USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 594 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 44 ASN : amide:sc= -1.57 K(o=-1.4,f=-9.1!) USER MOD Set 1.2: A 65 SER OG : rot 107:sc= 0.175 USER MOD Set 2.1: A 55 THR OG1 : rot 122:sc= 0.419 USER MOD Set 2.2: A 58 THR OG1 : rot 128:sc= 1.08 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.0106 K(o=-0.011,f=-1.9!) USER MOD Single : A 16 SER OG : rot 86:sc= 0.385 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 SER OG : rot -82:sc= -1.19! USER MOD Single : A 24 TYR OH : rot -15:sc= -1.63! USER MOD Single : A 27 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0.124 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl -108:sc= -1.48 (180deg=-5.58!) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 150:sc= -3.74! USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-2.1) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HD1:sc= -1.66 K(o=-1.7,f=-0.58) USER MOD Single : A 69 GLN : amide:sc= -0.311 K(o=-0.31,f=-2.4!) USER MOD Single : A 75 LYS NZ :NH3+ -177:sc= -0.0053 (180deg=-0.021) USER MOD Single : A 76 SER OG : rot -93:sc= 1.29 USER MOD ----------------------------------------------------------------- ATOM 130 N SER A 10 14.446 -0.349 10.938 1.00 0.00 N ATOM 131 CA SER A 10 13.450 -1.380 11.212 1.00 0.00 C ATOM 132 C SER A 10 12.836 -1.906 9.914 1.00 0.00 C ATOM 133 O SER A 10 12.071 -1.203 9.254 1.00 0.00 O ATOM 134 CB SER A 10 12.350 -0.825 12.119 1.00 0.00 C ATOM 135 OG SER A 10 11.844 -1.829 12.981 1.00 0.00 O ATOM 0 HA SER A 10 13.949 -2.207 11.718 1.00 0.00 H new ATOM 0 HB2 SER A 10 12.745 0.001 12.710 1.00 0.00 H new ATOM 0 HB3 SER A 10 11.541 -0.423 11.510 1.00 0.00 H new ATOM 0 HG SER A 10 11.144 -1.448 13.551 1.00 0.00 H new ATOM 141 N PRO A 11 13.164 -3.153 9.527 1.00 0.00 N ATOM 142 CA PRO A 11 12.639 -3.760 8.301 1.00 0.00 C ATOM 143 C PRO A 11 11.186 -4.205 8.439 1.00 0.00 C ATOM 144 O PRO A 11 10.510 -4.466 7.444 1.00 0.00 O ATOM 145 CB PRO A 11 13.549 -4.966 8.094 1.00 0.00 C ATOM 146 CG PRO A 11 13.961 -5.352 9.467 1.00 0.00 C ATOM 147 CD PRO A 11 14.071 -4.069 10.246 1.00 0.00 C ATOM 0 HA PRO A 11 12.636 -3.057 7.468 1.00 0.00 H new ATOM 0 HB2 PRO A 11 13.024 -5.779 7.592 1.00 0.00 H new ATOM 0 HB3 PRO A 11 14.411 -4.713 7.476 1.00 0.00 H new ATOM 0 HG2 PRO A 11 13.229 -6.021 9.920 1.00 0.00 H new ATOM 0 HG3 PRO A 11 14.913 -5.883 9.454 1.00 0.00 H new ATOM 0 HD2 PRO A 11 13.767 -4.202 11.284 1.00 0.00 H new ATOM 0 HD3 PRO A 11 15.094 -3.693 10.259 1.00 0.00 H new ATOM 155 N ASP A 12 10.713 -4.291 9.677 1.00 0.00 N ATOM 156 CA ASP A 12 9.342 -4.708 9.943 1.00 0.00 C ATOM 157 C ASP A 12 8.342 -3.694 9.402 1.00 0.00 C ATOM 158 O ASP A 12 7.189 -4.029 9.129 1.00 0.00 O ATOM 159 CB ASP A 12 9.129 -4.904 11.443 1.00 0.00 C ATOM 160 CG ASP A 12 8.891 -6.356 11.810 1.00 0.00 C ATOM 161 OD1 ASP A 12 9.876 -7.121 11.871 1.00 0.00 O ATOM 162 OD2 ASP A 12 7.721 -6.727 12.036 1.00 0.00 O ATOM 0 H ASP A 12 11.259 -4.078 10.512 1.00 0.00 H new ATOM 0 HA ASP A 12 9.175 -5.656 9.432 1.00 0.00 H new ATOM 0 HB2 ASP A 12 10.001 -4.534 11.982 1.00 0.00 H new ATOM 0 HB3 ASP A 12 8.277 -4.306 11.767 1.00 0.00 H new ATOM 167 N ILE A 13 8.788 -2.455 9.249 1.00 0.00 N ATOM 168 CA ILE A 13 7.932 -1.397 8.740 1.00 0.00 C ATOM 169 C ILE A 13 7.783 -1.514 7.234 1.00 0.00 C ATOM 170 O ILE A 13 6.677 -1.478 6.696 1.00 0.00 O ATOM 171 CB ILE A 13 8.468 0.005 9.129 1.00 0.00 C ATOM 172 CG1 ILE A 13 7.306 0.978 9.332 1.00 0.00 C ATOM 173 CG2 ILE A 13 9.448 0.550 8.095 1.00 0.00 C ATOM 174 CD1 ILE A 13 6.339 0.550 10.415 1.00 0.00 C ATOM 0 H ILE A 13 9.739 -2.159 9.471 1.00 0.00 H new ATOM 0 HA ILE A 13 6.950 -1.513 9.199 1.00 0.00 H new ATOM 0 HB ILE A 13 9.014 -0.100 10.067 1.00 0.00 H new ATOM 0 HG12 ILE A 13 7.706 1.961 9.581 1.00 0.00 H new ATOM 0 HG13 ILE A 13 6.763 1.083 8.393 1.00 0.00 H new ATOM 0 HG21 ILE A 13 9.798 1.534 8.408 1.00 0.00 H new ATOM 0 HG22 ILE A 13 10.298 -0.127 8.007 1.00 0.00 H new ATOM 0 HG23 ILE A 13 8.949 0.633 7.129 1.00 0.00 H new ATOM 0 HD11 ILE A 13 5.541 1.288 10.503 1.00 0.00 H new ATOM 0 HD12 ILE A 13 5.911 -0.419 10.158 1.00 0.00 H new ATOM 0 HD13 ILE A 13 6.868 0.473 11.365 1.00 0.00 H new ATOM 186 N GLU A 14 8.910 -1.673 6.571 1.00 0.00 N ATOM 187 CA GLU A 14 8.932 -1.822 5.127 1.00 0.00 C ATOM 188 C GLU A 14 8.338 -3.167 4.733 1.00 0.00 C ATOM 189 O GLU A 14 7.833 -3.337 3.623 1.00 0.00 O ATOM 190 CB GLU A 14 10.361 -1.698 4.594 1.00 0.00 C ATOM 191 CG GLU A 14 10.443 -1.060 3.217 1.00 0.00 C ATOM 192 CD GLU A 14 11.557 -1.643 2.370 1.00 0.00 C ATOM 193 OE1 GLU A 14 12.718 -1.213 2.536 1.00 0.00 O ATOM 194 OE2 GLU A 14 11.269 -2.531 1.540 1.00 0.00 O ATOM 0 H GLU A 14 9.830 -1.703 7.011 1.00 0.00 H new ATOM 0 HA GLU A 14 8.331 -1.026 4.687 1.00 0.00 H new ATOM 0 HB2 GLU A 14 10.951 -1.108 5.295 1.00 0.00 H new ATOM 0 HB3 GLU A 14 10.812 -2.689 4.553 1.00 0.00 H new ATOM 0 HG2 GLU A 14 9.492 -1.193 2.702 1.00 0.00 H new ATOM 0 HG3 GLU A 14 10.598 0.013 3.327 1.00 0.00 H new ATOM 201 N GLN A 15 8.394 -4.117 5.660 1.00 0.00 N ATOM 202 CA GLN A 15 7.857 -5.442 5.429 1.00 0.00 C ATOM 203 C GLN A 15 6.346 -5.434 5.560 1.00 0.00 C ATOM 204 O GLN A 15 5.633 -6.049 4.768 1.00 0.00 O ATOM 205 CB GLN A 15 8.467 -6.429 6.400 1.00 0.00 C ATOM 206 CG GLN A 15 9.656 -7.160 5.817 1.00 0.00 C ATOM 207 CD GLN A 15 9.254 -8.353 4.973 1.00 0.00 C ATOM 208 OE1 GLN A 15 8.395 -8.248 4.098 1.00 0.00 O ATOM 209 NE2 GLN A 15 9.876 -9.498 5.232 1.00 0.00 N ATOM 0 H GLN A 15 8.810 -3.987 6.582 1.00 0.00 H new ATOM 0 HA GLN A 15 8.111 -5.748 4.414 1.00 0.00 H new ATOM 0 HB2 GLN A 15 8.776 -5.901 7.302 1.00 0.00 H new ATOM 0 HB3 GLN A 15 7.710 -7.154 6.699 1.00 0.00 H new ATOM 0 HG2 GLN A 15 10.239 -6.469 5.208 1.00 0.00 H new ATOM 0 HG3 GLN A 15 10.304 -7.495 6.627 1.00 0.00 H new ATOM 0 HE21 GLN A 15 10.582 -9.540 5.967 1.00 0.00 H new ATOM 0 HE22 GLN A 15 9.647 -10.335 4.696 1.00 0.00 H new ATOM 218 N SER A 16 5.871 -4.715 6.563 1.00 0.00 N ATOM 219 CA SER A 16 4.444 -4.597 6.808 1.00 0.00 C ATOM 220 C SER A 16 3.781 -3.811 5.685 1.00 0.00 C ATOM 221 O SER A 16 2.589 -3.968 5.419 1.00 0.00 O ATOM 222 CB SER A 16 4.185 -3.916 8.152 1.00 0.00 C ATOM 223 OG SER A 16 4.379 -4.818 9.228 1.00 0.00 O ATOM 0 H SER A 16 6.456 -4.202 7.223 1.00 0.00 H new ATOM 0 HA SER A 16 4.015 -5.598 6.839 1.00 0.00 H new ATOM 0 HB2 SER A 16 4.853 -3.062 8.265 1.00 0.00 H new ATOM 0 HB3 SER A 16 3.166 -3.530 8.177 1.00 0.00 H new ATOM 0 HG SER A 16 5.326 -4.828 9.480 1.00 0.00 H new ATOM 229 N PHE A 17 4.567 -2.965 5.026 1.00 0.00 N ATOM 230 CA PHE A 17 4.067 -2.154 3.929 1.00 0.00 C ATOM 231 C PHE A 17 3.782 -3.013 2.709 1.00 0.00 C ATOM 232 O PHE A 17 2.806 -2.792 1.994 1.00 0.00 O ATOM 233 CB PHE A 17 5.066 -1.054 3.584 1.00 0.00 C ATOM 234 CG PHE A 17 4.618 0.318 4.001 1.00 0.00 C ATOM 235 CD1 PHE A 17 4.072 0.529 5.257 1.00 0.00 C ATOM 236 CD2 PHE A 17 4.746 1.395 3.139 1.00 0.00 C ATOM 237 CE1 PHE A 17 3.660 1.789 5.645 1.00 0.00 C ATOM 238 CE2 PHE A 17 4.335 2.658 3.522 1.00 0.00 C ATOM 239 CZ PHE A 17 3.792 2.855 4.777 1.00 0.00 C ATOM 0 H PHE A 17 5.555 -2.825 5.236 1.00 0.00 H new ATOM 0 HA PHE A 17 3.132 -1.690 4.245 1.00 0.00 H new ATOM 0 HB2 PHE A 17 6.019 -1.277 4.063 1.00 0.00 H new ATOM 0 HB3 PHE A 17 5.241 -1.058 2.508 1.00 0.00 H new ATOM 0 HD1 PHE A 17 3.967 -0.301 5.940 1.00 0.00 H new ATOM 0 HD2 PHE A 17 5.171 1.246 2.158 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.235 1.940 6.626 1.00 0.00 H new ATOM 0 HE2 PHE A 17 4.438 3.490 2.841 1.00 0.00 H new ATOM 0 HZ PHE A 17 3.471 3.841 5.079 1.00 0.00 H new ATOM 249 N GLN A 18 4.635 -4.000 2.485 1.00 0.00 N ATOM 250 CA GLN A 18 4.463 -4.901 1.355 1.00 0.00 C ATOM 251 C GLN A 18 3.214 -5.750 1.542 1.00 0.00 C ATOM 252 O GLN A 18 2.615 -6.214 0.573 1.00 0.00 O ATOM 253 CB GLN A 18 5.686 -5.804 1.183 1.00 0.00 C ATOM 254 CG GLN A 18 5.467 -6.935 0.188 1.00 0.00 C ATOM 255 CD GLN A 18 6.766 -7.558 -0.285 1.00 0.00 C ATOM 256 OE1 GLN A 18 7.309 -8.455 0.361 1.00 0.00 O ATOM 257 NE2 GLN A 18 7.271 -7.085 -1.418 1.00 0.00 N ATOM 0 H GLN A 18 5.449 -4.198 3.067 1.00 0.00 H new ATOM 0 HA GLN A 18 4.352 -4.296 0.455 1.00 0.00 H new ATOM 0 HB2 GLN A 18 6.531 -5.200 0.854 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.954 -6.228 2.151 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.847 -7.704 0.649 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.917 -6.555 -0.673 1.00 0.00 H new ATOM 0 HE21 GLN A 18 6.787 -6.341 -1.921 1.00 0.00 H new ATOM 0 HE22 GLN A 18 8.143 -7.466 -1.786 1.00 0.00 H new ATOM 266 N GLU A 19 2.831 -5.951 2.794 1.00 0.00 N ATOM 267 CA GLU A 19 1.656 -6.745 3.109 1.00 0.00 C ATOM 268 C GLU A 19 0.394 -6.042 2.641 1.00 0.00 C ATOM 269 O GLU A 19 -0.544 -6.679 2.165 1.00 0.00 O ATOM 270 CB GLU A 19 1.586 -7.025 4.608 1.00 0.00 C ATOM 271 CG GLU A 19 1.614 -8.506 4.952 1.00 0.00 C ATOM 272 CD GLU A 19 3.004 -9.102 4.846 1.00 0.00 C ATOM 273 OE1 GLU A 19 3.750 -9.053 5.846 1.00 0.00 O ATOM 274 OE2 GLU A 19 3.346 -9.619 3.762 1.00 0.00 O ATOM 0 H GLU A 19 3.318 -5.575 3.608 1.00 0.00 H new ATOM 0 HA GLU A 19 1.734 -7.696 2.583 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.423 -6.530 5.101 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.673 -6.584 5.009 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.238 -8.647 5.965 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.940 -9.043 4.285 1.00 0.00 H new ATOM 281 N ALA A 20 0.384 -4.726 2.769 1.00 0.00 N ATOM 282 CA ALA A 20 -0.758 -3.936 2.346 1.00 0.00 C ATOM 283 C ALA A 20 -0.736 -3.731 0.842 1.00 0.00 C ATOM 284 O ALA A 20 -1.780 -3.648 0.196 1.00 0.00 O ATOM 285 CB ALA A 20 -0.785 -2.600 3.073 1.00 0.00 C ATOM 0 H ALA A 20 1.153 -4.183 3.162 1.00 0.00 H new ATOM 0 HA ALA A 20 -1.667 -4.480 2.603 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -1.648 -2.023 2.742 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -0.854 -2.772 4.147 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.128 -2.047 2.852 1.00 0.00 H new ATOM 291 N LEU A 21 0.466 -3.669 0.289 1.00 0.00 N ATOM 292 CA LEU A 21 0.638 -3.494 -1.140 1.00 0.00 C ATOM 293 C LEU A 21 0.469 -4.826 -1.858 1.00 0.00 C ATOM 294 O LEU A 21 0.047 -4.874 -3.013 1.00 0.00 O ATOM 295 CB LEU A 21 2.007 -2.890 -1.446 1.00 0.00 C ATOM 296 CG LEU A 21 1.970 -1.507 -2.098 1.00 0.00 C ATOM 297 CD1 LEU A 21 1.129 -1.539 -3.365 1.00 0.00 C ATOM 298 CD2 LEU A 21 1.428 -0.473 -1.122 1.00 0.00 C ATOM 0 H LEU A 21 1.338 -3.738 0.813 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.127 -2.806 -1.500 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.574 -2.823 -0.517 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.550 -3.570 -2.102 1.00 0.00 H new ATOM 0 HG LEU A 21 2.988 -1.224 -2.368 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.113 -0.547 -3.816 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.559 -2.251 -4.069 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.111 -1.842 -3.119 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.408 0.505 -1.602 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.417 -0.750 -0.822 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.069 -0.432 -0.242 1.00 0.00 H new ATOM 310 N SER A 22 0.789 -5.906 -1.156 1.00 0.00 N ATOM 311 CA SER A 22 0.660 -7.242 -1.710 1.00 0.00 C ATOM 312 C SER A 22 -0.795 -7.674 -1.690 1.00 0.00 C ATOM 313 O SER A 22 -1.272 -8.353 -2.599 1.00 0.00 O ATOM 314 CB SER A 22 1.516 -8.235 -0.921 1.00 0.00 C ATOM 315 OG SER A 22 1.166 -8.232 0.452 1.00 0.00 O ATOM 0 H SER A 22 1.141 -5.879 -0.199 1.00 0.00 H new ATOM 0 HA SER A 22 1.012 -7.227 -2.742 1.00 0.00 H new ATOM 0 HB2 SER A 22 1.386 -9.237 -1.330 1.00 0.00 H new ATOM 0 HB3 SER A 22 2.570 -7.979 -1.031 1.00 0.00 H new ATOM 0 HG SER A 22 1.617 -7.488 0.903 1.00 0.00 H new ATOM 321 N ILE A 23 -1.493 -7.263 -0.642 1.00 0.00 N ATOM 322 CA ILE A 23 -2.901 -7.589 -0.485 1.00 0.00 C ATOM 323 C ILE A 23 -3.764 -6.650 -1.318 1.00 0.00 C ATOM 324 O ILE A 23 -4.775 -7.053 -1.895 1.00 0.00 O ATOM 325 CB ILE A 23 -3.327 -7.529 1.001 1.00 0.00 C ATOM 326 CG1 ILE A 23 -4.207 -8.731 1.351 1.00 0.00 C ATOM 327 CG2 ILE A 23 -4.048 -6.227 1.328 1.00 0.00 C ATOM 328 CD1 ILE A 23 -3.419 -9.981 1.679 1.00 0.00 C ATOM 0 H ILE A 23 -1.104 -6.701 0.115 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.048 -8.609 -0.840 1.00 0.00 H new ATOM 0 HB ILE A 23 -2.422 -7.564 1.607 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -4.837 -8.474 2.203 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -4.873 -8.940 0.514 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -4.331 -6.222 2.381 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.387 -5.384 1.127 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -4.943 -6.142 0.711 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.107 -10.793 1.917 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -2.809 -10.262 0.821 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -2.773 -9.789 2.536 1.00 0.00 H new ATOM 340 N TYR A 24 -3.344 -5.396 -1.371 1.00 0.00 N ATOM 341 CA TYR A 24 -4.047 -4.374 -2.127 1.00 0.00 C ATOM 342 C TYR A 24 -3.173 -3.825 -3.251 1.00 0.00 C ATOM 343 O TYR A 24 -2.508 -2.801 -3.087 1.00 0.00 O ATOM 344 CB TYR A 24 -4.488 -3.238 -1.217 1.00 0.00 C ATOM 345 CG TYR A 24 -5.263 -3.687 0.000 1.00 0.00 C ATOM 346 CD1 TYR A 24 -6.419 -4.447 -0.128 1.00 0.00 C ATOM 347 CD2 TYR A 24 -4.838 -3.349 1.278 1.00 0.00 C ATOM 348 CE1 TYR A 24 -7.129 -4.857 0.984 1.00 0.00 C ATOM 349 CE2 TYR A 24 -5.542 -3.755 2.395 1.00 0.00 C ATOM 350 CZ TYR A 24 -6.687 -4.509 2.243 1.00 0.00 C ATOM 351 OH TYR A 24 -7.391 -4.917 3.353 1.00 0.00 O ATOM 0 H TYR A 24 -2.509 -5.059 -0.892 1.00 0.00 H new ATOM 0 HA TYR A 24 -4.930 -4.838 -2.567 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -3.607 -2.686 -0.890 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -5.103 -2.545 -1.791 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -6.768 -4.722 -1.112 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -3.942 -2.759 1.401 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -8.026 -5.447 0.868 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -5.198 -3.484 3.382 1.00 0.00 H new ATOM 0 HH TYR A 24 -8.281 -5.224 3.081 1.00 0.00 H new ATOM 361 N PRO A 25 -3.160 -4.499 -4.414 1.00 0.00 N ATOM 362 CA PRO A 25 -2.369 -4.082 -5.562 1.00 0.00 C ATOM 363 C PRO A 25 -3.090 -3.040 -6.415 1.00 0.00 C ATOM 364 O PRO A 25 -4.304 -2.866 -6.303 1.00 0.00 O ATOM 365 CB PRO A 25 -2.167 -5.380 -6.356 1.00 0.00 C ATOM 366 CG PRO A 25 -3.073 -6.408 -5.746 1.00 0.00 C ATOM 367 CD PRO A 25 -3.912 -5.719 -4.704 1.00 0.00 C ATOM 0 HA PRO A 25 -1.436 -3.607 -5.259 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -2.406 -5.230 -7.409 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -1.127 -5.704 -6.308 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -3.706 -6.860 -6.509 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -2.491 -7.213 -5.297 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -4.912 -5.496 -5.077 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -4.034 -6.337 -3.814 1.00 0.00 H new ATOM 375 N PRO A 26 -2.348 -2.330 -7.282 1.00 0.00 N ATOM 376 CA PRO A 26 -2.919 -1.301 -8.157 1.00 0.00 C ATOM 377 C PRO A 26 -3.824 -1.883 -9.239 1.00 0.00 C ATOM 378 O PRO A 26 -4.526 -1.148 -9.934 1.00 0.00 O ATOM 379 CB PRO A 26 -1.691 -0.644 -8.785 1.00 0.00 C ATOM 380 CG PRO A 26 -0.641 -1.693 -8.737 1.00 0.00 C ATOM 381 CD PRO A 26 -0.894 -2.474 -7.479 1.00 0.00 C ATOM 0 HA PRO A 26 -3.554 -0.610 -7.603 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -1.890 -0.329 -9.809 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -1.389 0.245 -8.231 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -0.693 -2.338 -9.614 1.00 0.00 H new ATOM 0 HG3 PRO A 26 0.354 -1.249 -8.727 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -0.604 -3.519 -7.588 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -0.331 -2.073 -6.636 1.00 0.00 H new ATOM 389 N CYS A 27 -3.806 -3.206 -9.379 1.00 0.00 N ATOM 390 CA CYS A 27 -4.623 -3.878 -10.373 1.00 0.00 C ATOM 391 C CYS A 27 -5.127 -5.220 -9.851 1.00 0.00 C ATOM 392 O CYS A 27 -4.584 -5.768 -8.892 1.00 0.00 O ATOM 393 CB CYS A 27 -3.832 -4.078 -11.663 1.00 0.00 C ATOM 394 SG CYS A 27 -4.565 -3.279 -13.110 1.00 0.00 S ATOM 0 H CYS A 27 -3.232 -3.831 -8.813 1.00 0.00 H new ATOM 0 HA CYS A 27 -5.487 -3.247 -10.582 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -2.822 -3.692 -11.521 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -3.741 -5.146 -11.859 1.00 0.00 H new ATOM 0 HG CYS A 27 -3.822 -3.503 -14.153 1.00 0.00 H new ATOM 400 N GLY A 28 -6.170 -5.742 -10.487 1.00 0.00 N ATOM 401 CA GLY A 28 -6.732 -7.014 -10.073 1.00 0.00 C ATOM 402 C GLY A 28 -8.024 -6.851 -9.297 1.00 0.00 C ATOM 403 O GLY A 28 -8.980 -7.598 -9.504 1.00 0.00 O ATOM 0 H GLY A 28 -6.637 -5.306 -11.283 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -6.915 -7.630 -10.953 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -6.006 -7.545 -9.457 1.00 0.00 H new ATOM 407 N ARG A 29 -8.053 -5.869 -8.402 1.00 0.00 N ATOM 408 CA ARG A 29 -9.237 -5.607 -7.592 1.00 0.00 C ATOM 409 C ARG A 29 -10.422 -5.219 -8.471 1.00 0.00 C ATOM 410 O ARG A 29 -10.355 -5.316 -9.697 1.00 0.00 O ATOM 411 CB ARG A 29 -8.950 -4.497 -6.578 1.00 0.00 C ATOM 412 CG ARG A 29 -8.669 -3.146 -7.217 1.00 0.00 C ATOM 413 CD ARG A 29 -9.849 -2.199 -7.064 1.00 0.00 C ATOM 414 NE ARG A 29 -9.653 -1.253 -5.968 1.00 0.00 N ATOM 415 CZ ARG A 29 -10.350 -0.128 -5.826 1.00 0.00 C ATOM 416 NH1 ARG A 29 -11.290 0.194 -6.707 1.00 0.00 N ATOM 417 NH2 ARG A 29 -10.109 0.677 -4.800 1.00 0.00 N ATOM 0 H ARG A 29 -7.270 -5.241 -8.219 1.00 0.00 H new ATOM 0 HA ARG A 29 -9.492 -6.521 -7.056 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -9.803 -4.401 -5.906 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -8.094 -4.786 -5.968 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -7.784 -2.703 -6.759 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -8.446 -3.283 -8.275 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -9.997 -1.650 -7.994 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -10.756 -2.776 -6.887 1.00 0.00 H new ATOM 0 HE ARG A 29 -8.940 -1.467 -5.271 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -11.481 -0.422 -7.497 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -11.821 1.057 -6.593 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -9.389 0.434 -4.119 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -10.643 1.539 -4.692 1.00 0.00 H new ATOM 431 N ARG A 30 -11.504 -4.776 -7.839 1.00 0.00 N ATOM 432 CA ARG A 30 -12.697 -4.371 -8.561 1.00 0.00 C ATOM 433 C ARG A 30 -13.330 -3.140 -7.921 1.00 0.00 C ATOM 434 O ARG A 30 -13.659 -3.144 -6.735 1.00 0.00 O ATOM 435 CB ARG A 30 -13.709 -5.519 -8.605 1.00 0.00 C ATOM 436 CG ARG A 30 -14.469 -5.609 -9.918 1.00 0.00 C ATOM 437 CD ARG A 30 -15.442 -6.777 -9.919 1.00 0.00 C ATOM 438 NE ARG A 30 -15.524 -7.420 -11.228 1.00 0.00 N ATOM 439 CZ ARG A 30 -14.618 -8.279 -11.690 1.00 0.00 C ATOM 440 NH1 ARG A 30 -13.561 -8.600 -10.954 1.00 0.00 N ATOM 441 NH2 ARG A 30 -14.769 -8.820 -12.891 1.00 0.00 N ATOM 0 H ARG A 30 -11.576 -4.690 -6.825 1.00 0.00 H new ATOM 0 HA ARG A 30 -12.405 -4.117 -9.580 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -13.187 -6.460 -8.432 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -14.422 -5.396 -7.790 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -15.013 -4.680 -10.089 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -13.763 -5.721 -10.741 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -15.130 -7.509 -9.174 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -16.431 -6.425 -9.625 1.00 0.00 H new ATOM 0 HE ARG A 30 -16.322 -7.198 -11.823 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -13.440 -8.188 -10.029 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -12.870 -9.259 -11.314 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -15.579 -8.578 -13.461 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -14.075 -9.478 -13.245 1.00 0.00 H new ATOM 455 N LYS A 31 -13.498 -2.087 -8.715 1.00 0.00 N ATOM 456 CA LYS A 31 -14.091 -0.848 -8.227 1.00 0.00 C ATOM 457 C LYS A 31 -15.501 -1.089 -7.699 1.00 0.00 C ATOM 458 O LYS A 31 -16.078 -2.157 -7.907 1.00 0.00 O ATOM 459 CB LYS A 31 -14.124 0.200 -9.342 1.00 0.00 C ATOM 460 CG LYS A 31 -12.850 1.024 -9.439 1.00 0.00 C ATOM 461 CD LYS A 31 -12.695 1.648 -10.817 1.00 0.00 C ATOM 462 CE LYS A 31 -11.755 0.836 -11.693 1.00 0.00 C ATOM 463 NZ LYS A 31 -10.910 1.707 -12.557 1.00 0.00 N ATOM 0 H LYS A 31 -13.232 -2.068 -9.699 1.00 0.00 H new ATOM 0 HA LYS A 31 -13.474 -0.479 -7.408 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -14.297 -0.300 -10.295 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -14.968 0.869 -9.176 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -12.864 1.809 -8.682 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -11.989 0.391 -9.226 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -13.671 1.719 -11.297 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -12.314 2.664 -10.717 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -11.115 0.218 -11.063 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -12.336 0.158 -12.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -10.283 1.115 -13.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -11.520 2.278 -13.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -10.336 2.336 -11.960 1.00 0.00 H new ATOM 477 N ILE A 32 -16.051 -0.090 -7.016 1.00 0.00 N ATOM 478 CA ILE A 32 -17.390 -0.190 -6.459 1.00 0.00 C ATOM 479 C ILE A 32 -18.017 1.191 -6.292 1.00 0.00 C ATOM 480 O ILE A 32 -17.437 2.199 -6.695 1.00 0.00 O ATOM 481 CB ILE A 32 -17.401 -0.916 -5.097 1.00 0.00 C ATOM 482 CG1 ILE A 32 -16.035 -1.538 -4.791 1.00 0.00 C ATOM 483 CG2 ILE A 32 -18.487 -1.981 -5.073 1.00 0.00 C ATOM 484 CD1 ILE A 32 -15.960 -2.192 -3.429 1.00 0.00 C ATOM 0 H ILE A 32 -15.586 0.800 -6.836 1.00 0.00 H new ATOM 0 HA ILE A 32 -17.975 -0.776 -7.167 1.00 0.00 H new ATOM 0 HB ILE A 32 -17.616 -0.179 -4.323 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -15.804 -2.280 -5.555 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -15.270 -0.764 -4.856 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -18.482 -2.484 -4.106 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -19.459 -1.514 -5.234 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -18.300 -2.709 -5.862 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -14.965 -2.611 -3.281 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -16.160 -1.449 -2.657 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -16.702 -2.988 -3.366 1.00 0.00 H new ATOM 496 N ILE A 33 -19.203 1.229 -5.694 1.00 0.00 N ATOM 497 CA ILE A 33 -19.908 2.480 -5.472 1.00 0.00 C ATOM 498 C ILE A 33 -20.691 2.441 -4.163 1.00 0.00 C ATOM 499 O ILE A 33 -21.583 1.611 -3.986 1.00 0.00 O ATOM 500 CB ILE A 33 -20.874 2.819 -6.629 1.00 0.00 C ATOM 501 CG1 ILE A 33 -20.784 1.778 -7.750 1.00 0.00 C ATOM 502 CG2 ILE A 33 -20.581 4.210 -7.174 1.00 0.00 C ATOM 503 CD1 ILE A 33 -21.355 0.429 -7.370 1.00 0.00 C ATOM 0 H ILE A 33 -19.695 0.403 -5.354 1.00 0.00 H new ATOM 0 HA ILE A 33 -19.146 3.258 -5.421 1.00 0.00 H new ATOM 0 HB ILE A 33 -21.890 2.802 -6.234 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -21.312 2.153 -8.626 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -19.740 1.654 -8.036 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -21.270 4.434 -7.989 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -20.706 4.946 -6.380 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -19.557 4.247 -7.545 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -21.257 -0.257 -8.211 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -20.811 0.032 -6.513 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -22.408 0.539 -7.112 1.00 0.00 H new ATOM 515 N LEU A 34 -20.351 3.344 -3.250 1.00 0.00 N ATOM 516 CA LEU A 34 -21.016 3.418 -1.960 1.00 0.00 C ATOM 517 C LEU A 34 -22.490 3.790 -2.115 1.00 0.00 C ATOM 518 O LEU A 34 -23.284 3.606 -1.193 1.00 0.00 O ATOM 519 CB LEU A 34 -20.313 4.441 -1.067 1.00 0.00 C ATOM 520 CG LEU A 34 -19.783 5.687 -1.783 1.00 0.00 C ATOM 521 CD1 LEU A 34 -20.062 6.937 -0.962 1.00 0.00 C ATOM 522 CD2 LEU A 34 -18.293 5.551 -2.057 1.00 0.00 C ATOM 0 H LEU A 34 -19.615 4.037 -3.383 1.00 0.00 H new ATOM 0 HA LEU A 34 -20.962 2.433 -1.497 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -21.009 4.758 -0.290 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -19.479 3.948 -0.567 1.00 0.00 H new ATOM 0 HG LEU A 34 -20.302 5.781 -2.737 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -19.678 7.811 -1.488 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -21.137 7.044 -0.817 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -19.571 6.852 0.008 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -17.934 6.445 -2.566 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -17.759 5.431 -1.114 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -18.117 4.679 -2.687 1.00 0.00 H new ATOM 534 N SER A 35 -22.850 4.315 -3.282 1.00 0.00 N ATOM 535 CA SER A 35 -24.228 4.712 -3.549 1.00 0.00 C ATOM 536 C SER A 35 -25.189 3.539 -3.366 1.00 0.00 C ATOM 537 O SER A 35 -26.387 3.734 -3.163 1.00 0.00 O ATOM 538 CB SER A 35 -24.353 5.274 -4.968 1.00 0.00 C ATOM 539 OG SER A 35 -23.209 4.964 -5.744 1.00 0.00 O ATOM 0 H SER A 35 -22.207 4.475 -4.057 1.00 0.00 H new ATOM 0 HA SER A 35 -24.497 5.487 -2.831 1.00 0.00 H new ATOM 0 HB2 SER A 35 -25.242 4.865 -5.447 1.00 0.00 H new ATOM 0 HB3 SER A 35 -24.484 6.355 -4.924 1.00 0.00 H new ATOM 0 HG SER A 35 -23.316 5.333 -6.646 1.00 0.00 H new ATOM 545 N ASP A 36 -24.658 2.324 -3.440 1.00 0.00 N ATOM 546 CA ASP A 36 -25.465 1.126 -3.285 1.00 0.00 C ATOM 547 C ASP A 36 -25.229 0.480 -1.923 1.00 0.00 C ATOM 548 O ASP A 36 -26.099 0.508 -1.052 1.00 0.00 O ATOM 549 CB ASP A 36 -25.168 0.117 -4.402 1.00 0.00 C ATOM 550 CG ASP A 36 -23.833 0.352 -5.086 1.00 0.00 C ATOM 551 OD1 ASP A 36 -23.753 1.265 -5.935 1.00 0.00 O ATOM 552 OD2 ASP A 36 -22.868 -0.376 -4.771 1.00 0.00 O ATOM 0 H ASP A 36 -23.668 2.145 -3.607 1.00 0.00 H new ATOM 0 HA ASP A 36 -26.512 1.423 -3.352 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -25.182 -0.890 -3.985 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -25.963 0.165 -5.146 1.00 0.00 H new ATOM 557 N GLU A 37 -24.049 -0.108 -1.747 1.00 0.00 N ATOM 558 CA GLU A 37 -23.701 -0.767 -0.493 1.00 0.00 C ATOM 559 C GLU A 37 -23.785 0.200 0.684 1.00 0.00 C ATOM 560 O GLU A 37 -23.974 -0.215 1.828 1.00 0.00 O ATOM 561 CB GLU A 37 -22.299 -1.366 -0.582 1.00 0.00 C ATOM 562 CG GLU A 37 -22.275 -2.876 -0.439 1.00 0.00 C ATOM 563 CD GLU A 37 -21.724 -3.573 -1.669 1.00 0.00 C ATOM 564 OE1 GLU A 37 -20.492 -3.767 -1.740 1.00 0.00 O ATOM 565 OE2 GLU A 37 -22.524 -3.923 -2.561 1.00 0.00 O ATOM 0 H GLU A 37 -23.318 -0.141 -2.457 1.00 0.00 H new ATOM 0 HA GLU A 37 -24.422 -1.567 -0.324 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -21.856 -1.093 -1.540 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -21.674 -0.926 0.195 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -21.670 -3.145 0.427 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -23.286 -3.234 -0.246 1.00 0.00 H new ATOM 572 N GLY A 38 -23.645 1.487 0.397 1.00 0.00 N ATOM 573 CA GLY A 38 -23.708 2.492 1.443 1.00 0.00 C ATOM 574 C GLY A 38 -22.627 2.315 2.492 1.00 0.00 C ATOM 575 O GLY A 38 -22.715 2.880 3.582 1.00 0.00 O ATOM 0 H GLY A 38 -23.489 1.855 -0.542 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -23.616 3.482 0.996 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -24.685 2.449 1.924 1.00 0.00 H new ATOM 579 N LYS A 39 -21.598 1.543 2.159 1.00 0.00 N ATOM 580 CA LYS A 39 -20.495 1.309 3.064 1.00 0.00 C ATOM 581 C LYS A 39 -19.197 1.168 2.284 1.00 0.00 C ATOM 582 O LYS A 39 -18.815 0.071 1.877 1.00 0.00 O ATOM 583 CB LYS A 39 -20.745 0.055 3.904 1.00 0.00 C ATOM 584 CG LYS A 39 -19.706 -0.167 4.991 1.00 0.00 C ATOM 585 CD LYS A 39 -20.123 -1.276 5.943 1.00 0.00 C ATOM 586 CE LYS A 39 -19.586 -2.626 5.495 1.00 0.00 C ATOM 587 NZ LYS A 39 -20.537 -3.731 5.797 1.00 0.00 N ATOM 0 H LYS A 39 -21.511 1.069 1.260 1.00 0.00 H new ATOM 0 HA LYS A 39 -20.412 2.164 3.736 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -21.730 0.127 4.364 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -20.763 -0.815 3.247 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -18.749 -0.419 4.535 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -19.559 0.757 5.550 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -19.758 -1.053 6.946 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -21.211 -1.317 6.001 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -19.388 -2.600 4.423 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -18.635 -2.821 5.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -20.133 -4.634 5.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -20.707 -3.773 6.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -21.437 -3.559 5.304 1.00 0.00 H new ATOM 601 N MET A 40 -18.523 2.288 2.090 1.00 0.00 N ATOM 602 CA MET A 40 -17.263 2.312 1.372 1.00 0.00 C ATOM 603 C MET A 40 -16.365 3.423 1.902 1.00 0.00 C ATOM 604 O MET A 40 -16.359 4.537 1.378 1.00 0.00 O ATOM 605 CB MET A 40 -17.505 2.501 -0.127 1.00 0.00 C ATOM 606 CG MET A 40 -16.540 1.716 -1.003 1.00 0.00 C ATOM 607 SD MET A 40 -15.340 2.771 -1.838 1.00 0.00 S ATOM 608 CE MET A 40 -16.231 3.177 -3.337 1.00 0.00 C ATOM 0 H MET A 40 -18.832 3.201 2.424 1.00 0.00 H new ATOM 0 HA MET A 40 -16.763 1.356 1.528 1.00 0.00 H new ATOM 0 HB2 MET A 40 -18.525 2.198 -0.363 1.00 0.00 H new ATOM 0 HB3 MET A 40 -17.423 3.561 -0.369 1.00 0.00 H new ATOM 0 HG2 MET A 40 -16.011 0.986 -0.390 1.00 0.00 H new ATOM 0 HG3 MET A 40 -17.106 1.156 -1.748 1.00 0.00 H new ATOM 0 HE1 MET A 40 -15.783 2.651 -4.180 1.00 0.00 H new ATOM 0 HE2 MET A 40 -17.273 2.876 -3.233 1.00 0.00 H new ATOM 0 HE3 MET A 40 -16.179 4.252 -3.511 1.00 0.00 H new ATOM 618 N TYR A 41 -15.609 3.109 2.944 1.00 0.00 N ATOM 619 CA TYR A 41 -14.703 4.073 3.553 1.00 0.00 C ATOM 620 C TYR A 41 -13.527 4.377 2.630 1.00 0.00 C ATOM 621 O TYR A 41 -13.413 3.807 1.545 1.00 0.00 O ATOM 622 CB TYR A 41 -14.196 3.549 4.895 1.00 0.00 C ATOM 623 CG TYR A 41 -14.594 4.411 6.072 1.00 0.00 C ATOM 624 CD1 TYR A 41 -15.896 4.873 6.211 1.00 0.00 C ATOM 625 CD2 TYR A 41 -13.666 4.763 7.044 1.00 0.00 C ATOM 626 CE1 TYR A 41 -16.263 5.662 7.285 1.00 0.00 C ATOM 627 CE2 TYR A 41 -14.025 5.551 8.121 1.00 0.00 C ATOM 628 CZ TYR A 41 -15.324 5.998 8.237 1.00 0.00 C ATOM 629 OH TYR A 41 -15.685 6.782 9.308 1.00 0.00 O ATOM 0 H TYR A 41 -15.605 2.190 3.387 1.00 0.00 H new ATOM 0 HA TYR A 41 -15.255 4.998 3.719 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -14.578 2.540 5.049 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -13.109 3.476 4.860 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -16.634 4.611 5.467 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -12.647 4.415 6.957 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -17.280 6.013 7.378 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -13.291 5.815 8.868 1.00 0.00 H new ATOM 0 HH TYR A 41 -14.907 6.925 9.886 1.00 0.00 H new ATOM 639 N GLY A 42 -12.655 5.279 3.069 1.00 0.00 N ATOM 640 CA GLY A 42 -11.499 5.643 2.270 1.00 0.00 C ATOM 641 C GLY A 42 -10.601 4.457 1.979 1.00 0.00 C ATOM 642 O GLY A 42 -10.322 3.650 2.866 1.00 0.00 O ATOM 0 H GLY A 42 -12.728 5.764 3.963 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -11.834 6.081 1.330 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -10.926 6.409 2.792 1.00 0.00 H new ATOM 646 N ARG A 43 -10.147 4.350 0.734 1.00 0.00 N ATOM 647 CA ARG A 43 -9.277 3.253 0.330 1.00 0.00 C ATOM 648 C ARG A 43 -7.956 3.291 1.091 1.00 0.00 C ATOM 649 O ARG A 43 -7.308 2.262 1.284 1.00 0.00 O ATOM 650 CB ARG A 43 -9.020 3.306 -1.174 1.00 0.00 C ATOM 651 CG ARG A 43 -9.535 2.087 -1.922 1.00 0.00 C ATOM 652 CD ARG A 43 -8.782 0.829 -1.521 1.00 0.00 C ATOM 653 NE ARG A 43 -7.734 0.488 -2.480 1.00 0.00 N ATOM 654 CZ ARG A 43 -7.168 -0.714 -2.564 1.00 0.00 C ATOM 655 NH1 ARG A 43 -7.546 -1.692 -1.750 1.00 0.00 N ATOM 656 NH2 ARG A 43 -6.221 -0.939 -3.464 1.00 0.00 N ATOM 0 H ARG A 43 -10.368 5.010 -0.012 1.00 0.00 H new ATOM 0 HA ARG A 43 -9.781 2.317 0.571 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -9.491 4.199 -1.584 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -7.948 3.403 -1.348 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -10.598 1.956 -1.719 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -9.433 2.247 -2.995 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -8.339 0.971 -0.535 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -9.483 -0.002 -1.439 1.00 0.00 H new ATOM 0 HE ARG A 43 -7.417 1.214 -3.123 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -8.274 -1.525 -1.055 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -7.109 -2.611 -1.819 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -5.926 -0.191 -4.092 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -5.787 -1.860 -3.529 1.00 0.00 H new ATOM 670 N ASN A 44 -7.563 4.483 1.519 1.00 0.00 N ATOM 671 CA ASN A 44 -6.321 4.660 2.258 1.00 0.00 C ATOM 672 C ASN A 44 -6.427 4.067 3.657 1.00 0.00 C ATOM 673 O ASN A 44 -5.432 3.633 4.238 1.00 0.00 O ATOM 674 CB ASN A 44 -5.959 6.142 2.340 1.00 0.00 C ATOM 675 CG ASN A 44 -4.639 6.457 1.664 1.00 0.00 C ATOM 676 OD1 ASN A 44 -4.231 5.775 0.724 1.00 0.00 O ATOM 677 ND2 ASN A 44 -3.965 7.497 2.140 1.00 0.00 N ATOM 0 H ASN A 44 -8.088 5.344 1.366 1.00 0.00 H new ATOM 0 HA ASN A 44 -5.532 4.132 1.723 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -6.750 6.732 1.877 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -5.908 6.443 3.386 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -3.071 7.759 1.725 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -4.341 8.034 2.921 1.00 0.00 H new ATOM 684 N GLU A 45 -7.639 4.050 4.189 1.00 0.00 N ATOM 685 CA GLU A 45 -7.881 3.508 5.516 1.00 0.00 C ATOM 686 C GLU A 45 -7.817 1.985 5.504 1.00 0.00 C ATOM 687 O GLU A 45 -7.594 1.355 6.537 1.00 0.00 O ATOM 688 CB GLU A 45 -9.242 3.970 6.041 1.00 0.00 C ATOM 689 CG GLU A 45 -9.498 5.455 5.844 1.00 0.00 C ATOM 690 CD GLU A 45 -10.689 5.952 6.639 1.00 0.00 C ATOM 691 OE1 GLU A 45 -10.624 5.923 7.886 1.00 0.00 O ATOM 692 OE2 GLU A 45 -11.687 6.370 6.015 1.00 0.00 O ATOM 0 H GLU A 45 -8.472 4.406 3.721 1.00 0.00 H new ATOM 0 HA GLU A 45 -7.100 3.880 6.179 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -10.027 3.405 5.538 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -9.311 3.736 7.103 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.610 6.015 6.138 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.664 5.654 4.785 1.00 0.00 H new ATOM 699 N LEU A 46 -8.016 1.399 4.328 1.00 0.00 N ATOM 700 CA LEU A 46 -7.984 -0.047 4.179 1.00 0.00 C ATOM 701 C LEU A 46 -6.555 -0.566 4.142 1.00 0.00 C ATOM 702 O LEU A 46 -6.267 -1.658 4.633 1.00 0.00 O ATOM 703 CB LEU A 46 -8.729 -0.470 2.913 1.00 0.00 C ATOM 704 CG LEU A 46 -9.844 -1.494 3.127 1.00 0.00 C ATOM 705 CD1 LEU A 46 -10.504 -1.845 1.803 1.00 0.00 C ATOM 706 CD2 LEU A 46 -9.296 -2.745 3.798 1.00 0.00 C ATOM 0 H LEU A 46 -8.201 1.907 3.463 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.481 -0.482 5.046 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -9.157 0.418 2.448 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.008 -0.883 2.207 1.00 0.00 H new ATOM 0 HG LEU A 46 -10.597 -1.054 3.781 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -11.295 -2.575 1.973 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -10.930 -0.945 1.359 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -9.761 -2.267 1.126 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -10.103 -3.463 3.943 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.525 -3.188 3.168 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -8.867 -2.481 4.765 1.00 0.00 H new ATOM 718 N ILE A 47 -5.665 0.221 3.561 1.00 0.00 N ATOM 719 CA ILE A 47 -4.265 -0.163 3.468 1.00 0.00 C ATOM 720 C ILE A 47 -3.553 0.091 4.785 1.00 0.00 C ATOM 721 O ILE A 47 -2.617 -0.622 5.146 1.00 0.00 O ATOM 722 CB ILE A 47 -3.509 0.566 2.326 1.00 0.00 C ATOM 723 CG1 ILE A 47 -4.308 1.760 1.795 1.00 0.00 C ATOM 724 CG2 ILE A 47 -3.198 -0.403 1.195 1.00 0.00 C ATOM 725 CD1 ILE A 47 -3.585 2.539 0.719 1.00 0.00 C ATOM 0 H ILE A 47 -5.885 1.127 3.148 1.00 0.00 H new ATOM 0 HA ILE A 47 -4.258 -1.228 3.237 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.574 0.946 2.737 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.258 1.403 1.398 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -4.540 2.429 2.623 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -2.668 0.123 0.401 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -2.575 -1.214 1.572 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -4.128 -0.812 0.801 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -4.209 3.370 0.390 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -2.647 2.926 1.118 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -3.377 1.884 -0.127 1.00 0.00 H new ATOM 737 N ALA A 48 -4.012 1.103 5.504 1.00 0.00 N ATOM 738 CA ALA A 48 -3.431 1.443 6.789 1.00 0.00 C ATOM 739 C ALA A 48 -3.947 0.510 7.873 1.00 0.00 C ATOM 740 O ALA A 48 -3.281 0.288 8.884 1.00 0.00 O ATOM 741 CB ALA A 48 -3.720 2.894 7.140 1.00 0.00 C ATOM 0 H ALA A 48 -4.786 1.703 5.218 1.00 0.00 H new ATOM 0 HA ALA A 48 -2.350 1.320 6.722 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -3.276 3.130 8.107 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.294 3.545 6.377 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -4.798 3.049 7.188 1.00 0.00 H new ATOM 747 N ARG A 49 -5.129 -0.051 7.649 1.00 0.00 N ATOM 748 CA ARG A 49 -5.716 -0.976 8.601 1.00 0.00 C ATOM 749 C ARG A 49 -4.989 -2.310 8.543 1.00 0.00 C ATOM 750 O ARG A 49 -4.906 -3.031 9.538 1.00 0.00 O ATOM 751 CB ARG A 49 -7.209 -1.168 8.321 1.00 0.00 C ATOM 752 CG ARG A 49 -8.111 -0.592 9.402 1.00 0.00 C ATOM 753 CD ARG A 49 -7.809 0.876 9.657 1.00 0.00 C ATOM 754 NE ARG A 49 -9.011 1.629 10.005 1.00 0.00 N ATOM 755 CZ ARG A 49 -10.029 1.828 9.171 1.00 0.00 C ATOM 756 NH1 ARG A 49 -9.995 1.330 7.941 1.00 0.00 N ATOM 757 NH2 ARG A 49 -11.085 2.525 9.568 1.00 0.00 N ATOM 0 H ARG A 49 -5.696 0.120 6.818 1.00 0.00 H new ATOM 0 HA ARG A 49 -5.610 -0.559 9.602 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -7.454 -0.700 7.368 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -7.416 -2.233 8.216 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -9.154 -0.704 9.105 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -7.981 -1.157 10.325 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -7.081 0.962 10.464 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -7.353 1.312 8.768 1.00 0.00 H new ATOM 0 HE ARG A 49 -9.074 2.026 10.943 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -9.186 0.792 7.631 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -10.778 1.486 7.306 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -11.117 2.909 10.513 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -11.865 2.677 8.929 1.00 0.00 H new ATOM 771 N TYR A 50 -4.449 -2.622 7.372 1.00 0.00 N ATOM 772 CA TYR A 50 -3.711 -3.858 7.180 1.00 0.00 C ATOM 773 C TYR A 50 -2.402 -3.814 7.939 1.00 0.00 C ATOM 774 O TYR A 50 -2.093 -4.706 8.729 1.00 0.00 O ATOM 775 CB TYR A 50 -3.442 -4.093 5.704 1.00 0.00 C ATOM 776 CG TYR A 50 -3.222 -5.546 5.351 1.00 0.00 C ATOM 777 CD1 TYR A 50 -1.969 -6.127 5.492 1.00 0.00 C ATOM 778 CD2 TYR A 50 -4.264 -6.335 4.880 1.00 0.00 C ATOM 779 CE1 TYR A 50 -1.758 -7.453 5.173 1.00 0.00 C ATOM 780 CE2 TYR A 50 -4.061 -7.664 4.559 1.00 0.00 C ATOM 781 CZ TYR A 50 -2.807 -8.218 4.707 1.00 0.00 C ATOM 782 OH TYR A 50 -2.601 -9.541 4.388 1.00 0.00 O ATOM 0 H TYR A 50 -4.510 -2.033 6.541 1.00 0.00 H new ATOM 0 HA TYR A 50 -4.316 -4.680 7.563 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -4.283 -3.711 5.125 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -2.564 -3.519 5.408 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -1.146 -5.531 5.857 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -5.247 -5.904 4.763 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -0.777 -7.889 5.288 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -4.880 -8.265 4.194 1.00 0.00 H new ATOM 0 HH TYR A 50 -3.426 -10.047 4.541 1.00 0.00 H new ATOM 792 N ILE A 51 -1.645 -2.763 7.697 1.00 0.00 N ATOM 793 CA ILE A 51 -0.369 -2.579 8.356 1.00 0.00 C ATOM 794 C ILE A 51 -0.569 -2.357 9.845 1.00 0.00 C ATOM 795 O ILE A 51 0.233 -2.797 10.669 1.00 0.00 O ATOM 796 CB ILE A 51 0.416 -1.394 7.764 1.00 0.00 C ATOM 797 CG1 ILE A 51 -0.524 -0.279 7.299 1.00 0.00 C ATOM 798 CG2 ILE A 51 1.294 -1.867 6.616 1.00 0.00 C ATOM 799 CD1 ILE A 51 0.026 1.111 7.534 1.00 0.00 C ATOM 0 H ILE A 51 -1.894 -2.019 7.045 1.00 0.00 H new ATOM 0 HA ILE A 51 0.211 -3.488 8.194 1.00 0.00 H new ATOM 0 HB ILE A 51 1.052 -0.984 8.549 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -0.727 -0.406 6.236 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.477 -0.377 7.819 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.844 -1.020 6.206 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.998 -2.615 6.981 1.00 0.00 H new ATOM 0 HG23 ILE A 51 0.670 -2.306 5.837 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -0.692 1.851 7.181 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.203 1.257 8.600 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.964 1.228 6.991 1.00 0.00 H new ATOM 811 N LYS A 52 -1.654 -1.677 10.178 1.00 0.00 N ATOM 812 CA LYS A 52 -1.986 -1.395 11.564 1.00 0.00 C ATOM 813 C LYS A 52 -2.469 -2.655 12.272 1.00 0.00 C ATOM 814 O LYS A 52 -2.352 -2.778 13.492 1.00 0.00 O ATOM 815 CB LYS A 52 -3.058 -0.306 11.644 1.00 0.00 C ATOM 816 CG LYS A 52 -2.523 1.095 11.394 1.00 0.00 C ATOM 817 CD LYS A 52 -2.442 1.901 12.680 1.00 0.00 C ATOM 818 CE LYS A 52 -3.817 2.117 13.291 1.00 0.00 C ATOM 819 NZ LYS A 52 -3.793 1.989 14.775 1.00 0.00 N ATOM 0 H LYS A 52 -2.323 -1.308 9.502 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.084 -1.041 12.064 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.839 -0.523 10.915 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -3.523 -0.338 12.629 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.534 1.032 10.941 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -3.168 1.610 10.682 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -1.802 1.383 13.395 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -1.977 2.866 12.477 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -4.184 3.106 13.018 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -4.517 1.392 12.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -4.750 2.143 15.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -3.467 1.036 15.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -3.145 2.698 15.174 1.00 0.00 H new ATOM 833 N LEU A 53 -3.014 -3.588 11.499 1.00 0.00 N ATOM 834 CA LEU A 53 -3.516 -4.837 12.049 1.00 0.00 C ATOM 835 C LEU A 53 -2.409 -5.881 12.149 1.00 0.00 C ATOM 836 O LEU A 53 -2.471 -6.789 12.978 1.00 0.00 O ATOM 837 CB LEU A 53 -4.663 -5.372 11.190 1.00 0.00 C ATOM 838 CG LEU A 53 -5.246 -6.709 11.650 1.00 0.00 C ATOM 839 CD1 LEU A 53 -6.735 -6.775 11.345 1.00 0.00 C ATOM 840 CD2 LEU A 53 -4.513 -7.866 10.987 1.00 0.00 C ATOM 0 H LEU A 53 -3.118 -3.500 10.488 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.886 -4.635 13.054 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.462 -4.631 11.175 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.309 -5.481 10.165 1.00 0.00 H new ATOM 0 HG LEU A 53 -5.113 -6.790 12.729 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -7.133 -7.733 11.679 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -7.249 -5.967 11.866 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -6.891 -6.672 10.271 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -4.941 -8.810 11.326 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.615 -7.789 9.905 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.457 -7.829 11.255 1.00 0.00 H new ATOM 852 N ARG A 54 -1.401 -5.748 11.297 1.00 0.00 N ATOM 853 CA ARG A 54 -0.283 -6.680 11.282 1.00 0.00 C ATOM 854 C ARG A 54 0.664 -6.423 12.444 1.00 0.00 C ATOM 855 O ARG A 54 0.901 -7.298 13.277 1.00 0.00 O ATOM 856 CB ARG A 54 0.476 -6.578 9.958 1.00 0.00 C ATOM 857 CG ARG A 54 1.099 -7.891 9.512 1.00 0.00 C ATOM 858 CD ARG A 54 2.554 -7.990 9.942 1.00 0.00 C ATOM 859 NE ARG A 54 3.003 -9.377 10.038 1.00 0.00 N ATOM 860 CZ ARG A 54 4.283 -9.743 10.046 1.00 0.00 C ATOM 861 NH1 ARG A 54 5.242 -8.829 9.963 1.00 0.00 N ATOM 862 NH2 ARG A 54 4.604 -11.026 10.137 1.00 0.00 N ATOM 0 H ARG A 54 -1.335 -5.001 10.606 1.00 0.00 H new ATOM 0 HA ARG A 54 -0.686 -7.687 11.387 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -0.206 -6.227 9.184 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.261 -5.828 10.055 1.00 0.00 H new ATOM 0 HG2 ARG A 54 0.536 -8.724 9.933 1.00 0.00 H new ATOM 0 HG3 ARG A 54 1.032 -7.977 8.427 1.00 0.00 H new ATOM 0 HD2 ARG A 54 3.180 -7.455 9.228 1.00 0.00 H new ATOM 0 HD3 ARG A 54 2.681 -7.500 10.907 1.00 0.00 H new ATOM 0 HE ARG A 54 2.294 -10.108 10.103 1.00 0.00 H new ATOM 0 HH11 ARG A 54 5.000 -7.841 9.893 1.00 0.00 H new ATOM 0 HH12 ARG A 54 6.221 -9.115 9.970 1.00 0.00 H new ATOM 0 HH21 ARG A 54 3.871 -11.732 10.201 1.00 0.00 H new ATOM 0 HH22 ARG A 54 5.584 -11.307 10.143 1.00 0.00 H new ATOM 876 N THR A 55 1.203 -5.219 12.485 1.00 0.00 N ATOM 877 CA THR A 55 2.132 -4.825 13.533 1.00 0.00 C ATOM 878 C THR A 55 1.397 -4.505 14.831 1.00 0.00 C ATOM 879 O THR A 55 1.968 -4.591 15.918 1.00 0.00 O ATOM 880 CB THR A 55 2.958 -3.617 13.086 1.00 0.00 C ATOM 881 OG1 THR A 55 2.314 -2.933 12.026 1.00 0.00 O ATOM 882 CG2 THR A 55 4.349 -3.984 12.616 1.00 0.00 C ATOM 0 H THR A 55 1.012 -4.489 11.799 1.00 0.00 H new ATOM 0 HA THR A 55 2.801 -5.665 13.719 1.00 0.00 H new ATOM 0 HB THR A 55 3.045 -2.984 13.969 1.00 0.00 H new ATOM 0 HG1 THR A 55 2.152 -2.003 12.288 1.00 0.00 H new ATOM 0 HG21 THR A 55 4.881 -3.082 12.314 1.00 0.00 H new ATOM 0 HG22 THR A 55 4.891 -4.470 13.427 1.00 0.00 H new ATOM 0 HG23 THR A 55 4.279 -4.665 11.768 1.00 0.00 H new ATOM 890 N GLY A 56 0.129 -4.135 14.707 1.00 0.00 N ATOM 891 CA GLY A 56 -0.667 -3.807 15.873 1.00 0.00 C ATOM 892 C GLY A 56 -0.282 -2.477 16.499 1.00 0.00 C ATOM 893 O GLY A 56 -0.802 -2.111 17.553 1.00 0.00 O ATOM 0 H GLY A 56 -0.363 -4.056 13.817 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -1.720 -3.779 15.591 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -0.557 -4.597 16.616 1.00 0.00 H new ATOM 897 N LYS A 57 0.628 -1.752 15.852 1.00 0.00 N ATOM 898 CA LYS A 57 1.073 -0.462 16.355 1.00 0.00 C ATOM 899 C LYS A 57 1.877 0.287 15.296 1.00 0.00 C ATOM 900 O LYS A 57 3.103 0.189 15.247 1.00 0.00 O ATOM 901 CB LYS A 57 1.911 -0.651 17.614 1.00 0.00 C ATOM 902 CG LYS A 57 1.527 0.285 18.748 1.00 0.00 C ATOM 903 CD LYS A 57 1.937 1.718 18.451 1.00 0.00 C ATOM 904 CE LYS A 57 1.796 2.604 19.679 1.00 0.00 C ATOM 905 NZ LYS A 57 0.467 3.273 19.731 1.00 0.00 N ATOM 0 H LYS A 57 1.069 -2.039 14.978 1.00 0.00 H new ATOM 0 HA LYS A 57 0.193 0.132 16.599 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.811 -1.681 17.955 1.00 0.00 H new ATOM 0 HB3 LYS A 57 2.962 -0.497 17.367 1.00 0.00 H new ATOM 0 HG2 LYS A 57 0.450 0.240 18.910 1.00 0.00 H new ATOM 0 HG3 LYS A 57 2.002 -0.046 19.671 1.00 0.00 H new ATOM 0 HD2 LYS A 57 2.970 1.737 18.104 1.00 0.00 H new ATOM 0 HD3 LYS A 57 1.322 2.114 17.643 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.936 2.004 20.578 1.00 0.00 H new ATOM 0 HE3 LYS A 57 2.582 3.359 19.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 0.411 3.868 20.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.344 3.866 18.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -0.283 2.553 19.761 1.00 0.00 H new ATOM 919 N THR A 58 1.176 1.036 14.452 1.00 0.00 N ATOM 920 CA THR A 58 1.816 1.804 13.397 1.00 0.00 C ATOM 921 C THR A 58 1.032 3.076 13.094 1.00 0.00 C ATOM 922 O THR A 58 -0.090 3.254 13.567 1.00 0.00 O ATOM 923 CB THR A 58 1.962 0.965 12.131 1.00 0.00 C ATOM 924 OG1 THR A 58 1.686 -0.400 12.391 1.00 0.00 O ATOM 925 CG2 THR A 58 3.343 1.047 11.514 1.00 0.00 C ATOM 0 H THR A 58 0.160 1.126 14.481 1.00 0.00 H new ATOM 0 HA THR A 58 2.809 2.086 13.747 1.00 0.00 H new ATOM 0 HB THR A 58 1.241 1.382 11.428 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.020 -0.727 11.751 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.378 0.428 10.618 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.562 2.081 11.249 1.00 0.00 H new ATOM 0 HG23 THR A 58 4.083 0.691 12.230 1.00 0.00 H new ATOM 933 N ARG A 59 1.625 3.948 12.287 1.00 0.00 N ATOM 934 CA ARG A 59 0.985 5.189 11.899 1.00 0.00 C ATOM 935 C ARG A 59 1.548 5.670 10.569 1.00 0.00 C ATOM 936 O ARG A 59 2.211 6.705 10.493 1.00 0.00 O ATOM 937 CB ARG A 59 1.184 6.257 12.977 1.00 0.00 C ATOM 938 CG ARG A 59 0.027 6.353 13.959 1.00 0.00 C ATOM 939 CD ARG A 59 -0.925 7.479 13.591 1.00 0.00 C ATOM 940 NE ARG A 59 -2.105 6.989 12.883 1.00 0.00 N ATOM 941 CZ ARG A 59 -3.149 6.423 13.485 1.00 0.00 C ATOM 942 NH1 ARG A 59 -3.163 6.274 14.804 1.00 0.00 N ATOM 943 NH2 ARG A 59 -4.182 6.005 12.766 1.00 0.00 N ATOM 0 H ARG A 59 2.554 3.813 11.889 1.00 0.00 H new ATOM 0 HA ARG A 59 -0.084 5.010 11.787 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.100 6.040 13.527 1.00 0.00 H new ATOM 0 HB3 ARG A 59 1.323 7.225 12.496 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -0.516 5.408 13.977 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.415 6.517 14.964 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -1.236 8.001 14.496 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -0.404 8.205 12.967 1.00 0.00 H new ATOM 0 HE ARG A 59 -2.131 7.086 11.868 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -2.371 6.594 15.362 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -3.966 5.840 15.260 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -4.176 6.117 11.752 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -4.982 5.571 13.227 1.00 0.00 H new ATOM 957 N THR A 60 1.273 4.903 9.526 1.00 0.00 N ATOM 958 CA THR A 60 1.735 5.224 8.189 1.00 0.00 C ATOM 959 C THR A 60 0.650 4.931 7.157 1.00 0.00 C ATOM 960 O THR A 60 0.531 3.806 6.673 1.00 0.00 O ATOM 961 CB THR A 60 3.004 4.436 7.858 1.00 0.00 C ATOM 962 OG1 THR A 60 3.329 3.539 8.905 1.00 0.00 O ATOM 963 CG2 THR A 60 4.210 5.319 7.619 1.00 0.00 C ATOM 0 H THR A 60 0.725 4.044 9.584 1.00 0.00 H new ATOM 0 HA THR A 60 1.965 6.289 8.156 1.00 0.00 H new ATOM 0 HB THR A 60 2.777 3.899 6.937 1.00 0.00 H new ATOM 0 HG1 THR A 60 4.142 3.045 8.672 1.00 0.00 H new ATOM 0 HG21 THR A 60 5.076 4.698 7.389 1.00 0.00 H new ATOM 0 HG22 THR A 60 4.011 5.988 6.782 1.00 0.00 H new ATOM 0 HG23 THR A 60 4.413 5.908 8.514 1.00 0.00 H new ATOM 971 N ARG A 61 -0.143 5.946 6.826 1.00 0.00 N ATOM 972 CA ARG A 61 -1.215 5.789 5.858 1.00 0.00 C ATOM 973 C ARG A 61 -0.901 6.531 4.569 1.00 0.00 C ATOM 974 O ARG A 61 -1.210 6.061 3.474 1.00 0.00 O ATOM 975 CB ARG A 61 -2.539 6.284 6.443 1.00 0.00 C ATOM 976 CG ARG A 61 -3.720 6.121 5.501 1.00 0.00 C ATOM 977 CD ARG A 61 -4.997 6.679 6.108 1.00 0.00 C ATOM 978 NE ARG A 61 -5.494 5.845 7.200 1.00 0.00 N ATOM 979 CZ ARG A 61 -6.579 6.131 7.916 1.00 0.00 C ATOM 980 NH1 ARG A 61 -7.283 7.227 7.660 1.00 0.00 N ATOM 981 NH2 ARG A 61 -6.962 5.318 8.892 1.00 0.00 N ATOM 0 H ARG A 61 -0.060 6.885 7.216 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.306 4.728 5.626 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.744 5.742 7.366 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.439 7.337 6.707 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -3.510 6.631 4.561 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -3.858 5.065 5.268 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -4.812 7.688 6.477 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.762 6.758 5.335 1.00 0.00 H new ATOM 0 HE ARG A 61 -4.979 4.994 7.427 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -6.993 7.856 6.911 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -8.113 7.440 8.212 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -6.425 4.474 9.093 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -7.793 5.537 9.441 1.00 0.00 H new ATOM 995 N LYS A 62 -0.282 7.691 4.710 1.00 0.00 N ATOM 996 CA LYS A 62 0.083 8.506 3.563 1.00 0.00 C ATOM 997 C LYS A 62 1.246 7.882 2.806 1.00 0.00 C ATOM 998 O LYS A 62 1.357 8.021 1.588 1.00 0.00 O ATOM 999 CB LYS A 62 0.438 9.923 4.008 1.00 0.00 C ATOM 1000 CG LYS A 62 -0.413 10.998 3.352 1.00 0.00 C ATOM 1001 CD LYS A 62 -1.721 11.205 4.098 1.00 0.00 C ATOM 1002 CE LYS A 62 -2.750 11.912 3.231 1.00 0.00 C ATOM 1003 NZ LYS A 62 -3.599 12.844 4.024 1.00 0.00 N ATOM 0 H LYS A 62 -0.021 8.091 5.611 1.00 0.00 H new ATOM 0 HA LYS A 62 -0.775 8.555 2.892 1.00 0.00 H new ATOM 0 HB2 LYS A 62 0.327 9.994 5.090 1.00 0.00 H new ATOM 0 HB3 LYS A 62 1.487 10.114 3.782 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.142 11.935 3.322 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.622 10.718 2.319 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -2.115 10.241 4.419 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.539 11.791 4.999 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -2.241 12.467 2.443 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -3.383 11.171 2.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -4.287 13.306 3.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -4.105 12.311 4.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -2.998 13.566 4.470 1.00 0.00 H new ATOM 1017 N GLN A 63 2.104 7.188 3.538 1.00 0.00 N ATOM 1018 CA GLN A 63 3.255 6.531 2.944 1.00 0.00 C ATOM 1019 C GLN A 63 2.830 5.277 2.190 1.00 0.00 C ATOM 1020 O GLN A 63 3.504 4.842 1.255 1.00 0.00 O ATOM 1021 CB GLN A 63 4.284 6.183 4.018 1.00 0.00 C ATOM 1022 CG GLN A 63 5.604 6.919 3.858 1.00 0.00 C ATOM 1023 CD GLN A 63 5.573 8.309 4.463 1.00 0.00 C ATOM 1024 OE1 GLN A 63 4.512 8.919 4.593 1.00 0.00 O ATOM 1025 NE2 GLN A 63 6.742 8.817 4.838 1.00 0.00 N ATOM 0 H GLN A 63 2.023 7.066 4.547 1.00 0.00 H new ATOM 0 HA GLN A 63 3.713 7.220 2.234 1.00 0.00 H new ATOM 0 HB2 GLN A 63 3.866 6.413 4.998 1.00 0.00 H new ATOM 0 HB3 GLN A 63 4.471 5.109 3.996 1.00 0.00 H new ATOM 0 HG2 GLN A 63 6.398 6.340 4.328 1.00 0.00 H new ATOM 0 HG3 GLN A 63 5.848 6.993 2.798 1.00 0.00 H new ATOM 0 HE21 GLN A 63 7.597 8.276 4.712 1.00 0.00 H new ATOM 0 HE22 GLN A 63 6.784 9.748 5.252 1.00 0.00 H new ATOM 1034 N VAL A 64 1.707 4.701 2.603 1.00 0.00 N ATOM 1035 CA VAL A 64 1.188 3.499 1.970 1.00 0.00 C ATOM 1036 C VAL A 64 0.460 3.825 0.672 1.00 0.00 C ATOM 1037 O VAL A 64 0.284 2.957 -0.182 1.00 0.00 O ATOM 1038 CB VAL A 64 0.231 2.732 2.903 1.00 0.00 C ATOM 1039 CG1 VAL A 64 -0.160 1.397 2.288 1.00 0.00 C ATOM 1040 CG2 VAL A 64 0.863 2.530 4.271 1.00 0.00 C ATOM 0 H VAL A 64 1.139 5.049 3.375 1.00 0.00 H new ATOM 0 HA VAL A 64 2.050 2.869 1.751 1.00 0.00 H new ATOM 0 HB VAL A 64 -0.673 3.327 3.031 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.836 0.870 2.962 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -0.659 1.568 1.334 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.734 0.795 2.127 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.171 1.987 4.915 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.785 1.959 4.165 1.00 0.00 H new ATOM 0 HG23 VAL A 64 1.086 3.500 4.715 1.00 0.00 H new ATOM 1050 N SER A 65 0.047 5.078 0.520 1.00 0.00 N ATOM 1051 CA SER A 65 -0.647 5.504 -0.682 1.00 0.00 C ATOM 1052 C SER A 65 0.360 5.890 -1.749 1.00 0.00 C ATOM 1053 O SER A 65 0.133 5.699 -2.943 1.00 0.00 O ATOM 1054 CB SER A 65 -1.580 6.678 -0.381 1.00 0.00 C ATOM 1055 OG SER A 65 -2.524 6.860 -1.423 1.00 0.00 O ATOM 0 H SER A 65 0.182 5.813 1.214 1.00 0.00 H new ATOM 0 HA SER A 65 -1.252 4.675 -1.048 1.00 0.00 H new ATOM 0 HB2 SER A 65 -2.102 6.500 0.559 1.00 0.00 H new ATOM 0 HB3 SER A 65 -0.994 7.588 -0.253 1.00 0.00 H new ATOM 0 HG SER A 65 -3.407 6.563 -1.120 1.00 0.00 H new ATOM 1061 N SER A 66 1.481 6.422 -1.294 1.00 0.00 N ATOM 1062 CA SER A 66 2.555 6.830 -2.177 1.00 0.00 C ATOM 1063 C SER A 66 3.254 5.612 -2.757 1.00 0.00 C ATOM 1064 O SER A 66 3.733 5.630 -3.891 1.00 0.00 O ATOM 1065 CB SER A 66 3.549 7.690 -1.412 1.00 0.00 C ATOM 1066 OG SER A 66 3.904 8.847 -2.149 1.00 0.00 O ATOM 0 H SER A 66 1.670 6.582 -0.305 1.00 0.00 H new ATOM 0 HA SER A 66 2.136 7.412 -2.998 1.00 0.00 H new ATOM 0 HB2 SER A 66 3.118 7.984 -0.455 1.00 0.00 H new ATOM 0 HB3 SER A 66 4.444 7.107 -1.193 1.00 0.00 H new ATOM 0 HG SER A 66 4.542 9.381 -1.632 1.00 0.00 H new ATOM 1072 N HIS A 67 3.308 4.554 -1.961 1.00 0.00 N ATOM 1073 CA HIS A 67 3.948 3.314 -2.375 1.00 0.00 C ATOM 1074 C HIS A 67 3.151 2.624 -3.472 1.00 0.00 C ATOM 1075 O HIS A 67 3.718 1.988 -4.360 1.00 0.00 O ATOM 1076 CB HIS A 67 4.117 2.376 -1.179 1.00 0.00 C ATOM 1077 CG HIS A 67 5.043 1.230 -1.443 1.00 0.00 C ATOM 1078 ND1 HIS A 67 6.299 1.388 -1.991 1.00 0.00 N ATOM 1079 CD2 HIS A 67 4.892 -0.099 -1.231 1.00 0.00 C ATOM 1080 CE1 HIS A 67 6.879 0.206 -2.105 1.00 0.00 C ATOM 1081 NE2 HIS A 67 6.047 -0.712 -1.651 1.00 0.00 N ATOM 0 H HIS A 67 2.914 4.530 -1.020 1.00 0.00 H new ATOM 0 HA HIS A 67 4.932 3.562 -2.773 1.00 0.00 H new ATOM 0 HB2 HIS A 67 4.492 2.947 -0.330 1.00 0.00 H new ATOM 0 HB3 HIS A 67 3.140 1.985 -0.894 1.00 0.00 H new ATOM 0 HD2 HIS A 67 4.025 -0.586 -0.810 1.00 0.00 H new ATOM 0 HE1 HIS A 67 7.866 0.023 -2.502 1.00 0.00 H new ATOM 0 HE2 HIS A 67 6.232 -1.715 -1.617 1.00 0.00 H new ATOM 1090 N ILE A 68 1.835 2.756 -3.407 1.00 0.00 N ATOM 1091 CA ILE A 68 0.962 2.147 -4.399 1.00 0.00 C ATOM 1092 C ILE A 68 1.035 2.897 -5.722 1.00 0.00 C ATOM 1093 O ILE A 68 0.798 2.325 -6.786 1.00 0.00 O ATOM 1094 CB ILE A 68 -0.503 2.101 -3.922 1.00 0.00 C ATOM 1095 CG1 ILE A 68 -0.591 1.477 -2.529 1.00 0.00 C ATOM 1096 CG2 ILE A 68 -1.359 1.319 -4.908 1.00 0.00 C ATOM 1097 CD1 ILE A 68 -1.764 1.980 -1.717 1.00 0.00 C ATOM 0 H ILE A 68 1.348 3.279 -2.679 1.00 0.00 H new ATOM 0 HA ILE A 68 1.313 1.125 -4.541 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.881 3.122 -3.869 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -0.665 0.394 -2.628 1.00 0.00 H new ATOM 0 HG13 ILE A 68 0.332 1.685 -1.987 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.390 1.296 -4.556 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -1.320 1.800 -5.885 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -0.981 0.300 -4.990 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -1.765 1.496 -0.741 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -1.680 3.059 -1.587 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -2.693 1.748 -2.238 1.00 0.00 H new ATOM 1109 N GLN A 69 1.369 4.178 -5.647 1.00 0.00 N ATOM 1110 CA GLN A 69 1.480 5.008 -6.835 1.00 0.00 C ATOM 1111 C GLN A 69 2.767 4.702 -7.588 1.00 0.00 C ATOM 1112 O GLN A 69 2.833 4.839 -8.809 1.00 0.00 O ATOM 1113 CB GLN A 69 1.427 6.490 -6.459 1.00 0.00 C ATOM 1114 CG GLN A 69 0.107 6.912 -5.836 1.00 0.00 C ATOM 1115 CD GLN A 69 -0.382 8.250 -6.355 1.00 0.00 C ATOM 1116 OE1 GLN A 69 0.001 8.685 -7.440 1.00 0.00 O ATOM 1117 NE2 GLN A 69 -1.234 8.910 -5.579 1.00 0.00 N ATOM 0 H GLN A 69 1.568 4.665 -4.773 1.00 0.00 H new ATOM 0 HA GLN A 69 0.637 4.782 -7.488 1.00 0.00 H new ATOM 0 HB2 GLN A 69 2.235 6.708 -5.761 1.00 0.00 H new ATOM 0 HB3 GLN A 69 1.606 7.089 -7.352 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -0.646 6.151 -6.039 1.00 0.00 H new ATOM 0 HG3 GLN A 69 0.221 6.966 -4.753 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -1.525 8.511 -4.686 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -1.598 9.816 -5.876 1.00 0.00 H new ATOM 1126 N VAL A 70 3.785 4.279 -6.851 1.00 0.00 N ATOM 1127 CA VAL A 70 5.069 3.945 -7.447 1.00 0.00 C ATOM 1128 C VAL A 70 4.990 2.624 -8.197 1.00 0.00 C ATOM 1129 O VAL A 70 5.716 2.402 -9.167 1.00 0.00 O ATOM 1130 CB VAL A 70 6.187 3.862 -6.400 1.00 0.00 C ATOM 1131 CG1 VAL A 70 7.548 4.035 -7.057 1.00 0.00 C ATOM 1132 CG2 VAL A 70 5.982 4.894 -5.299 1.00 0.00 C ATOM 0 H VAL A 70 3.745 4.159 -5.839 1.00 0.00 H new ATOM 0 HA VAL A 70 5.308 4.749 -8.143 1.00 0.00 H new ATOM 0 HB VAL A 70 6.150 2.873 -5.942 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.329 3.973 -6.299 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.698 3.248 -7.797 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.594 5.008 -7.547 1.00 0.00 H new ATOM 0 HG21 VAL A 70 6.788 4.813 -4.570 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.983 5.894 -5.733 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.027 4.714 -4.805 1.00 0.00 H new ATOM 1142 N LEU A 71 4.099 1.752 -7.744 1.00 0.00 N ATOM 1143 CA LEU A 71 3.915 0.454 -8.373 1.00 0.00 C ATOM 1144 C LEU A 71 3.215 0.602 -9.717 1.00 0.00 C ATOM 1145 O LEU A 71 3.414 -0.204 -10.626 1.00 0.00 O ATOM 1146 CB LEU A 71 3.117 -0.474 -7.458 1.00 0.00 C ATOM 1147 CG LEU A 71 3.859 -1.733 -7.008 1.00 0.00 C ATOM 1148 CD1 LEU A 71 4.693 -1.448 -5.769 1.00 0.00 C ATOM 1149 CD2 LEU A 71 2.876 -2.863 -6.743 1.00 0.00 C ATOM 0 H LEU A 71 3.492 1.922 -6.942 1.00 0.00 H new ATOM 0 HA LEU A 71 4.898 0.014 -8.544 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.813 0.086 -6.574 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.205 -0.773 -7.975 1.00 0.00 H new ATOM 0 HG LEU A 71 4.531 -2.042 -7.809 1.00 0.00 H new ATOM 0 HD11 LEU A 71 5.213 -2.356 -5.464 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.422 -0.669 -5.992 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.042 -1.114 -4.961 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.421 -3.752 -6.424 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.180 -2.563 -5.960 1.00 0.00 H new ATOM 0 HD23 LEU A 71 2.322 -3.085 -7.655 1.00 0.00 H new ATOM 1161 N ALA A 72 2.400 1.642 -9.835 1.00 0.00 N ATOM 1162 CA ALA A 72 1.672 1.905 -11.066 1.00 0.00 C ATOM 1163 C ALA A 72 2.613 2.389 -12.161 1.00 0.00 C ATOM 1164 O ALA A 72 2.361 2.182 -13.348 1.00 0.00 O ATOM 1165 CB ALA A 72 0.568 2.924 -10.823 1.00 0.00 C ATOM 0 H ALA A 72 2.227 2.318 -9.091 1.00 0.00 H new ATOM 0 HA ALA A 72 1.217 0.972 -11.398 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.033 3.110 -11.754 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -0.126 2.538 -10.076 1.00 0.00 H new ATOM 0 HB3 ALA A 72 1.005 3.856 -10.464 1.00 0.00 H new ATOM 1171 N ARG A 73 3.699 3.030 -11.751 1.00 0.00 N ATOM 1172 CA ARG A 73 4.684 3.543 -12.691 1.00 0.00 C ATOM 1173 C ARG A 73 5.480 2.405 -13.316 1.00 0.00 C ATOM 1174 O ARG A 73 5.958 2.512 -14.445 1.00 0.00 O ATOM 1175 CB ARG A 73 5.629 4.523 -11.993 1.00 0.00 C ATOM 1176 CG ARG A 73 5.139 5.962 -12.017 1.00 0.00 C ATOM 1177 CD ARG A 73 6.296 6.942 -12.126 1.00 0.00 C ATOM 1178 NE ARG A 73 5.976 8.071 -12.996 1.00 0.00 N ATOM 1179 CZ ARG A 73 5.193 9.086 -12.637 1.00 0.00 C ATOM 1180 NH1 ARG A 73 4.649 9.117 -11.427 1.00 0.00 N ATOM 1181 NH2 ARG A 73 4.953 10.073 -13.490 1.00 0.00 N ATOM 0 H ARG A 73 3.920 3.207 -10.771 1.00 0.00 H new ATOM 0 HA ARG A 73 4.153 4.069 -13.484 1.00 0.00 H new ATOM 0 HB2 ARG A 73 5.763 4.211 -10.957 1.00 0.00 H new ATOM 0 HB3 ARG A 73 6.608 4.473 -12.470 1.00 0.00 H new ATOM 0 HG2 ARG A 73 4.461 6.103 -12.859 1.00 0.00 H new ATOM 0 HG3 ARG A 73 4.570 6.169 -11.111 1.00 0.00 H new ATOM 0 HD2 ARG A 73 6.554 7.311 -11.133 1.00 0.00 H new ATOM 0 HD3 ARG A 73 7.174 6.425 -12.512 1.00 0.00 H new ATOM 0 HE ARG A 73 6.376 8.082 -13.934 1.00 0.00 H new ATOM 0 HH11 ARG A 73 4.830 8.361 -10.767 1.00 0.00 H new ATOM 0 HH12 ARG A 73 4.050 9.897 -11.157 1.00 0.00 H new ATOM 0 HH21 ARG A 73 5.368 10.054 -14.421 1.00 0.00 H new ATOM 0 HH22 ARG A 73 4.353 10.851 -13.215 1.00 0.00 H new ATOM 1195 N ARG A 74 5.616 1.315 -12.572 1.00 0.00 N ATOM 1196 CA ARG A 74 6.350 0.152 -13.046 1.00 0.00 C ATOM 1197 C ARG A 74 5.562 -0.588 -14.120 1.00 0.00 C ATOM 1198 O ARG A 74 6.137 -1.243 -14.989 1.00 0.00 O ATOM 1199 CB ARG A 74 6.665 -0.791 -11.883 1.00 0.00 C ATOM 1200 CG ARG A 74 7.954 -0.448 -11.154 1.00 0.00 C ATOM 1201 CD ARG A 74 8.662 -1.699 -10.659 1.00 0.00 C ATOM 1202 NE ARG A 74 9.275 -2.450 -11.752 1.00 0.00 N ATOM 1203 CZ ARG A 74 9.737 -3.692 -11.630 1.00 0.00 C ATOM 1204 NH1 ARG A 74 9.660 -4.325 -10.466 1.00 0.00 N ATOM 1205 NH2 ARG A 74 10.279 -4.304 -12.675 1.00 0.00 N ATOM 0 H ARG A 74 5.226 1.213 -11.635 1.00 0.00 H new ATOM 0 HA ARG A 74 7.286 0.499 -13.483 1.00 0.00 H new ATOM 0 HB2 ARG A 74 5.838 -0.767 -11.173 1.00 0.00 H new ATOM 0 HB3 ARG A 74 6.732 -1.811 -12.261 1.00 0.00 H new ATOM 0 HG2 ARG A 74 8.615 0.106 -11.821 1.00 0.00 H new ATOM 0 HG3 ARG A 74 7.733 0.205 -10.310 1.00 0.00 H new ATOM 0 HD2 ARG A 74 9.429 -1.420 -9.936 1.00 0.00 H new ATOM 0 HD3 ARG A 74 7.949 -2.336 -10.137 1.00 0.00 H new ATOM 0 HE ARG A 74 9.353 -1.996 -12.662 1.00 0.00 H new ATOM 0 HH11 ARG A 74 9.245 -3.860 -9.659 1.00 0.00 H new ATOM 0 HH12 ARG A 74 10.016 -5.277 -10.379 1.00 0.00 H new ATOM 0 HH21 ARG A 74 10.342 -3.823 -13.572 1.00 0.00 H new ATOM 0 HH22 ARG A 74 10.633 -5.256 -12.581 1.00 0.00 H new ATOM 1219 N LYS A 75 4.242 -0.478 -14.050 1.00 0.00 N ATOM 1220 CA LYS A 75 3.367 -1.134 -15.011 1.00 0.00 C ATOM 1221 C LYS A 75 3.373 -0.401 -16.348 1.00 0.00 C ATOM 1222 O LYS A 75 3.095 -0.990 -17.392 1.00 0.00 O ATOM 1223 CB LYS A 75 1.941 -1.214 -14.463 1.00 0.00 C ATOM 1224 CG LYS A 75 1.631 -2.528 -13.765 1.00 0.00 C ATOM 1225 CD LYS A 75 0.719 -2.323 -12.566 1.00 0.00 C ATOM 1226 CE LYS A 75 1.500 -2.342 -11.262 1.00 0.00 C ATOM 1227 NZ LYS A 75 1.455 -3.679 -10.607 1.00 0.00 N ATOM 0 H LYS A 75 3.753 0.061 -13.335 1.00 0.00 H new ATOM 0 HA LYS A 75 3.743 -2.144 -15.174 1.00 0.00 H new ATOM 0 HB2 LYS A 75 1.783 -0.394 -13.763 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.237 -1.073 -15.283 1.00 0.00 H new ATOM 0 HG2 LYS A 75 1.158 -3.212 -14.470 1.00 0.00 H new ATOM 0 HG3 LYS A 75 2.560 -2.996 -13.440 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.196 -1.372 -12.664 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -0.041 -3.104 -12.548 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.537 -2.067 -11.456 1.00 0.00 H new ATOM 0 HE3 LYS A 75 1.093 -1.592 -10.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 1.956 -3.637 -9.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 0.465 -3.953 -10.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 1.912 -4.382 -11.222 1.00 0.00 H new ATOM 1241 N SER A 76 3.690 0.887 -16.308 1.00 0.00 N ATOM 1242 CA SER A 76 3.732 1.703 -17.516 1.00 0.00 C ATOM 1243 C SER A 76 4.820 1.222 -18.472 1.00 0.00 C ATOM 1244 O SER A 76 4.810 1.561 -19.655 1.00 0.00 O ATOM 1245 CB SER A 76 3.966 3.172 -17.157 1.00 0.00 C ATOM 1246 OG SER A 76 5.299 3.387 -16.727 1.00 0.00 O ATOM 0 H SER A 76 3.922 1.390 -15.452 1.00 0.00 H new ATOM 0 HA SER A 76 2.769 1.605 -18.018 1.00 0.00 H new ATOM 0 HB2 SER A 76 3.755 3.799 -18.023 1.00 0.00 H new ATOM 0 HB3 SER A 76 3.274 3.472 -16.370 1.00 0.00 H new ATOM 0 HG SER A 76 5.343 3.320 -15.750 1.00 0.00 H new ATOM 1252 N ARG A 77 5.753 0.428 -17.957 1.00 0.00 N ATOM 1253 CA ARG A 77 6.840 -0.099 -18.772 1.00 0.00 C ATOM 1254 C ARG A 77 6.305 -0.966 -19.910 1.00 0.00 C ATOM 1255 O ARG A 77 7.013 -1.236 -20.880 1.00 0.00 O ATOM 1256 CB ARG A 77 7.806 -0.912 -17.908 1.00 0.00 C ATOM 1257 CG ARG A 77 8.708 -0.055 -17.034 1.00 0.00 C ATOM 1258 CD ARG A 77 10.090 -0.671 -16.887 1.00 0.00 C ATOM 1259 NE ARG A 77 11.144 0.341 -16.898 1.00 0.00 N ATOM 1260 CZ ARG A 77 11.301 1.259 -15.947 1.00 0.00 C ATOM 1261 NH1 ARG A 77 10.474 1.297 -14.909 1.00 0.00 N ATOM 1262 NH2 ARG A 77 12.286 2.142 -16.034 1.00 0.00 N ATOM 0 H ARG A 77 5.778 0.136 -16.980 1.00 0.00 H new ATOM 0 HA ARG A 77 7.373 0.747 -19.207 1.00 0.00 H new ATOM 0 HB2 ARG A 77 7.232 -1.587 -17.272 1.00 0.00 H new ATOM 0 HB3 ARG A 77 8.425 -1.533 -18.555 1.00 0.00 H new ATOM 0 HG2 ARG A 77 8.797 0.941 -17.468 1.00 0.00 H new ATOM 0 HG3 ARG A 77 8.255 0.065 -16.050 1.00 0.00 H new ATOM 0 HD2 ARG A 77 10.138 -1.235 -15.955 1.00 0.00 H new ATOM 0 HD3 ARG A 77 10.259 -1.380 -17.698 1.00 0.00 H new ATOM 0 HE ARG A 77 11.798 0.344 -17.681 1.00 0.00 H new ATOM 0 HH11 ARG A 77 9.714 0.621 -14.838 1.00 0.00 H new ATOM 0 HH12 ARG A 77 10.599 2.003 -14.183 1.00 0.00 H new ATOM 0 HH21 ARG A 77 12.924 2.118 -16.830 1.00 0.00 H new ATOM 0 HH22 ARG A 77 12.406 2.845 -15.305 1.00 0.00 H new ATOM 1276 N ASP A 78 5.053 -1.400 -19.787 1.00 0.00 N ATOM 1277 CA ASP A 78 4.431 -2.235 -20.807 1.00 0.00 C ATOM 1278 C ASP A 78 4.279 -1.478 -22.122 1.00 0.00 C ATOM 1279 O ASP A 78 4.188 -2.082 -23.191 1.00 0.00 O ATOM 1280 CB ASP A 78 3.070 -2.734 -20.326 1.00 0.00 C ATOM 1281 CG ASP A 78 3.013 -4.245 -20.213 1.00 0.00 C ATOM 1282 OD1 ASP A 78 3.368 -4.774 -19.139 1.00 0.00 O ATOM 1283 OD2 ASP A 78 2.614 -4.899 -21.200 1.00 0.00 O ATOM 0 H ASP A 78 4.451 -1.187 -18.992 1.00 0.00 H new ATOM 0 HA ASP A 78 5.082 -3.092 -20.983 1.00 0.00 H new ATOM 0 HB2 ASP A 78 2.847 -2.291 -19.355 1.00 0.00 H new ATOM 0 HB3 ASP A 78 2.297 -2.395 -21.016 1.00 0.00 H new