 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.046 4.640 4.799 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.907 5.363 3.179 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.312 5.727 4.424 1.00 0.00 H new ATOM 225 N ASN A 14 -0.537 10.511 5.833 1.00 0.00 N ATOM 226 CA ASN A 14 -0.152 11.074 7.123 1.00 0.00 C ATOM 227 C ASN A 14 -1.284 11.927 7.695 1.00 0.00 C ATOM 228 O ASN A 14 -1.587 11.860 8.890 1.00 0.00 O ATOM 229 CB ASN A 14 1.129 11.901 6.987 1.00 0.00 C ATOM 230 CG ASN A 14 1.530 12.585 8.284 1.00 0.00 C ATOM 231 OD1 ASN A 14 1.155 13.729 8.541 1.00 0.00 O ATOM 232 ND2 ASN A 14 2.292 11.890 9.114 1.00 0.00 N ATOM 0 H ASN A 14 0.063 10.787 5.056 1.00 0.00 H new ATOM 0 HA ASN A 14 0.041 10.253 7.813 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.941 11.253 6.657 1.00 0.00 H new ATOM 0 HB3 ASN A 14 0.989 12.655 6.212 1.00 0.00 H new ATOM 0 HD21 ASN A 14 2.587 12.300 10.000 1.00 0.00 H new ATOM 0 HD22 ASN A 14 2.584 10.944 8.868 1.00 0.00 H new ATOM 239 N ARG A 15 -1.923 12.718 6.839 1.00 0.00 N ATOM 240 CA ARG A 15 -3.078 13.501 7.262 1.00 0.00 C ATOM 241 C ARG A 15 -4.287 12.591 7.449 1.00 0.00 C ATOM 242 O ARG A 15 -5.087 12.789 8.361 1.00 0.00 O ATOM 243 CB ARG A 15 -3.416 14.601 6.252 1.00 0.00 C ATOM 244 CG ARG A 15 -4.635 15.405 6.667 1.00 0.00 C ATOM 245 CD ARG A 15 -5.062 16.399 5.607 1.00 0.00 C ATOM 246 NE ARG A 15 -6.317 17.053 5.973 1.00 0.00 N ATOM 247 CZ ARG A 15 -6.780 18.158 5.388 1.00 0.00 C ATOM 248 NH1 ARG A 15 -6.084 18.751 4.427 1.00 0.00 N ATOM 249 NH2 ARG A 15 -7.941 18.674 5.774 1.00 0.00 N ATOM 0 H ARG A 15 -1.664 12.833 5.859 1.00 0.00 H new ATOM 0 HA ARG A 15 -2.824 13.977 8.209 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -2.561 15.269 6.145 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -3.594 14.152 5.275 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -5.461 14.725 6.877 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -4.417 15.937 7.593 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -4.283 17.150 5.473 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -5.180 15.888 4.651 1.00 0.00 H new ATOM 0 HE ARG A 15 -6.872 16.639 6.722 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -5.189 18.362 4.131 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -6.444 19.596 3.984 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -8.477 18.225 6.517 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -8.297 19.519 5.328 1.00 0.00 H new ATOM 263 N TRP A 16 -4.402 11.592 6.582 1.00 0.00 N ATOM 264 CA TRP A 16 -5.492 10.626 6.640 1.00 0.00 C ATOM 265 C TRP A 16 -5.539 9.976 8.021 1.00 0.00 C ATOM 266 O TRP A 16 -6.584 9.941 8.666 1.00 0.00 O ATOM 267 CB TRP A 16 -5.296 9.562 5.555 1.00 0.00 C ATOM 268 CG TRP A 16 -6.552 8.857 5.155 1.00 0.00 C ATOM 269 CD1 TRP A 16 -7.053 7.703 5.683 1.00 0.00 C ATOM 270 CD2 TRP A 16 -7.460 9.255 4.123 1.00 0.00 C ATOM 271 NE1 TRP A 16 -8.219 7.362 5.044 1.00 0.00 N ATOM 272 CE2 TRP A 16 -8.490 8.299 4.083 1.00 0.00 C ATOM 273 CE3 TRP A 16 -7.503 10.330 3.228 1.00 0.00 C ATOM 274 CZ2 TRP A 16 -9.550 8.381 3.184 1.00 0.00 C ATOM 275 CZ3 TRP A 16 -8.555 10.410 2.337 1.00 0.00 C ATOM 276 CH2 TRP A 16 -9.568 9.443 2.322 1.00 0.00 C ATOM 0 H TRP A 16 -3.743 11.429 5.820 1.00 0.00 H new ATOM 0 HA TRP A 16 -6.438 11.138 6.465 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -4.861 10.033 4.674 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -4.576 8.825 5.910 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -6.599 7.141 6.486 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -8.791 6.543 5.251 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -6.728 11.083 3.234 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -10.329 7.634 3.168 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -8.597 11.233 1.639 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -10.380 9.538 1.616 1.00 0.00 H new ATOM 541 N SER A 32 -1.797 -1.988 14.536 1.00 0.00 N ATOM 542 CA SER A 32 -0.745 -2.772 13.892 1.00 0.00 C ATOM 543 C SER A 32 -0.770 -2.677 12.361 1.00 0.00 C ATOM 544 O SER A 32 0.100 -3.227 11.686 1.00 0.00 O ATOM 545 CB SER A 32 -0.855 -4.224 14.346 1.00 0.00 C ATOM 546 OG SER A 32 -0.800 -4.308 15.765 1.00 0.00 O ATOM 0 HA SER A 32 0.213 -2.353 14.200 1.00 0.00 H new ATOM 0 HB2 SER A 32 -1.790 -4.654 13.986 1.00 0.00 H new ATOM 0 HB3 SER A 32 -0.046 -4.810 13.910 1.00 0.00 H new ATOM 0 HG SER A 32 -1.173 -3.490 16.156 1.00 0.00 H new ATOM 552 N TYR A 33 -1.750 -1.969 11.813 1.00 0.00 N ATOM 553 CA TYR A 33 -1.794 -1.727 10.379 1.00 0.00 C ATOM 554 C TYR A 33 -0.806 -0.619 10.017 1.00 0.00 C ATOM 555 O TYR A 33 -0.373 -0.507 8.874 1.00 0.00 O ATOM 556 CB TYR A 33 -3.218 -1.360 9.928 1.00 0.00 C ATOM 557 CG TYR A 33 -3.740 -0.050 10.486 1.00 0.00 C ATOM 558 CD1 TYR A 33 -4.387 -0.002 11.715 1.00 0.00 C ATOM 559 CD2 TYR A 33 -3.592 1.136 9.778 1.00 0.00 C ATOM 560 CE1 TYR A 33 -4.870 1.191 12.221 1.00 0.00 C ATOM 561 CE2 TYR A 33 -4.072 2.330 10.279 1.00 0.00 C ATOM 562 CZ TYR A 33 -4.708 2.351 11.500 1.00 0.00 C ATOM 563 OH TYR A 33 -5.185 3.538 12.002 1.00 0.00 O ATOM 0 H TYR A 33 -2.520 -1.555 12.338 1.00 0.00 H new ATOM 0 HA TYR A 33 -1.509 -2.640 9.857 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -3.238 -1.310 8.839 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -3.896 -2.161 10.223 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -4.515 -0.911 12.284 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -3.093 1.124 8.820 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -5.372 1.212 13.177 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -3.949 3.243 9.716 1.00 0.00 H new ATOM 0 HH TYR A 33 -4.989 4.262 11.371 1.00 0.00 H new ATOM 573 N GLU A 34 -0.446 0.180 11.020 1.00 0.00 N ATOM 574 CA GLU A 34 0.481 1.293 10.846 1.00 0.00 C ATOM 575 C GLU A 34 1.842 0.800 10.364 1.00 0.00 C ATOM 576 O GLU A 34 2.293 1.153 9.272 1.00 0.00 O ATOM 577 CB GLU A 34 0.646 2.028 12.180 1.00 0.00 C ATOM 578 CG GLU A 34 1.610 3.204 12.137 1.00 0.00 C ATOM 579 CD GLU A 34 0.983 4.461 11.578 1.00 0.00 C ATOM 580 OE1 GLU A 34 0.072 5.009 12.239 1.00 0.00 O ATOM 581 OE2 GLU A 34 1.418 4.927 10.503 1.00 0.00 O ATOM 0 H GLU A 34 -0.789 0.073 11.975 1.00 0.00 H new ATOM 0 HA GLU A 34 0.075 1.969 10.094 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.330 2.387 12.506 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.992 1.318 12.931 1.00 0.00 H new ATOM 0 HG2 GLU A 34 1.976 3.404 13.144 1.00 0.00 H new ATOM 0 HG3 GLU A 34 2.475 2.936 11.531 1.00 0.00 H new ATOM 588 N THR A 35 2.471 -0.040 11.183 1.00 0.00 N ATOM 589 CA THR A 35 3.826 -0.513 10.934 1.00 0.00 C ATOM 590 C THR A 35 3.973 -1.131 9.544 1.00 0.00 C ATOM 591 O THR A 35 4.720 -0.616 8.713 1.00 0.00 O ATOM 592 CB THR A 35 4.251 -1.542 12.000 1.00 0.00 C ATOM 593 OG1 THR A 35 4.158 -0.957 13.307 1.00 0.00 O ATOM 594 CG2 THR A 35 5.675 -2.023 11.759 1.00 0.00 C ATOM 0 H THR A 35 2.054 -0.410 12.037 1.00 0.00 H new ATOM 0 HA THR A 35 4.478 0.359 10.989 1.00 0.00 H new ATOM 0 HB THR A 35 3.580 -2.398 11.931 1.00 0.00 H new ATOM 0 HG1 THR A 35 4.428 -1.616 13.980 1.00 0.00 H new ATOM 0 HG21 THR A 35 5.949 -2.748 12.526 1.00 0.00 H new ATOM 0 HG22 THR A 35 5.740 -2.491 10.777 1.00 0.00 H new ATOM 0 HG23 THR A 35 6.358 -1.174 11.802 1.00 0.00 H new ATOM 602 N VAL A 36 3.239 -2.209 9.286 1.00 0.00 N ATOM 603 CA VAL A 36 3.386 -2.956 8.040 1.00 0.00 C ATOM 604 C VAL A 36 3.184 -2.076 6.808 1.00 0.00 C ATOM 605 O VAL A 36 3.957 -2.158 5.844 1.00 0.00 O ATOM 606 CB VAL A 36 2.412 -4.150 7.969 1.00 0.00 C ATOM 607 CG1 VAL A 36 2.800 -5.212 8.979 1.00 0.00 C ATOM 608 CG2 VAL A 36 0.974 -3.699 8.188 1.00 0.00 C ATOM 0 H VAL A 36 2.536 -2.585 9.923 1.00 0.00 H new ATOM 0 HA VAL A 36 4.411 -3.328 8.039 1.00 0.00 H new ATOM 0 HB VAL A 36 2.478 -4.581 6.970 1.00 0.00 H new ATOM 0 HG11 VAL A 36 2.102 -6.047 8.915 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.809 -5.565 8.766 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.768 -4.788 9.983 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.310 -4.561 8.133 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.884 -3.234 9.170 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.698 -2.978 7.419 1.00 0.00 H new ATOM 618 N LEU A 37 2.167 -1.225 6.851 1.00 0.00 N ATOM 619 CA LEU A 37 1.813 -0.407 5.708 1.00 0.00 C ATOM 620 C LEU A 37 2.933 0.570 5.379 1.00 0.00 C ATOM 621 O LEU A 37 3.544 0.485 4.312 1.00 0.00 O ATOM 622 CB LEU A 37 0.512 0.350 5.985 1.00 0.00 C ATOM 623 CG LEU A 37 -0.123 1.025 4.769 1.00 0.00 C ATOM 624 CD1 LEU A 37 -0.524 -0.015 3.732 1.00 0.00 C ATOM 625 CD2 LEU A 37 -1.329 1.853 5.188 1.00 0.00 C ATOM 0 H LEU A 37 1.574 -1.086 7.669 1.00 0.00 H new ATOM 0 HA LEU A 37 1.665 -1.060 4.848 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.210 -0.346 6.412 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.707 1.110 6.741 1.00 0.00 H new ATOM 0 HG LEU A 37 0.613 1.692 4.321 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.974 0.482 2.873 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.359 -0.567 3.410 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.244 -0.706 4.170 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.768 2.326 4.310 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -2.068 1.206 5.660 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.015 2.621 5.895 1.00 0.00 H new ATOM 637 N ARG A 38 3.233 1.463 6.314 1.00 0.00 N ATOM 638 CA ARG A 38 4.213 2.513 6.067 1.00 0.00 C ATOM 639 C ARG A 38 5.607 1.935 5.848 1.00 0.00 C ATOM 640 O ARG A 38 6.343 2.411 4.987 1.00 0.00 O ATOM 641 CB ARG A 38 4.216 3.544 7.203 1.00 0.00 C ATOM 642 CG ARG A 38 4.669 3.009 8.553 1.00 0.00 C ATOM 643 CD ARG A 38 4.508 4.059 9.641 1.00 0.00 C ATOM 644 NE ARG A 38 5.234 5.292 9.325 1.00 0.00 N ATOM 645 CZ ARG A 38 4.655 6.486 9.184 1.00 0.00 C ATOM 646 NH1 ARG A 38 3.344 6.615 9.357 1.00 0.00 N ATOM 647 NH2 ARG A 38 5.390 7.554 8.877 1.00 0.00 N ATOM 0 H ARG A 38 2.815 1.482 7.244 1.00 0.00 H new ATOM 0 HA ARG A 38 3.921 3.025 5.150 1.00 0.00 H new ATOM 0 HB2 ARG A 38 4.866 4.372 6.920 1.00 0.00 H new ATOM 0 HB3 ARG A 38 3.210 3.950 7.308 1.00 0.00 H new ATOM 0 HG2 ARG A 38 4.088 2.123 8.810 1.00 0.00 H new ATOM 0 HG3 ARG A 38 5.713 2.700 8.493 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.450 4.285 9.773 1.00 0.00 H new ATOM 0 HD3 ARG A 38 4.869 3.658 10.588 1.00 0.00 H new ATOM 0 HE ARG A 38 6.245 5.234 9.205 1.00 0.00 H new ATOM 0 HH11 ARG A 38 2.779 5.801 9.598 1.00 0.00 H new ATOM 0 HH12 ARG A 38 2.903 7.528 9.249 1.00 0.00 H new ATOM 0 HH21 ARG A 38 6.398 7.460 8.749 1.00 0.00 H new ATOM 0 HH22 ARG A 38 4.945 8.466 8.770 1.00 0.00 H new ATOM 661 N LEU A 39 5.946 0.887 6.594 1.00 0.00 N ATOM 662 CA LEU A 39 7.261 0.263 6.497 1.00 0.00 C ATOM 663 C LEU A 39 7.527 -0.270 5.092 1.00 0.00 C ATOM 664 O LEU A 39 8.645 -0.181 4.590 1.00 0.00 O ATOM 665 CB LEU A 39 7.377 -0.882 7.510 1.00 0.00 C ATOM 666 CG LEU A 39 8.676 -1.692 7.456 1.00 0.00 C ATOM 667 CD1 LEU A 39 9.861 -0.842 7.888 1.00 0.00 C ATOM 668 CD2 LEU A 39 8.561 -2.937 8.322 1.00 0.00 C ATOM 0 H LEU A 39 5.324 0.451 7.275 1.00 0.00 H new ATOM 0 HA LEU A 39 8.006 1.027 6.718 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.271 -0.467 8.512 1.00 0.00 H new ATOM 0 HB3 LEU A 39 6.540 -1.563 7.357 1.00 0.00 H new ATOM 0 HG LEU A 39 8.844 -2.004 6.425 1.00 0.00 H new ATOM 0 HD11 LEU A 39 10.772 -1.438 7.842 1.00 0.00 H new ATOM 0 HD12 LEU A 39 9.955 0.016 7.223 1.00 0.00 H new ATOM 0 HD13 LEU A 39 9.706 -0.494 8.909 1.00 0.00 H new ATOM 0 HD21 LEU A 39 9.492 -3.502 8.273 1.00 0.00 H new ATOM 0 HD22 LEU A 39 8.367 -2.646 9.354 1.00 0.00 H new ATOM 0 HD23 LEU A 39 7.741 -3.557 7.960 1.00 0.00 H new ATOM 680 N HIS A 40 6.500 -0.818 4.455 1.00 0.00 N ATOM 681 CA HIS A 40 6.693 -1.481 3.172 1.00 0.00 C ATOM 682 C HIS A 40 6.357 -0.586 1.983 1.00 0.00 C ATOM 683 O HIS A 40 7.199 -0.377 1.109 1.00 0.00 O ATOM 684 CB HIS A 40 5.881 -2.774 3.111 1.00 0.00 C ATOM 685 CG HIS A 40 6.399 -3.835 4.030 1.00 0.00 C ATOM 686 ND1 HIS A 40 5.825 -4.118 5.249 1.00 0.00 N ATOM 687 CD2 HIS A 40 7.449 -4.679 3.907 1.00 0.00 C ATOM 688 CE1 HIS A 40 6.500 -5.091 5.834 1.00 0.00 C ATOM 689 NE2 HIS A 40 7.488 -5.448 5.041 1.00 0.00 N ATOM 0 H HIS A 40 5.540 -0.817 4.799 1.00 0.00 H new ATOM 0 HA HIS A 40 7.755 -1.716 3.098 1.00 0.00 H new ATOM 0 HB2 HIS A 40 4.843 -2.557 3.364 1.00 0.00 H new ATOM 0 HB3 HIS A 40 5.887 -3.152 2.089 1.00 0.00 H new ATOM 0 HD1 HIS A 40 5.007 -3.650 5.639 1.00 0.00 H new ATOM 0 HD2 HIS A 40 8.130 -4.736 3.071 1.00 0.00 H new ATOM 0 HE1 HIS A 40 6.279 -5.521 6.800 1.00 0.00 H new ATOM 698 N VAL A 41 5.147 -0.044 1.947 1.00 0.00 N ATOM 699 CA VAL A 41 4.668 0.628 0.742 1.00 0.00 C ATOM 700 C VAL A 41 5.067 2.108 0.695 1.00 0.00 C ATOM 701 O VAL A 41 5.249 2.665 -0.387 1.00 0.00 O ATOM 702 CB VAL A 41 3.132 0.480 0.570 1.00 0.00 C ATOM 703 CG1 VAL A 41 2.367 1.267 1.619 1.00 0.00 C ATOM 704 CG2 VAL A 41 2.701 0.892 -0.831 1.00 0.00 C ATOM 0 H VAL A 41 4.486 -0.054 2.724 1.00 0.00 H new ATOM 0 HA VAL A 41 5.158 0.128 -0.093 1.00 0.00 H new ATOM 0 HB VAL A 41 2.891 -0.574 0.711 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.296 1.136 1.463 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.636 0.906 2.612 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.619 2.324 1.536 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.621 0.780 -0.927 1.00 0.00 H new ATOM 0 HG22 VAL A 41 2.974 1.933 -1.004 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.199 0.259 -1.566 1.00 0.00 H new ATOM 714 N ILE A 42 5.249 2.740 1.851 1.00 0.00 N ATOM 715 CA ILE A 42 5.533 4.177 1.889 1.00 0.00 C ATOM 716 C ILE A 42 6.903 4.531 1.277 1.00 0.00 C ATOM 717 O ILE A 42 6.979 5.447 0.458 1.00 0.00 O ATOM 718 CB ILE A 42 5.386 4.762 3.325 1.00 0.00 C ATOM 719 CG1 ILE A 42 3.982 5.351 3.521 1.00 0.00 C ATOM 720 CG2 ILE A 42 6.438 5.829 3.616 1.00 0.00 C ATOM 721 CD1 ILE A 42 2.851 4.404 3.183 1.00 0.00 C ATOM 0 H ILE A 42 5.206 2.289 2.765 1.00 0.00 H new ATOM 0 HA ILE A 42 4.778 4.649 1.261 1.00 0.00 H new ATOM 0 HB ILE A 42 5.538 3.941 4.026 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.876 5.667 4.559 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.887 6.245 2.904 1.00 0.00 H new ATOM 0 HG21 ILE A 42 6.299 6.210 4.628 1.00 0.00 H new ATOM 0 HG22 ILE A 42 7.433 5.393 3.526 1.00 0.00 H new ATOM 0 HG23 ILE A 42 6.334 6.647 2.903 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.896 4.903 3.351 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.926 4.106 2.137 1.00 0.00 H new ATOM 0 HD13 ILE A 42 2.915 3.520 3.817 1.00 0.00 H new ATOM 733 N PRO A 43 8.001 3.828 1.627 1.00 0.00 N ATOM 734 CA PRO A 43 9.328 4.167 1.103 1.00 0.00 C ATOM 735 C PRO A 43 9.513 3.776 -0.364 1.00 0.00 C ATOM 736 O PRO A 43 10.444 4.240 -1.023 1.00 0.00 O ATOM 737 CB PRO A 43 10.274 3.360 1.990 1.00 0.00 C ATOM 738 CG PRO A 43 9.473 2.181 2.401 1.00 0.00 C ATOM 739 CD PRO A 43 8.066 2.683 2.560 1.00 0.00 C ATOM 0 HA PRO A 43 9.502 5.243 1.125 1.00 0.00 H new ATOM 0 HB2 PRO A 43 11.171 3.062 1.447 1.00 0.00 H new ATOM 0 HB3 PRO A 43 10.601 3.939 2.853 1.00 0.00 H new ATOM 0 HG2 PRO A 43 9.525 1.391 1.651 1.00 0.00 H new ATOM 0 HG3 PRO A 43 9.846 1.760 3.334 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.335 1.916 2.305 1.00 0.00 H new ATOM 0 HD3 PRO A 43 7.863 2.989 3.586 1.00 0.00 H new ATOM 747 N THR A 44 8.633 2.923 -0.881 1.00 0.00 N ATOM 748 CA THR A 44 8.779 2.444 -2.248 1.00 0.00 C ATOM 749 C THR A 44 7.739 3.057 -3.196 1.00 0.00 C ATOM 750 O THR A 44 8.072 3.437 -4.316 1.00 0.00 O ATOM 751 CB THR A 44 8.728 0.894 -2.327 1.00 0.00 C ATOM 752 OG1 THR A 44 9.084 0.458 -3.646 1.00 0.00 O ATOM 753 CG2 THR A 44 7.352 0.352 -1.973 1.00 0.00 C ATOM 0 H THR A 44 7.824 2.555 -0.381 1.00 0.00 H new ATOM 0 HA THR A 44 9.765 2.772 -2.577 1.00 0.00 H new ATOM 0 HB THR A 44 9.442 0.508 -1.599 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.051 -0.521 -3.687 1.00 0.00 H new ATOM 0 HG21 THR A 44 7.361 -0.736 -2.041 1.00 0.00 H new ATOM 0 HG22 THR A 44 7.094 0.650 -0.957 1.00 0.00 H new ATOM 0 HG23 THR A 44 6.613 0.753 -2.667 1.00 0.00 H new ATOM 761 N LEU A 45 6.490 3.160 -2.753 1.00 0.00 N ATOM 762 CA LEU A 45 5.418 3.646 -3.618 1.00 0.00 C ATOM 763 C LEU A 45 4.740 4.874 -3.026 1.00 0.00 C ATOM 764 O LEU A 45 3.954 5.541 -3.693 1.00 0.00 O ATOM 765 CB LEU A 45 4.379 2.543 -3.854 1.00 0.00 C ATOM 766 CG LEU A 45 4.907 1.272 -4.523 1.00 0.00 C ATOM 767 CD1 LEU A 45 3.786 0.262 -4.712 1.00 0.00 C ATOM 768 CD2 LEU A 45 5.554 1.600 -5.858 1.00 0.00 C ATOM 0 H LEU A 45 6.195 2.916 -1.808 1.00 0.00 H new ATOM 0 HA LEU A 45 5.866 3.929 -4.571 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.939 2.271 -2.894 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.576 2.950 -4.469 1.00 0.00 H new ATOM 0 HG LEU A 45 5.662 0.832 -3.872 1.00 0.00 H new ATOM 0 HD11 LEU A 45 4.181 -0.635 -5.189 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.364 0.001 -3.741 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.008 0.695 -5.341 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.923 0.684 -6.318 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.818 2.065 -6.514 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.385 2.287 -5.700 1.00 0.00 H new ATOM 780 N GLY A 46 5.068 5.182 -1.776 1.00 0.00 N ATOM 781 CA GLY A 46 4.464 6.318 -1.102 1.00 0.00 C ATOM 782 C GLY A 46 4.886 7.642 -1.705 1.00 0.00 C ATOM 783 O GLY A 46 4.281 8.677 -1.436 1.00 0.00 O ATOM 0 H GLY A 46 5.744 4.663 -1.215 1.00 0.00 H new ATOM 0 HA2 GLY A 46 3.379 6.230 -1.150 1.00 0.00 H new ATOM 0 HA3 GLY A 46 4.739 6.299 -0.047 1.00 0.00 H new ATOM 787 N SER A 47 5.923 7.602 -2.528 1.00 0.00 N ATOM 788 CA SER A 47 6.422 8.791 -3.192 1.00 0.00 C ATOM 789 C SER A 47 5.880 8.873 -4.621 1.00 0.00 C ATOM 790 O SER A 47 6.257 9.759 -5.389 1.00 0.00 O ATOM 791 CB SER A 47 7.954 8.774 -3.192 1.00 0.00 C ATOM 792 OG SER A 47 8.495 9.959 -3.754 1.00 0.00 O ATOM 0 H SER A 47 6.437 6.750 -2.752 1.00 0.00 H new ATOM 0 HA SER A 47 6.079 9.674 -2.652 1.00 0.00 H new ATOM 0 HB2 SER A 47 8.316 8.658 -2.170 1.00 0.00 H new ATOM 0 HB3 SER A 47 8.308 7.910 -3.755 1.00 0.00 H new ATOM 0 HG SER A 47 7.878 10.313 -4.428 1.00 0.00 H new ATOM 798 N ILE A 48 4.986 7.953 -4.962 1.00 0.00 N ATOM 799 CA ILE A 48 4.385 7.915 -6.289 1.00 0.00 C ATOM 800 C ILE A 48 2.911 8.305 -6.208 1.00 0.00 C ATOM 801 O ILE A 48 2.191 7.838 -5.326 1.00 0.00 O ATOM 802 CB ILE A 48 4.518 6.508 -6.926 1.00 0.00 C ATOM 803 CG1 ILE A 48 5.994 6.125 -7.075 1.00 0.00 C ATOM 804 CG2 ILE A 48 3.818 6.447 -8.280 1.00 0.00 C ATOM 805 CD1 ILE A 48 6.212 4.755 -7.688 1.00 0.00 C ATOM 0 H ILE A 48 4.660 7.219 -4.333 1.00 0.00 H new ATOM 0 HA ILE A 48 4.917 8.628 -6.919 1.00 0.00 H new ATOM 0 HB ILE A 48 4.033 5.793 -6.261 1.00 0.00 H new ATOM 0 HG12 ILE A 48 6.493 6.872 -7.692 1.00 0.00 H new ATOM 0 HG13 ILE A 48 6.468 6.153 -6.094 1.00 0.00 H new ATOM 0 HG21 ILE A 48 3.929 5.448 -8.702 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.759 6.672 -8.153 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.266 7.177 -8.954 1.00 0.00 H new ATOM 0 HD11 ILE A 48 7.281 4.555 -7.761 1.00 0.00 H new ATOM 0 HD12 ILE A 48 5.743 3.997 -7.061 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.769 4.727 -8.683 1.00 0.00 H new ATOM 817 N PRO A 49 2.453 9.198 -7.101 1.00 0.00 N ATOM 818 CA PRO A 49 1.045 9.609 -7.165 1.00 0.00 C ATOM 819 C PRO A 49 0.094 8.426 -7.349 1.00 0.00 C ATOM 820 O PRO A 49 0.395 7.477 -8.073 1.00 0.00 O ATOM 821 CB PRO A 49 0.995 10.529 -8.389 1.00 0.00 C ATOM 822 CG PRO A 49 2.389 11.026 -8.546 1.00 0.00 C ATOM 823 CD PRO A 49 3.275 9.895 -8.107 1.00 0.00 C ATOM 0 HA PRO A 49 0.723 10.088 -6.240 1.00 0.00 H new ATOM 0 HB2 PRO A 49 0.665 9.989 -9.277 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.296 11.352 -8.238 1.00 0.00 H new ATOM 0 HG2 PRO A 49 2.592 11.303 -9.580 1.00 0.00 H new ATOM 0 HG3 PRO A 49 2.559 11.915 -7.938 1.00 0.00 H new ATOM 0 HD2 PRO A 49 3.535 9.240 -8.939 1.00 0.00 H new ATOM 0 HD3 PRO A 49 4.211 10.258 -7.682 1.00 0.00 H new ATOM 831 N LEU A 50 -1.065 8.506 -6.701 1.00 0.00 N ATOM 832 CA LEU A 50 -2.057 7.428 -6.734 1.00 0.00 C ATOM 833 C LEU A 50 -2.541 7.140 -8.150 1.00 0.00 C ATOM 834 O LEU A 50 -2.936 6.020 -8.462 1.00 0.00 O ATOM 835 CB LEU A 50 -3.256 7.789 -5.858 1.00 0.00 C ATOM 836 CG LEU A 50 -2.965 7.904 -4.362 1.00 0.00 C ATOM 837 CD1 LEU A 50 -4.182 8.435 -3.626 1.00 0.00 C ATOM 838 CD2 LEU A 50 -2.551 6.553 -3.797 1.00 0.00 C ATOM 0 H LEU A 50 -1.344 9.312 -6.142 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.570 6.531 -6.352 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.665 8.738 -6.205 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.030 7.036 -6.003 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.142 8.605 -4.222 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.959 8.511 -2.562 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.441 9.420 -4.014 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.021 7.755 -3.773 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.347 6.652 -2.731 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.356 5.834 -3.948 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.653 6.205 -4.307 1.00 0.00 H new ATOM 850 N LYS A 51 -2.500 8.151 -9.009 1.00 0.00 N ATOM 851 CA LYS A 51 -3.001 8.008 -10.370 1.00 0.00 C ATOM 852 C LYS A 51 -1.976 7.290 -11.249 1.00 0.00 C ATOM 853 O LYS A 51 -2.189 7.094 -12.448 1.00 0.00 O ATOM 854 CB LYS A 51 -3.348 9.376 -10.962 1.00 0.00 C ATOM 855 CG LYS A 51 -4.549 9.333 -11.893 1.00 0.00 C ATOM 856 CD LYS A 51 -5.819 8.998 -11.125 1.00 0.00 C ATOM 857 CE LYS A 51 -6.970 8.659 -12.057 1.00 0.00 C ATOM 858 NZ LYS A 51 -7.375 9.805 -12.916 1.00 0.00 N ATOM 0 H LYS A 51 -2.127 9.074 -8.789 1.00 0.00 H new ATOM 0 HA LYS A 51 -3.909 7.406 -10.338 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.549 10.076 -10.151 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -2.486 9.759 -11.508 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -4.663 10.296 -12.390 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -4.384 8.589 -12.672 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -5.630 8.155 -10.460 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -6.097 9.844 -10.497 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -6.683 7.820 -12.691 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -7.826 8.334 -11.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -8.163 9.517 -13.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -7.676 10.599 -12.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -6.569 10.101 -13.503 1.00 0.00 H new ATOM 872 N LYS A 52 -0.857 6.910 -10.645 1.00 0.00 N ATOM 873 CA LYS A 52 0.165 6.143 -11.335 1.00 0.00 C ATOM 874 C LYS A 52 0.356 4.797 -10.649 1.00 0.00 C ATOM 875 O LYS A 52 1.266 4.038 -10.981 1.00 0.00 O ATOM 876 CB LYS A 52 1.490 6.912 -11.369 1.00 0.00 C ATOM 877 CG LYS A 52 1.421 8.218 -12.145 1.00 0.00 C ATOM 878 CD LYS A 52 2.777 8.902 -12.203 1.00 0.00 C ATOM 879 CE LYS A 52 3.817 8.024 -12.881 1.00 0.00 C ATOM 880 NZ LYS A 52 5.130 8.709 -12.997 1.00 0.00 N ATOM 0 H LYS A 52 -0.636 7.124 -9.672 1.00 0.00 H new ATOM 0 HA LYS A 52 -0.160 5.977 -12.362 1.00 0.00 H new ATOM 0 HB2 LYS A 52 1.803 7.124 -10.347 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.257 6.277 -11.812 1.00 0.00 H new ATOM 0 HG2 LYS A 52 1.067 8.023 -13.157 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.696 8.883 -11.676 1.00 0.00 H new ATOM 0 HD2 LYS A 52 2.687 9.844 -12.743 1.00 0.00 H new ATOM 0 HD3 LYS A 52 3.107 9.144 -11.193 1.00 0.00 H new ATOM 0 HE2 LYS A 52 3.938 7.101 -12.314 1.00 0.00 H new ATOM 0 HE3 LYS A 52 3.464 7.744 -13.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 5.811 8.077 -13.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 5.020 9.577 -13.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 5.479 8.953 -12.048 1.00 0.00 H new ATOM 894 N LEU A 53 -0.516 4.507 -9.695 1.00 0.00 N ATOM 895 CA LEU A 53 -0.445 3.264 -8.949 1.00 0.00 C ATOM 896 C LEU A 53 -1.092 2.140 -9.757 1.00 0.00 C ATOM 897 O LEU A 53 -2.304 2.124 -9.965 1.00 0.00 O ATOM 898 CB LEU A 53 -1.127 3.439 -7.581 1.00 0.00 C ATOM 899 CG LEU A 53 -0.835 2.361 -6.524 1.00 0.00 C ATOM 900 CD1 LEU A 53 -1.603 1.086 -6.814 1.00 0.00 C ATOM 901 CD2 LEU A 53 0.658 2.071 -6.446 1.00 0.00 C ATOM 0 H LEU A 53 -1.283 5.120 -9.420 1.00 0.00 H new ATOM 0 HA LEU A 53 0.597 2.997 -8.774 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.830 4.405 -7.173 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.205 3.478 -7.740 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.166 2.746 -5.559 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.376 0.343 -6.050 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.672 1.296 -6.809 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.313 0.701 -7.792 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.841 1.306 -5.692 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.011 1.718 -7.415 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.192 2.982 -6.175 1.00 0.00 H new ATOM 913 N GLN A 54 -0.267 1.214 -10.224 1.00 0.00 N ATOM 914 CA GLN A 54 -0.736 0.112 -11.053 1.00 0.00 C ATOM 915 C GLN A 54 -0.597 -1.215 -10.313 1.00 0.00 C ATOM 916 O GLN A 54 0.299 -1.373 -9.480 1.00 0.00 O ATOM 917 CB GLN A 54 0.054 0.071 -12.365 1.00 0.00 C ATOM 918 CG GLN A 54 -0.128 1.315 -13.222 1.00 0.00 C ATOM 919 CD GLN A 54 -1.554 1.494 -13.706 1.00 0.00 C ATOM 920 OE1 GLN A 54 -2.240 0.387 -13.957 1.00 0.00 O flip ATOM 921 NE2 GLN A 54 -2.028 2.618 -13.873 1.00 0.00 N flip ATOM 0 H GLN A 54 0.737 1.204 -10.042 1.00 0.00 H new ATOM 0 HA GLN A 54 -1.791 0.271 -11.278 1.00 0.00 H new ATOM 0 HB2 GLN A 54 1.113 -0.053 -12.139 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -0.254 -0.804 -12.938 1.00 0.00 H new ATOM 0 HG2 GLN A 54 0.168 2.193 -12.647 1.00 0.00 H new ATOM 0 HG3 GLN A 54 0.538 1.258 -14.083 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -1.466 3.444 -13.668 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -2.983 2.723 -14.217 1.00 0.00 H new ATOM 930 N PRO A 55 -1.484 -2.186 -10.598 1.00 0.00 N ATOM 931 CA PRO A 55 -1.432 -3.517 -9.985 1.00 0.00 C ATOM 932 C PRO A 55 -0.099 -4.220 -10.230 1.00 0.00 C ATOM 933 O PRO A 55 0.398 -4.943 -9.370 1.00 0.00 O ATOM 934 CB PRO A 55 -2.572 -4.287 -10.662 1.00 0.00 C ATOM 935 CG PRO A 55 -2.930 -3.487 -11.869 1.00 0.00 C ATOM 936 CD PRO A 55 -2.618 -2.061 -11.526 1.00 0.00 C ATOM 0 HA PRO A 55 -1.532 -3.459 -8.901 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -2.257 -5.293 -10.937 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -3.426 -4.392 -9.993 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -2.358 -3.814 -12.738 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -3.984 -3.607 -12.118 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -2.354 -1.481 -12.411 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -3.468 -1.562 -11.060 1.00 0.00 H new ATOM 944 N ALA A 56 0.484 -3.989 -11.404 1.00 0.00 N ATOM 945 CA ALA A 56 1.765 -4.594 -11.749 1.00 0.00 C ATOM 946 C ALA A 56 2.876 -4.066 -10.847 1.00 0.00 C ATOM 947 O ALA A 56 3.842 -4.772 -10.552 1.00 0.00 O ATOM 948 CB ALA A 56 2.103 -4.330 -13.209 1.00 0.00 C ATOM 0 H ALA A 56 0.090 -3.389 -12.129 1.00 0.00 H new ATOM 0 HA ALA A 56 1.682 -5.670 -11.598 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.062 -4.789 -13.449 1.00 0.00 H new ATOM 0 HB2 ALA A 56 1.327 -4.757 -13.845 1.00 0.00 H new ATOM 0 HB3 ALA A 56 2.162 -3.255 -13.380 1.00 0.00 H new ATOM 954 N ASP A 57 2.716 -2.830 -10.392 1.00 0.00 N ATOM 955 CA ASP A 57 3.715 -2.188 -9.549 1.00 0.00 C ATOM 956 C ASP A 57 3.647 -2.761 -8.138 1.00 0.00 C ATOM 957 O ASP A 57 4.670 -2.983 -7.490 1.00 0.00 O ATOM 958 CB ASP A 57 3.491 -0.672 -9.518 1.00 0.00 C ATOM 959 CG ASP A 57 4.786 0.102 -9.366 1.00 0.00 C ATOM 960 OD1 ASP A 57 5.559 -0.191 -8.437 1.00 0.00 O ATOM 961 OD2 ASP A 57 5.041 0.994 -10.206 1.00 0.00 O ATOM 0 H ASP A 57 1.901 -2.251 -10.594 1.00 0.00 H new ATOM 0 HA ASP A 57 4.704 -2.382 -9.963 1.00 0.00 H new ATOM 0 HB2 ASP A 57 2.992 -0.363 -10.436 1.00 0.00 H new ATOM 0 HB3 ASP A 57 2.823 -0.423 -8.693 1.00 0.00 H new ATOM 966 N ILE A 58 2.428 -3.021 -7.677 1.00 0.00 N ATOM 967 CA ILE A 58 2.219 -3.644 -6.377 1.00 0.00 C ATOM 968 C ILE A 58 2.757 -5.073 -6.388 1.00 0.00 C ATOM 969 O ILE A 58 3.317 -5.550 -5.399 1.00 0.00 O ATOM 970 CB ILE A 58 0.727 -3.658 -5.987 1.00 0.00 C ATOM 971 CG1 ILE A 58 0.170 -2.233 -5.953 1.00 0.00 C ATOM 972 CG2 ILE A 58 0.529 -4.339 -4.638 1.00 0.00 C ATOM 973 CD1 ILE A 58 -1.295 -2.166 -5.581 1.00 0.00 C ATOM 0 H ILE A 58 1.570 -2.809 -8.186 1.00 0.00 H new ATOM 0 HA ILE A 58 2.758 -3.052 -5.637 1.00 0.00 H new ATOM 0 HB ILE A 58 0.182 -4.226 -6.741 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.745 -1.644 -5.239 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.310 -1.773 -6.931 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.530 -4.338 -4.382 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.888 -5.367 -4.693 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.088 -3.800 -3.873 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.622 -1.126 -5.577 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.881 -2.728 -6.308 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.439 -2.596 -4.590 1.00 0.00 H new ATOM 985 N GLN A 59 2.595 -5.748 -7.521 1.00 0.00 N ATOM 986 CA GLN A 59 3.138 -7.087 -7.695 1.00 0.00 C ATOM 987 C GLN A 59 4.662 -7.036 -7.657 1.00 0.00 C ATOM 988 O GLN A 59 5.314 -7.929 -7.114 1.00 0.00 O ATOM 989 CB GLN A 59 2.647 -7.690 -9.014 1.00 0.00 C ATOM 990 CG GLN A 59 3.119 -9.116 -9.261 1.00 0.00 C ATOM 991 CD GLN A 59 2.538 -9.699 -10.534 1.00 0.00 C ATOM 992 OE1 GLN A 59 3.110 -9.555 -11.614 1.00 0.00 O ATOM 993 NE2 GLN A 59 1.405 -10.373 -10.415 1.00 0.00 N ATOM 0 H GLN A 59 2.092 -5.388 -8.332 1.00 0.00 H new ATOM 0 HA GLN A 59 2.791 -7.723 -6.880 1.00 0.00 H new ATOM 0 HB2 GLN A 59 1.557 -7.673 -9.025 1.00 0.00 H new ATOM 0 HB3 GLN A 59 2.984 -7.060 -9.837 1.00 0.00 H new ATOM 0 HG2 GLN A 59 4.207 -9.132 -9.320 1.00 0.00 H new ATOM 0 HG3 GLN A 59 2.837 -9.742 -8.415 1.00 0.00 H new ATOM 0 HE21 GLN A 59 0.962 -10.469 -9.501 1.00 0.00 H new ATOM 0 HE22 GLN A 59 0.974 -10.796 -11.237 1.00 0.00 H new ATOM 1002 N ARG A 60 5.216 -5.968 -8.224 1.00 0.00 N ATOM 1003 CA ARG A 60 6.655 -5.729 -8.194 1.00 0.00 C ATOM 1004 C ARG A 60 7.139 -5.547 -6.756 1.00 0.00 C ATOM 1005 O ARG A 60 8.191 -6.064 -6.384 1.00 0.00 O ATOM 1006 CB ARG A 60 7.004 -4.493 -9.028 1.00 0.00 C ATOM 1007 CG ARG A 60 8.486 -4.156 -9.038 1.00 0.00 C ATOM 1008 CD ARG A 60 8.779 -2.919 -9.874 1.00 0.00 C ATOM 1009 NE ARG A 60 8.135 -1.716 -9.339 1.00 0.00 N ATOM 1010 CZ ARG A 60 8.763 -0.558 -9.148 1.00 0.00 C ATOM 1011 NH1 ARG A 60 10.065 -0.455 -9.382 1.00 0.00 N ATOM 1012 NH2 ARG A 60 8.086 0.493 -8.710 1.00 0.00 N ATOM 0 H ARG A 60 4.684 -5.249 -8.714 1.00 0.00 H new ATOM 0 HA ARG A 60 7.158 -6.597 -8.622 1.00 0.00 H new ATOM 0 HB2 ARG A 60 6.671 -4.653 -10.053 1.00 0.00 H new ATOM 0 HB3 ARG A 60 6.449 -3.638 -8.642 1.00 0.00 H new ATOM 0 HG2 ARG A 60 8.829 -3.993 -8.016 1.00 0.00 H new ATOM 0 HG3 ARG A 60 9.049 -5.002 -9.432 1.00 0.00 H new ATOM 0 HD2 ARG A 60 9.857 -2.761 -9.919 1.00 0.00 H new ATOM 0 HD3 ARG A 60 8.439 -3.086 -10.896 1.00 0.00 H new ATOM 0 HE ARG A 60 7.145 -1.769 -9.098 1.00 0.00 H new ATOM 0 HH11 ARG A 60 10.590 -1.266 -9.710 1.00 0.00 H new ATOM 0 HH12 ARG A 60 10.541 0.435 -9.234 1.00 0.00 H new ATOM 0 HH21 ARG A 60 7.087 0.413 -8.520 1.00 0.00 H new ATOM 0 HH22 ARG A 60 8.564 1.382 -8.562 1.00 0.00 H new ATOM 1026 N LEU A 61 6.361 -4.805 -5.966 1.00 0.00 N ATOM 1027 CA LEU A 61 6.635 -4.612 -4.538 1.00 0.00 C ATOM 1028 C LEU A 61 6.896 -5.963 -3.880 1.00 0.00 C ATOM 1029 O LEU A 61 7.982 -6.212 -3.347 1.00 0.00 O ATOM 1030 CB LEU A 61 5.423 -3.922 -3.874 1.00 0.00 C ATOM 1031 CG LEU A 61 5.602 -3.351 -2.451 1.00 0.00 C ATOM 1032 CD1 LEU A 61 4.335 -2.631 -2.023 1.00 0.00 C ATOM 1033 CD2 LEU A 61 5.937 -4.431 -1.432 1.00 0.00 C ATOM 0 H LEU A 61 5.525 -4.322 -6.295 1.00 0.00 H new ATOM 0 HA LEU A 61 7.517 -3.983 -4.414 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.107 -3.106 -4.524 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.605 -4.641 -3.844 1.00 0.00 H new ATOM 0 HG LEU A 61 6.441 -2.656 -2.485 1.00 0.00 H new ATOM 0 HD11 LEU A 61 4.466 -2.230 -1.018 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.129 -1.815 -2.715 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.499 -3.331 -2.028 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.053 -3.979 -0.447 1.00 0.00 H new ATOM 0 HD22 LEU A 61 5.132 -5.165 -1.402 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.867 -4.924 -1.717 1.00 0.00 H new ATOM 1045 N TYR A 62 5.889 -6.827 -3.939 1.00 0.00 N ATOM 1046 CA TYR A 62 5.962 -8.140 -3.316 1.00 0.00 C ATOM 1047 C TYR A 62 7.142 -8.942 -3.855 1.00 0.00 C ATOM 1048 O TYR A 62 7.945 -9.461 -3.087 1.00 0.00 O ATOM 1049 CB TYR A 62 4.667 -8.925 -3.551 1.00 0.00 C ATOM 1050 CG TYR A 62 3.423 -8.245 -3.024 1.00 0.00 C ATOM 1051 CD1 TYR A 62 3.433 -7.560 -1.814 1.00 0.00 C ATOM 1052 CD2 TYR A 62 2.233 -8.290 -3.741 1.00 0.00 C ATOM 1053 CE1 TYR A 62 2.292 -6.943 -1.333 1.00 0.00 C ATOM 1054 CE2 TYR A 62 1.090 -7.676 -3.267 1.00 0.00 C ATOM 1055 CZ TYR A 62 1.124 -7.005 -2.065 1.00 0.00 C ATOM 1056 OH TYR A 62 -0.015 -6.395 -1.592 1.00 0.00 O ATOM 0 H TYR A 62 5.007 -6.638 -4.416 1.00 0.00 H new ATOM 0 HA TYR A 62 6.101 -7.985 -2.246 1.00 0.00 H new ATOM 0 HB2 TYR A 62 4.548 -9.095 -4.621 1.00 0.00 H new ATOM 0 HB3 TYR A 62 4.759 -9.904 -3.081 1.00 0.00 H new ATOM 0 HD1 TYR A 62 4.347 -7.509 -1.240 1.00 0.00 H new ATOM 0 HD2 TYR A 62 2.202 -8.814 -4.685 1.00 0.00 H new ATOM 0 HE1 TYR A 62 2.315 -6.416 -0.391 1.00 0.00 H new ATOM 0 HE2 TYR A 62 0.174 -7.722 -3.837 1.00 0.00 H new ATOM 0 HH TYR A 62 -0.569 -6.107 -2.347 1.00 0.00 H new ATOM 1066 N ALA A 63 7.251 -9.016 -5.177 1.00 0.00 N ATOM 1067 CA ALA A 63 8.252 -9.860 -5.823 1.00 0.00 C ATOM 1068 C ALA A 63 9.680 -9.404 -5.522 1.00 0.00 C ATOM 1069 O ALA A 63 10.533 -10.217 -5.148 1.00 0.00 O ATOM 1070 CB ALA A 63 8.016 -9.893 -7.324 1.00 0.00 C ATOM 0 H ALA A 63 6.656 -8.500 -5.825 1.00 0.00 H new ATOM 0 HA ALA A 63 8.143 -10.864 -5.414 1.00 0.00 H new ATOM 0 HB1 ALA A 63 8.768 -10.525 -7.797 1.00 0.00 H new ATOM 0 HB2 ALA A 63 7.024 -10.295 -7.528 1.00 0.00 H new ATOM 0 HB3 ALA A 63 8.087 -8.882 -7.726 1.00 0.00 H new ATOM 1076 N SER A 64 9.933 -8.110 -5.666 1.00 0.00 N ATOM 1077 CA SER A 64 11.281 -7.571 -5.528 1.00 0.00 C ATOM 1078 C SER A 64 11.805 -7.751 -4.104 1.00 0.00 C ATOM 1079 O SER A 64 12.994 -8.003 -3.900 1.00 0.00 O ATOM 1080 CB SER A 64 11.303 -6.090 -5.921 1.00 0.00 C ATOM 1081 OG SER A 64 12.631 -5.592 -5.978 1.00 0.00 O ATOM 0 H SER A 64 9.221 -7.412 -5.879 1.00 0.00 H new ATOM 0 HA SER A 64 11.937 -8.125 -6.200 1.00 0.00 H new ATOM 0 HB2 SER A 64 10.822 -5.962 -6.891 1.00 0.00 H new ATOM 0 HB3 SER A 64 10.726 -5.511 -5.200 1.00 0.00 H new ATOM 0 HG SER A 64 12.615 -4.646 -6.232 1.00 0.00 H new ATOM 1087 N LYS A 65 10.924 -7.624 -3.119 1.00 0.00 N ATOM 1088 CA LYS A 65 11.329 -7.800 -1.730 1.00 0.00 C ATOM 1089 C LYS A 65 11.252 -9.272 -1.323 1.00 0.00 C ATOM 1090 O LYS A 65 11.914 -9.700 -0.378 1.00 0.00 O ATOM 1091 CB LYS A 65 10.481 -6.926 -0.801 1.00 0.00 C ATOM 1092 CG LYS A 65 10.622 -5.433 -1.079 1.00 0.00 C ATOM 1093 CD LYS A 65 12.074 -4.980 -0.997 1.00 0.00 C ATOM 1094 CE LYS A 65 12.234 -3.508 -1.363 1.00 0.00 C ATOM 1095 NZ LYS A 65 11.571 -2.605 -0.384 1.00 0.00 N ATOM 0 H LYS A 65 9.937 -7.403 -3.253 1.00 0.00 H new ATOM 0 HA LYS A 65 12.367 -7.481 -1.635 1.00 0.00 H new ATOM 0 HB2 LYS A 65 9.434 -7.210 -0.903 1.00 0.00 H new ATOM 0 HB3 LYS A 65 10.766 -7.124 0.232 1.00 0.00 H new ATOM 0 HG2 LYS A 65 10.226 -5.208 -2.069 1.00 0.00 H new ATOM 0 HG3 LYS A 65 10.024 -4.871 -0.361 1.00 0.00 H new ATOM 0 HD2 LYS A 65 12.449 -5.145 0.013 1.00 0.00 H new ATOM 0 HD3 LYS A 65 12.682 -5.588 -1.666 1.00 0.00 H new ATOM 0 HE2 LYS A 65 13.295 -3.263 -1.418 1.00 0.00 H new ATOM 0 HE3 LYS A 65 11.815 -3.335 -2.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 11.765 -1.615 -0.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 10.545 -2.772 -0.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 11.940 -2.796 0.569 1.00 0.00 H new ATOM 1109 N LEU A 66 10.465 -10.052 -2.064 1.00 0.00 N ATOM 1110 CA LEU A 66 10.357 -11.491 -1.829 1.00 0.00 C ATOM 1111 C LEU A 66 11.683 -12.173 -2.134 1.00 0.00 C ATOM 1112 O LEU A 66 12.001 -13.216 -1.561 1.00 0.00 O ATOM 1113 CB LEU A 66 9.243 -12.096 -2.690 1.00 0.00 C ATOM 1114 CG LEU A 66 8.998 -13.597 -2.499 1.00 0.00 C ATOM 1115 CD1 LEU A 66 8.606 -13.901 -1.062 1.00 0.00 C ATOM 1116 CD2 LEU A 66 7.918 -14.088 -3.450 1.00 0.00 C ATOM 0 H LEU A 66 9.891 -9.709 -2.835 1.00 0.00 H new ATOM 0 HA LEU A 66 10.109 -11.652 -0.780 1.00 0.00 H new ATOM 0 HB2 LEU A 66 8.315 -11.565 -2.477 1.00 0.00 H new ATOM 0 HB3 LEU A 66 9.480 -11.916 -3.738 1.00 0.00 H new ATOM 0 HG LEU A 66 9.927 -14.121 -2.723 1.00 0.00 H new ATOM 0 HD11 LEU A 66 8.437 -14.972 -0.950 1.00 0.00 H new ATOM 0 HD12 LEU A 66 9.407 -13.588 -0.392 1.00 0.00 H new ATOM 0 HD13 LEU A 66 7.692 -13.361 -0.812 1.00 0.00 H new ATOM 0 HD21 LEU A 66 7.758 -15.156 -3.299 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.990 -13.551 -3.255 1.00 0.00 H new ATOM 0 HD23 LEU A 66 8.231 -13.910 -4.479 1.00 0.00 H new ATOM 1128 N GLU A 67 12.455 -11.568 -3.034 1.00 0.00 N ATOM 1129 CA GLU A 67 13.793 -12.056 -3.366 1.00 0.00 C ATOM 1130 C GLU A 67 14.657 -12.202 -2.113 1.00 0.00 C ATOM 1131 O GLU A 67 15.510 -13.086 -2.039 1.00 0.00 O ATOM 1132 CB GLU A 67 14.479 -11.100 -4.344 1.00 0.00 C ATOM 1133 CG GLU A 67 13.765 -10.964 -5.681 1.00 0.00 C ATOM 1134 CD GLU A 67 13.771 -12.248 -6.484 1.00 0.00 C ATOM 1135 OE1 GLU A 67 12.899 -13.109 -6.247 1.00 0.00 O ATOM 1136 OE2 GLU A 67 14.638 -12.399 -7.369 1.00 0.00 O ATOM 0 H GLU A 67 12.175 -10.734 -3.550 1.00 0.00 H new ATOM 0 HA GLU A 67 13.681 -13.037 -3.829 1.00 0.00 H new ATOM 0 HB2 GLU A 67 14.553 -10.116 -3.882 1.00 0.00 H new ATOM 0 HB3 GLU A 67 15.497 -11.447 -4.521 1.00 0.00 H new ATOM 0 HG2 GLU A 67 12.734 -10.655 -5.507 1.00 0.00 H new ATOM 0 HG3 GLU A 67 14.241 -10.175 -6.263 1.00 0.00 H new ATOM 1143 N SER A 68 14.418 -11.347 -1.124 1.00 0.00 N ATOM 1144 CA SER A 68 15.207 -11.359 0.102 1.00 0.00 C ATOM 1145 C SER A 68 14.738 -12.469 1.040 1.00 0.00 C ATOM 1146 O SER A 68 15.483 -12.916 1.910 1.00 0.00 O ATOM 1147 CB SER A 68 15.117 -10.001 0.801 1.00 0.00 C ATOM 1148 OG SER A 68 15.978 -9.938 1.926 1.00 0.00 O ATOM 0 H SER A 68 13.685 -10.638 -1.148 1.00 0.00 H new ATOM 0 HA SER A 68 16.247 -11.553 -0.162 1.00 0.00 H new ATOM 0 HB2 SER A 68 15.377 -9.210 0.097 1.00 0.00 H new ATOM 0 HB3 SER A 68 14.090 -9.821 1.117 1.00 0.00 H new ATOM 0 HG SER A 68 15.899 -9.058 2.350 1.00 0.00 H new ATOM 1154 N GLY A 69 13.504 -12.915 0.851 1.00 0.00 N ATOM 1155 CA GLY A 69 12.966 -13.971 1.682 1.00 0.00 C ATOM 1156 C GLY A 69 11.817 -13.500 2.550 1.00 0.00 C ATOM 1157 O GLY A 69 11.870 -13.610 3.775 1.00 0.00 O ATOM 0 H GLY A 69 12.866 -12.564 0.137 1.00 0.00 H new ATOM 0 HA2 GLY A 69 12.626 -14.790 1.048 1.00 0.00 H new ATOM 0 HA3 GLY A 69 13.758 -14.368 2.317 1.00 0.00 H new ATOM 1161 N LEU A 70 10.787 -12.951 1.919 1.00 0.00 N ATOM 1162 CA LEU A 70 9.587 -12.554 2.640 1.00 0.00 C ATOM 1163 C LEU A 70 8.730 -13.772 2.948 1.00 0.00 C ATOM 1164 O LEU A 70 8.469 -14.591 2.068 1.00 0.00 O ATOM 1165 CB LEU A 70 8.756 -11.556 1.829 1.00 0.00 C ATOM 1166 CG LEU A 70 9.338 -10.148 1.697 1.00 0.00 C ATOM 1167 CD1 LEU A 70 8.421 -9.285 0.844 1.00 0.00 C ATOM 1168 CD2 LEU A 70 9.537 -9.519 3.068 1.00 0.00 C ATOM 0 H LEU A 70 10.759 -12.772 0.915 1.00 0.00 H new ATOM 0 HA LEU A 70 9.905 -12.078 3.568 1.00 0.00 H new ATOM 0 HB2 LEU A 70 8.612 -11.963 0.828 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.770 -11.478 2.287 1.00 0.00 H new ATOM 0 HG LEU A 70 10.311 -10.217 1.210 1.00 0.00 H new ATOM 0 HD11 LEU A 70 8.843 -8.284 0.755 1.00 0.00 H new ATOM 0 HD12 LEU A 70 8.324 -9.727 -0.147 1.00 0.00 H new ATOM 0 HD13 LEU A 70 7.439 -9.225 1.312 1.00 0.00 H new ATOM 0 HD21 LEU A 70 9.952 -8.518 2.952 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.578 -9.457 3.583 1.00 0.00 H new ATOM 0 HD23 LEU A 70 10.224 -10.131 3.653 1.00 0.00 H new ATOM 1180 N SER A 71 8.310 -13.901 4.192 1.00 0.00 N ATOM 1181 CA SER A 71 7.359 -14.933 4.561 1.00 0.00 C ATOM 1182 C SER A 71 6.005 -14.614 3.926 1.00 0.00 C ATOM 1183 O SER A 71 5.592 -13.451 3.900 1.00 0.00 O ATOM 1184 CB SER A 71 7.229 -14.995 6.084 1.00 0.00 C ATOM 1185 OG SER A 71 8.503 -15.005 6.705 1.00 0.00 O ATOM 0 H SER A 71 8.611 -13.305 4.963 1.00 0.00 H new ATOM 0 HA SER A 71 7.706 -15.902 4.202 1.00 0.00 H new ATOM 0 HB2 SER A 71 6.655 -14.139 6.438 1.00 0.00 H new ATOM 0 HB3 SER A 71 6.675 -15.890 6.369 1.00 0.00 H new ATOM 0 HG SER A 71 8.392 -15.043 7.678 1.00 0.00 H new ATOM 1191 N PRO A 72 5.301 -15.629 3.398 1.00 0.00 N ATOM 1192 CA PRO A 72 3.986 -15.442 2.766 1.00 0.00 C ATOM 1193 C PRO A 72 2.986 -14.790 3.718 1.00 0.00 C ATOM 1194 O PRO A 72 2.067 -14.091 3.294 1.00 0.00 O ATOM 1195 CB PRO A 72 3.541 -16.869 2.410 1.00 0.00 C ATOM 1196 CG PRO A 72 4.428 -17.769 3.203 1.00 0.00 C ATOM 1197 CD PRO A 72 5.726 -17.034 3.365 1.00 0.00 C ATOM 0 HA PRO A 72 4.039 -14.780 1.901 1.00 0.00 H new ATOM 0 HB2 PRO A 72 2.493 -17.028 2.662 1.00 0.00 H new ATOM 0 HB3 PRO A 72 3.644 -17.058 1.341 1.00 0.00 H new ATOM 0 HG2 PRO A 72 3.985 -17.997 4.173 1.00 0.00 H new ATOM 0 HG3 PRO A 72 4.579 -18.719 2.690 1.00 0.00 H new ATOM 0 HD2 PRO A 72 6.243 -17.322 4.281 1.00 0.00 H new ATOM 0 HD3 PRO A 72 6.409 -17.231 2.538 1.00 0.00 H new ATOM 1205 N THR A 73 3.194 -15.015 5.009 1.00 0.00 N ATOM 1206 CA THR A 73 2.365 -14.424 6.045 1.00 0.00 C ATOM 1207 C THR A 73 2.480 -12.901 6.035 1.00 0.00 C ATOM 1208 O THR A 73 1.480 -12.191 6.162 1.00 0.00 O ATOM 1209 CB THR A 73 2.778 -14.964 7.424 1.00 0.00 C ATOM 1210 OG1 THR A 73 4.208 -15.011 7.504 1.00 0.00 O ATOM 1211 CG2 THR A 73 2.204 -16.354 7.666 1.00 0.00 C ATOM 0 H THR A 73 3.941 -15.611 5.364 1.00 0.00 H new ATOM 0 HA THR A 73 1.328 -14.695 5.844 1.00 0.00 H new ATOM 0 HB THR A 73 2.382 -14.297 8.190 1.00 0.00 H new ATOM 0 HG1 THR A 73 4.475 -15.353 8.383 1.00 0.00 H new ATOM 0 HG21 THR A 73 2.513 -16.709 8.649 1.00 0.00 H new ATOM 0 HG22 THR A 73 1.116 -16.311 7.621 1.00 0.00 H new ATOM 0 HG23 THR A 73 2.572 -17.038 6.901 1.00 0.00 H new ATOM 1219 N ARG A 74 3.705 -12.408 5.859 1.00 0.00 N ATOM 1220 CA ARG A 74 3.947 -10.973 5.803 1.00 0.00 C ATOM 1221 C ARG A 74 3.285 -10.396 4.565 1.00 0.00 C ATOM 1222 O ARG A 74 2.560 -9.410 4.639 1.00 0.00 O ATOM 1223 CB ARG A 74 5.444 -10.654 5.741 1.00 0.00 C ATOM 1224 CG ARG A 74 6.305 -11.399 6.747 1.00 0.00 C ATOM 1225 CD ARG A 74 7.752 -10.947 6.640 1.00 0.00 C ATOM 1226 NE ARG A 74 8.698 -11.982 7.045 1.00 0.00 N ATOM 1227 CZ ARG A 74 9.951 -12.051 6.595 1.00 0.00 C ATOM 1228 NH1 ARG A 74 10.430 -11.092 5.813 1.00 0.00 N ATOM 1229 NH2 ARG A 74 10.727 -13.064 6.941 1.00 0.00 N ATOM 0 H ARG A 74 4.541 -12.982 5.753 1.00 0.00 H new ATOM 0 HA ARG A 74 3.531 -10.533 6.709 1.00 0.00 H new ATOM 0 HB2 ARG A 74 5.806 -10.880 4.738 1.00 0.00 H new ATOM 0 HB3 ARG A 74 5.578 -9.583 5.894 1.00 0.00 H new ATOM 0 HG2 ARG A 74 5.935 -11.220 7.756 1.00 0.00 H new ATOM 0 HG3 ARG A 74 6.238 -12.472 6.569 1.00 0.00 H new ATOM 0 HD2 ARG A 74 7.961 -10.652 5.612 1.00 0.00 H new ATOM 0 HD3 ARG A 74 7.899 -10.063 7.261 1.00 0.00 H new ATOM 0 HE ARG A 74 8.384 -12.691 7.708 1.00 0.00 H new ATOM 0 HH11 ARG A 74 9.839 -10.301 5.556 1.00 0.00 H new ATOM 0 HH12 ARG A 74 11.389 -11.146 5.469 1.00 0.00 H new ATOM 0 HH21 ARG A 74 10.367 -13.796 7.554 1.00 0.00 H new ATOM 0 HH22 ARG A 74 11.685 -13.114 6.595 1.00 0.00 H new ATOM 1243 N VAL A 75 3.547 -11.039 3.428 1.00 0.00 N ATOM 1244 CA VAL A 75 3.019 -10.599 2.142 1.00 0.00 C ATOM 1245 C VAL A 75 1.495 -10.538 2.175 1.00 0.00 C ATOM 1246 O VAL A 75 0.893 -9.576 1.700 1.00 0.00 O ATOM 1247 CB VAL A 75 3.469 -11.535 0.999 1.00 0.00 C ATOM 1248 CG1 VAL A 75 2.925 -11.060 -0.342 1.00 0.00 C ATOM 1249 CG2 VAL A 75 4.988 -11.636 0.956 1.00 0.00 C ATOM 0 H VAL A 75 4.129 -11.875 3.374 1.00 0.00 H new ATOM 0 HA VAL A 75 3.416 -9.601 1.954 1.00 0.00 H new ATOM 0 HB VAL A 75 3.063 -12.527 1.195 1.00 0.00 H new ATOM 0 HG11 VAL A 75 3.257 -11.737 -1.130 1.00 0.00 H new ATOM 0 HG12 VAL A 75 1.836 -11.048 -0.309 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.293 -10.055 -0.548 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.286 -12.300 0.144 1.00 0.00 H new ATOM 0 HG22 VAL A 75 5.414 -10.646 0.790 1.00 0.00 H new ATOM 0 HG23 VAL A 75 5.353 -12.034 1.903 1.00 0.00 H new ATOM 1259 N ARG A 76 0.883 -11.571 2.745 1.00 0.00 N ATOM 1260 CA ARG A 76 -0.566 -11.625 2.890 1.00 0.00 C ATOM 1261 C ARG A 76 -1.065 -10.468 3.751 1.00 0.00 C ATOM 1262 O ARG A 76 -2.074 -9.845 3.437 1.00 0.00 O ATOM 1263 CB ARG A 76 -0.986 -12.967 3.499 1.00 0.00 C ATOM 1264 CG ARG A 76 -2.476 -13.075 3.790 1.00 0.00 C ATOM 1265 CD ARG A 76 -2.839 -14.450 4.325 1.00 0.00 C ATOM 1266 NE ARG A 76 -4.231 -14.512 4.770 1.00 0.00 N ATOM 1267 CZ ARG A 76 -5.099 -15.456 4.400 1.00 0.00 C ATOM 1268 NH1 ARG A 76 -4.721 -16.435 3.587 1.00 0.00 N ATOM 1269 NH2 ARG A 76 -6.343 -15.427 4.864 1.00 0.00 N ATOM 0 H ARG A 76 1.372 -12.386 3.116 1.00 0.00 H new ATOM 0 HA ARG A 76 -1.017 -11.533 1.902 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -0.700 -13.769 2.818 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -0.433 -13.123 4.425 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.763 -12.314 4.515 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -3.041 -12.877 2.879 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -2.672 -15.197 3.549 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -2.181 -14.702 5.156 1.00 0.00 H new ATOM 0 HE ARG A 76 -4.560 -13.785 5.405 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -3.762 -16.469 3.241 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -5.390 -17.153 3.308 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -6.633 -14.685 5.501 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -7.009 -16.147 4.583 1.00 0.00 H new ATOM 1283 N TYR A 77 -0.340 -10.178 4.825 1.00 0.00 N ATOM 1284 CA TYR A 77 -0.701 -9.087 5.721 1.00 0.00 C ATOM 1285 C TYR A 77 -0.617 -7.748 4.983 1.00 0.00 C ATOM 1286 O TYR A 77 -1.524 -6.918 5.083 1.00 0.00 O ATOM 1287 CB TYR A 77 0.227 -9.081 6.939 1.00 0.00 C ATOM 1288 CG TYR A 77 -0.352 -8.402 8.161 1.00 0.00 C ATOM 1289 CD1 TYR A 77 -0.277 -7.025 8.325 1.00 0.00 C ATOM 1290 CD2 TYR A 77 -0.963 -9.148 9.163 1.00 0.00 C ATOM 1291 CE1 TYR A 77 -0.793 -6.410 9.450 1.00 0.00 C ATOM 1292 CE2 TYR A 77 -1.484 -8.541 10.289 1.00 0.00 C ATOM 1293 CZ TYR A 77 -1.396 -7.171 10.427 1.00 0.00 C ATOM 1294 OH TYR A 77 -1.904 -6.560 11.552 1.00 0.00 O ATOM 0 H TYR A 77 0.503 -10.684 5.096 1.00 0.00 H new ATOM 0 HA TYR A 77 -1.726 -9.233 6.061 1.00 0.00 H new ATOM 0 HB2 TYR A 77 0.478 -10.110 7.195 1.00 0.00 H new ATOM 0 HB3 TYR A 77 1.158 -8.584 6.669 1.00 0.00 H new ATOM 0 HD1 TYR A 77 0.193 -6.424 7.560 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -1.031 -10.221 9.059 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -0.724 -5.338 9.563 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -1.957 -9.135 11.057 1.00 0.00 H new ATOM 0 HH TYR A 77 -2.297 -7.236 12.142 1.00 0.00 H new ATOM 1304 N ILE A 78 0.470 -7.557 4.232 1.00 0.00 N ATOM 1305 CA ILE A 78 0.656 -6.352 3.423 1.00 0.00 C ATOM 1306 C ILE A 78 -0.466 -6.236 2.395 1.00 0.00 C ATOM 1307 O ILE A 78 -0.987 -5.152 2.137 1.00 0.00 O ATOM 1308 CB ILE A 78 2.022 -6.371 2.683 1.00 0.00 C ATOM 1309 CG1 ILE A 78 3.164 -6.581 3.680 1.00 0.00 C ATOM 1310 CG2 ILE A 78 2.240 -5.072 1.905 1.00 0.00 C ATOM 1311 CD1 ILE A 78 4.507 -6.815 3.021 1.00 0.00 C ATOM 0 H ILE A 78 1.238 -8.225 4.168 1.00 0.00 H new ATOM 0 HA ILE A 78 0.637 -5.495 4.096 1.00 0.00 H new ATOM 0 HB ILE A 78 2.011 -7.199 1.975 1.00 0.00 H new ATOM 0 HG12 ILE A 78 3.234 -5.708 4.329 1.00 0.00 H new ATOM 0 HG13 ILE A 78 2.927 -7.433 4.317 1.00 0.00 H new ATOM 0 HG21 ILE A 78 3.203 -5.110 1.396 1.00 0.00 H new ATOM 0 HG22 ILE A 78 1.445 -4.951 1.169 1.00 0.00 H new ATOM 0 HG23 ILE A 78 2.227 -4.228 2.595 1.00 0.00 H new ATOM 0 HD11 ILE A 78 5.269 -6.956 3.788 1.00 0.00 H new ATOM 0 HD12 ILE A 78 4.454 -7.705 2.394 1.00 0.00 H new ATOM 0 HD13 ILE A 78 4.766 -5.953 2.406 1.00 0.00 H new ATOM 1323 N HIS A 79 -0.845 -7.373 1.832 1.00 0.00 N ATOM 1324 CA HIS A 79 -1.882 -7.427 0.812 1.00 0.00 C ATOM 1325 C HIS A 79 -3.238 -7.017 1.389 1.00 0.00 C ATOM 1326 O HIS A 79 -4.029 -6.346 0.726 1.00 0.00 O ATOM 1327 CB HIS A 79 -1.953 -8.842 0.231 1.00 0.00 C ATOM 1328 CG HIS A 79 -2.688 -8.938 -1.070 1.00 0.00 C ATOM 1329 ND1 HIS A 79 -3.899 -9.578 -1.205 1.00 0.00 N ATOM 1330 CD2 HIS A 79 -2.357 -8.498 -2.305 1.00 0.00 C ATOM 1331 CE1 HIS A 79 -4.281 -9.527 -2.468 1.00 0.00 C ATOM 1332 NE2 HIS A 79 -3.362 -8.877 -3.154 1.00 0.00 N ATOM 0 H HIS A 79 -0.445 -8.281 2.068 1.00 0.00 H new ATOM 0 HA HIS A 79 -1.631 -6.724 0.018 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -0.939 -9.216 0.090 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -2.436 -9.496 0.957 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -1.466 -7.950 -2.572 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -5.191 -9.946 -2.870 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -3.394 -8.687 -4.156 1.00 0.00 H new ATOM 1341 N VAL A 80 -3.495 -7.415 2.629 1.00 0.00 N ATOM 1342 CA VAL A 80 -4.747 -7.084 3.297 1.00 0.00 C ATOM 1343 C VAL A 80 -4.787 -5.611 3.707 1.00 0.00 C ATOM 1344 O VAL A 80 -5.757 -4.907 3.415 1.00 0.00 O ATOM 1345 CB VAL A 80 -4.978 -7.964 4.547 1.00 0.00 C ATOM 1346 CG1 VAL A 80 -6.240 -7.541 5.284 1.00 0.00 C ATOM 1347 CG2 VAL A 80 -5.061 -9.433 4.161 1.00 0.00 C ATOM 0 H VAL A 80 -2.851 -7.969 3.193 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.543 -7.278 2.578 1.00 0.00 H new ATOM 0 HB VAL A 80 -4.128 -7.827 5.216 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -6.380 -8.175 6.159 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -6.146 -6.502 5.600 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -7.100 -7.642 4.621 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -5.224 -10.035 5.055 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -5.889 -9.581 3.468 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.130 -9.737 3.683 1.00 0.00 H new ATOM 1357 N VAL A 81 -3.732 -5.144 4.369 1.00 0.00 N ATOM 1358 CA VAL A 81 -3.698 -3.773 4.867 1.00 0.00 C ATOM 1359 C VAL A 81 -3.712 -2.769 3.712 1.00 0.00 C ATOM 1360 O VAL A 81 -4.366 -1.726 3.792 1.00 0.00 O ATOM 1361 CB VAL A 81 -2.479 -3.520 5.793 1.00 0.00 C ATOM 1362 CG1 VAL A 81 -1.163 -3.692 5.051 1.00 0.00 C ATOM 1363 CG2 VAL A 81 -2.560 -2.136 6.424 1.00 0.00 C ATOM 0 H VAL A 81 -2.895 -5.691 4.572 1.00 0.00 H new ATOM 0 HA VAL A 81 -4.599 -3.629 5.464 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.511 -4.268 6.586 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -0.334 -3.506 5.733 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -1.094 -4.709 4.664 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -1.117 -2.984 4.223 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -1.696 -1.979 7.069 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -2.570 -1.379 5.640 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.473 -2.058 7.015 1.00 0.00 H new ATOM 1373 N LEU A 82 -3.017 -3.101 2.628 1.00 0.00 N ATOM 1374 CA LEU A 82 -2.992 -2.241 1.456 1.00 0.00 C ATOM 1375 C LEU A 82 -4.369 -2.222 0.800 1.00 0.00 C ATOM 1376 O LEU A 82 -4.823 -1.181 0.330 1.00 0.00 O ATOM 1377 CB LEU A 82 -1.925 -2.707 0.461 1.00 0.00 C ATOM 1378 CG LEU A 82 -1.655 -1.751 -0.705 1.00 0.00 C ATOM 1379 CD1 LEU A 82 -1.183 -0.397 -0.193 1.00 0.00 C ATOM 1380 CD2 LEU A 82 -0.628 -2.347 -1.658 1.00 0.00 C ATOM 0 H LEU A 82 -2.467 -3.956 2.540 1.00 0.00 H new ATOM 0 HA LEU A 82 -2.736 -1.229 1.770 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.992 -2.866 1.002 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -2.227 -3.672 0.055 1.00 0.00 H new ATOM 0 HG LEU A 82 -2.588 -1.605 -1.249 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -0.997 0.267 -1.037 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.950 0.037 0.448 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -0.263 -0.524 0.378 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -0.449 -1.654 -2.480 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.305 -2.524 -1.123 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -1.004 -3.290 -2.054 1.00 0.00 H new ATOM 1392 N HIS A 83 -5.037 -3.377 0.795 1.00 0.00 N ATOM 1393 CA HIS A 83 -6.406 -3.473 0.295 1.00 0.00 C ATOM 1394 C HIS A 83 -7.298 -2.459 1.000 1.00 0.00 C ATOM 1395 O HIS A 83 -8.036 -1.726 0.350 1.00 0.00 O ATOM 1396 CB HIS A 83 -6.961 -4.903 0.482 1.00 0.00 C ATOM 1397 CG HIS A 83 -8.459 -4.977 0.661 1.00 0.00 C ATOM 1398 ND1 HIS A 83 -9.358 -4.994 -0.388 1.00 0.00 N ATOM 1399 CD2 HIS A 83 -9.212 -5.006 1.790 1.00 0.00 C ATOM 1400 CE1 HIS A 83 -10.589 -5.023 0.089 1.00 0.00 C ATOM 1401 NE2 HIS A 83 -10.525 -5.035 1.404 1.00 0.00 N ATOM 0 H HIS A 83 -4.650 -4.259 1.132 1.00 0.00 H new ATOM 0 HA HIS A 83 -6.397 -3.249 -0.772 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -6.682 -5.503 -0.384 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -6.482 -5.354 1.351 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -8.843 -5.006 2.805 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -11.494 -5.035 -0.500 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -11.326 -5.062 2.035 1.00 0.00 H new ATOM 1410 N GLU A 84 -7.214 -2.425 2.322 1.00 0.00 N ATOM 1411 CA GLU A 84 -8.081 -1.573 3.119 1.00 0.00 C ATOM 1412 C GLU A 84 -7.873 -0.104 2.768 1.00 0.00 C ATOM 1413 O GLU A 84 -8.817 0.600 2.410 1.00 0.00 O ATOM 1414 CB GLU A 84 -7.811 -1.790 4.607 1.00 0.00 C ATOM 1415 CG GLU A 84 -8.877 -1.191 5.503 1.00 0.00 C ATOM 1416 CD GLU A 84 -10.194 -1.932 5.397 1.00 0.00 C ATOM 1417 OE1 GLU A 84 -11.009 -1.586 4.515 1.00 0.00 O ATOM 1418 OE2 GLU A 84 -10.421 -2.869 6.188 1.00 0.00 O ATOM 0 H GLU A 84 -6.552 -2.979 2.865 1.00 0.00 H new ATOM 0 HA GLU A 84 -9.114 -1.840 2.897 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -7.739 -2.860 4.804 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -6.845 -1.354 4.861 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -8.533 -1.210 6.537 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -9.028 -0.145 5.237 1.00 0.00 H new ATOM 1425 N ALA A 85 -6.625 0.342 2.849 1.00 0.00 N ATOM 1426 CA ALA A 85 -6.297 1.739 2.607 1.00 0.00 C ATOM 1427 C ALA A 85 -6.628 2.148 1.174 1.00 0.00 C ATOM 1428 O ALA A 85 -7.191 3.218 0.936 1.00 0.00 O ATOM 1429 CB ALA A 85 -4.826 1.993 2.905 1.00 0.00 C ATOM 0 H ALA A 85 -5.824 -0.245 3.081 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.905 2.348 3.276 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -4.593 3.042 2.720 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -4.620 1.754 3.948 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -4.211 1.366 2.260 1.00 0.00 H new ATOM 1435 N MET A 86 -6.289 1.284 0.221 1.00 0.00 N ATOM 1436 CA MET A 86 -6.537 1.563 -1.191 1.00 0.00 C ATOM 1437 C MET A 86 -8.030 1.582 -1.504 1.00 0.00 C ATOM 1438 O MET A 86 -8.470 2.287 -2.411 1.00 0.00 O ATOM 1439 CB MET A 86 -5.817 0.544 -2.079 1.00 0.00 C ATOM 1440 CG MET A 86 -4.314 0.770 -2.163 1.00 0.00 C ATOM 1441 SD MET A 86 -3.886 2.370 -2.880 1.00 0.00 S ATOM 1442 CE MET A 86 -2.099 2.315 -2.804 1.00 0.00 C ATOM 0 H MET A 86 -5.842 0.385 0.400 1.00 0.00 H new ATOM 0 HA MET A 86 -6.139 2.555 -1.405 1.00 0.00 H new ATOM 0 HB2 MET A 86 -6.005 -0.459 -1.695 1.00 0.00 H new ATOM 0 HB3 MET A 86 -6.240 0.585 -3.083 1.00 0.00 H new ATOM 0 HG2 MET A 86 -3.884 0.698 -1.164 1.00 0.00 H new ATOM 0 HG3 MET A 86 -3.865 -0.023 -2.761 1.00 0.00 H new ATOM 0 HE1 MET A 86 -1.686 3.170 -3.339 1.00 0.00 H new ATOM 0 HE2 MET A 86 -1.778 2.349 -1.763 1.00 0.00 H new ATOM 0 HE3 MET A 86 -1.743 1.393 -3.264 1.00 0.00 H new ATOM 1452 N SER A 87 -8.811 0.824 -0.744 1.00 0.00 N ATOM 1453 CA SER A 87 -10.258 0.809 -0.925 1.00 0.00 C ATOM 1454 C SER A 87 -10.857 2.171 -0.597 1.00 0.00 C ATOM 1455 O SER A 87 -11.781 2.624 -1.265 1.00 0.00 O ATOM 1456 CB SER A 87 -10.905 -0.276 -0.062 1.00 0.00 C ATOM 1457 OG SER A 87 -10.498 -1.565 -0.485 1.00 0.00 O ATOM 0 H SER A 87 -8.470 0.215 -0.001 1.00 0.00 H new ATOM 0 HA SER A 87 -10.462 0.583 -1.972 1.00 0.00 H new ATOM 0 HB2 SER A 87 -10.631 -0.128 0.982 1.00 0.00 H new ATOM 0 HB3 SER A 87 -11.990 -0.195 -0.121 1.00 0.00 H new ATOM 0 HG SER A 87 -9.682 -1.824 -0.008 1.00 0.00 H new ATOM 1463 N GLN A 88 -10.305 2.831 0.411 1.00 0.00 N ATOM 1464 CA GLN A 88 -10.790 4.142 0.819 1.00 0.00 C ATOM 1465 C GLN A 88 -10.487 5.199 -0.246 1.00 0.00 C ATOM 1466 O GLN A 88 -11.291 6.099 -0.484 1.00 0.00 O ATOM 1467 CB GLN A 88 -10.191 4.521 2.174 1.00 0.00 C ATOM 1468 CG GLN A 88 -10.722 3.655 3.312 1.00 0.00 C ATOM 1469 CD GLN A 88 -10.054 3.941 4.639 1.00 0.00 C ATOM 1470 OE1 GLN A 88 -9.596 5.050 4.895 1.00 0.00 O ATOM 1471 NE2 GLN A 88 -10.014 2.941 5.505 1.00 0.00 N ATOM 0 H GLN A 88 -9.521 2.480 0.961 1.00 0.00 H new ATOM 0 HA GLN A 88 -11.874 4.097 0.925 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -9.106 4.427 2.127 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -10.412 5.567 2.385 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -11.796 3.815 3.411 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -10.578 2.605 3.059 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -10.406 2.033 5.254 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -9.591 3.078 6.423 1.00 0.00 H new ATOM 1480 N ALA A 89 -9.339 5.072 -0.902 1.00 0.00 N ATOM 1481 CA ALA A 89 -9.002 5.933 -2.036 1.00 0.00 C ATOM 1482 C ALA A 89 -9.902 5.609 -3.225 1.00 0.00 C ATOM 1483 O ALA A 89 -10.374 6.501 -3.936 1.00 0.00 O ATOM 1484 CB ALA A 89 -7.538 5.761 -2.407 1.00 0.00 C ATOM 0 H ALA A 89 -8.624 4.382 -0.670 1.00 0.00 H new ATOM 0 HA ALA A 89 -9.165 6.973 -1.754 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -7.299 6.406 -3.252 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -6.913 6.031 -1.556 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -7.351 4.722 -2.680 1.00 0.00 H new ATOM 1490 N ARG A 90 -10.142 4.320 -3.420 1.00 0.00 N ATOM 1491 CA ARG A 90 -11.068 3.833 -4.439 1.00 0.00 C ATOM 1492 C ARG A 90 -12.465 4.422 -4.231 1.00 0.00 C ATOM 1493 O ARG A 90 -13.070 4.956 -5.161 1.00 0.00 O ATOM 1494 CB ARG A 90 -11.100 2.301 -4.383 1.00 0.00 C ATOM 1495 CG ARG A 90 -12.405 1.669 -4.841 1.00 0.00 C ATOM 1496 CD ARG A 90 -12.417 0.185 -4.527 1.00 0.00 C ATOM 1497 NE ARG A 90 -13.763 -0.383 -4.545 1.00 0.00 N ATOM 1498 CZ ARG A 90 -14.425 -0.747 -3.444 1.00 0.00 C ATOM 1499 NH1 ARG A 90 -13.884 -0.544 -2.247 1.00 0.00 N ATOM 1500 NH2 ARG A 90 -15.619 -1.313 -3.542 1.00 0.00 N ATOM 0 H ARG A 90 -9.700 3.579 -2.876 1.00 0.00 H new ATOM 0 HA ARG A 90 -10.728 4.151 -5.425 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -10.289 1.913 -5.000 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -10.901 1.985 -3.359 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -13.245 2.158 -4.348 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -12.533 1.821 -5.913 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -11.795 -0.341 -5.252 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -11.971 0.021 -3.546 1.00 0.00 H new ATOM 0 HE ARG A 90 -14.222 -0.508 -5.447 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -12.964 -0.110 -2.170 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -14.389 -0.822 -1.405 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -16.034 -1.472 -4.460 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -16.123 -1.590 -2.699 1.00 0.00 H new ATOM 1514 N GLU A 91 -12.952 4.351 -2.997 1.00 0.00 N ATOM 1515 CA GLU A 91 -14.279 4.857 -2.659 1.00 0.00 C ATOM 1516 C GLU A 91 -14.293 6.382 -2.599 1.00 0.00 C ATOM 1517 O GLU A 91 -15.351 6.999 -2.487 1.00 0.00 O ATOM 1518 CB GLU A 91 -14.744 4.270 -1.325 1.00 0.00 C ATOM 1519 CG GLU A 91 -14.931 2.763 -1.368 1.00 0.00 C ATOM 1520 CD GLU A 91 -15.260 2.167 -0.013 1.00 0.00 C ATOM 1521 OE1 GLU A 91 -16.441 2.208 0.392 1.00 0.00 O ATOM 1522 OE2 GLU A 91 -14.343 1.634 0.645 1.00 0.00 O ATOM 0 H GLU A 91 -12.445 3.946 -2.210 1.00 0.00 H new ATOM 0 HA GLU A 91 -14.968 4.546 -3.445 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -14.016 4.518 -0.553 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -15.685 4.739 -1.037 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -15.730 2.522 -2.069 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -14.021 2.300 -1.751 1.00 0.00 H new ATOM 1529 N SER A 92 -13.116 6.987 -2.673 1.00 0.00 N ATOM 1530 CA SER A 92 -13.011 8.436 -2.692 1.00 0.00 C ATOM 1531 C SER A 92 -13.202 8.958 -4.112 1.00 0.00 C ATOM 1532 O SER A 92 -13.329 10.162 -4.331 1.00 0.00 O ATOM 1533 CB SER A 92 -11.657 8.884 -2.132 1.00 0.00 C ATOM 1534 OG SER A 92 -11.602 10.293 -1.986 1.00 0.00 O ATOM 0 H SER A 92 -12.223 6.497 -2.721 1.00 0.00 H new ATOM 0 HA SER A 92 -13.796 8.851 -2.060 1.00 0.00 H new ATOM 0 HB2 SER A 92 -11.485 8.409 -1.166 1.00 0.00 H new ATOM 0 HB3 SER A 92 -10.859 8.553 -2.796 1.00 0.00 H new ATOM 0 HG SER A 92 -12.097 10.717 -2.718 1.00 0.00 H new ATOM 1540 N GLY A 93 -13.218 8.040 -5.072 1.00 0.00 N ATOM 1541 CA GLY A 93 -13.467 8.410 -6.452 1.00 0.00 C ATOM 1542 C GLY A 93 -12.214 8.854 -7.178 1.00 0.00 C ATOM 1543 O GLY A 93 -12.283 9.322 -8.315 1.00 0.00 O ATOM 0 H GLY A 93 -13.062 7.044 -4.918 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -13.904 7.561 -6.978 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -14.202 9.215 -6.480 1.00 0.00 H new ATOM 1547 N LEU A 94 -11.064 8.707 -6.534 1.00 0.00 N ATOM 1548 CA LEU A 94 -9.805 9.133 -7.133 1.00 0.00 C ATOM 1549 C LEU A 94 -9.106 7.966 -7.820 1.00 0.00 C ATOM 1550 O LEU A 94 -8.169 8.157 -8.596 1.00 0.00 O ATOM 1551 CB LEU A 94 -8.892 9.773 -6.071 1.00 0.00 C ATOM 1552 CG LEU A 94 -8.489 8.879 -4.890 1.00 0.00 C ATOM 1553 CD1 LEU A 94 -7.306 7.990 -5.247 1.00 0.00 C ATOM 1554 CD2 LEU A 94 -8.165 9.730 -3.673 1.00 0.00 C ATOM 0 H LEU A 94 -10.976 8.299 -5.603 1.00 0.00 H new ATOM 0 HA LEU A 94 -10.025 9.884 -7.892 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -7.983 10.118 -6.564 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -9.394 10.656 -5.676 1.00 0.00 H new ATOM 0 HG LEU A 94 -9.333 8.231 -4.654 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.045 7.369 -4.390 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -7.572 7.352 -6.090 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.452 8.612 -5.518 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -7.881 9.084 -2.842 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -7.340 10.402 -3.908 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -9.042 10.315 -3.394 1.00 0.00 H new ATOM 1566 N LEU A 95 -9.573 6.759 -7.537 1.00 0.00 N ATOM 1567 CA LEU A 95 -8.960 5.563 -8.082 1.00 0.00 C ATOM 1568 C LEU A 95 -10.000 4.739 -8.825 1.00 0.00 C ATOM 1569 O LEU A 95 -11.169 4.702 -8.439 1.00 0.00 O ATOM 1570 CB LEU A 95 -8.330 4.739 -6.957 1.00 0.00 C ATOM 1571 CG LEU A 95 -7.332 3.668 -7.401 1.00 0.00 C ATOM 1572 CD1 LEU A 95 -6.241 4.280 -8.267 1.00 0.00 C ATOM 1573 CD2 LEU A 95 -6.720 2.993 -6.185 1.00 0.00 C ATOM 0 H LEU A 95 -10.376 6.585 -6.932 1.00 0.00 H new ATOM 0 HA LEU A 95 -8.177 5.851 -8.783 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -7.824 5.419 -6.272 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -9.128 4.255 -6.394 1.00 0.00 H new ATOM 0 HG LEU A 95 -7.862 2.921 -7.992 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -5.541 3.503 -8.573 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -6.690 4.733 -9.151 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -5.710 5.043 -7.698 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -6.011 2.232 -6.510 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -6.202 3.736 -5.578 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -7.507 2.526 -5.593 1.00 0.00 H new ATOM 1585 N LEU A 96 -9.566 4.097 -9.896 1.00 0.00 N ATOM 1586 CA LEU A 96 -10.449 3.306 -10.741 1.00 0.00 C ATOM 1587 C LEU A 96 -10.962 2.072 -10.004 1.00 0.00 C ATOM 1588 O LEU A 96 -12.162 1.797 -9.972 1.00 0.00 O ATOM 1589 CB LEU A 96 -9.696 2.880 -12.004 1.00 0.00 C ATOM 1590 CG LEU A 96 -10.492 2.022 -12.988 1.00 0.00 C ATOM 1591 CD1 LEU A 96 -11.619 2.828 -13.608 1.00 0.00 C ATOM 1592 CD2 LEU A 96 -9.577 1.465 -14.066 1.00 0.00 C ATOM 0 H LEU A 96 -8.594 4.108 -10.205 1.00 0.00 H new ATOM 0 HA LEU A 96 -11.309 3.919 -11.010 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -9.356 3.776 -12.523 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -8.805 2.328 -11.706 1.00 0.00 H new ATOM 0 HG LEU A 96 -10.930 1.186 -12.442 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -12.174 2.201 -14.305 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -12.289 3.180 -12.824 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -11.204 3.684 -14.141 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -10.159 0.857 -14.758 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -9.111 2.288 -14.609 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -8.804 0.851 -13.605 1.00 0.00 H new ATOM 1604 N GLN A 97 -10.041 1.348 -9.399 1.00 0.00 N ATOM 1605 CA GLN A 97 -10.346 0.076 -8.762 1.00 0.00 C ATOM 1606 C GLN A 97 -9.351 -0.169 -7.641 1.00 0.00 C ATOM 1607 O GLN A 97 -8.585 0.726 -7.297 1.00 0.00 O ATOM 1608 CB GLN A 97 -10.279 -1.052 -9.795 1.00 0.00 C ATOM 1609 CG GLN A 97 -8.929 -1.164 -10.490 1.00 0.00 C ATOM 1610 CD GLN A 97 -8.914 -2.199 -11.599 1.00 0.00 C ATOM 1611 OE1 GLN A 97 -10.043 -2.378 -12.264 1.00 0.00 O flip ATOM 1612 NE2 GLN A 97 -7.888 -2.824 -11.864 1.00 0.00 N flip ATOM 0 H GLN A 97 -9.061 1.622 -9.334 1.00 0.00 H new ATOM 0 HA GLN A 97 -11.353 0.102 -8.347 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -10.504 -1.998 -9.302 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -11.053 -0.892 -10.546 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -8.659 -0.193 -10.904 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -8.168 -1.419 -9.753 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -7.037 -2.657 -11.328 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -7.889 -3.509 -12.620 1.00 0.00 H new ATOM 1621 N ASN A 98 -9.360 -1.362 -7.067 1.00 0.00 N ATOM 1622 CA ASN A 98 -8.352 -1.722 -6.080 1.00 0.00 C ATOM 1623 C ASN A 98 -7.274 -2.582 -6.729 1.00 0.00 C ATOM 1624 O ASN A 98 -7.445 -3.791 -6.902 1.00 0.00 O ATOM 1625 CB ASN A 98 -8.967 -2.466 -4.892 1.00 0.00 C ATOM 1626 CG ASN A 98 -7.923 -2.825 -3.849 1.00 0.00 C ATOM 1627 OD1 ASN A 98 -6.939 -2.111 -3.663 1.00 0.00 O ATOM 1628 ND2 ASN A 98 -8.113 -3.944 -3.171 1.00 0.00 N ATOM 0 H ASN A 98 -10.046 -2.091 -7.264 1.00 0.00 H new ATOM 0 HA ASN A 98 -7.908 -0.800 -5.704 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -9.739 -1.846 -4.435 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -9.455 -3.374 -5.245 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -7.433 -4.237 -2.470 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -8.940 -4.514 -3.349 1.00 0.00 H new ATOM 1635 N PRO A 99 -6.144 -1.965 -7.098 1.00 0.00 N ATOM 1636 CA PRO A 99 -5.047 -2.653 -7.782 1.00 0.00 C ATOM 1637 C PRO A 99 -4.361 -3.665 -6.876 1.00 0.00 C ATOM 1638 O PRO A 99 -3.634 -4.538 -7.343 1.00 0.00 O ATOM 1639 CB PRO A 99 -4.076 -1.524 -8.156 1.00 0.00 C ATOM 1640 CG PRO A 99 -4.845 -0.260 -7.964 1.00 0.00 C ATOM 1641 CD PRO A 99 -5.836 -0.546 -6.878 1.00 0.00 C ATOM 0 HA PRO A 99 -5.398 -3.221 -8.643 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -3.188 -1.544 -7.524 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -3.735 -1.624 -9.187 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -4.185 0.561 -7.684 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -5.348 0.035 -8.885 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -5.416 -0.370 -5.888 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -6.724 0.080 -6.963 1.00 0.00 H new ATOM 1649 N THR A 100 -4.613 -3.541 -5.581 1.00 0.00 N ATOM 1650 CA THR A 100 -4.027 -4.426 -4.592 1.00 0.00 C ATOM 1651 C THR A 100 -4.464 -5.872 -4.820 1.00 0.00 C ATOM 1652 O THR A 100 -3.642 -6.781 -4.832 1.00 0.00 O ATOM 1653 CB THR A 100 -4.437 -3.997 -3.175 1.00 0.00 C ATOM 1654 OG1 THR A 100 -4.319 -2.575 -3.046 1.00 0.00 O ATOM 1655 CG2 THR A 100 -3.573 -4.678 -2.127 1.00 0.00 C ATOM 0 H THR A 100 -5.227 -2.826 -5.190 1.00 0.00 H new ATOM 0 HA THR A 100 -2.944 -4.361 -4.695 1.00 0.00 H new ATOM 0 HB THR A 100 -5.473 -4.296 -3.014 1.00 0.00 H new ATOM 0 HG1 THR A 100 -5.181 -2.155 -3.249 1.00 0.00 H new ATOM 0 HG21 THR A 100 -3.885 -4.356 -1.133 1.00 0.00 H new ATOM 0 HG22 THR A 100 -3.685 -5.759 -2.210 1.00 0.00 H new ATOM 0 HG23 THR A 100 -2.529 -4.408 -2.285 1.00 0.00 H new ATOM 1663 N GLU A 101 -5.761 -6.073 -5.024 1.00 0.00 N ATOM 1664 CA GLU A 101 -6.302 -7.415 -5.209 1.00 0.00 C ATOM 1665 C GLU A 101 -6.128 -7.874 -6.646 1.00 0.00 C ATOM 1666 O GLU A 101 -6.163 -9.071 -6.936 1.00 0.00 O ATOM 1667 CB GLU A 101 -7.772 -7.458 -4.799 1.00 0.00 C ATOM 1668 CG GLU A 101 -7.972 -7.247 -3.311 1.00 0.00 C ATOM 1669 CD GLU A 101 -9.425 -7.090 -2.924 1.00 0.00 C ATOM 1670 OE1 GLU A 101 -9.913 -5.941 -2.909 1.00 0.00 O ATOM 1671 OE2 GLU A 101 -10.077 -8.107 -2.610 1.00 0.00 O ATOM 0 H GLU A 101 -6.455 -5.327 -5.065 1.00 0.00 H new ATOM 0 HA GLU A 101 -5.747 -8.100 -4.568 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -8.320 -6.692 -5.347 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -8.197 -8.420 -5.085 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -7.547 -8.093 -2.770 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -7.421 -6.360 -2.999 1.00 0.00 H new ATOM 1678 N ALA A 102 -5.935 -6.917 -7.545 1.00 0.00 N ATOM 1679 CA ALA A 102 -5.611 -7.229 -8.927 1.00 0.00 C ATOM 1680 C ALA A 102 -4.174 -7.726 -9.012 1.00 0.00 C ATOM 1681 O ALA A 102 -3.803 -8.466 -9.927 1.00 0.00 O ATOM 1682 CB ALA A 102 -5.812 -6.008 -9.811 1.00 0.00 C ATOM 0 H ALA A 102 -5.998 -5.920 -7.340 1.00 0.00 H new ATOM 0 HA ALA A 102 -6.279 -8.013 -9.283 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -5.565 -6.261 -10.842 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -6.852 -5.686 -9.756 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -5.164 -5.201 -9.470 1.00 0.00 H new ATOM 1688 N ALA A 103 -3.380 -7.322 -8.030 1.00 0.00 N ATOM 1689 CA ALA A 103 -2.003 -7.760 -7.914 1.00 0.00 C ATOM 1690 C ALA A 103 -1.935 -9.058 -7.128 1.00 0.00 C ATOM 1691 O ALA A 103 -2.095 -9.073 -5.906 1.00 0.00 O ATOM 1692 CB ALA A 103 -1.169 -6.686 -7.236 1.00 0.00 C ATOM 0 H ALA A 103 -3.676 -6.682 -7.293 1.00 0.00 H new ATOM 0 HA ALA A 103 -1.601 -7.934 -8.912 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -0.136 -7.025 -7.154 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -1.204 -5.771 -7.827 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -1.567 -6.491 -6.240 1.00 0.00 H new ATOM 1698 N LYS A 104 -1.723 -10.150 -7.838 1.00 0.00 N ATOM 1699 CA LYS A 104 -1.665 -11.459 -7.218 1.00 0.00 C ATOM 1700 C LYS A 104 -0.241 -11.992 -7.240 1.00 0.00 C ATOM 1701 O LYS A 104 0.408 -12.005 -8.287 1.00 0.00 O ATOM 1702 CB LYS A 104 -2.613 -12.420 -7.934 1.00 0.00 C ATOM 1703 CG LYS A 104 -4.076 -12.031 -7.790 1.00 0.00 C ATOM 1704 CD LYS A 104 -4.988 -12.947 -8.591 1.00 0.00 C ATOM 1705 CE LYS A 104 -4.780 -12.778 -10.087 1.00 0.00 C ATOM 1706 NZ LYS A 104 -5.114 -11.402 -10.549 1.00 0.00 N ATOM 0 H LYS A 104 -1.588 -10.155 -8.849 1.00 0.00 H new ATOM 0 HA LYS A 104 -1.980 -11.372 -6.178 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -2.355 -12.455 -8.992 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -2.470 -13.425 -7.538 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -4.359 -12.066 -6.738 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -4.212 -11.002 -8.122 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -4.799 -13.984 -8.312 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -6.028 -12.734 -8.342 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -3.742 -13.001 -10.335 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -5.398 -13.499 -10.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -5.205 -11.396 -11.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -6.012 -11.100 -10.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -4.358 -10.747 -10.264 1.00 0.00 H new