USER MOD reduce.3.24.130724 H: found=0, std=0, add=845, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 842 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 600 THR OG1 : rot -79:sc= -1.4! USER MOD Set 1.2: A 605 GLN : amide:sc= -3.59! C(o=-5!,f=-5.1!) USER MOD Set 2.1: A 556 CYS SG : rot 22:sc= 1.09 USER MOD Set 2.2: A 569 TYR OH : rot -130:sc= 0.932 USER MOD Single : A 521 THR OG1 : rot 180:sc= 0.0396 USER MOD Single : A 530 GLN :FLIP amide:sc= -2.27 F(o=-4.8!,f=-2.3) USER MOD Single : A 531 HIS : no HD1:sc= -0.925 X(o=-0.93,f=-1.1) USER MOD Single : A 540 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 541 LYS NZ :NH3+ -127:sc= 0.803 (180deg=0.0283) USER MOD Single : A 543 SER OG : rot 180:sc= 0 USER MOD Single : A 544 HIS : no HD1:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 547 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 550 THR OG1 : rot 105:sc= 0.893 USER MOD Single : A 552 TYR OH : rot 180:sc= 0.0388 USER MOD Single : A 553 TYR OH : rot 43:sc= 1.29 USER MOD Single : A 558 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 560 MET CE :methyl 154:sc= -0.47 (180deg=-1.49!) USER MOD Single : A 561 LYS NZ :NH3+ -156:sc= 0.323 (180deg=0.129) USER MOD Single : A 562 GLN : amide:sc= -1.48 K(o=-1.5,f=-2.4) USER MOD Single : A 568 LYS NZ :NH3+ 169:sc= 1.31 (180deg=1.18) USER MOD Single : A 571 SER OG : rot 91:sc= 1.27 USER MOD Single : A 573 ASN : amide:sc= 0.466 X(o=0.47,f=0) USER MOD Single : A 576 HIS : no HD1:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 577 SER OG : rot 180:sc= 0 USER MOD Single : A 582 HIS : no HD1:sc= 0.191 K(o=0.19,f=-7.7!) USER MOD Single : A 584 SER OG : rot 180:sc= 0 USER MOD Single : A 586 SER OG : rot 180:sc= 0 USER MOD Single : A 589 MET CE :methyl 163:sc= -0.0354 (180deg=-0.367) USER MOD Single : A 608 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 610 SER OG : rot 180:sc= 0 USER MOD Single : A 616 SER OG : rot 180:sc= 0 USER MOD Single : A 619 GLN : amide:sc= -0.3 X(o=-0.3,f=-0.08) USER MOD ----------------------------------------------------------------- ATOM 94 N ALA A 520 -7.404 10.353 1.496 1.00 0.00 N ATOM 95 CA ALA A 520 -7.705 9.373 2.523 1.00 0.00 C ATOM 96 C ALA A 520 -6.938 9.684 3.802 1.00 0.00 C ATOM 97 O ALA A 520 -5.865 10.285 3.759 1.00 0.00 O ATOM 98 CB ALA A 520 -7.381 7.972 2.030 1.00 0.00 C ATOM 0 HA ALA A 520 -8.771 9.422 2.745 1.00 0.00 H new ATOM 0 HB1 ALA A 520 -7.612 7.249 2.812 1.00 0.00 H new ATOM 0 HB2 ALA A 520 -7.976 7.751 1.144 1.00 0.00 H new ATOM 0 HB3 ALA A 520 -6.322 7.910 1.780 1.00 0.00 H new ATOM 104 N THR A 521 -7.501 9.300 4.934 1.00 0.00 N ATOM 105 CA THR A 521 -6.822 9.420 6.214 1.00 0.00 C ATOM 106 C THR A 521 -6.246 8.076 6.640 1.00 0.00 C ATOM 107 O THR A 521 -6.848 7.038 6.376 1.00 0.00 O ATOM 108 CB THR A 521 -7.784 9.941 7.299 1.00 0.00 C ATOM 109 OG1 THR A 521 -9.133 9.591 6.965 1.00 0.00 O ATOM 110 CG2 THR A 521 -7.669 11.447 7.459 1.00 0.00 C ATOM 0 H THR A 521 -8.437 8.898 4.993 1.00 0.00 H new ATOM 0 HA THR A 521 -6.008 10.135 6.096 1.00 0.00 H new ATOM 0 HB THR A 521 -7.510 9.475 8.246 1.00 0.00 H new ATOM 0 HG1 THR A 521 -9.739 9.924 7.660 1.00 0.00 H new ATOM 0 HG21 THR A 521 -8.360 11.785 8.231 1.00 0.00 H new ATOM 0 HG22 THR A 521 -6.650 11.706 7.746 1.00 0.00 H new ATOM 0 HG23 THR A 521 -7.915 11.933 6.515 1.00 0.00 H new ATOM 118 N PRO A 522 -5.075 8.074 7.301 1.00 0.00 N ATOM 119 CA PRO A 522 -4.399 6.838 7.716 1.00 0.00 C ATOM 120 C PRO A 522 -5.307 5.930 8.541 1.00 0.00 C ATOM 121 O PRO A 522 -5.326 4.714 8.351 1.00 0.00 O ATOM 122 CB PRO A 522 -3.212 7.325 8.562 1.00 0.00 C ATOM 123 CG PRO A 522 -3.466 8.771 8.829 1.00 0.00 C ATOM 124 CD PRO A 522 -4.312 9.269 7.694 1.00 0.00 C ATOM 0 HA PRO A 522 -4.098 6.239 6.857 1.00 0.00 H new ATOM 0 HB2 PRO A 522 -3.139 6.763 9.493 1.00 0.00 H new ATOM 0 HB3 PRO A 522 -2.270 7.185 8.031 1.00 0.00 H new ATOM 0 HG2 PRO A 522 -3.977 8.906 9.782 1.00 0.00 H new ATOM 0 HG3 PRO A 522 -2.529 9.325 8.888 1.00 0.00 H new ATOM 0 HD2 PRO A 522 -4.968 10.082 8.006 1.00 0.00 H new ATOM 0 HD3 PRO A 522 -3.703 9.647 6.873 1.00 0.00 H new ATOM 132 N GLU A 523 -6.046 6.537 9.460 1.00 0.00 N ATOM 133 CA GLU A 523 -7.003 5.807 10.286 1.00 0.00 C ATOM 134 C GLU A 523 -7.996 5.030 9.406 1.00 0.00 C ATOM 135 O GLU A 523 -8.336 3.884 9.695 1.00 0.00 O ATOM 136 CB GLU A 523 -7.750 6.766 11.217 1.00 0.00 C ATOM 137 CG GLU A 523 -8.392 7.941 10.497 1.00 0.00 C ATOM 138 CD GLU A 523 -9.337 8.721 11.380 1.00 0.00 C ATOM 139 OE1 GLU A 523 -8.863 9.574 12.157 1.00 0.00 O ATOM 140 OE2 GLU A 523 -10.560 8.493 11.290 1.00 0.00 O ATOM 0 H GLU A 523 -6.002 7.537 9.654 1.00 0.00 H new ATOM 0 HA GLU A 523 -6.452 5.092 10.897 1.00 0.00 H new ATOM 0 HB2 GLU A 523 -8.523 6.212 11.751 1.00 0.00 H new ATOM 0 HB3 GLU A 523 -7.055 7.146 11.966 1.00 0.00 H new ATOM 0 HG2 GLU A 523 -7.611 8.607 10.130 1.00 0.00 H new ATOM 0 HG3 GLU A 523 -8.935 7.575 9.625 1.00 0.00 H new ATOM 147 N GLU A 524 -8.454 5.665 8.333 1.00 0.00 N ATOM 148 CA GLU A 524 -9.346 5.031 7.374 1.00 0.00 C ATOM 149 C GLU A 524 -8.605 4.005 6.516 1.00 0.00 C ATOM 150 O GLU A 524 -9.177 3.008 6.100 1.00 0.00 O ATOM 151 CB GLU A 524 -9.997 6.094 6.498 1.00 0.00 C ATOM 152 CG GLU A 524 -10.878 7.055 7.279 1.00 0.00 C ATOM 153 CD GLU A 524 -12.136 6.407 7.820 1.00 0.00 C ATOM 154 OE1 GLU A 524 -12.076 5.770 8.893 1.00 0.00 O ATOM 155 OE2 GLU A 524 -13.199 6.549 7.180 1.00 0.00 O ATOM 0 H GLU A 524 -8.217 6.631 8.105 1.00 0.00 H new ATOM 0 HA GLU A 524 -10.120 4.497 7.925 1.00 0.00 H new ATOM 0 HB2 GLU A 524 -9.219 6.659 5.985 1.00 0.00 H new ATOM 0 HB3 GLU A 524 -10.596 5.606 5.729 1.00 0.00 H new ATOM 0 HG2 GLU A 524 -10.305 7.470 8.108 1.00 0.00 H new ATOM 0 HG3 GLU A 524 -11.155 7.889 6.634 1.00 0.00 H new ATOM 162 N VAL A 525 -7.330 4.261 6.250 1.00 0.00 N ATOM 163 CA VAL A 525 -6.519 3.355 5.438 1.00 0.00 C ATOM 164 C VAL A 525 -6.206 2.061 6.199 1.00 0.00 C ATOM 165 O VAL A 525 -6.061 0.994 5.600 1.00 0.00 O ATOM 166 CB VAL A 525 -5.202 4.027 4.984 1.00 0.00 C ATOM 167 CG1 VAL A 525 -4.359 3.073 4.148 1.00 0.00 C ATOM 168 CG2 VAL A 525 -5.486 5.299 4.200 1.00 0.00 C ATOM 0 H VAL A 525 -6.833 5.087 6.583 1.00 0.00 H new ATOM 0 HA VAL A 525 -7.104 3.109 4.552 1.00 0.00 H new ATOM 0 HB VAL A 525 -4.639 4.288 5.880 1.00 0.00 H new ATOM 0 HG11 VAL A 525 -3.439 3.572 3.843 1.00 0.00 H new ATOM 0 HG12 VAL A 525 -4.114 2.191 4.739 1.00 0.00 H new ATOM 0 HG13 VAL A 525 -4.920 2.772 3.263 1.00 0.00 H new ATOM 0 HG21 VAL A 525 -4.545 5.754 3.891 1.00 0.00 H new ATOM 0 HG22 VAL A 525 -6.079 5.058 3.318 1.00 0.00 H new ATOM 0 HG23 VAL A 525 -6.038 5.998 4.828 1.00 0.00 H new ATOM 178 N ARG A 526 -6.089 2.157 7.520 1.00 0.00 N ATOM 179 CA ARG A 526 -5.903 0.969 8.350 1.00 0.00 C ATOM 180 C ARG A 526 -7.229 0.266 8.608 1.00 0.00 C ATOM 181 O ARG A 526 -7.244 -0.876 9.053 1.00 0.00 O ATOM 182 CB ARG A 526 -5.220 1.300 9.685 1.00 0.00 C ATOM 183 CG ARG A 526 -5.954 2.321 10.530 1.00 0.00 C ATOM 184 CD ARG A 526 -5.165 2.686 11.778 1.00 0.00 C ATOM 185 NE ARG A 526 -4.871 1.519 12.610 1.00 0.00 N ATOM 186 CZ ARG A 526 -4.092 1.552 13.692 1.00 0.00 C ATOM 187 NH1 ARG A 526 -3.531 2.693 14.078 1.00 0.00 N ATOM 188 NH2 ARG A 526 -3.875 0.442 14.385 1.00 0.00 N ATOM 0 H ARG A 526 -6.119 3.036 8.036 1.00 0.00 H new ATOM 0 HA ARG A 526 -5.249 0.298 7.793 1.00 0.00 H new ATOM 0 HB2 ARG A 526 -5.112 0.381 10.261 1.00 0.00 H new ATOM 0 HB3 ARG A 526 -4.215 1.670 9.483 1.00 0.00 H new ATOM 0 HG2 ARG A 526 -6.138 3.219 9.939 1.00 0.00 H new ATOM 0 HG3 ARG A 526 -6.928 1.924 10.817 1.00 0.00 H new ATOM 0 HD2 ARG A 526 -4.231 3.167 11.487 1.00 0.00 H new ATOM 0 HD3 ARG A 526 -5.729 3.413 12.362 1.00 0.00 H new ATOM 0 HE ARG A 526 -5.287 0.626 12.346 1.00 0.00 H new ATOM 0 HH11 ARG A 526 -3.696 3.548 13.546 1.00 0.00 H new ATOM 0 HH12 ARG A 526 -2.936 2.714 14.906 1.00 0.00 H new ATOM 0 HH21 ARG A 526 -4.304 -0.435 14.090 1.00 0.00 H new ATOM 0 HH22 ARG A 526 -3.279 0.466 15.213 1.00 0.00 H new ATOM 202 N LEU A 527 -8.337 0.955 8.347 1.00 0.00 N ATOM 203 CA LEU A 527 -9.675 0.385 8.519 1.00 0.00 C ATOM 204 C LEU A 527 -9.796 -0.986 7.829 1.00 0.00 C ATOM 205 O LEU A 527 -10.250 -1.947 8.449 1.00 0.00 O ATOM 206 CB LEU A 527 -10.726 1.361 7.970 1.00 0.00 C ATOM 207 CG LEU A 527 -11.955 1.610 8.847 1.00 0.00 C ATOM 208 CD1 LEU A 527 -12.771 0.342 9.012 1.00 0.00 C ATOM 209 CD2 LEU A 527 -11.542 2.172 10.197 1.00 0.00 C ATOM 0 H LEU A 527 -8.336 1.918 8.012 1.00 0.00 H new ATOM 0 HA LEU A 527 -9.849 0.230 9.584 1.00 0.00 H new ATOM 0 HB2 LEU A 527 -10.239 2.319 7.787 1.00 0.00 H new ATOM 0 HB3 LEU A 527 -11.067 0.987 7.005 1.00 0.00 H new ATOM 0 HG LEU A 527 -12.585 2.348 8.350 1.00 0.00 H new ATOM 0 HD11 LEU A 527 -13.638 0.547 9.639 1.00 0.00 H new ATOM 0 HD12 LEU A 527 -13.104 -0.006 8.034 1.00 0.00 H new ATOM 0 HD13 LEU A 527 -12.157 -0.427 9.481 1.00 0.00 H new ATOM 0 HD21 LEU A 527 -12.429 2.343 10.807 1.00 0.00 H new ATOM 0 HD22 LEU A 527 -10.886 1.462 10.701 1.00 0.00 H new ATOM 0 HD23 LEU A 527 -11.014 3.115 10.053 1.00 0.00 H new ATOM 221 N PRO A 528 -9.388 -1.111 6.544 1.00 0.00 N ATOM 222 CA PRO A 528 -9.385 -2.401 5.843 1.00 0.00 C ATOM 223 C PRO A 528 -8.544 -3.448 6.564 1.00 0.00 C ATOM 224 O PRO A 528 -8.908 -4.625 6.610 1.00 0.00 O ATOM 225 CB PRO A 528 -8.764 -2.075 4.483 1.00 0.00 C ATOM 226 CG PRO A 528 -8.980 -0.617 4.300 1.00 0.00 C ATOM 227 CD PRO A 528 -8.926 -0.019 5.667 1.00 0.00 C ATOM 0 HA PRO A 528 -10.387 -2.825 5.778 1.00 0.00 H new ATOM 0 HB2 PRO A 528 -7.702 -2.322 4.465 1.00 0.00 H new ATOM 0 HB3 PRO A 528 -9.238 -2.647 3.686 1.00 0.00 H new ATOM 0 HG2 PRO A 528 -8.214 -0.187 3.655 1.00 0.00 H new ATOM 0 HG3 PRO A 528 -9.942 -0.421 3.826 1.00 0.00 H new ATOM 0 HD2 PRO A 528 -7.916 0.302 5.924 1.00 0.00 H new ATOM 0 HD3 PRO A 528 -9.569 0.858 5.746 1.00 0.00 H new ATOM 235 N LEU A 529 -7.431 -3.006 7.144 1.00 0.00 N ATOM 236 CA LEU A 529 -6.501 -3.891 7.840 1.00 0.00 C ATOM 237 C LEU A 529 -7.134 -4.435 9.112 1.00 0.00 C ATOM 238 O LEU A 529 -6.750 -5.496 9.609 1.00 0.00 O ATOM 239 CB LEU A 529 -5.215 -3.139 8.201 1.00 0.00 C ATOM 240 CG LEU A 529 -4.596 -2.311 7.074 1.00 0.00 C ATOM 241 CD1 LEU A 529 -3.302 -1.661 7.539 1.00 0.00 C ATOM 242 CD2 LEU A 529 -4.351 -3.174 5.850 1.00 0.00 C ATOM 0 H LEU A 529 -7.149 -2.026 7.145 1.00 0.00 H new ATOM 0 HA LEU A 529 -6.261 -4.719 7.173 1.00 0.00 H new ATOM 0 HB2 LEU A 529 -5.426 -2.477 9.041 1.00 0.00 H new ATOM 0 HB3 LEU A 529 -4.476 -3.863 8.544 1.00 0.00 H new ATOM 0 HG LEU A 529 -5.298 -1.523 6.801 1.00 0.00 H new ATOM 0 HD11 LEU A 529 -2.875 -1.076 6.724 1.00 0.00 H new ATOM 0 HD12 LEU A 529 -3.507 -1.007 8.387 1.00 0.00 H new ATOM 0 HD13 LEU A 529 -2.594 -2.434 7.840 1.00 0.00 H new ATOM 0 HD21 LEU A 529 -3.910 -2.567 5.059 1.00 0.00 H new ATOM 0 HD22 LEU A 529 -3.670 -3.985 6.107 1.00 0.00 H new ATOM 0 HD23 LEU A 529 -5.297 -3.591 5.503 1.00 0.00 H new ATOM 254 N GLN A 530 -8.111 -3.702 9.628 1.00 0.00 N ATOM 255 CA GLN A 530 -8.800 -4.088 10.850 1.00 0.00 C ATOM 256 C GLN A 530 -9.785 -5.205 10.552 1.00 0.00 C ATOM 257 O GLN A 530 -10.125 -6.005 11.425 1.00 0.00 O ATOM 258 CB GLN A 530 -9.547 -2.890 11.440 1.00 0.00 C ATOM 259 CG GLN A 530 -8.686 -1.649 11.601 1.00 0.00 C ATOM 260 CD GLN A 530 -9.459 -0.461 12.135 1.00 0.00 C ATOM 261 OE1 GLN A 530 -9.048 0.730 11.738 1.00 0.00 O flip ATOM 262 NE2 GLN A 530 -10.422 -0.611 12.889 1.00 0.00 N flip ATOM 0 H GLN A 530 -8.445 -2.831 9.215 1.00 0.00 H new ATOM 0 HA GLN A 530 -8.063 -4.436 11.573 1.00 0.00 H new ATOM 0 HB2 GLN A 530 -10.396 -2.651 10.799 1.00 0.00 H new ATOM 0 HB3 GLN A 530 -9.951 -3.169 12.413 1.00 0.00 H new ATOM 0 HG2 GLN A 530 -7.859 -1.871 12.276 1.00 0.00 H new ATOM 0 HG3 GLN A 530 -8.249 -1.388 10.637 1.00 0.00 H new ATOM 0 HE21 GLN A 530 -10.707 -1.549 13.172 1.00 0.00 H new ATOM 0 HE22 GLN A 530 -10.934 0.202 13.230 1.00 0.00 H new ATOM 271 N HIS A 531 -10.223 -5.260 9.304 1.00 0.00 N ATOM 272 CA HIS A 531 -11.195 -6.249 8.877 1.00 0.00 C ATOM 273 C HIS A 531 -10.503 -7.470 8.279 1.00 0.00 C ATOM 274 O HIS A 531 -10.016 -8.329 9.015 1.00 0.00 O ATOM 275 CB HIS A 531 -12.192 -5.624 7.893 1.00 0.00 C ATOM 276 CG HIS A 531 -13.138 -4.671 8.556 1.00 0.00 C ATOM 277 ND1 HIS A 531 -14.230 -5.122 9.254 1.00 0.00 N ATOM 278 CD2 HIS A 531 -13.096 -3.320 8.625 1.00 0.00 C ATOM 279 CE1 HIS A 531 -14.823 -4.043 9.735 1.00 0.00 C ATOM 280 NE2 HIS A 531 -14.173 -2.926 9.380 1.00 0.00 N ATOM 0 H HIS A 531 -9.917 -4.626 8.566 1.00 0.00 H new ATOM 0 HA HIS A 531 -11.754 -6.590 9.749 1.00 0.00 H new ATOM 0 HB2 HIS A 531 -11.644 -5.100 7.110 1.00 0.00 H new ATOM 0 HB3 HIS A 531 -12.762 -6.416 7.407 1.00 0.00 H new ATOM 0 HD2 HIS A 531 -12.357 -2.675 8.173 1.00 0.00 H new ATOM 0 HE1 HIS A 531 -15.719 -4.059 10.338 1.00 0.00 H new ATOM 0 HE2 HIS A 531 -14.429 -1.969 9.623 1.00 0.00 H new ATOM 288 N GLY A 532 -10.448 -7.552 6.958 1.00 0.00 N ATOM 289 CA GLY A 532 -9.790 -8.683 6.328 1.00 0.00 C ATOM 290 C GLY A 532 -8.726 -8.282 5.328 1.00 0.00 C ATOM 291 O GLY A 532 -7.850 -9.080 4.998 1.00 0.00 O ATOM 0 H GLY A 532 -10.842 -6.865 6.315 1.00 0.00 H new ATOM 0 HA2 GLY A 532 -9.336 -9.305 7.099 1.00 0.00 H new ATOM 0 HA3 GLY A 532 -10.539 -9.295 5.824 1.00 0.00 H new ATOM 295 N TRP A 533 -8.798 -7.054 4.841 1.00 0.00 N ATOM 296 CA TRP A 533 -7.871 -6.582 3.820 1.00 0.00 C ATOM 297 C TRP A 533 -6.472 -6.391 4.385 1.00 0.00 C ATOM 298 O TRP A 533 -6.285 -6.275 5.598 1.00 0.00 O ATOM 299 CB TRP A 533 -8.363 -5.263 3.230 1.00 0.00 C ATOM 300 CG TRP A 533 -9.672 -5.384 2.522 1.00 0.00 C ATOM 301 CD1 TRP A 533 -10.900 -5.538 3.092 1.00 0.00 C ATOM 302 CD2 TRP A 533 -9.883 -5.346 1.110 1.00 0.00 C ATOM 303 NE1 TRP A 533 -11.861 -5.624 2.119 1.00 0.00 N ATOM 304 CE2 TRP A 533 -11.264 -5.500 0.892 1.00 0.00 C ATOM 305 CE3 TRP A 533 -9.039 -5.200 0.008 1.00 0.00 C ATOM 306 CZ2 TRP A 533 -11.819 -5.511 -0.383 1.00 0.00 C ATOM 307 CZ3 TRP A 533 -9.590 -5.208 -1.257 1.00 0.00 C ATOM 308 CH2 TRP A 533 -10.968 -5.362 -1.444 1.00 0.00 C ATOM 0 H TRP A 533 -9.489 -6.364 5.135 1.00 0.00 H new ATOM 0 HA TRP A 533 -7.827 -7.341 3.039 1.00 0.00 H new ATOM 0 HB2 TRP A 533 -8.457 -4.528 4.029 1.00 0.00 H new ATOM 0 HB3 TRP A 533 -7.615 -4.883 2.534 1.00 0.00 H new ATOM 0 HD1 TRP A 533 -11.088 -5.585 4.154 1.00 0.00 H new ATOM 0 HE1 TRP A 533 -12.859 -5.759 2.282 1.00 0.00 H new ATOM 0 HE3 TRP A 533 -7.974 -5.083 0.143 1.00 0.00 H new ATOM 0 HZ2 TRP A 533 -12.882 -5.633 -0.530 1.00 0.00 H new ATOM 0 HZ3 TRP A 533 -8.947 -5.093 -2.117 1.00 0.00 H new ATOM 0 HH2 TRP A 533 -11.368 -5.363 -2.447 1.00 0.00 H new ATOM 319 N ARG A 534 -5.491 -6.362 3.498 1.00 0.00 N ATOM 320 CA ARG A 534 -4.113 -6.100 3.873 1.00 0.00 C ATOM 321 C ARG A 534 -3.556 -5.014 2.975 1.00 0.00 C ATOM 322 O ARG A 534 -4.088 -4.778 1.888 1.00 0.00 O ATOM 323 CB ARG A 534 -3.263 -7.365 3.729 1.00 0.00 C ATOM 324 CG ARG A 534 -3.544 -8.419 4.782 1.00 0.00 C ATOM 325 CD ARG A 534 -3.141 -7.935 6.163 1.00 0.00 C ATOM 326 NE ARG A 534 -3.325 -8.963 7.180 1.00 0.00 N ATOM 327 CZ ARG A 534 -2.506 -9.134 8.217 1.00 0.00 C ATOM 328 NH1 ARG A 534 -1.415 -8.384 8.341 1.00 0.00 N ATOM 329 NH2 ARG A 534 -2.769 -10.069 9.117 1.00 0.00 N ATOM 0 H ARG A 534 -5.628 -6.519 2.500 1.00 0.00 H new ATOM 0 HA ARG A 534 -4.084 -5.780 4.915 1.00 0.00 H new ATOM 0 HB2 ARG A 534 -3.435 -7.796 2.743 1.00 0.00 H new ATOM 0 HB3 ARG A 534 -2.209 -7.090 3.777 1.00 0.00 H new ATOM 0 HG2 ARG A 534 -4.605 -8.669 4.776 1.00 0.00 H new ATOM 0 HG3 ARG A 534 -3.000 -9.332 4.541 1.00 0.00 H new ATOM 0 HD2 ARG A 534 -2.096 -7.624 6.147 1.00 0.00 H new ATOM 0 HD3 ARG A 534 -3.731 -7.057 6.425 1.00 0.00 H new ATOM 0 HE ARG A 534 -4.127 -9.587 7.093 1.00 0.00 H new ATOM 0 HH11 ARG A 534 -1.202 -7.674 7.640 1.00 0.00 H new ATOM 0 HH12 ARG A 534 -0.791 -8.519 9.137 1.00 0.00 H new ATOM 0 HH21 ARG A 534 -3.597 -10.656 9.015 1.00 0.00 H new ATOM 0 HH22 ARG A 534 -2.144 -10.202 9.912 1.00 0.00 H new ATOM 343 N ARG A 535 -2.491 -4.360 3.410 1.00 0.00 N ATOM 344 CA ARG A 535 -1.863 -3.358 2.579 1.00 0.00 C ATOM 345 C ARG A 535 -0.361 -3.362 2.795 1.00 0.00 C ATOM 346 O ARG A 535 0.123 -3.116 3.902 1.00 0.00 O ATOM 347 CB ARG A 535 -2.424 -1.985 2.927 1.00 0.00 C ATOM 348 CG ARG A 535 -1.996 -0.889 1.977 1.00 0.00 C ATOM 349 CD ARG A 535 -1.591 0.355 2.735 1.00 0.00 C ATOM 350 NE ARG A 535 -1.701 1.565 1.923 1.00 0.00 N ATOM 351 CZ ARG A 535 -0.910 2.630 2.053 1.00 0.00 C ATOM 352 NH1 ARG A 535 0.044 2.645 2.975 1.00 0.00 N ATOM 353 NH2 ARG A 535 -1.074 3.672 1.251 1.00 0.00 N ATOM 0 H ARG A 535 -2.052 -4.505 4.319 1.00 0.00 H new ATOM 0 HA ARG A 535 -2.070 -3.585 1.533 1.00 0.00 H new ATOM 0 HB2 ARG A 535 -3.513 -2.040 2.936 1.00 0.00 H new ATOM 0 HB3 ARG A 535 -2.110 -1.720 3.937 1.00 0.00 H new ATOM 0 HG2 ARG A 535 -1.162 -1.236 1.368 1.00 0.00 H new ATOM 0 HG3 ARG A 535 -2.813 -0.654 1.295 1.00 0.00 H new ATOM 0 HD2 ARG A 535 -2.218 0.457 3.621 1.00 0.00 H new ATOM 0 HD3 ARG A 535 -0.564 0.247 3.083 1.00 0.00 H new ATOM 0 HE ARG A 535 -2.430 1.597 1.211 1.00 0.00 H new ATOM 0 HH11 ARG A 535 0.174 1.840 3.587 1.00 0.00 H new ATOM 0 HH12 ARG A 535 0.647 3.462 3.071 1.00 0.00 H new ATOM 0 HH21 ARG A 535 -1.803 3.657 0.538 1.00 0.00 H new ATOM 0 HH22 ARG A 535 -0.471 4.489 1.347 1.00 0.00 H new ATOM 367 N GLU A 536 0.367 -3.619 1.733 1.00 0.00 N ATOM 368 CA GLU A 536 1.812 -3.651 1.785 1.00 0.00 C ATOM 369 C GLU A 536 2.357 -2.503 0.956 1.00 0.00 C ATOM 370 O GLU A 536 1.809 -2.187 -0.094 1.00 0.00 O ATOM 371 CB GLU A 536 2.344 -4.971 1.216 1.00 0.00 C ATOM 372 CG GLU A 536 1.924 -6.204 1.994 1.00 0.00 C ATOM 373 CD GLU A 536 2.462 -7.489 1.389 1.00 0.00 C ATOM 374 OE1 GLU A 536 2.796 -7.500 0.181 1.00 0.00 O ATOM 375 OE2 GLU A 536 2.556 -8.499 2.119 1.00 0.00 O ATOM 0 H GLU A 536 -0.024 -3.811 0.811 1.00 0.00 H new ATOM 0 HA GLU A 536 2.131 -3.561 2.823 1.00 0.00 H new ATOM 0 HB2 GLU A 536 2.002 -5.072 0.186 1.00 0.00 H new ATOM 0 HB3 GLU A 536 3.433 -4.928 1.188 1.00 0.00 H new ATOM 0 HG2 GLU A 536 2.274 -6.117 3.022 1.00 0.00 H new ATOM 0 HG3 GLU A 536 0.836 -6.252 2.031 1.00 0.00 H new ATOM 382 N VAL A 537 3.413 -1.872 1.417 1.00 0.00 N ATOM 383 CA VAL A 537 4.037 -0.808 0.654 1.00 0.00 C ATOM 384 C VAL A 537 5.450 -1.210 0.291 1.00 0.00 C ATOM 385 O VAL A 537 6.299 -1.405 1.161 1.00 0.00 O ATOM 386 CB VAL A 537 4.060 0.529 1.424 1.00 0.00 C ATOM 387 CG1 VAL A 537 4.717 1.621 0.590 1.00 0.00 C ATOM 388 CG2 VAL A 537 2.652 0.940 1.824 1.00 0.00 C ATOM 0 H VAL A 537 3.858 -2.074 2.312 1.00 0.00 H new ATOM 0 HA VAL A 537 3.442 -0.656 -0.247 1.00 0.00 H new ATOM 0 HB VAL A 537 4.649 0.389 2.330 1.00 0.00 H new ATOM 0 HG11 VAL A 537 4.722 2.555 1.152 1.00 0.00 H new ATOM 0 HG12 VAL A 537 5.742 1.333 0.355 1.00 0.00 H new ATOM 0 HG13 VAL A 537 4.158 1.758 -0.336 1.00 0.00 H new ATOM 0 HG21 VAL A 537 2.689 1.885 2.366 1.00 0.00 H new ATOM 0 HG22 VAL A 537 2.040 1.058 0.930 1.00 0.00 H new ATOM 0 HG23 VAL A 537 2.217 0.172 2.463 1.00 0.00 H new ATOM 398 N ARG A 538 5.687 -1.342 -0.991 1.00 0.00 N ATOM 399 CA ARG A 538 6.956 -1.839 -1.472 1.00 0.00 C ATOM 400 C ARG A 538 7.765 -0.713 -2.085 1.00 0.00 C ATOM 401 O ARG A 538 7.335 -0.078 -3.049 1.00 0.00 O ATOM 402 CB ARG A 538 6.716 -2.978 -2.463 1.00 0.00 C ATOM 403 CG ARG A 538 5.935 -4.121 -1.835 1.00 0.00 C ATOM 404 CD ARG A 538 5.685 -5.265 -2.799 1.00 0.00 C ATOM 405 NE ARG A 538 4.954 -6.348 -2.140 1.00 0.00 N ATOM 406 CZ ARG A 538 5.207 -7.641 -2.318 1.00 0.00 C ATOM 407 NH1 ARG A 538 6.114 -8.033 -3.203 1.00 0.00 N ATOM 408 NH2 ARG A 538 4.539 -8.542 -1.612 1.00 0.00 N ATOM 0 H ARG A 538 5.016 -1.112 -1.724 1.00 0.00 H new ATOM 0 HA ARG A 538 7.537 -2.235 -0.639 1.00 0.00 H new ATOM 0 HB2 ARG A 538 6.172 -2.598 -3.328 1.00 0.00 H new ATOM 0 HB3 ARG A 538 7.674 -3.350 -2.828 1.00 0.00 H new ATOM 0 HG2 ARG A 538 6.481 -4.495 -0.969 1.00 0.00 H new ATOM 0 HG3 ARG A 538 4.979 -3.744 -1.471 1.00 0.00 H new ATOM 0 HD2 ARG A 538 5.117 -4.906 -3.657 1.00 0.00 H new ATOM 0 HD3 ARG A 538 6.635 -5.640 -3.180 1.00 0.00 H new ATOM 0 HE ARG A 538 4.200 -6.094 -1.502 1.00 0.00 H new ATOM 0 HH11 ARG A 538 6.623 -7.341 -3.753 1.00 0.00 H new ATOM 0 HH12 ARG A 538 6.303 -9.027 -3.334 1.00 0.00 H new ATOM 0 HH21 ARG A 538 3.836 -8.242 -0.937 1.00 0.00 H new ATOM 0 HH22 ARG A 538 4.728 -9.536 -1.744 1.00 0.00 H new ATOM 422 N ILE A 539 8.928 -0.454 -1.507 1.00 0.00 N ATOM 423 CA ILE A 539 9.766 0.633 -1.962 1.00 0.00 C ATOM 424 C ILE A 539 11.020 0.093 -2.630 1.00 0.00 C ATOM 425 O ILE A 539 11.772 -0.693 -2.050 1.00 0.00 O ATOM 426 CB ILE A 539 10.160 1.550 -0.796 1.00 0.00 C ATOM 427 CG1 ILE A 539 8.912 1.936 -0.001 1.00 0.00 C ATOM 428 CG2 ILE A 539 10.867 2.792 -1.316 1.00 0.00 C ATOM 429 CD1 ILE A 539 9.185 2.877 1.144 1.00 0.00 C ATOM 0 H ILE A 539 9.308 -0.984 -0.723 1.00 0.00 H new ATOM 0 HA ILE A 539 9.194 1.214 -2.685 1.00 0.00 H new ATOM 0 HB ILE A 539 10.847 1.017 -0.139 1.00 0.00 H new ATOM 0 HG12 ILE A 539 8.192 2.399 -0.676 1.00 0.00 H new ATOM 0 HG13 ILE A 539 8.447 1.031 0.389 1.00 0.00 H new ATOM 0 HG21 ILE A 539 11.140 3.433 -0.478 1.00 0.00 H new ATOM 0 HG22 ILE A 539 11.767 2.499 -1.857 1.00 0.00 H new ATOM 0 HG23 ILE A 539 10.201 3.336 -1.986 1.00 0.00 H new ATOM 0 HD11 ILE A 539 8.252 3.104 1.659 1.00 0.00 H new ATOM 0 HD12 ILE A 539 9.880 2.409 1.842 1.00 0.00 H new ATOM 0 HD13 ILE A 539 9.621 3.799 0.761 1.00 0.00 H new ATOM 441 N LYS A 540 11.220 0.518 -3.857 1.00 0.00 N ATOM 442 CA LYS A 540 12.342 0.061 -4.650 1.00 0.00 C ATOM 443 C LYS A 540 13.111 1.224 -5.251 1.00 0.00 C ATOM 444 O LYS A 540 12.526 2.237 -5.645 1.00 0.00 O ATOM 445 CB LYS A 540 11.843 -0.884 -5.746 1.00 0.00 C ATOM 446 CG LYS A 540 10.730 -0.294 -6.600 1.00 0.00 C ATOM 447 CD LYS A 540 10.020 -1.361 -7.419 1.00 0.00 C ATOM 448 CE LYS A 540 10.962 -2.052 -8.391 1.00 0.00 C ATOM 449 NZ LYS A 540 10.279 -3.137 -9.139 1.00 0.00 N ATOM 0 H LYS A 540 10.614 1.187 -4.333 1.00 0.00 H new ATOM 0 HA LYS A 540 13.030 -0.476 -3.997 1.00 0.00 H new ATOM 0 HB2 LYS A 540 12.680 -1.153 -6.390 1.00 0.00 H new ATOM 0 HB3 LYS A 540 11.486 -1.805 -5.285 1.00 0.00 H new ATOM 0 HG2 LYS A 540 10.008 0.211 -5.958 1.00 0.00 H new ATOM 0 HG3 LYS A 540 11.146 0.460 -7.268 1.00 0.00 H new ATOM 0 HD2 LYS A 540 9.583 -2.101 -6.749 1.00 0.00 H new ATOM 0 HD3 LYS A 540 9.198 -0.907 -7.972 1.00 0.00 H new ATOM 0 HE2 LYS A 540 11.361 -1.320 -9.094 1.00 0.00 H new ATOM 0 HE3 LYS A 540 11.810 -2.465 -7.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 540 10.953 -3.586 -9.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 540 9.920 -3.848 -8.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 540 9.485 -2.739 -9.680 1.00 0.00 H new ATOM 463 N LYS A 541 14.426 1.082 -5.308 1.00 0.00 N ATOM 464 CA LYS A 541 15.236 2.088 -5.959 1.00 0.00 C ATOM 465 C LYS A 541 14.981 2.012 -7.452 1.00 0.00 C ATOM 466 O LYS A 541 15.083 0.940 -8.055 1.00 0.00 O ATOM 467 CB LYS A 541 16.723 1.872 -5.664 1.00 0.00 C ATOM 468 CG LYS A 541 17.646 2.794 -6.451 1.00 0.00 C ATOM 469 CD LYS A 541 17.544 4.240 -5.990 1.00 0.00 C ATOM 470 CE LYS A 541 18.359 5.162 -6.882 1.00 0.00 C ATOM 471 NZ LYS A 541 18.545 6.510 -6.284 1.00 0.00 N ATOM 0 H LYS A 541 14.943 0.294 -4.918 1.00 0.00 H new ATOM 0 HA LYS A 541 14.966 3.073 -5.579 1.00 0.00 H new ATOM 0 HB2 LYS A 541 16.898 2.021 -4.599 1.00 0.00 H new ATOM 0 HB3 LYS A 541 16.982 0.837 -5.888 1.00 0.00 H new ATOM 0 HG2 LYS A 541 18.675 2.452 -6.344 1.00 0.00 H new ATOM 0 HG3 LYS A 541 17.399 2.734 -7.511 1.00 0.00 H new ATOM 0 HD2 LYS A 541 16.500 4.553 -5.996 1.00 0.00 H new ATOM 0 HD3 LYS A 541 17.895 4.322 -4.961 1.00 0.00 H new ATOM 0 HE2 LYS A 541 19.334 4.713 -7.069 1.00 0.00 H new ATOM 0 HE3 LYS A 541 17.863 5.261 -7.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 541 18.243 7.236 -6.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 541 17.974 6.587 -5.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 541 19.549 6.651 -6.051 1.00 0.00 H new ATOM 485 N GLY A 542 14.624 3.131 -8.036 1.00 0.00 N ATOM 486 CA GLY A 542 14.299 3.148 -9.437 1.00 0.00 C ATOM 487 C GLY A 542 15.481 3.539 -10.283 1.00 0.00 C ATOM 488 O GLY A 542 16.479 4.051 -9.771 1.00 0.00 O ATOM 0 H GLY A 542 14.552 4.033 -7.565 1.00 0.00 H new ATOM 0 HA2 GLY A 542 13.946 2.162 -9.740 1.00 0.00 H new ATOM 0 HA3 GLY A 542 13.481 3.847 -9.611 1.00 0.00 H new ATOM 492 N SER A 543 15.374 3.295 -11.576 1.00 0.00 N ATOM 493 CA SER A 543 16.428 3.650 -12.505 1.00 0.00 C ATOM 494 C SER A 543 16.499 5.162 -12.680 1.00 0.00 C ATOM 495 O SER A 543 17.518 5.701 -13.107 1.00 0.00 O ATOM 496 CB SER A 543 16.179 2.967 -13.845 1.00 0.00 C ATOM 497 OG SER A 543 15.979 1.573 -13.667 1.00 0.00 O ATOM 0 H SER A 543 14.564 2.850 -12.007 1.00 0.00 H new ATOM 0 HA SER A 543 17.384 3.311 -12.106 1.00 0.00 H new ATOM 0 HB2 SER A 543 15.305 3.406 -14.326 1.00 0.00 H new ATOM 0 HB3 SER A 543 17.027 3.136 -14.508 1.00 0.00 H new ATOM 0 HG SER A 543 15.819 1.152 -14.537 1.00 0.00 H new ATOM 503 N HIS A 544 15.410 5.841 -12.339 1.00 0.00 N ATOM 504 CA HIS A 544 15.347 7.291 -12.451 1.00 0.00 C ATOM 505 C HIS A 544 15.359 7.943 -11.072 1.00 0.00 C ATOM 506 O HIS A 544 16.109 8.885 -10.832 1.00 0.00 O ATOM 507 CB HIS A 544 14.094 7.717 -13.222 1.00 0.00 C ATOM 508 CG HIS A 544 13.994 7.104 -14.586 1.00 0.00 C ATOM 509 ND1 HIS A 544 12.821 6.550 -15.040 1.00 0.00 N ATOM 510 CD2 HIS A 544 14.941 6.984 -15.546 1.00 0.00 C ATOM 511 CE1 HIS A 544 13.080 6.108 -16.259 1.00 0.00 C ATOM 512 NE2 HIS A 544 14.350 6.349 -16.606 1.00 0.00 N ATOM 0 H HIS A 544 14.558 5.409 -11.982 1.00 0.00 H new ATOM 0 HA HIS A 544 16.228 7.625 -13.000 1.00 0.00 H new ATOM 0 HB2 HIS A 544 13.211 7.444 -12.644 1.00 0.00 H new ATOM 0 HB3 HIS A 544 14.088 8.803 -13.319 1.00 0.00 H new ATOM 0 HD2 HIS A 544 15.965 7.323 -15.487 1.00 0.00 H new ATOM 0 HE1 HIS A 544 12.359 5.615 -16.894 1.00 0.00 H new ATOM 0 HE2 HIS A 544 14.794 6.106 -17.492 1.00 0.00 H new ATOM 520 N ARG A 545 14.533 7.431 -10.165 1.00 0.00 N ATOM 521 CA ARG A 545 14.409 8.011 -8.830 1.00 0.00 C ATOM 522 C ARG A 545 13.987 6.955 -7.815 1.00 0.00 C ATOM 523 O ARG A 545 13.910 5.774 -8.131 1.00 0.00 O ATOM 524 CB ARG A 545 13.377 9.145 -8.841 1.00 0.00 C ATOM 525 CG ARG A 545 11.963 8.673 -9.152 1.00 0.00 C ATOM 526 CD ARG A 545 10.954 9.804 -9.052 1.00 0.00 C ATOM 527 NE ARG A 545 9.585 9.326 -9.241 1.00 0.00 N ATOM 528 CZ ARG A 545 8.505 10.104 -9.182 1.00 0.00 C ATOM 529 NH1 ARG A 545 8.629 11.406 -8.960 1.00 0.00 N ATOM 530 NH2 ARG A 545 7.299 9.576 -9.342 1.00 0.00 N ATOM 0 H ARG A 545 13.940 6.617 -10.328 1.00 0.00 H new ATOM 0 HA ARG A 545 15.384 8.406 -8.543 1.00 0.00 H new ATOM 0 HB2 ARG A 545 13.382 9.640 -7.870 1.00 0.00 H new ATOM 0 HB3 ARG A 545 13.674 9.890 -9.579 1.00 0.00 H new ATOM 0 HG2 ARG A 545 11.934 8.249 -10.156 1.00 0.00 H new ATOM 0 HG3 ARG A 545 11.686 7.877 -8.461 1.00 0.00 H new ATOM 0 HD2 ARG A 545 11.041 10.284 -8.077 1.00 0.00 H new ATOM 0 HD3 ARG A 545 11.182 10.562 -9.802 1.00 0.00 H new ATOM 0 HE ARG A 545 9.448 8.333 -9.430 1.00 0.00 H new ATOM 0 HH11 ARG A 545 9.554 11.816 -8.834 1.00 0.00 H new ATOM 0 HH12 ARG A 545 7.799 11.997 -8.916 1.00 0.00 H new ATOM 0 HH21 ARG A 545 7.199 8.575 -9.510 1.00 0.00 H new ATOM 0 HH22 ARG A 545 6.472 10.171 -9.297 1.00 0.00 H new ATOM 544 N TRP A 546 13.712 7.397 -6.599 1.00 0.00 N ATOM 545 CA TRP A 546 13.179 6.498 -5.587 1.00 0.00 C ATOM 546 C TRP A 546 11.675 6.386 -5.749 1.00 0.00 C ATOM 547 O TRP A 546 10.969 7.396 -5.766 1.00 0.00 O ATOM 548 CB TRP A 546 13.525 6.968 -4.178 1.00 0.00 C ATOM 549 CG TRP A 546 14.912 6.601 -3.775 1.00 0.00 C ATOM 550 CD1 TRP A 546 16.049 7.315 -4.005 1.00 0.00 C ATOM 551 CD2 TRP A 546 15.308 5.415 -3.081 1.00 0.00 C ATOM 552 NE1 TRP A 546 17.132 6.646 -3.491 1.00 0.00 N ATOM 553 CE2 TRP A 546 16.702 5.479 -2.915 1.00 0.00 C ATOM 554 CE3 TRP A 546 14.618 4.307 -2.580 1.00 0.00 C ATOM 555 CZ2 TRP A 546 17.422 4.477 -2.271 1.00 0.00 C ATOM 556 CZ3 TRP A 546 15.334 3.313 -1.942 1.00 0.00 C ATOM 557 CH2 TRP A 546 16.724 3.404 -1.791 1.00 0.00 C ATOM 0 H TRP A 546 13.846 8.360 -6.290 1.00 0.00 H new ATOM 0 HA TRP A 546 13.637 5.519 -5.727 1.00 0.00 H new ATOM 0 HB2 TRP A 546 13.409 8.050 -4.121 1.00 0.00 H new ATOM 0 HB3 TRP A 546 12.818 6.534 -3.471 1.00 0.00 H new ATOM 0 HD1 TRP A 546 16.092 8.266 -4.516 1.00 0.00 H new ATOM 0 HE1 TRP A 546 18.100 6.966 -3.531 1.00 0.00 H new ATOM 0 HE3 TRP A 546 13.546 4.230 -2.690 1.00 0.00 H new ATOM 0 HZ2 TRP A 546 18.494 4.545 -2.155 1.00 0.00 H new ATOM 0 HZ3 TRP A 546 14.813 2.451 -1.553 1.00 0.00 H new ATOM 0 HH2 TRP A 546 17.255 2.611 -1.285 1.00 0.00 H new ATOM 568 N GLN A 547 11.192 5.162 -5.886 1.00 0.00 N ATOM 569 CA GLN A 547 9.775 4.928 -6.089 1.00 0.00 C ATOM 570 C GLN A 547 9.220 3.906 -5.109 1.00 0.00 C ATOM 571 O GLN A 547 9.941 3.059 -4.581 1.00 0.00 O ATOM 572 CB GLN A 547 9.526 4.470 -7.527 1.00 0.00 C ATOM 573 CG GLN A 547 10.290 3.210 -7.901 1.00 0.00 C ATOM 574 CD GLN A 547 10.161 2.859 -9.368 1.00 0.00 C ATOM 575 OE1 GLN A 547 10.959 3.299 -10.197 1.00 0.00 O ATOM 576 NE2 GLN A 547 9.163 2.057 -9.698 1.00 0.00 N ATOM 0 H GLN A 547 11.762 4.316 -5.860 1.00 0.00 H new ATOM 0 HA GLN A 547 9.254 5.868 -5.908 1.00 0.00 H new ATOM 0 HB2 GLN A 547 8.459 4.293 -7.664 1.00 0.00 H new ATOM 0 HB3 GLN A 547 9.807 5.272 -8.210 1.00 0.00 H new ATOM 0 HG2 GLN A 547 11.344 3.343 -7.655 1.00 0.00 H new ATOM 0 HG3 GLN A 547 9.925 2.377 -7.300 1.00 0.00 H new ATOM 0 HE21 GLN A 547 8.525 1.715 -8.980 1.00 0.00 H new ATOM 0 HE22 GLN A 547 9.032 1.780 -10.671 1.00 0.00 H new ATOM 585 N GLY A 548 7.927 4.003 -4.887 1.00 0.00 N ATOM 586 CA GLY A 548 7.244 3.103 -3.991 1.00 0.00 C ATOM 587 C GLY A 548 5.848 2.813 -4.474 1.00 0.00 C ATOM 588 O GLY A 548 5.243 3.637 -5.164 1.00 0.00 O ATOM 0 H GLY A 548 7.326 4.704 -5.320 1.00 0.00 H new ATOM 0 HA2 GLY A 548 7.805 2.172 -3.909 1.00 0.00 H new ATOM 0 HA3 GLY A 548 7.203 3.540 -2.993 1.00 0.00 H new ATOM 592 N GLU A 549 5.331 1.650 -4.136 1.00 0.00 N ATOM 593 CA GLU A 549 3.991 1.290 -4.549 1.00 0.00 C ATOM 594 C GLU A 549 3.256 0.555 -3.445 1.00 0.00 C ATOM 595 O GLU A 549 3.849 -0.151 -2.627 1.00 0.00 O ATOM 596 CB GLU A 549 4.006 0.456 -5.828 1.00 0.00 C ATOM 597 CG GLU A 549 4.589 -0.926 -5.648 1.00 0.00 C ATOM 598 CD GLU A 549 4.862 -1.610 -6.973 1.00 0.00 C ATOM 599 OE1 GLU A 549 5.949 -1.392 -7.550 1.00 0.00 O ATOM 600 OE2 GLU A 549 3.984 -2.354 -7.456 1.00 0.00 O ATOM 0 H GLU A 549 5.814 0.943 -3.581 1.00 0.00 H new ATOM 0 HA GLU A 549 3.457 2.217 -4.757 1.00 0.00 H new ATOM 0 HB2 GLU A 549 2.987 0.364 -6.203 1.00 0.00 H new ATOM 0 HB3 GLU A 549 4.579 0.986 -6.589 1.00 0.00 H new ATOM 0 HG2 GLU A 549 5.516 -0.856 -5.080 1.00 0.00 H new ATOM 0 HG3 GLU A 549 3.901 -1.535 -5.062 1.00 0.00 H new ATOM 607 N THR A 550 1.966 0.754 -3.442 1.00 0.00 N ATOM 608 CA THR A 550 1.112 0.193 -2.419 1.00 0.00 C ATOM 609 C THR A 550 0.301 -0.975 -2.960 1.00 0.00 C ATOM 610 O THR A 550 -0.361 -0.864 -3.990 1.00 0.00 O ATOM 611 CB THR A 550 0.169 1.257 -1.853 1.00 0.00 C ATOM 612 OG1 THR A 550 0.920 2.262 -1.159 1.00 0.00 O ATOM 613 CG2 THR A 550 -0.848 0.633 -0.923 1.00 0.00 C ATOM 0 H THR A 550 1.474 1.307 -4.144 1.00 0.00 H new ATOM 0 HA THR A 550 1.757 -0.171 -1.619 1.00 0.00 H new ATOM 0 HB THR A 550 -0.364 1.720 -2.683 1.00 0.00 H new ATOM 0 HG1 THR A 550 0.958 3.076 -1.703 1.00 0.00 H new ATOM 0 HG21 THR A 550 -1.508 1.408 -0.533 1.00 0.00 H new ATOM 0 HG22 THR A 550 -1.437 -0.104 -1.469 1.00 0.00 H new ATOM 0 HG23 THR A 550 -0.333 0.144 -0.096 1.00 0.00 H new ATOM 621 N TRP A 551 0.405 -2.102 -2.289 1.00 0.00 N ATOM 622 CA TRP A 551 -0.310 -3.289 -2.696 1.00 0.00 C ATOM 623 C TRP A 551 -1.434 -3.601 -1.713 1.00 0.00 C ATOM 624 O TRP A 551 -1.332 -3.341 -0.513 1.00 0.00 O ATOM 625 CB TRP A 551 0.634 -4.484 -2.799 1.00 0.00 C ATOM 626 CG TRP A 551 1.315 -4.574 -4.125 1.00 0.00 C ATOM 627 CD1 TRP A 551 2.214 -3.695 -4.641 1.00 0.00 C ATOM 628 CD2 TRP A 551 1.141 -5.599 -5.107 1.00 0.00 C ATOM 629 NE1 TRP A 551 2.613 -4.107 -5.889 1.00 0.00 N ATOM 630 CE2 TRP A 551 1.970 -5.277 -6.195 1.00 0.00 C ATOM 631 CE3 TRP A 551 0.365 -6.759 -5.170 1.00 0.00 C ATOM 632 CZ2 TRP A 551 2.044 -6.073 -7.335 1.00 0.00 C ATOM 633 CZ3 TRP A 551 0.439 -7.547 -6.301 1.00 0.00 C ATOM 634 CH2 TRP A 551 1.275 -7.202 -7.370 1.00 0.00 C ATOM 0 H TRP A 551 0.981 -2.220 -1.456 1.00 0.00 H new ATOM 0 HA TRP A 551 -0.741 -3.099 -3.679 1.00 0.00 H new ATOM 0 HB2 TRP A 551 1.387 -4.415 -2.014 1.00 0.00 H new ATOM 0 HB3 TRP A 551 0.072 -5.401 -2.622 1.00 0.00 H new ATOM 0 HD1 TRP A 551 2.564 -2.803 -4.143 1.00 0.00 H new ATOM 0 HE1 TRP A 551 3.279 -3.621 -6.490 1.00 0.00 H new ATOM 0 HE3 TRP A 551 -0.281 -7.034 -4.349 1.00 0.00 H new ATOM 0 HZ2 TRP A 551 2.686 -5.808 -8.162 1.00 0.00 H new ATOM 0 HZ3 TRP A 551 -0.158 -8.445 -6.362 1.00 0.00 H new ATOM 0 HH2 TRP A 551 1.313 -7.841 -8.240 1.00 0.00 H new ATOM 645 N TYR A 552 -2.494 -4.153 -2.260 1.00 0.00 N ATOM 646 CA TYR A 552 -3.643 -4.584 -1.469 1.00 0.00 C ATOM 647 C TYR A 552 -4.032 -6.003 -1.840 1.00 0.00 C ATOM 648 O TYR A 552 -3.778 -6.454 -2.957 1.00 0.00 O ATOM 649 CB TYR A 552 -4.845 -3.654 -1.685 1.00 0.00 C ATOM 650 CG TYR A 552 -4.911 -2.444 -0.767 1.00 0.00 C ATOM 651 CD1 TYR A 552 -4.223 -1.272 -1.057 1.00 0.00 C ATOM 652 CD2 TYR A 552 -5.708 -2.464 0.372 1.00 0.00 C ATOM 653 CE1 TYR A 552 -4.327 -0.162 -0.243 1.00 0.00 C ATOM 654 CE2 TYR A 552 -5.808 -1.358 1.196 1.00 0.00 C ATOM 655 CZ TYR A 552 -5.117 -0.211 0.882 1.00 0.00 C ATOM 656 OH TYR A 552 -5.226 0.902 1.686 1.00 0.00 O ATOM 0 H TYR A 552 -2.592 -4.319 -3.262 1.00 0.00 H new ATOM 0 HA TYR A 552 -3.357 -4.545 -0.418 1.00 0.00 H new ATOM 0 HB2 TYR A 552 -4.831 -3.304 -2.717 1.00 0.00 H new ATOM 0 HB3 TYR A 552 -5.759 -4.235 -1.558 1.00 0.00 H new ATOM 0 HD1 TYR A 552 -3.596 -1.229 -1.935 1.00 0.00 H new ATOM 0 HD2 TYR A 552 -6.259 -3.360 0.618 1.00 0.00 H new ATOM 0 HE1 TYR A 552 -3.790 0.742 -0.489 1.00 0.00 H new ATOM 0 HE2 TYR A 552 -6.425 -1.395 2.081 1.00 0.00 H new ATOM 0 HH TYR A 552 -5.822 0.705 2.439 1.00 0.00 H new ATOM 666 N TYR A 553 -4.636 -6.716 -0.906 1.00 0.00 N ATOM 667 CA TYR A 553 -5.059 -8.085 -1.146 1.00 0.00 C ATOM 668 C TYR A 553 -6.475 -8.294 -0.632 1.00 0.00 C ATOM 669 O TYR A 553 -6.792 -7.917 0.499 1.00 0.00 O ATOM 670 CB TYR A 553 -4.106 -9.066 -0.446 1.00 0.00 C ATOM 671 CG TYR A 553 -2.648 -8.895 -0.828 1.00 0.00 C ATOM 672 CD1 TYR A 553 -1.865 -7.905 -0.243 1.00 0.00 C ATOM 673 CD2 TYR A 553 -2.057 -9.717 -1.778 1.00 0.00 C ATOM 674 CE1 TYR A 553 -0.540 -7.741 -0.596 1.00 0.00 C ATOM 675 CE2 TYR A 553 -0.732 -9.559 -2.136 1.00 0.00 C ATOM 676 CZ TYR A 553 0.022 -8.570 -1.542 1.00 0.00 C ATOM 677 OH TYR A 553 1.341 -8.405 -1.899 1.00 0.00 O ATOM 0 H TYR A 553 -4.845 -6.368 0.030 1.00 0.00 H new ATOM 0 HA TYR A 553 -5.037 -8.271 -2.220 1.00 0.00 H new ATOM 0 HB2 TYR A 553 -4.204 -8.944 0.633 1.00 0.00 H new ATOM 0 HB3 TYR A 553 -4.414 -10.085 -0.681 1.00 0.00 H new ATOM 0 HD1 TYR A 553 -2.301 -7.254 0.500 1.00 0.00 H new ATOM 0 HD2 TYR A 553 -2.644 -10.494 -2.246 1.00 0.00 H new ATOM 0 HE1 TYR A 553 0.053 -6.966 -0.133 1.00 0.00 H new ATOM 0 HE2 TYR A 553 -0.289 -10.207 -2.878 1.00 0.00 H new ATOM 0 HH TYR A 553 1.880 -8.246 -1.096 1.00 0.00 H new ATOM 687 N GLY A 554 -7.324 -8.873 -1.469 1.00 0.00 N ATOM 688 CA GLY A 554 -8.674 -9.190 -1.056 1.00 0.00 C ATOM 689 C GLY A 554 -8.699 -10.320 -0.046 1.00 0.00 C ATOM 690 O GLY A 554 -8.019 -11.330 -0.233 1.00 0.00 O ATOM 0 H GLY A 554 -7.100 -9.129 -2.430 1.00 0.00 H new ATOM 0 HA2 GLY A 554 -9.140 -8.305 -0.623 1.00 0.00 H new ATOM 0 HA3 GLY A 554 -9.266 -9.468 -1.928 1.00 0.00 H new ATOM 694 N PRO A 555 -9.474 -10.176 1.036 1.00 0.00 N ATOM 695 CA PRO A 555 -9.532 -11.171 2.115 1.00 0.00 C ATOM 696 C PRO A 555 -10.265 -12.445 1.706 1.00 0.00 C ATOM 697 O PRO A 555 -10.227 -13.452 2.413 1.00 0.00 O ATOM 698 CB PRO A 555 -10.312 -10.450 3.215 1.00 0.00 C ATOM 699 CG PRO A 555 -11.151 -9.448 2.498 1.00 0.00 C ATOM 700 CD PRO A 555 -10.356 -9.023 1.296 1.00 0.00 C ATOM 0 HA PRO A 555 -8.536 -11.500 2.412 1.00 0.00 H new ATOM 0 HB2 PRO A 555 -10.928 -11.147 3.784 1.00 0.00 H new ATOM 0 HB3 PRO A 555 -9.640 -9.967 3.924 1.00 0.00 H new ATOM 0 HG2 PRO A 555 -12.106 -9.881 2.200 1.00 0.00 H new ATOM 0 HG3 PRO A 555 -11.373 -8.595 3.140 1.00 0.00 H new ATOM 0 HD2 PRO A 555 -11.001 -8.812 0.443 1.00 0.00 H new ATOM 0 HD3 PRO A 555 -9.783 -8.117 1.494 1.00 0.00 H new ATOM 708 N CYS A 556 -10.925 -12.390 0.563 1.00 0.00 N ATOM 709 CA CYS A 556 -11.762 -13.484 0.106 1.00 0.00 C ATOM 710 C CYS A 556 -11.563 -13.745 -1.381 1.00 0.00 C ATOM 711 O CYS A 556 -12.277 -14.552 -1.978 1.00 0.00 O ATOM 712 CB CYS A 556 -13.232 -13.172 0.399 1.00 0.00 C ATOM 713 SG CYS A 556 -13.773 -11.552 -0.195 1.00 0.00 S ATOM 0 H CYS A 556 -10.896 -11.591 -0.071 1.00 0.00 H new ATOM 0 HA CYS A 556 -11.472 -14.386 0.645 1.00 0.00 H new ATOM 0 HB2 CYS A 556 -13.854 -13.941 -0.058 1.00 0.00 H new ATOM 0 HB3 CYS A 556 -13.397 -13.227 1.475 1.00 0.00 H new ATOM 0 HG CYS A 556 -12.975 -11.147 -1.138 1.00 0.00 H new ATOM 719 N GLY A 557 -10.595 -13.066 -1.986 1.00 0.00 N ATOM 720 CA GLY A 557 -10.493 -13.082 -3.428 1.00 0.00 C ATOM 721 C GLY A 557 -9.095 -12.779 -3.929 1.00 0.00 C ATOM 722 O GLY A 557 -8.099 -13.206 -3.340 1.00 0.00 O ATOM 0 H GLY A 557 -9.886 -12.510 -1.507 1.00 0.00 H new ATOM 0 HA2 GLY A 557 -10.801 -14.060 -3.797 1.00 0.00 H new ATOM 0 HA3 GLY A 557 -11.188 -12.352 -3.843 1.00 0.00 H new ATOM 726 N LYS A 558 -9.045 -12.027 -5.015 1.00 0.00 N ATOM 727 CA LYS A 558 -7.794 -11.707 -5.698 1.00 0.00 C ATOM 728 C LYS A 558 -7.067 -10.560 -5.006 1.00 0.00 C ATOM 729 O LYS A 558 -7.516 -10.064 -3.971 1.00 0.00 O ATOM 730 CB LYS A 558 -8.034 -11.368 -7.181 1.00 0.00 C ATOM 731 CG LYS A 558 -9.238 -10.473 -7.466 1.00 0.00 C ATOM 732 CD LYS A 558 -10.498 -11.302 -7.689 1.00 0.00 C ATOM 733 CE LYS A 558 -11.653 -10.466 -8.201 1.00 0.00 C ATOM 734 NZ LYS A 558 -12.859 -11.300 -8.440 1.00 0.00 N ATOM 0 H LYS A 558 -9.871 -11.618 -5.453 1.00 0.00 H new ATOM 0 HA LYS A 558 -7.163 -12.595 -5.649 1.00 0.00 H new ATOM 0 HB2 LYS A 558 -7.141 -10.881 -7.573 1.00 0.00 H new ATOM 0 HB3 LYS A 558 -8.158 -12.300 -7.733 1.00 0.00 H new ATOM 0 HG2 LYS A 558 -9.392 -9.789 -6.631 1.00 0.00 H new ATOM 0 HG3 LYS A 558 -9.040 -9.862 -8.347 1.00 0.00 H new ATOM 0 HD2 LYS A 558 -10.285 -12.098 -8.402 1.00 0.00 H new ATOM 0 HD3 LYS A 558 -10.786 -11.781 -6.753 1.00 0.00 H new ATOM 0 HE2 LYS A 558 -11.887 -9.684 -7.479 1.00 0.00 H new ATOM 0 HE3 LYS A 558 -11.363 -9.969 -9.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 558 -13.633 -10.699 -8.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 558 -12.641 -12.031 -9.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 558 -13.149 -11.754 -7.550 1.00 0.00 H new ATOM 748 N ARG A 559 -5.943 -10.140 -5.569 1.00 0.00 N ATOM 749 CA ARG A 559 -5.206 -9.026 -5.003 1.00 0.00 C ATOM 750 C ARG A 559 -5.109 -7.891 -6.009 1.00 0.00 C ATOM 751 O ARG A 559 -4.866 -8.106 -7.199 1.00 0.00 O ATOM 752 CB ARG A 559 -3.816 -9.453 -4.499 1.00 0.00 C ATOM 753 CG ARG A 559 -2.677 -9.337 -5.505 1.00 0.00 C ATOM 754 CD ARG A 559 -2.711 -10.432 -6.554 1.00 0.00 C ATOM 755 NE ARG A 559 -1.472 -10.473 -7.331 1.00 0.00 N ATOM 756 CZ ARG A 559 -1.418 -10.663 -8.647 1.00 0.00 C ATOM 757 NH1 ARG A 559 -2.534 -10.824 -9.349 1.00 0.00 N ATOM 758 NH2 ARG A 559 -0.242 -10.697 -9.258 1.00 0.00 N ATOM 0 H ARG A 559 -5.528 -10.549 -6.406 1.00 0.00 H new ATOM 0 HA ARG A 559 -5.757 -8.668 -4.133 1.00 0.00 H new ATOM 0 HB2 ARG A 559 -3.567 -8.850 -3.626 1.00 0.00 H new ATOM 0 HB3 ARG A 559 -3.875 -10.489 -4.164 1.00 0.00 H new ATOM 0 HG2 ARG A 559 -2.729 -8.366 -5.997 1.00 0.00 H new ATOM 0 HG3 ARG A 559 -1.725 -9.375 -4.976 1.00 0.00 H new ATOM 0 HD2 ARG A 559 -2.869 -11.396 -6.070 1.00 0.00 H new ATOM 0 HD3 ARG A 559 -3.556 -10.269 -7.223 1.00 0.00 H new ATOM 0 HE ARG A 559 -0.592 -10.348 -6.831 1.00 0.00 H new ATOM 0 HH11 ARG A 559 -3.439 -10.802 -8.880 1.00 0.00 H new ATOM 0 HH12 ARG A 559 -2.486 -10.969 -10.357 1.00 0.00 H new ATOM 0 HH21 ARG A 559 0.616 -10.578 -8.720 1.00 0.00 H new ATOM 0 HH22 ARG A 559 -0.195 -10.842 -10.267 1.00 0.00 H new ATOM 772 N MET A 560 -5.339 -6.690 -5.522 1.00 0.00 N ATOM 773 CA MET A 560 -5.358 -5.521 -6.373 1.00 0.00 C ATOM 774 C MET A 560 -4.383 -4.477 -5.862 1.00 0.00 C ATOM 775 O MET A 560 -4.192 -4.330 -4.661 1.00 0.00 O ATOM 776 CB MET A 560 -6.771 -4.928 -6.461 1.00 0.00 C ATOM 777 CG MET A 560 -7.823 -5.880 -7.030 1.00 0.00 C ATOM 778 SD MET A 560 -8.322 -7.177 -5.877 1.00 0.00 S ATOM 779 CE MET A 560 -8.838 -6.196 -4.473 1.00 0.00 C ATOM 0 H MET A 560 -5.516 -6.498 -4.536 1.00 0.00 H new ATOM 0 HA MET A 560 -5.053 -5.828 -7.373 1.00 0.00 H new ATOM 0 HB2 MET A 560 -7.083 -4.615 -5.464 1.00 0.00 H new ATOM 0 HB3 MET A 560 -6.737 -4.032 -7.080 1.00 0.00 H new ATOM 0 HG2 MET A 560 -8.702 -5.305 -7.320 1.00 0.00 H new ATOM 0 HG3 MET A 560 -7.431 -6.342 -7.936 1.00 0.00 H new ATOM 0 HE1 MET A 560 -9.571 -6.753 -3.890 1.00 0.00 H new ATOM 0 HE2 MET A 560 -7.973 -5.971 -3.849 1.00 0.00 H new ATOM 0 HE3 MET A 560 -9.285 -5.266 -4.824 1.00 0.00 H new ATOM 789 N LYS A 561 -3.775 -3.745 -6.775 1.00 0.00 N ATOM 790 CA LYS A 561 -2.838 -2.705 -6.399 1.00 0.00 C ATOM 791 C LYS A 561 -3.052 -1.469 -7.264 1.00 0.00 C ATOM 792 O LYS A 561 -2.257 -0.528 -7.255 1.00 0.00 O ATOM 793 CB LYS A 561 -1.395 -3.208 -6.471 1.00 0.00 C ATOM 794 CG LYS A 561 -0.973 -3.779 -7.818 1.00 0.00 C ATOM 795 CD LYS A 561 -0.325 -2.732 -8.706 1.00 0.00 C ATOM 796 CE LYS A 561 0.995 -2.250 -8.126 1.00 0.00 C ATOM 797 NZ LYS A 561 1.735 -1.370 -9.065 1.00 0.00 N ATOM 0 H LYS A 561 -3.913 -3.851 -7.780 1.00 0.00 H new ATOM 0 HA LYS A 561 -3.024 -2.426 -5.362 1.00 0.00 H new ATOM 0 HB2 LYS A 561 -0.727 -2.384 -6.218 1.00 0.00 H new ATOM 0 HB3 LYS A 561 -1.256 -3.976 -5.710 1.00 0.00 H new ATOM 0 HG2 LYS A 561 -0.275 -4.601 -7.660 1.00 0.00 H new ATOM 0 HG3 LYS A 561 -1.845 -4.194 -8.324 1.00 0.00 H new ATOM 0 HD2 LYS A 561 -0.157 -3.149 -9.699 1.00 0.00 H new ATOM 0 HD3 LYS A 561 -1.002 -1.886 -8.826 1.00 0.00 H new ATOM 0 HE2 LYS A 561 0.806 -1.710 -7.198 1.00 0.00 H new ATOM 0 HE3 LYS A 561 1.614 -3.111 -7.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 561 2.749 -1.394 -8.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 561 1.592 -1.704 -10.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 561 1.383 -0.395 -8.977 1.00 0.00 H new ATOM 811 N GLN A 562 -4.150 -1.489 -8.001 1.00 0.00 N ATOM 812 CA GLN A 562 -4.583 -0.345 -8.776 1.00 0.00 C ATOM 813 C GLN A 562 -5.938 0.111 -8.269 1.00 0.00 C ATOM 814 O GLN A 562 -6.767 -0.712 -7.876 1.00 0.00 O ATOM 815 CB GLN A 562 -4.685 -0.705 -10.258 1.00 0.00 C ATOM 816 CG GLN A 562 -3.388 -1.218 -10.861 1.00 0.00 C ATOM 817 CD GLN A 562 -2.272 -0.189 -10.846 1.00 0.00 C ATOM 818 OE1 GLN A 562 -1.096 -0.534 -10.735 1.00 0.00 O ATOM 819 NE2 GLN A 562 -2.625 1.079 -10.983 1.00 0.00 N ATOM 0 H GLN A 562 -4.764 -2.300 -8.077 1.00 0.00 H new ATOM 0 HA GLN A 562 -3.852 0.456 -8.665 1.00 0.00 H new ATOM 0 HB2 GLN A 562 -5.457 -1.464 -10.385 1.00 0.00 H new ATOM 0 HB3 GLN A 562 -5.009 0.175 -10.814 1.00 0.00 H new ATOM 0 HG2 GLN A 562 -3.065 -2.103 -10.312 1.00 0.00 H new ATOM 0 HG3 GLN A 562 -3.572 -1.530 -11.889 1.00 0.00 H new ATOM 0 HE21 GLN A 562 -3.610 1.327 -11.072 1.00 0.00 H new ATOM 0 HE22 GLN A 562 -1.912 1.808 -10.999 1.00 0.00 H new ATOM 828 N PHE A 563 -6.160 1.413 -8.286 1.00 0.00 N ATOM 829 CA PHE A 563 -7.435 1.981 -7.866 1.00 0.00 C ATOM 830 C PHE A 563 -8.603 1.409 -8.679 1.00 0.00 C ATOM 831 O PHE A 563 -9.586 0.945 -8.098 1.00 0.00 O ATOM 832 CB PHE A 563 -7.401 3.505 -7.982 1.00 0.00 C ATOM 833 CG PHE A 563 -8.606 4.182 -7.396 1.00 0.00 C ATOM 834 CD1 PHE A 563 -9.006 3.909 -6.098 1.00 0.00 C ATOM 835 CD2 PHE A 563 -9.335 5.095 -8.138 1.00 0.00 C ATOM 836 CE1 PHE A 563 -10.107 4.536 -5.551 1.00 0.00 C ATOM 837 CE2 PHE A 563 -10.436 5.727 -7.596 1.00 0.00 C ATOM 838 CZ PHE A 563 -10.822 5.449 -6.300 1.00 0.00 C ATOM 0 H PHE A 563 -5.472 2.103 -8.587 1.00 0.00 H new ATOM 0 HA PHE A 563 -7.593 1.708 -6.823 1.00 0.00 H new ATOM 0 HB2 PHE A 563 -6.507 3.879 -7.483 1.00 0.00 H new ATOM 0 HB3 PHE A 563 -7.317 3.779 -9.034 1.00 0.00 H new ATOM 0 HD1 PHE A 563 -8.449 3.197 -5.507 1.00 0.00 H new ATOM 0 HD2 PHE A 563 -9.039 5.316 -9.153 1.00 0.00 H new ATOM 0 HE1 PHE A 563 -10.409 4.313 -4.538 1.00 0.00 H new ATOM 0 HE2 PHE A 563 -10.995 6.439 -8.185 1.00 0.00 H new ATOM 0 HZ PHE A 563 -11.681 5.945 -5.873 1.00 0.00 H new ATOM 848 N PRO A 564 -8.514 1.401 -10.031 1.00 0.00 N ATOM 849 CA PRO A 564 -9.590 0.884 -10.886 1.00 0.00 C ATOM 850 C PRO A 564 -9.835 -0.609 -10.679 1.00 0.00 C ATOM 851 O PRO A 564 -10.875 -1.130 -11.071 1.00 0.00 O ATOM 852 CB PRO A 564 -9.091 1.151 -12.307 1.00 0.00 C ATOM 853 CG PRO A 564 -7.618 1.270 -12.173 1.00 0.00 C ATOM 854 CD PRO A 564 -7.381 1.897 -10.836 1.00 0.00 C ATOM 0 HA PRO A 564 -10.543 1.363 -10.662 1.00 0.00 H new ATOM 0 HB2 PRO A 564 -9.363 0.339 -12.981 1.00 0.00 H new ATOM 0 HB3 PRO A 564 -9.527 2.063 -12.715 1.00 0.00 H new ATOM 0 HG2 PRO A 564 -7.139 0.293 -12.237 1.00 0.00 H new ATOM 0 HG3 PRO A 564 -7.201 1.883 -12.972 1.00 0.00 H new ATOM 0 HD2 PRO A 564 -6.423 1.595 -10.413 1.00 0.00 H new ATOM 0 HD3 PRO A 564 -7.374 2.985 -10.896 1.00 0.00 H new ATOM 862 N GLU A 565 -8.894 -1.287 -10.029 1.00 0.00 N ATOM 863 CA GLU A 565 -9.043 -2.701 -9.701 1.00 0.00 C ATOM 864 C GLU A 565 -9.788 -2.881 -8.384 1.00 0.00 C ATOM 865 O GLU A 565 -10.437 -3.901 -8.152 1.00 0.00 O ATOM 866 CB GLU A 565 -7.674 -3.374 -9.632 1.00 0.00 C ATOM 867 CG GLU A 565 -6.961 -3.439 -10.971 1.00 0.00 C ATOM 868 CD GLU A 565 -7.696 -4.291 -11.980 1.00 0.00 C ATOM 869 OE1 GLU A 565 -7.880 -5.497 -11.724 1.00 0.00 O ATOM 870 OE2 GLU A 565 -8.097 -3.759 -13.034 1.00 0.00 O ATOM 0 H GLU A 565 -8.014 -0.876 -9.717 1.00 0.00 H new ATOM 0 HA GLU A 565 -9.630 -3.173 -10.489 1.00 0.00 H new ATOM 0 HB2 GLU A 565 -7.048 -2.833 -8.922 1.00 0.00 H new ATOM 0 HB3 GLU A 565 -7.795 -4.386 -9.244 1.00 0.00 H new ATOM 0 HG2 GLU A 565 -6.847 -2.430 -11.367 1.00 0.00 H new ATOM 0 HG3 GLU A 565 -5.958 -3.839 -10.825 1.00 0.00 H new ATOM 877 N VAL A 566 -9.681 -1.892 -7.519 1.00 0.00 N ATOM 878 CA VAL A 566 -10.382 -1.938 -6.250 1.00 0.00 C ATOM 879 C VAL A 566 -11.857 -1.582 -6.445 1.00 0.00 C ATOM 880 O VAL A 566 -12.741 -2.273 -5.938 1.00 0.00 O ATOM 881 CB VAL A 566 -9.724 -1.020 -5.193 1.00 0.00 C ATOM 882 CG1 VAL A 566 -10.616 -0.876 -3.969 1.00 0.00 C ATOM 883 CG2 VAL A 566 -8.357 -1.574 -4.787 1.00 0.00 C ATOM 0 H VAL A 566 -9.121 -1.053 -7.669 1.00 0.00 H new ATOM 0 HA VAL A 566 -10.316 -2.958 -5.871 1.00 0.00 H new ATOM 0 HB VAL A 566 -9.589 -0.033 -5.636 1.00 0.00 H new ATOM 0 HG11 VAL A 566 -10.132 -0.226 -3.240 1.00 0.00 H new ATOM 0 HG12 VAL A 566 -11.571 -0.442 -4.264 1.00 0.00 H new ATOM 0 HG13 VAL A 566 -10.785 -1.857 -3.525 1.00 0.00 H new ATOM 0 HG21 VAL A 566 -7.905 -0.918 -4.043 1.00 0.00 H new ATOM 0 HG22 VAL A 566 -8.479 -2.572 -4.365 1.00 0.00 H new ATOM 0 HG23 VAL A 566 -7.711 -1.627 -5.663 1.00 0.00 H new ATOM 893 N ILE A 567 -12.116 -0.520 -7.213 1.00 0.00 N ATOM 894 CA ILE A 567 -13.494 -0.074 -7.488 1.00 0.00 C ATOM 895 C ILE A 567 -14.330 -1.180 -8.129 1.00 0.00 C ATOM 896 O ILE A 567 -15.531 -1.297 -7.876 1.00 0.00 O ATOM 897 CB ILE A 567 -13.531 1.154 -8.422 1.00 0.00 C ATOM 898 CG1 ILE A 567 -12.419 2.128 -8.059 1.00 0.00 C ATOM 899 CG2 ILE A 567 -14.886 1.845 -8.330 1.00 0.00 C ATOM 900 CD1 ILE A 567 -12.443 2.548 -6.610 1.00 0.00 C ATOM 0 H ILE A 567 -11.395 0.049 -7.657 1.00 0.00 H new ATOM 0 HA ILE A 567 -13.914 0.193 -6.518 1.00 0.00 H new ATOM 0 HB ILE A 567 -13.378 0.817 -9.447 1.00 0.00 H new ATOM 0 HG12 ILE A 567 -11.456 1.668 -8.281 1.00 0.00 H new ATOM 0 HG13 ILE A 567 -12.502 3.014 -8.688 1.00 0.00 H new ATOM 0 HG21 ILE A 567 -14.899 2.710 -8.994 1.00 0.00 H new ATOM 0 HG22 ILE A 567 -15.670 1.148 -8.626 1.00 0.00 H new ATOM 0 HG23 ILE A 567 -15.059 2.172 -7.305 1.00 0.00 H new ATOM 0 HD11 ILE A 567 -11.624 3.242 -6.419 1.00 0.00 H new ATOM 0 HD12 ILE A 567 -13.392 3.036 -6.388 1.00 0.00 H new ATOM 0 HD13 ILE A 567 -12.330 1.670 -5.975 1.00 0.00 H new ATOM 912 N LYS A 568 -13.680 -2.009 -8.930 1.00 0.00 N ATOM 913 CA LYS A 568 -14.389 -3.098 -9.585 1.00 0.00 C ATOM 914 C LYS A 568 -14.702 -4.205 -8.595 1.00 0.00 C ATOM 915 O LYS A 568 -15.784 -4.776 -8.618 1.00 0.00 O ATOM 916 CB LYS A 568 -13.623 -3.633 -10.799 1.00 0.00 C ATOM 917 CG LYS A 568 -12.205 -4.062 -10.494 1.00 0.00 C ATOM 918 CD LYS A 568 -11.486 -4.575 -11.734 1.00 0.00 C ATOM 919 CE LYS A 568 -11.391 -3.505 -12.810 1.00 0.00 C ATOM 920 NZ LYS A 568 -10.565 -3.942 -13.965 1.00 0.00 N ATOM 0 H LYS A 568 -12.683 -1.953 -9.140 1.00 0.00 H new ATOM 0 HA LYS A 568 -15.332 -2.699 -9.959 1.00 0.00 H new ATOM 0 HB2 LYS A 568 -14.167 -4.482 -11.213 1.00 0.00 H new ATOM 0 HB3 LYS A 568 -13.600 -2.862 -11.569 1.00 0.00 H new ATOM 0 HG2 LYS A 568 -11.653 -3.220 -10.077 1.00 0.00 H new ATOM 0 HG3 LYS A 568 -12.218 -4.843 -9.733 1.00 0.00 H new ATOM 0 HD2 LYS A 568 -10.484 -4.908 -11.462 1.00 0.00 H new ATOM 0 HD3 LYS A 568 -12.015 -5.443 -12.129 1.00 0.00 H new ATOM 0 HE2 LYS A 568 -12.393 -3.251 -13.157 1.00 0.00 H new ATOM 0 HE3 LYS A 568 -10.963 -2.599 -12.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 568 -10.678 -3.267 -14.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 568 -9.565 -3.980 -13.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 568 -10.873 -4.886 -14.275 1.00 0.00 H new ATOM 934 N TYR A 569 -13.772 -4.471 -7.689 1.00 0.00 N ATOM 935 CA TYR A 569 -13.913 -5.550 -6.726 1.00 0.00 C ATOM 936 C TYR A 569 -15.078 -5.260 -5.791 1.00 0.00 C ATOM 937 O TYR A 569 -15.871 -6.148 -5.471 1.00 0.00 O ATOM 938 CB TYR A 569 -12.603 -5.693 -5.940 1.00 0.00 C ATOM 939 CG TYR A 569 -12.528 -6.890 -5.016 1.00 0.00 C ATOM 940 CD1 TYR A 569 -13.085 -6.848 -3.743 1.00 0.00 C ATOM 941 CD2 TYR A 569 -11.867 -8.050 -5.406 1.00 0.00 C ATOM 942 CE1 TYR A 569 -12.985 -7.928 -2.885 1.00 0.00 C ATOM 943 CE2 TYR A 569 -11.768 -9.135 -4.559 1.00 0.00 C ATOM 944 CZ TYR A 569 -12.326 -9.071 -3.299 1.00 0.00 C ATOM 945 OH TYR A 569 -12.210 -10.146 -2.449 1.00 0.00 O ATOM 0 H TYR A 569 -12.902 -3.946 -7.602 1.00 0.00 H new ATOM 0 HA TYR A 569 -14.120 -6.487 -7.244 1.00 0.00 H new ATOM 0 HB2 TYR A 569 -11.778 -5.751 -6.650 1.00 0.00 H new ATOM 0 HB3 TYR A 569 -12.453 -4.789 -5.349 1.00 0.00 H new ATOM 0 HD1 TYR A 569 -13.604 -5.958 -3.419 1.00 0.00 H new ATOM 0 HD2 TYR A 569 -11.423 -8.103 -6.389 1.00 0.00 H new ATOM 0 HE1 TYR A 569 -13.419 -7.879 -1.897 1.00 0.00 H new ATOM 0 HE2 TYR A 569 -11.256 -10.030 -4.881 1.00 0.00 H new ATOM 0 HH TYR A 569 -11.275 -10.439 -2.418 1.00 0.00 H new ATOM 955 N LEU A 570 -15.188 -4.000 -5.389 1.00 0.00 N ATOM 956 CA LEU A 570 -16.240 -3.561 -4.484 1.00 0.00 C ATOM 957 C LEU A 570 -17.597 -3.638 -5.172 1.00 0.00 C ATOM 958 O LEU A 570 -18.589 -4.045 -4.574 1.00 0.00 O ATOM 959 CB LEU A 570 -15.979 -2.125 -4.029 1.00 0.00 C ATOM 960 CG LEU A 570 -14.564 -1.839 -3.526 1.00 0.00 C ATOM 961 CD1 LEU A 570 -14.458 -0.412 -3.022 1.00 0.00 C ATOM 962 CD2 LEU A 570 -14.164 -2.822 -2.439 1.00 0.00 C ATOM 0 H LEU A 570 -14.553 -3.257 -5.680 1.00 0.00 H new ATOM 0 HA LEU A 570 -16.243 -4.219 -3.615 1.00 0.00 H new ATOM 0 HB2 LEU A 570 -16.192 -1.455 -4.862 1.00 0.00 H new ATOM 0 HB3 LEU A 570 -16.684 -1.881 -3.235 1.00 0.00 H new ATOM 0 HG LEU A 570 -13.875 -1.963 -4.362 1.00 0.00 H new ATOM 0 HD11 LEU A 570 -13.444 -0.226 -2.668 1.00 0.00 H new ATOM 0 HD12 LEU A 570 -14.692 0.278 -3.832 1.00 0.00 H new ATOM 0 HD13 LEU A 570 -15.162 -0.262 -2.203 1.00 0.00 H new ATOM 0 HD21 LEU A 570 -13.153 -2.597 -2.099 1.00 0.00 H new ATOM 0 HD22 LEU A 570 -14.856 -2.739 -1.601 1.00 0.00 H new ATOM 0 HD23 LEU A 570 -14.195 -3.836 -2.836 1.00 0.00 H new ATOM 974 N SER A 571 -17.622 -3.242 -6.435 1.00 0.00 N ATOM 975 CA SER A 571 -18.850 -3.206 -7.216 1.00 0.00 C ATOM 976 C SER A 571 -19.335 -4.610 -7.581 1.00 0.00 C ATOM 977 O SER A 571 -20.534 -4.896 -7.532 1.00 0.00 O ATOM 978 CB SER A 571 -18.615 -2.382 -8.480 1.00 0.00 C ATOM 979 OG SER A 571 -18.246 -1.052 -8.152 1.00 0.00 O ATOM 0 H SER A 571 -16.794 -2.937 -6.947 1.00 0.00 H new ATOM 0 HA SER A 571 -19.629 -2.745 -6.609 1.00 0.00 H new ATOM 0 HB2 SER A 571 -17.831 -2.844 -9.081 1.00 0.00 H new ATOM 0 HB3 SER A 571 -19.520 -2.374 -9.088 1.00 0.00 H new ATOM 0 HG SER A 571 -17.270 -0.990 -8.085 1.00 0.00 H new ATOM 985 N ARG A 572 -18.398 -5.481 -7.939 1.00 0.00 N ATOM 986 CA ARG A 572 -18.724 -6.843 -8.355 1.00 0.00 C ATOM 987 C ARG A 572 -19.152 -7.690 -7.161 1.00 0.00 C ATOM 988 O ARG A 572 -19.900 -8.658 -7.306 1.00 0.00 O ATOM 989 CB ARG A 572 -17.515 -7.474 -9.057 1.00 0.00 C ATOM 990 CG ARG A 572 -17.087 -6.711 -10.301 1.00 0.00 C ATOM 991 CD ARG A 572 -15.757 -7.204 -10.853 1.00 0.00 C ATOM 992 NE ARG A 572 -15.860 -8.537 -11.444 1.00 0.00 N ATOM 993 CZ ARG A 572 -14.817 -9.257 -11.857 1.00 0.00 C ATOM 994 NH1 ARG A 572 -13.580 -8.801 -11.696 1.00 0.00 N ATOM 995 NH2 ARG A 572 -15.012 -10.441 -12.420 1.00 0.00 N ATOM 0 H ARG A 572 -17.401 -5.268 -7.950 1.00 0.00 H new ATOM 0 HA ARG A 572 -19.560 -6.804 -9.053 1.00 0.00 H new ATOM 0 HB2 ARG A 572 -16.679 -7.519 -8.359 1.00 0.00 H new ATOM 0 HB3 ARG A 572 -17.756 -8.501 -9.332 1.00 0.00 H new ATOM 0 HG2 ARG A 572 -17.855 -6.811 -11.068 1.00 0.00 H new ATOM 0 HG3 ARG A 572 -17.009 -5.650 -10.064 1.00 0.00 H new ATOM 0 HD2 ARG A 572 -15.396 -6.503 -11.605 1.00 0.00 H new ATOM 0 HD3 ARG A 572 -15.018 -7.220 -10.052 1.00 0.00 H new ATOM 0 HE ARG A 572 -16.790 -8.942 -11.547 1.00 0.00 H new ATOM 0 HH11 ARG A 572 -13.424 -7.895 -11.254 1.00 0.00 H new ATOM 0 HH12 ARG A 572 -12.786 -9.357 -12.014 1.00 0.00 H new ATOM 0 HH21 ARG A 572 -15.959 -10.800 -12.537 1.00 0.00 H new ATOM 0 HH22 ARG A 572 -14.215 -10.993 -12.736 1.00 0.00 H new ATOM 1009 N ASN A 573 -18.684 -7.310 -5.982 1.00 0.00 N ATOM 1010 CA ASN A 573 -18.995 -8.037 -4.756 1.00 0.00 C ATOM 1011 C ASN A 573 -19.766 -7.142 -3.796 1.00 0.00 C ATOM 1012 O ASN A 573 -20.329 -6.128 -4.204 1.00 0.00 O ATOM 1013 CB ASN A 573 -17.704 -8.529 -4.097 1.00 0.00 C ATOM 1014 CG ASN A 573 -16.986 -9.571 -4.931 1.00 0.00 C ATOM 1015 OD1 ASN A 573 -17.212 -10.772 -4.772 1.00 0.00 O ATOM 1016 ND2 ASN A 573 -16.123 -9.123 -5.829 1.00 0.00 N ATOM 0 H ASN A 573 -18.083 -6.497 -5.846 1.00 0.00 H new ATOM 0 HA ASN A 573 -19.615 -8.899 -5.005 1.00 0.00 H new ATOM 0 HB2 ASN A 573 -17.039 -7.681 -3.930 1.00 0.00 H new ATOM 0 HB3 ASN A 573 -17.937 -8.949 -3.119 1.00 0.00 H new ATOM 0 HD21 ASN A 573 -15.616 -9.781 -6.421 1.00 0.00 H new ATOM 0 HD22 ASN A 573 -15.965 -8.120 -5.929 1.00 0.00 H new ATOM 1023 N VAL A 574 -19.818 -7.525 -2.527 1.00 0.00 N ATOM 1024 CA VAL A 574 -20.445 -6.692 -1.514 1.00 0.00 C ATOM 1025 C VAL A 574 -19.466 -6.406 -0.384 1.00 0.00 C ATOM 1026 O VAL A 574 -19.001 -7.320 0.304 1.00 0.00 O ATOM 1027 CB VAL A 574 -21.716 -7.350 -0.932 1.00 0.00 C ATOM 1028 CG1 VAL A 574 -22.342 -6.467 0.138 1.00 0.00 C ATOM 1029 CG2 VAL A 574 -22.723 -7.645 -2.033 1.00 0.00 C ATOM 0 H VAL A 574 -19.435 -8.403 -2.177 1.00 0.00 H new ATOM 0 HA VAL A 574 -20.734 -5.760 -1.999 1.00 0.00 H new ATOM 0 HB VAL A 574 -21.425 -8.293 -0.470 1.00 0.00 H new ATOM 0 HG11 VAL A 574 -23.235 -6.951 0.533 1.00 0.00 H new ATOM 0 HG12 VAL A 574 -21.627 -6.311 0.946 1.00 0.00 H new ATOM 0 HG13 VAL A 574 -22.613 -5.505 -0.297 1.00 0.00 H new ATOM 0 HG21 VAL A 574 -23.610 -8.108 -1.600 1.00 0.00 H new ATOM 0 HG22 VAL A 574 -23.004 -6.715 -2.528 1.00 0.00 H new ATOM 0 HG23 VAL A 574 -22.278 -8.323 -2.761 1.00 0.00 H new ATOM 1039 N VAL A 575 -19.153 -5.132 -0.204 1.00 0.00 N ATOM 1040 CA VAL A 575 -18.262 -4.696 0.858 1.00 0.00 C ATOM 1041 C VAL A 575 -18.857 -3.472 1.537 1.00 0.00 C ATOM 1042 O VAL A 575 -18.944 -2.403 0.939 1.00 0.00 O ATOM 1043 CB VAL A 575 -16.850 -4.358 0.325 1.00 0.00 C ATOM 1044 CG1 VAL A 575 -15.887 -4.119 1.471 1.00 0.00 C ATOM 1045 CG2 VAL A 575 -16.318 -5.460 -0.574 1.00 0.00 C ATOM 0 H VAL A 575 -19.508 -4.375 -0.788 1.00 0.00 H new ATOM 0 HA VAL A 575 -18.159 -5.515 1.570 1.00 0.00 H new ATOM 0 HB VAL A 575 -16.934 -3.445 -0.265 1.00 0.00 H new ATOM 0 HG11 VAL A 575 -14.900 -3.883 1.074 1.00 0.00 H new ATOM 0 HG12 VAL A 575 -16.243 -3.286 2.077 1.00 0.00 H new ATOM 0 HG13 VAL A 575 -15.825 -5.016 2.087 1.00 0.00 H new ATOM 0 HG21 VAL A 575 -15.324 -5.190 -0.931 1.00 0.00 H new ATOM 0 HG22 VAL A 575 -16.261 -6.392 -0.012 1.00 0.00 H new ATOM 0 HG23 VAL A 575 -16.986 -5.590 -1.425 1.00 0.00 H new ATOM 1055 N HIS A 576 -19.286 -3.637 2.778 1.00 0.00 N ATOM 1056 CA HIS A 576 -20.011 -2.587 3.477 1.00 0.00 C ATOM 1057 C HIS A 576 -19.125 -1.899 4.514 1.00 0.00 C ATOM 1058 O HIS A 576 -19.280 -0.705 4.780 1.00 0.00 O ATOM 1059 CB HIS A 576 -21.257 -3.181 4.143 1.00 0.00 C ATOM 1060 CG HIS A 576 -22.226 -2.160 4.655 1.00 0.00 C ATOM 1061 ND1 HIS A 576 -22.667 -2.178 5.955 1.00 0.00 N ATOM 1062 CD2 HIS A 576 -22.827 -1.139 3.998 1.00 0.00 C ATOM 1063 CE1 HIS A 576 -23.523 -1.174 6.059 1.00 0.00 C ATOM 1064 NE2 HIS A 576 -23.652 -0.517 4.898 1.00 0.00 N ATOM 0 H HIS A 576 -19.145 -4.488 3.322 1.00 0.00 H new ATOM 0 HA HIS A 576 -20.315 -1.832 2.752 1.00 0.00 H new ATOM 0 HB2 HIS A 576 -21.768 -3.822 3.425 1.00 0.00 H new ATOM 0 HB3 HIS A 576 -20.944 -3.816 4.972 1.00 0.00 H new ATOM 0 HD2 HIS A 576 -22.683 -0.867 2.963 1.00 0.00 H new ATOM 0 HE1 HIS A 576 -24.051 -0.917 6.965 1.00 0.00 H new ATOM 0 HE2 HIS A 576 -24.249 0.290 4.719 1.00 0.00 H new ATOM 1072 N SER A 577 -18.193 -2.650 5.085 1.00 0.00 N ATOM 1073 CA SER A 577 -17.311 -2.124 6.118 1.00 0.00 C ATOM 1074 C SER A 577 -16.315 -1.121 5.538 1.00 0.00 C ATOM 1075 O SER A 577 -16.086 -0.053 6.106 1.00 0.00 O ATOM 1076 CB SER A 577 -16.560 -3.274 6.788 1.00 0.00 C ATOM 1077 OG SER A 577 -17.458 -4.269 7.254 1.00 0.00 O ATOM 0 H SER A 577 -18.028 -3.629 4.849 1.00 0.00 H new ATOM 0 HA SER A 577 -17.922 -1.605 6.857 1.00 0.00 H new ATOM 0 HB2 SER A 577 -15.859 -3.716 6.080 1.00 0.00 H new ATOM 0 HB3 SER A 577 -15.972 -2.891 7.622 1.00 0.00 H new ATOM 0 HG SER A 577 -16.952 -4.994 7.677 1.00 0.00 H new ATOM 1083 N VAL A 578 -15.737 -1.468 4.401 1.00 0.00 N ATOM 1084 CA VAL A 578 -14.745 -0.610 3.772 1.00 0.00 C ATOM 1085 C VAL A 578 -15.144 -0.214 2.357 1.00 0.00 C ATOM 1086 O VAL A 578 -15.625 -1.034 1.580 1.00 0.00 O ATOM 1087 CB VAL A 578 -13.341 -1.260 3.777 1.00 0.00 C ATOM 1088 CG1 VAL A 578 -12.692 -1.096 5.140 1.00 0.00 C ATOM 1089 CG2 VAL A 578 -13.413 -2.738 3.420 1.00 0.00 C ATOM 0 H VAL A 578 -15.935 -2.332 3.896 1.00 0.00 H new ATOM 0 HA VAL A 578 -14.701 0.300 4.371 1.00 0.00 H new ATOM 0 HB VAL A 578 -12.738 -0.754 3.023 1.00 0.00 H new ATOM 0 HG11 VAL A 578 -11.705 -1.558 5.131 1.00 0.00 H new ATOM 0 HG12 VAL A 578 -12.595 -0.035 5.371 1.00 0.00 H new ATOM 0 HG13 VAL A 578 -13.310 -1.577 5.898 1.00 0.00 H new ATOM 0 HG21 VAL A 578 -12.410 -3.165 3.432 1.00 0.00 H new ATOM 0 HG22 VAL A 578 -14.037 -3.258 4.147 1.00 0.00 H new ATOM 0 HG23 VAL A 578 -13.843 -2.851 2.425 1.00 0.00 H new ATOM 1099 N ARG A 579 -14.965 1.064 2.041 1.00 0.00 N ATOM 1100 CA ARG A 579 -15.279 1.585 0.718 1.00 0.00 C ATOM 1101 C ARG A 579 -13.979 2.000 0.053 1.00 0.00 C ATOM 1102 O ARG A 579 -12.927 1.942 0.688 1.00 0.00 O ATOM 1103 CB ARG A 579 -16.228 2.786 0.800 1.00 0.00 C ATOM 1104 CG ARG A 579 -17.355 2.627 1.811 1.00 0.00 C ATOM 1105 CD ARG A 579 -18.162 1.360 1.572 1.00 0.00 C ATOM 1106 NE ARG A 579 -18.782 1.330 0.250 1.00 0.00 N ATOM 1107 CZ ARG A 579 -19.886 0.643 -0.038 1.00 0.00 C ATOM 1108 NH1 ARG A 579 -20.543 0.001 0.919 1.00 0.00 N ATOM 1109 NH2 ARG A 579 -20.340 0.617 -1.281 1.00 0.00 N ATOM 0 H ARG A 579 -14.601 1.762 2.690 1.00 0.00 H new ATOM 0 HA ARG A 579 -15.781 0.811 0.138 1.00 0.00 H new ATOM 0 HB2 ARG A 579 -15.650 3.674 1.055 1.00 0.00 H new ATOM 0 HB3 ARG A 579 -16.661 2.960 -0.185 1.00 0.00 H new ATOM 0 HG2 ARG A 579 -16.938 2.607 2.818 1.00 0.00 H new ATOM 0 HG3 ARG A 579 -18.015 3.493 1.757 1.00 0.00 H new ATOM 0 HD2 ARG A 579 -17.511 0.493 1.684 1.00 0.00 H new ATOM 0 HD3 ARG A 579 -18.937 1.278 2.334 1.00 0.00 H new ATOM 0 HE ARG A 579 -18.343 1.867 -0.498 1.00 0.00 H new ATOM 0 HH11 ARG A 579 -20.203 0.032 1.880 1.00 0.00 H new ATOM 0 HH12 ARG A 579 -21.388 -0.524 0.694 1.00 0.00 H new ATOM 0 HH21 ARG A 579 -19.845 1.122 -2.016 1.00 0.00 H new ATOM 0 HH22 ARG A 579 -21.185 0.092 -1.504 1.00 0.00 H new ATOM 1123 N ARG A 580 -14.034 2.422 -1.208 1.00 0.00 N ATOM 1124 CA ARG A 580 -12.829 2.770 -1.955 1.00 0.00 C ATOM 1125 C ARG A 580 -11.974 3.810 -1.225 1.00 0.00 C ATOM 1126 O ARG A 580 -10.751 3.795 -1.348 1.00 0.00 O ATOM 1127 CB ARG A 580 -13.157 3.256 -3.368 1.00 0.00 C ATOM 1128 CG ARG A 580 -14.007 4.508 -3.424 1.00 0.00 C ATOM 1129 CD ARG A 580 -15.483 4.182 -3.556 1.00 0.00 C ATOM 1130 NE ARG A 580 -16.292 5.388 -3.704 1.00 0.00 N ATOM 1131 CZ ARG A 580 -17.476 5.427 -4.313 1.00 0.00 C ATOM 1132 NH1 ARG A 580 -17.991 4.327 -4.847 1.00 0.00 N ATOM 1133 NH2 ARG A 580 -18.142 6.570 -4.388 1.00 0.00 N ATOM 0 H ARG A 580 -14.901 2.531 -1.734 1.00 0.00 H new ATOM 0 HA ARG A 580 -12.246 1.852 -2.033 1.00 0.00 H new ATOM 0 HB2 ARG A 580 -12.224 3.443 -3.899 1.00 0.00 H new ATOM 0 HB3 ARG A 580 -13.674 2.458 -3.901 1.00 0.00 H new ATOM 0 HG2 ARG A 580 -13.844 5.098 -2.522 1.00 0.00 H new ATOM 0 HG3 ARG A 580 -13.694 5.123 -4.268 1.00 0.00 H new ATOM 0 HD2 ARG A 580 -15.636 3.533 -4.418 1.00 0.00 H new ATOM 0 HD3 ARG A 580 -15.813 3.628 -2.677 1.00 0.00 H new ATOM 0 HE ARG A 580 -15.927 6.258 -3.316 1.00 0.00 H new ATOM 0 HH11 ARG A 580 -17.480 3.446 -4.792 1.00 0.00 H new ATOM 0 HH12 ARG A 580 -18.898 4.362 -5.312 1.00 0.00 H new ATOM 0 HH21 ARG A 580 -17.748 7.418 -3.980 1.00 0.00 H new ATOM 0 HH22 ARG A 580 -19.049 6.602 -4.854 1.00 0.00 H new ATOM 1147 N GLU A 581 -12.604 4.713 -0.466 1.00 0.00 N ATOM 1148 CA GLU A 581 -11.882 5.719 0.314 1.00 0.00 C ATOM 1149 C GLU A 581 -10.940 5.110 1.355 1.00 0.00 C ATOM 1150 O GLU A 581 -9.902 5.691 1.670 1.00 0.00 O ATOM 1151 CB GLU A 581 -12.880 6.659 0.996 1.00 0.00 C ATOM 1152 CG GLU A 581 -13.815 5.961 1.973 1.00 0.00 C ATOM 1153 CD GLU A 581 -14.990 6.829 2.373 1.00 0.00 C ATOM 1154 OE1 GLU A 581 -14.873 7.590 3.356 1.00 0.00 O ATOM 1155 OE2 GLU A 581 -16.037 6.757 1.699 1.00 0.00 O ATOM 0 H GLU A 581 -13.619 4.766 -0.376 1.00 0.00 H new ATOM 0 HA GLU A 581 -11.257 6.275 -0.385 1.00 0.00 H new ATOM 0 HB2 GLU A 581 -12.329 7.435 1.527 1.00 0.00 H new ATOM 0 HB3 GLU A 581 -13.476 7.158 0.231 1.00 0.00 H new ATOM 0 HG2 GLU A 581 -14.185 5.040 1.522 1.00 0.00 H new ATOM 0 HG3 GLU A 581 -13.257 5.677 2.865 1.00 0.00 H new ATOM 1162 N HIS A 582 -11.294 3.941 1.867 1.00 0.00 N ATOM 1163 CA HIS A 582 -10.503 3.275 2.898 1.00 0.00 C ATOM 1164 C HIS A 582 -9.226 2.685 2.311 1.00 0.00 C ATOM 1165 O HIS A 582 -8.319 2.277 3.035 1.00 0.00 O ATOM 1166 CB HIS A 582 -11.329 2.193 3.593 1.00 0.00 C ATOM 1167 CG HIS A 582 -12.423 2.744 4.457 1.00 0.00 C ATOM 1168 ND1 HIS A 582 -13.750 2.561 4.145 1.00 0.00 N ATOM 1169 CD2 HIS A 582 -12.335 3.452 5.609 1.00 0.00 C ATOM 1170 CE1 HIS A 582 -14.432 3.156 5.109 1.00 0.00 C ATOM 1171 NE2 HIS A 582 -13.618 3.710 6.016 1.00 0.00 N ATOM 0 H HIS A 582 -12.130 3.429 1.585 1.00 0.00 H new ATOM 0 HA HIS A 582 -10.218 4.020 3.640 1.00 0.00 H new ATOM 0 HB2 HIS A 582 -11.766 1.539 2.839 1.00 0.00 H new ATOM 0 HB3 HIS A 582 -10.668 1.578 4.204 1.00 0.00 H new ATOM 0 HD2 HIS A 582 -11.428 3.755 6.110 1.00 0.00 H new ATOM 0 HE1 HIS A 582 -15.510 3.191 5.158 1.00 0.00 H new ATOM 0 HE2 HIS A 582 -13.899 4.225 6.850 1.00 0.00 H new ATOM 1179 N PHE A 583 -9.162 2.654 0.992 1.00 0.00 N ATOM 1180 CA PHE A 583 -8.016 2.094 0.298 1.00 0.00 C ATOM 1181 C PHE A 583 -7.192 3.221 -0.306 1.00 0.00 C ATOM 1182 O PHE A 583 -7.715 4.062 -1.038 1.00 0.00 O ATOM 1183 CB PHE A 583 -8.458 1.110 -0.791 1.00 0.00 C ATOM 1184 CG PHE A 583 -9.395 0.042 -0.295 1.00 0.00 C ATOM 1185 CD1 PHE A 583 -8.966 -0.925 0.592 1.00 0.00 C ATOM 1186 CD2 PHE A 583 -10.710 0.016 -0.714 1.00 0.00 C ATOM 1187 CE1 PHE A 583 -9.830 -1.899 1.049 1.00 0.00 C ATOM 1188 CE2 PHE A 583 -11.582 -0.953 -0.262 1.00 0.00 C ATOM 1189 CZ PHE A 583 -11.141 -1.913 0.621 1.00 0.00 C ATOM 0 H PHE A 583 -9.893 3.012 0.378 1.00 0.00 H new ATOM 0 HA PHE A 583 -7.406 1.543 1.014 1.00 0.00 H new ATOM 0 HB2 PHE A 583 -8.945 1.664 -1.594 1.00 0.00 H new ATOM 0 HB3 PHE A 583 -7.575 0.636 -1.220 1.00 0.00 H new ATOM 0 HD1 PHE A 583 -7.941 -0.919 0.933 1.00 0.00 H new ATOM 0 HD2 PHE A 583 -11.062 0.766 -1.407 1.00 0.00 H new ATOM 0 HE1 PHE A 583 -9.480 -2.650 1.742 1.00 0.00 H new ATOM 0 HE2 PHE A 583 -12.608 -0.958 -0.600 1.00 0.00 H new ATOM 0 HZ PHE A 583 -11.819 -2.674 0.977 1.00 0.00 H new ATOM 1199 N SER A 584 -5.907 3.250 0.000 1.00 0.00 N ATOM 1200 CA SER A 584 -5.041 4.318 -0.463 1.00 0.00 C ATOM 1201 C SER A 584 -3.741 3.723 -0.974 1.00 0.00 C ATOM 1202 O SER A 584 -3.157 2.853 -0.329 1.00 0.00 O ATOM 1203 CB SER A 584 -4.767 5.313 0.668 1.00 0.00 C ATOM 1204 OG SER A 584 -3.928 6.370 0.232 1.00 0.00 O ATOM 0 H SER A 584 -5.440 2.544 0.569 1.00 0.00 H new ATOM 0 HA SER A 584 -5.534 4.855 -1.273 1.00 0.00 H new ATOM 0 HB2 SER A 584 -5.710 5.721 1.033 1.00 0.00 H new ATOM 0 HB3 SER A 584 -4.298 4.795 1.505 1.00 0.00 H new ATOM 0 HG SER A 584 -3.771 6.991 0.974 1.00 0.00 H new ATOM 1210 N PHE A 585 -3.286 4.186 -2.127 1.00 0.00 N ATOM 1211 CA PHE A 585 -2.111 3.604 -2.756 1.00 0.00 C ATOM 1212 C PHE A 585 -0.885 4.502 -2.642 1.00 0.00 C ATOM 1213 O PHE A 585 0.211 4.118 -3.050 1.00 0.00 O ATOM 1214 CB PHE A 585 -2.402 3.269 -4.215 1.00 0.00 C ATOM 1215 CG PHE A 585 -3.273 2.059 -4.368 1.00 0.00 C ATOM 1216 CD1 PHE A 585 -2.784 0.813 -4.030 1.00 0.00 C ATOM 1217 CD2 PHE A 585 -4.573 2.161 -4.834 1.00 0.00 C ATOM 1218 CE1 PHE A 585 -3.564 -0.312 -4.154 1.00 0.00 C ATOM 1219 CE2 PHE A 585 -5.363 1.033 -4.962 1.00 0.00 C ATOM 1220 CZ PHE A 585 -4.854 -0.206 -4.621 1.00 0.00 C ATOM 0 H PHE A 585 -3.709 4.957 -2.643 1.00 0.00 H new ATOM 0 HA PHE A 585 -1.879 2.684 -2.219 1.00 0.00 H new ATOM 0 HB2 PHE A 585 -2.886 4.122 -4.690 1.00 0.00 H new ATOM 0 HB3 PHE A 585 -1.461 3.103 -4.740 1.00 0.00 H new ATOM 0 HD1 PHE A 585 -1.773 0.721 -3.662 1.00 0.00 H new ATOM 0 HD2 PHE A 585 -4.973 3.128 -5.099 1.00 0.00 H new ATOM 0 HE1 PHE A 585 -3.165 -1.279 -3.885 1.00 0.00 H new ATOM 0 HE2 PHE A 585 -6.375 1.120 -5.328 1.00 0.00 H new ATOM 0 HZ PHE A 585 -5.468 -1.089 -4.721 1.00 0.00 H new ATOM 1230 N SER A 586 -1.070 5.694 -2.102 1.00 0.00 N ATOM 1231 CA SER A 586 0.048 6.587 -1.841 1.00 0.00 C ATOM 1232 C SER A 586 1.003 5.988 -0.802 1.00 0.00 C ATOM 1233 O SER A 586 0.608 5.716 0.337 1.00 0.00 O ATOM 1234 CB SER A 586 -0.479 7.938 -1.367 1.00 0.00 C ATOM 1235 OG SER A 586 -1.358 8.497 -2.329 1.00 0.00 O ATOM 0 H SER A 586 -1.981 6.066 -1.836 1.00 0.00 H new ATOM 0 HA SER A 586 0.609 6.723 -2.765 1.00 0.00 H new ATOM 0 HB2 SER A 586 -1.000 7.818 -0.417 1.00 0.00 H new ATOM 0 HB3 SER A 586 0.355 8.618 -1.190 1.00 0.00 H new ATOM 0 HG SER A 586 -1.687 9.362 -2.007 1.00 0.00 H new ATOM 1241 N PRO A 587 2.280 5.780 -1.182 1.00 0.00 N ATOM 1242 CA PRO A 587 3.301 5.208 -0.294 1.00 0.00 C ATOM 1243 C PRO A 587 3.819 6.224 0.717 1.00 0.00 C ATOM 1244 O PRO A 587 4.812 5.990 1.401 1.00 0.00 O ATOM 1245 CB PRO A 587 4.414 4.816 -1.259 1.00 0.00 C ATOM 1246 CG PRO A 587 4.310 5.825 -2.346 1.00 0.00 C ATOM 1247 CD PRO A 587 2.836 6.079 -2.519 1.00 0.00 C ATOM 0 HA PRO A 587 2.913 4.381 0.300 1.00 0.00 H new ATOM 0 HB2 PRO A 587 5.391 4.846 -0.777 1.00 0.00 H new ATOM 0 HB3 PRO A 587 4.277 3.803 -1.638 1.00 0.00 H new ATOM 0 HG2 PRO A 587 4.838 6.742 -2.083 1.00 0.00 H new ATOM 0 HG3 PRO A 587 4.755 5.455 -3.269 1.00 0.00 H new ATOM 0 HD2 PRO A 587 2.637 7.109 -2.816 1.00 0.00 H new ATOM 0 HD3 PRO A 587 2.405 5.437 -3.287 1.00 0.00 H new ATOM 1255 N ARG A 588 3.129 7.349 0.813 1.00 0.00 N ATOM 1256 CA ARG A 588 3.466 8.386 1.766 1.00 0.00 C ATOM 1257 C ARG A 588 2.485 8.318 2.922 1.00 0.00 C ATOM 1258 O ARG A 588 2.510 9.134 3.844 1.00 0.00 O ATOM 1259 CB ARG A 588 3.439 9.754 1.077 1.00 0.00 C ATOM 1260 CG ARG A 588 4.398 9.832 -0.102 1.00 0.00 C ATOM 1261 CD ARG A 588 4.288 11.145 -0.857 1.00 0.00 C ATOM 1262 NE ARG A 588 5.174 11.166 -2.022 1.00 0.00 N ATOM 1263 CZ ARG A 588 5.033 11.987 -3.062 1.00 0.00 C ATOM 1264 NH1 ARG A 588 4.051 12.882 -3.088 1.00 0.00 N ATOM 1265 NH2 ARG A 588 5.878 11.909 -4.080 1.00 0.00 N ATOM 0 H ARG A 588 2.320 7.566 0.231 1.00 0.00 H new ATOM 0 HA ARG A 588 4.473 8.238 2.155 1.00 0.00 H new ATOM 0 HB2 ARG A 588 2.426 9.963 0.732 1.00 0.00 H new ATOM 0 HB3 ARG A 588 3.695 10.527 1.801 1.00 0.00 H new ATOM 0 HG2 ARG A 588 5.420 9.708 0.256 1.00 0.00 H new ATOM 0 HG3 ARG A 588 4.197 9.006 -0.785 1.00 0.00 H new ATOM 0 HD2 ARG A 588 3.258 11.296 -1.179 1.00 0.00 H new ATOM 0 HD3 ARG A 588 4.539 11.971 -0.192 1.00 0.00 H new ATOM 0 HE ARG A 588 5.952 10.507 -2.039 1.00 0.00 H new ATOM 0 HH11 ARG A 588 3.397 12.945 -2.308 1.00 0.00 H new ATOM 0 HH12 ARG A 588 3.951 13.506 -3.888 1.00 0.00 H new ATOM 0 HH21 ARG A 588 6.632 11.223 -4.065 1.00 0.00 H new ATOM 0 HH22 ARG A 588 5.774 12.535 -4.878 1.00 0.00 H new ATOM 1279 N MET A 589 1.609 7.326 2.834 1.00 0.00 N ATOM 1280 CA MET A 589 0.692 7.001 3.911 1.00 0.00 C ATOM 1281 C MET A 589 1.259 5.852 4.739 1.00 0.00 C ATOM 1282 O MET A 589 1.212 4.693 4.319 1.00 0.00 O ATOM 1283 CB MET A 589 -0.678 6.613 3.348 1.00 0.00 C ATOM 1284 CG MET A 589 -1.742 6.465 4.411 1.00 0.00 C ATOM 1285 SD MET A 589 -2.073 8.000 5.292 1.00 0.00 S ATOM 1286 CE MET A 589 -2.821 8.984 3.996 1.00 0.00 C ATOM 0 H MET A 589 1.516 6.726 2.014 1.00 0.00 H new ATOM 0 HA MET A 589 0.570 7.878 4.546 1.00 0.00 H new ATOM 0 HB2 MET A 589 -0.995 7.369 2.630 1.00 0.00 H new ATOM 0 HB3 MET A 589 -0.586 5.674 2.803 1.00 0.00 H new ATOM 0 HG2 MET A 589 -2.664 6.112 3.948 1.00 0.00 H new ATOM 0 HG3 MET A 589 -1.431 5.702 5.125 1.00 0.00 H new ATOM 0 HE1 MET A 589 -3.348 9.829 4.439 1.00 0.00 H new ATOM 0 HE2 MET A 589 -2.045 9.352 3.325 1.00 0.00 H new ATOM 0 HE3 MET A 589 -3.526 8.371 3.434 1.00 0.00 H new ATOM 1296 N PRO A 590 1.814 6.159 5.918 1.00 0.00 N ATOM 1297 CA PRO A 590 2.454 5.163 6.778 1.00 0.00 C ATOM 1298 C PRO A 590 1.446 4.347 7.580 1.00 0.00 C ATOM 1299 O PRO A 590 1.297 4.534 8.788 1.00 0.00 O ATOM 1300 CB PRO A 590 3.318 6.014 7.705 1.00 0.00 C ATOM 1301 CG PRO A 590 2.601 7.319 7.809 1.00 0.00 C ATOM 1302 CD PRO A 590 1.859 7.510 6.510 1.00 0.00 C ATOM 0 HA PRO A 590 3.014 4.424 6.205 1.00 0.00 H new ATOM 0 HB2 PRO A 590 3.429 5.545 8.683 1.00 0.00 H new ATOM 0 HB3 PRO A 590 4.321 6.146 7.299 1.00 0.00 H new ATOM 0 HG2 PRO A 590 1.910 7.315 8.652 1.00 0.00 H new ATOM 0 HG3 PRO A 590 3.304 8.135 7.977 1.00 0.00 H new ATOM 0 HD2 PRO A 590 0.857 7.905 6.678 1.00 0.00 H new ATOM 0 HD3 PRO A 590 2.374 8.214 5.857 1.00 0.00 H new ATOM 1310 N VAL A 591 0.737 3.458 6.901 1.00 0.00 N ATOM 1311 CA VAL A 591 -0.311 2.692 7.555 1.00 0.00 C ATOM 1312 C VAL A 591 0.043 1.223 7.783 1.00 0.00 C ATOM 1313 O VAL A 591 0.287 0.837 8.924 1.00 0.00 O ATOM 1314 CB VAL A 591 -1.645 2.829 6.804 1.00 0.00 C ATOM 1315 CG1 VAL A 591 -2.685 1.888 7.376 1.00 0.00 C ATOM 1316 CG2 VAL A 591 -2.118 4.261 6.907 1.00 0.00 C ATOM 0 H VAL A 591 0.866 3.251 5.911 1.00 0.00 H new ATOM 0 HA VAL A 591 -0.418 3.127 8.549 1.00 0.00 H new ATOM 0 HB VAL A 591 -1.498 2.564 5.757 1.00 0.00 H new ATOM 0 HG11 VAL A 591 -3.620 2.003 6.828 1.00 0.00 H new ATOM 0 HG12 VAL A 591 -2.335 0.860 7.284 1.00 0.00 H new ATOM 0 HG13 VAL A 591 -2.849 2.123 8.428 1.00 0.00 H new ATOM 0 HG21 VAL A 591 -3.064 4.371 6.377 1.00 0.00 H new ATOM 0 HG22 VAL A 591 -2.256 4.524 7.956 1.00 0.00 H new ATOM 0 HG23 VAL A 591 -1.375 4.923 6.462 1.00 0.00 H new ATOM 1326 N GLY A 592 0.085 0.392 6.739 1.00 0.00 N ATOM 1327 CA GLY A 592 0.201 -1.035 6.960 1.00 0.00 C ATOM 1328 C GLY A 592 1.627 -1.494 7.075 1.00 0.00 C ATOM 1329 O GLY A 592 2.291 -1.256 8.083 1.00 0.00 O ATOM 0 H GLY A 592 0.041 0.680 5.761 1.00 0.00 H new ATOM 0 HA2 GLY A 592 -0.336 -1.302 7.870 1.00 0.00 H new ATOM 0 HA3 GLY A 592 -0.281 -1.565 6.139 1.00 0.00 H new ATOM 1333 N ASP A 593 2.104 -2.146 6.037 1.00 0.00 N ATOM 1334 CA ASP A 593 3.431 -2.694 6.050 1.00 0.00 C ATOM 1335 C ASP A 593 4.303 -1.978 5.041 1.00 0.00 C ATOM 1336 O ASP A 593 3.874 -1.669 3.941 1.00 0.00 O ATOM 1337 CB ASP A 593 3.396 -4.199 5.770 1.00 0.00 C ATOM 1338 CG ASP A 593 2.634 -4.970 6.834 1.00 0.00 C ATOM 1339 OD1 ASP A 593 3.250 -5.367 7.845 1.00 0.00 O ATOM 1340 OD2 ASP A 593 1.410 -5.174 6.670 1.00 0.00 O ATOM 0 H ASP A 593 1.586 -2.307 5.173 1.00 0.00 H new ATOM 0 HA ASP A 593 3.859 -2.546 7.041 1.00 0.00 H new ATOM 0 HB2 ASP A 593 2.934 -4.374 4.798 1.00 0.00 H new ATOM 0 HB3 ASP A 593 4.416 -4.578 5.711 1.00 0.00 H new ATOM 1345 N PHE A 594 5.513 -1.699 5.453 1.00 0.00 N ATOM 1346 CA PHE A 594 6.487 -1.034 4.596 1.00 0.00 C ATOM 1347 C PHE A 594 7.712 -1.902 4.389 1.00 0.00 C ATOM 1348 O PHE A 594 8.254 -2.462 5.341 1.00 0.00 O ATOM 1349 CB PHE A 594 6.890 0.318 5.185 1.00 0.00 C ATOM 1350 CG PHE A 594 5.979 1.445 4.787 1.00 0.00 C ATOM 1351 CD1 PHE A 594 4.684 1.523 5.274 1.00 0.00 C ATOM 1352 CD2 PHE A 594 6.426 2.430 3.921 1.00 0.00 C ATOM 1353 CE1 PHE A 594 3.852 2.562 4.904 1.00 0.00 C ATOM 1354 CE2 PHE A 594 5.599 3.471 3.548 1.00 0.00 C ATOM 1355 CZ PHE A 594 4.311 3.537 4.039 1.00 0.00 C ATOM 0 H PHE A 594 5.859 -1.921 6.386 1.00 0.00 H new ATOM 0 HA PHE A 594 6.019 -0.866 3.626 1.00 0.00 H new ATOM 0 HB2 PHE A 594 6.905 0.241 6.272 1.00 0.00 H new ATOM 0 HB3 PHE A 594 7.906 0.554 4.868 1.00 0.00 H new ATOM 0 HD1 PHE A 594 4.321 0.763 5.950 1.00 0.00 H new ATOM 0 HD2 PHE A 594 7.433 2.383 3.533 1.00 0.00 H new ATOM 0 HE1 PHE A 594 2.845 2.612 5.290 1.00 0.00 H new ATOM 0 HE2 PHE A 594 5.960 4.233 2.873 1.00 0.00 H new ATOM 0 HZ PHE A 594 3.662 4.350 3.748 1.00 0.00 H new ATOM 1365 N PHE A 595 8.127 -2.038 3.138 1.00 0.00 N ATOM 1366 CA PHE A 595 9.297 -2.829 2.802 1.00 0.00 C ATOM 1367 C PHE A 595 10.262 -2.018 1.951 1.00 0.00 C ATOM 1368 O PHE A 595 9.858 -1.110 1.226 1.00 0.00 O ATOM 1369 CB PHE A 595 8.876 -4.091 2.040 1.00 0.00 C ATOM 1370 CG PHE A 595 7.747 -4.839 2.690 1.00 0.00 C ATOM 1371 CD1 PHE A 595 6.432 -4.508 2.405 1.00 0.00 C ATOM 1372 CD2 PHE A 595 7.998 -5.857 3.593 1.00 0.00 C ATOM 1373 CE1 PHE A 595 5.391 -5.177 3.008 1.00 0.00 C ATOM 1374 CE2 PHE A 595 6.956 -6.533 4.198 1.00 0.00 C ATOM 1375 CZ PHE A 595 5.651 -6.189 3.904 1.00 0.00 C ATOM 0 H PHE A 595 7.666 -1.607 2.336 1.00 0.00 H new ATOM 0 HA PHE A 595 9.797 -3.115 3.727 1.00 0.00 H new ATOM 0 HB2 PHE A 595 8.581 -3.813 1.028 1.00 0.00 H new ATOM 0 HB3 PHE A 595 9.736 -4.755 1.950 1.00 0.00 H new ATOM 0 HD1 PHE A 595 6.221 -3.716 1.702 1.00 0.00 H new ATOM 0 HD2 PHE A 595 9.018 -6.126 3.827 1.00 0.00 H new ATOM 0 HE1 PHE A 595 4.371 -4.908 2.778 1.00 0.00 H new ATOM 0 HE2 PHE A 595 7.161 -7.328 4.899 1.00 0.00 H new ATOM 0 HZ PHE A 595 4.834 -6.714 4.377 1.00 0.00 H new ATOM 1385 N GLU A 596 11.527 -2.370 2.040 1.00 0.00 N ATOM 1386 CA GLU A 596 12.576 -1.718 1.278 1.00 0.00 C ATOM 1387 C GLU A 596 13.419 -2.798 0.616 1.00 0.00 C ATOM 1388 O GLU A 596 13.977 -3.658 1.304 1.00 0.00 O ATOM 1389 CB GLU A 596 13.430 -0.866 2.226 1.00 0.00 C ATOM 1390 CG GLU A 596 14.738 -0.360 1.636 1.00 0.00 C ATOM 1391 CD GLU A 596 14.554 0.732 0.603 1.00 0.00 C ATOM 1392 OE1 GLU A 596 14.490 1.916 0.998 1.00 0.00 O ATOM 1393 OE2 GLU A 596 14.513 0.410 -0.600 1.00 0.00 O ATOM 0 H GLU A 596 11.860 -3.120 2.645 1.00 0.00 H new ATOM 0 HA GLU A 596 12.157 -1.065 0.512 1.00 0.00 H new ATOM 0 HB2 GLU A 596 12.840 -0.009 2.550 1.00 0.00 H new ATOM 0 HB3 GLU A 596 13.654 -1.454 3.116 1.00 0.00 H new ATOM 0 HG2 GLU A 596 15.369 0.016 2.441 1.00 0.00 H new ATOM 0 HG3 GLU A 596 15.268 -1.196 1.179 1.00 0.00 H new ATOM 1400 N GLU A 597 13.494 -2.791 -0.706 1.00 0.00 N ATOM 1401 CA GLU A 597 14.186 -3.839 -1.436 1.00 0.00 C ATOM 1402 C GLU A 597 15.689 -3.666 -1.284 1.00 0.00 C ATOM 1403 O GLU A 597 16.241 -2.608 -1.591 1.00 0.00 O ATOM 1404 CB GLU A 597 13.793 -3.792 -2.915 1.00 0.00 C ATOM 1405 CG GLU A 597 14.610 -4.713 -3.805 1.00 0.00 C ATOM 1406 CD GLU A 597 14.213 -4.613 -5.261 1.00 0.00 C ATOM 1407 OE1 GLU A 597 14.763 -3.741 -5.966 1.00 0.00 O ATOM 1408 OE2 GLU A 597 13.359 -5.404 -5.714 1.00 0.00 O ATOM 0 H GLU A 597 13.082 -2.068 -1.296 1.00 0.00 H new ATOM 0 HA GLU A 597 13.900 -4.809 -1.029 1.00 0.00 H new ATOM 0 HB2 GLU A 597 12.739 -4.055 -3.008 1.00 0.00 H new ATOM 0 HB3 GLU A 597 13.899 -2.769 -3.275 1.00 0.00 H new ATOM 0 HG2 GLU A 597 15.667 -4.468 -3.702 1.00 0.00 H new ATOM 0 HG3 GLU A 597 14.487 -5.742 -3.468 1.00 0.00 H new ATOM 1415 N ARG A 598 16.350 -4.707 -0.810 1.00 0.00 N ATOM 1416 CA ARG A 598 17.760 -4.634 -0.484 1.00 0.00 C ATOM 1417 C ARG A 598 18.501 -5.843 -1.041 1.00 0.00 C ATOM 1418 O ARG A 598 17.898 -6.887 -1.301 1.00 0.00 O ATOM 1419 CB ARG A 598 17.918 -4.558 1.043 1.00 0.00 C ATOM 1420 CG ARG A 598 19.354 -4.581 1.537 1.00 0.00 C ATOM 1421 CD ARG A 598 19.419 -4.532 3.052 1.00 0.00 C ATOM 1422 NE ARG A 598 20.796 -4.527 3.545 1.00 0.00 N ATOM 1423 CZ ARG A 598 21.138 -4.196 4.791 1.00 0.00 C ATOM 1424 NH1 ARG A 598 20.206 -3.850 5.671 1.00 0.00 N ATOM 1425 NH2 ARG A 598 22.410 -4.217 5.160 1.00 0.00 N ATOM 0 H ARG A 598 15.927 -5.620 -0.642 1.00 0.00 H new ATOM 0 HA ARG A 598 18.191 -3.741 -0.937 1.00 0.00 H new ATOM 0 HB2 ARG A 598 17.441 -3.645 1.398 1.00 0.00 H new ATOM 0 HB3 ARG A 598 17.381 -5.394 1.492 1.00 0.00 H new ATOM 0 HG2 ARG A 598 19.849 -5.484 1.179 1.00 0.00 H new ATOM 0 HG3 ARG A 598 19.897 -3.733 1.120 1.00 0.00 H new ATOM 0 HD2 ARG A 598 18.904 -3.639 3.408 1.00 0.00 H new ATOM 0 HD3 ARG A 598 18.890 -5.391 3.465 1.00 0.00 H new ATOM 0 HE ARG A 598 21.538 -4.792 2.898 1.00 0.00 H new ATOM 0 HH11 ARG A 598 19.224 -3.837 5.395 1.00 0.00 H new ATOM 0 HH12 ARG A 598 20.472 -3.598 6.623 1.00 0.00 H new ATOM 0 HH21 ARG A 598 23.131 -4.487 4.491 1.00 0.00 H new ATOM 0 HH22 ARG A 598 22.669 -3.963 6.114 1.00 0.00 H new ATOM 1439 N ASP A 599 19.804 -5.698 -1.221 1.00 0.00 N ATOM 1440 CA ASP A 599 20.642 -6.801 -1.649 1.00 0.00 C ATOM 1441 C ASP A 599 21.374 -7.407 -0.472 1.00 0.00 C ATOM 1442 O ASP A 599 21.780 -6.714 0.460 1.00 0.00 O ATOM 1443 CB ASP A 599 21.652 -6.330 -2.686 1.00 0.00 C ATOM 1444 CG ASP A 599 22.408 -7.466 -3.340 1.00 0.00 C ATOM 1445 OD1 ASP A 599 21.815 -8.198 -4.156 1.00 0.00 O ATOM 1446 OD2 ASP A 599 23.613 -7.618 -3.059 1.00 0.00 O ATOM 0 H ASP A 599 20.304 -4.821 -1.076 1.00 0.00 H new ATOM 0 HA ASP A 599 19.997 -7.559 -2.093 1.00 0.00 H new ATOM 0 HB2 ASP A 599 21.134 -5.757 -3.455 1.00 0.00 H new ATOM 0 HB3 ASP A 599 22.363 -5.655 -2.211 1.00 0.00 H new ATOM 1451 N THR A 600 21.513 -8.704 -0.530 1.00 0.00 N ATOM 1452 CA THR A 600 22.174 -9.478 0.506 1.00 0.00 C ATOM 1453 C THR A 600 23.111 -10.487 -0.139 1.00 0.00 C ATOM 1454 O THR A 600 23.027 -10.729 -1.344 1.00 0.00 O ATOM 1455 CB THR A 600 21.140 -10.221 1.378 1.00 0.00 C ATOM 1456 OG1 THR A 600 20.617 -11.342 0.664 1.00 0.00 O ATOM 1457 CG2 THR A 600 19.997 -9.301 1.753 1.00 0.00 C ATOM 0 H THR A 600 21.168 -9.268 -1.306 1.00 0.00 H new ATOM 0 HA THR A 600 22.740 -8.798 1.142 1.00 0.00 H new ATOM 0 HB THR A 600 21.641 -10.559 2.285 1.00 0.00 H new ATOM 0 HG1 THR A 600 19.942 -11.036 0.023 1.00 0.00 H new ATOM 0 HG21 THR A 600 19.279 -9.844 2.368 1.00 0.00 H new ATOM 0 HG22 THR A 600 20.384 -8.450 2.314 1.00 0.00 H new ATOM 0 HG23 THR A 600 19.504 -8.946 0.848 1.00 0.00 H new ATOM 1465 N PRO A 601 24.025 -11.075 0.639 1.00 0.00 N ATOM 1466 CA PRO A 601 24.933 -12.116 0.147 1.00 0.00 C ATOM 1467 C PRO A 601 24.195 -13.365 -0.345 1.00 0.00 C ATOM 1468 O PRO A 601 24.791 -14.233 -0.983 1.00 0.00 O ATOM 1469 CB PRO A 601 25.805 -12.438 1.365 1.00 0.00 C ATOM 1470 CG PRO A 601 25.030 -11.951 2.536 1.00 0.00 C ATOM 1471 CD PRO A 601 24.279 -10.752 2.051 1.00 0.00 C ATOM 0 HA PRO A 601 25.502 -11.778 -0.719 1.00 0.00 H new ATOM 0 HB2 PRO A 601 26.000 -13.508 1.439 1.00 0.00 H new ATOM 0 HB3 PRO A 601 26.773 -11.942 1.299 1.00 0.00 H new ATOM 0 HG2 PRO A 601 24.348 -12.719 2.902 1.00 0.00 H new ATOM 0 HG3 PRO A 601 25.691 -11.691 3.363 1.00 0.00 H new ATOM 0 HD2 PRO A 601 23.352 -10.604 2.605 1.00 0.00 H new ATOM 0 HD3 PRO A 601 24.864 -9.838 2.158 1.00 0.00 H new ATOM 1479 N GLU A 602 22.898 -13.450 -0.056 1.00 0.00 N ATOM 1480 CA GLU A 602 22.091 -14.560 -0.540 1.00 0.00 C ATOM 1481 C GLU A 602 21.250 -14.120 -1.738 1.00 0.00 C ATOM 1482 O GLU A 602 20.729 -14.949 -2.487 1.00 0.00 O ATOM 1483 CB GLU A 602 21.196 -15.109 0.577 1.00 0.00 C ATOM 1484 CG GLU A 602 19.964 -14.269 0.858 1.00 0.00 C ATOM 1485 CD GLU A 602 19.130 -14.815 1.995 1.00 0.00 C ATOM 1486 OE1 GLU A 602 18.629 -15.953 1.881 1.00 0.00 O ATOM 1487 OE2 GLU A 602 18.972 -14.108 3.012 1.00 0.00 O ATOM 0 H GLU A 602 22.390 -12.768 0.507 1.00 0.00 H new ATOM 0 HA GLU A 602 22.760 -15.359 -0.860 1.00 0.00 H new ATOM 0 HB2 GLU A 602 20.881 -16.118 0.311 1.00 0.00 H new ATOM 0 HB3 GLU A 602 21.784 -15.189 1.492 1.00 0.00 H new ATOM 0 HG2 GLU A 602 20.271 -13.250 1.095 1.00 0.00 H new ATOM 0 HG3 GLU A 602 19.352 -14.216 -0.043 1.00 0.00 H new ATOM 1494 N GLY A 603 21.132 -12.810 -1.914 1.00 0.00 N ATOM 1495 CA GLY A 603 20.372 -12.288 -3.024 1.00 0.00 C ATOM 1496 C GLY A 603 19.548 -11.075 -2.668 1.00 0.00 C ATOM 1497 O GLY A 603 19.685 -10.508 -1.588 1.00 0.00 O ATOM 0 H GLY A 603 21.549 -12.104 -1.307 1.00 0.00 H new ATOM 0 HA2 GLY A 603 21.055 -12.029 -3.833 1.00 0.00 H new ATOM 0 HA3 GLY A 603 19.712 -13.069 -3.402 1.00 0.00 H new ATOM 1501 N LEU A 604 18.696 -10.678 -3.590 1.00 0.00 N ATOM 1502 CA LEU A 604 17.794 -9.563 -3.374 1.00 0.00 C ATOM 1503 C LEU A 604 16.578 -10.020 -2.597 1.00 0.00 C ATOM 1504 O LEU A 604 15.889 -10.963 -2.991 1.00 0.00 O ATOM 1505 CB LEU A 604 17.366 -8.948 -4.706 1.00 0.00 C ATOM 1506 CG LEU A 604 18.436 -8.111 -5.402 1.00 0.00 C ATOM 1507 CD1 LEU A 604 18.054 -7.849 -6.848 1.00 0.00 C ATOM 1508 CD2 LEU A 604 18.645 -6.794 -4.671 1.00 0.00 C ATOM 0 H LEU A 604 18.608 -11.116 -4.507 1.00 0.00 H new ATOM 0 HA LEU A 604 18.319 -8.802 -2.797 1.00 0.00 H new ATOM 0 HB2 LEU A 604 17.059 -9.750 -5.378 1.00 0.00 H new ATOM 0 HB3 LEU A 604 16.490 -8.322 -4.536 1.00 0.00 H new ATOM 0 HG LEU A 604 19.370 -8.673 -5.384 1.00 0.00 H new ATOM 0 HD11 LEU A 604 18.829 -7.251 -7.327 1.00 0.00 H new ATOM 0 HD12 LEU A 604 17.951 -8.798 -7.375 1.00 0.00 H new ATOM 0 HD13 LEU A 604 17.107 -7.310 -6.882 1.00 0.00 H new ATOM 0 HD21 LEU A 604 19.411 -6.212 -5.182 1.00 0.00 H new ATOM 0 HD22 LEU A 604 17.711 -6.233 -4.658 1.00 0.00 H new ATOM 0 HD23 LEU A 604 18.963 -6.992 -3.647 1.00 0.00 H new ATOM 1520 N GLN A 605 16.328 -9.357 -1.492 1.00 0.00 N ATOM 1521 CA GLN A 605 15.199 -9.696 -0.643 1.00 0.00 C ATOM 1522 C GLN A 605 14.544 -8.420 -0.142 1.00 0.00 C ATOM 1523 O GLN A 605 15.206 -7.385 -0.013 1.00 0.00 O ATOM 1524 CB GLN A 605 15.636 -10.572 0.518 1.00 0.00 C ATOM 1525 CG GLN A 605 16.494 -9.852 1.536 1.00 0.00 C ATOM 1526 CD GLN A 605 17.227 -10.808 2.442 1.00 0.00 C ATOM 1527 OE1 GLN A 605 17.385 -10.554 3.637 1.00 0.00 O ATOM 1528 NE2 GLN A 605 17.739 -11.880 1.865 1.00 0.00 N ATOM 0 H GLN A 605 16.891 -8.576 -1.155 1.00 0.00 H new ATOM 0 HA GLN A 605 14.474 -10.264 -1.226 1.00 0.00 H new ATOM 0 HB2 GLN A 605 14.751 -10.967 1.017 1.00 0.00 H new ATOM 0 HB3 GLN A 605 16.190 -11.426 0.128 1.00 0.00 H new ATOM 0 HG2 GLN A 605 17.215 -9.220 1.018 1.00 0.00 H new ATOM 0 HG3 GLN A 605 15.866 -9.194 2.137 1.00 0.00 H new ATOM 0 HE21 GLN A 605 17.581 -12.049 0.871 1.00 0.00 H new ATOM 0 HE22 GLN A 605 18.292 -12.539 2.413 1.00 0.00 H new ATOM 1537 N TRP A 606 13.248 -8.472 0.108 1.00 0.00 N ATOM 1538 CA TRP A 606 12.511 -7.302 0.541 1.00 0.00 C ATOM 1539 C TRP A 606 12.571 -7.206 2.056 1.00 0.00 C ATOM 1540 O TRP A 606 11.989 -8.033 2.759 1.00 0.00 O ATOM 1541 CB TRP A 606 11.055 -7.379 0.079 1.00 0.00 C ATOM 1542 CG TRP A 606 10.861 -6.986 -1.350 1.00 0.00 C ATOM 1543 CD1 TRP A 606 10.876 -7.799 -2.445 1.00 0.00 C ATOM 1544 CD2 TRP A 606 10.623 -5.665 -1.832 1.00 0.00 C ATOM 1545 NE1 TRP A 606 10.660 -7.056 -3.582 1.00 0.00 N ATOM 1546 CE2 TRP A 606 10.502 -5.741 -3.230 1.00 0.00 C ATOM 1547 CE3 TRP A 606 10.501 -4.424 -1.211 1.00 0.00 C ATOM 1548 CZ2 TRP A 606 10.263 -4.616 -4.018 1.00 0.00 C ATOM 1549 CZ3 TRP A 606 10.266 -3.314 -1.989 1.00 0.00 C ATOM 1550 CH2 TRP A 606 10.149 -3.411 -3.378 1.00 0.00 C ATOM 0 H TRP A 606 12.683 -9.317 0.018 1.00 0.00 H new ATOM 0 HA TRP A 606 12.962 -6.414 0.098 1.00 0.00 H new ATOM 0 HB2 TRP A 606 10.691 -8.397 0.220 1.00 0.00 H new ATOM 0 HB3 TRP A 606 10.447 -6.732 0.711 1.00 0.00 H new ATOM 0 HD1 TRP A 606 11.034 -8.867 -2.423 1.00 0.00 H new ATOM 0 HE1 TRP A 606 10.623 -7.424 -4.533 1.00 0.00 H new ATOM 0 HE3 TRP A 606 10.589 -4.335 -0.138 1.00 0.00 H new ATOM 0 HZ2 TRP A 606 10.171 -4.692 -5.091 1.00 0.00 H new ATOM 0 HZ3 TRP A 606 10.170 -2.348 -1.516 1.00 0.00 H new ATOM 0 HH2 TRP A 606 9.965 -2.519 -3.958 1.00 0.00 H new ATOM 1561 N VAL A 607 13.275 -6.205 2.560 1.00 0.00 N ATOM 1562 CA VAL A 607 13.441 -6.052 3.994 1.00 0.00 C ATOM 1563 C VAL A 607 12.361 -5.149 4.566 1.00 0.00 C ATOM 1564 O VAL A 607 12.176 -4.016 4.122 1.00 0.00 O ATOM 1565 CB VAL A 607 14.828 -5.459 4.325 1.00 0.00 C ATOM 1566 CG1 VAL A 607 15.020 -5.322 5.829 1.00 0.00 C ATOM 1567 CG2 VAL A 607 15.935 -6.309 3.716 1.00 0.00 C ATOM 0 H VAL A 607 13.738 -5.490 1.999 1.00 0.00 H new ATOM 0 HA VAL A 607 13.358 -7.041 4.444 1.00 0.00 H new ATOM 0 HB VAL A 607 14.881 -4.462 3.888 1.00 0.00 H new ATOM 0 HG11 VAL A 607 16.005 -4.902 6.033 1.00 0.00 H new ATOM 0 HG12 VAL A 607 14.253 -4.663 6.235 1.00 0.00 H new ATOM 0 HG13 VAL A 607 14.940 -6.303 6.297 1.00 0.00 H new ATOM 0 HG21 VAL A 607 16.904 -5.874 3.961 1.00 0.00 H new ATOM 0 HG22 VAL A 607 15.879 -7.321 4.118 1.00 0.00 H new ATOM 0 HG23 VAL A 607 15.815 -6.341 2.633 1.00 0.00 H new ATOM 1577 N GLN A 608 11.644 -5.677 5.544 1.00 0.00 N ATOM 1578 CA GLN A 608 10.532 -4.979 6.157 1.00 0.00 C ATOM 1579 C GLN A 608 11.043 -3.871 7.070 1.00 0.00 C ATOM 1580 O GLN A 608 11.967 -4.071 7.863 1.00 0.00 O ATOM 1581 CB GLN A 608 9.663 -5.958 6.944 1.00 0.00 C ATOM 1582 CG GLN A 608 8.427 -5.314 7.547 1.00 0.00 C ATOM 1583 CD GLN A 608 7.440 -6.331 8.073 1.00 0.00 C ATOM 1584 OE1 GLN A 608 7.817 -7.419 8.511 1.00 0.00 O ATOM 1585 NE2 GLN A 608 6.167 -5.990 8.025 1.00 0.00 N ATOM 0 H GLN A 608 11.819 -6.603 5.934 1.00 0.00 H new ATOM 0 HA GLN A 608 9.925 -4.529 5.371 1.00 0.00 H new ATOM 0 HB2 GLN A 608 9.356 -6.771 6.286 1.00 0.00 H new ATOM 0 HB3 GLN A 608 10.259 -6.402 7.742 1.00 0.00 H new ATOM 0 HG2 GLN A 608 8.727 -4.650 8.358 1.00 0.00 H new ATOM 0 HG3 GLN A 608 7.939 -4.696 6.793 1.00 0.00 H new ATOM 0 HE21 GLN A 608 5.897 -5.079 7.655 1.00 0.00 H new ATOM 0 HE22 GLN A 608 5.453 -6.637 8.358 1.00 0.00 H new ATOM 1594 N LEU A 609 10.426 -2.711 6.955 1.00 0.00 N ATOM 1595 CA LEU A 609 10.844 -1.527 7.682 1.00 0.00 C ATOM 1596 C LEU A 609 9.980 -1.377 8.917 1.00 0.00 C ATOM 1597 O LEU A 609 8.795 -1.718 8.882 1.00 0.00 O ATOM 1598 CB LEU A 609 10.665 -0.294 6.794 1.00 0.00 C ATOM 1599 CG LEU A 609 11.426 -0.325 5.472 1.00 0.00 C ATOM 1600 CD1 LEU A 609 10.819 0.666 4.492 1.00 0.00 C ATOM 1601 CD2 LEU A 609 12.896 -0.012 5.707 1.00 0.00 C ATOM 0 H LEU A 609 9.617 -2.562 6.352 1.00 0.00 H new ATOM 0 HA LEU A 609 11.892 -1.622 7.968 1.00 0.00 H new ATOM 0 HB2 LEU A 609 9.603 -0.172 6.580 1.00 0.00 H new ATOM 0 HB3 LEU A 609 10.980 0.586 7.355 1.00 0.00 H new ATOM 0 HG LEU A 609 11.348 -1.324 5.044 1.00 0.00 H new ATOM 0 HD11 LEU A 609 11.371 0.634 3.553 1.00 0.00 H new ATOM 0 HD12 LEU A 609 9.777 0.405 4.309 1.00 0.00 H new ATOM 0 HD13 LEU A 609 10.873 1.671 4.910 1.00 0.00 H new ATOM 0 HD21 LEU A 609 13.430 -0.037 4.757 1.00 0.00 H new ATOM 0 HD22 LEU A 609 12.991 0.979 6.151 1.00 0.00 H new ATOM 0 HD23 LEU A 609 13.323 -0.754 6.382 1.00 0.00 H new ATOM 1613 N SER A 610 10.538 -0.889 10.010 1.00 0.00 N ATOM 1614 CA SER A 610 9.770 -0.587 11.194 1.00 0.00 C ATOM 1615 C SER A 610 9.195 0.810 11.071 1.00 0.00 C ATOM 1616 O SER A 610 9.600 1.569 10.188 1.00 0.00 O ATOM 1617 CB SER A 610 10.660 -0.717 12.427 1.00 0.00 C ATOM 1618 OG SER A 610 11.277 -1.993 12.458 1.00 0.00 O ATOM 0 H SER A 610 11.535 -0.693 10.097 1.00 0.00 H new ATOM 0 HA SER A 610 8.944 -1.291 11.299 1.00 0.00 H new ATOM 0 HB2 SER A 610 11.422 0.062 12.417 1.00 0.00 H new ATOM 0 HB3 SER A 610 10.066 -0.571 13.329 1.00 0.00 H new ATOM 0 HG SER A 610 11.846 -2.062 13.253 1.00 0.00 H new ATOM 1624 N ALA A 611 8.252 1.148 11.937 1.00 0.00 N ATOM 1625 CA ALA A 611 7.567 2.429 11.869 1.00 0.00 C ATOM 1626 C ALA A 611 8.546 3.599 11.851 1.00 0.00 C ATOM 1627 O ALA A 611 8.273 4.628 11.243 1.00 0.00 O ATOM 1628 CB ALA A 611 6.596 2.571 13.031 1.00 0.00 C ATOM 0 H ALA A 611 7.942 0.547 12.701 1.00 0.00 H new ATOM 0 HA ALA A 611 7.011 2.453 10.932 1.00 0.00 H new ATOM 0 HB1 ALA A 611 6.091 3.535 12.967 1.00 0.00 H new ATOM 0 HB2 ALA A 611 5.858 1.770 12.988 1.00 0.00 H new ATOM 0 HB3 ALA A 611 7.143 2.510 13.972 1.00 0.00 H new ATOM 1634 N GLU A 612 9.672 3.453 12.537 1.00 0.00 N ATOM 1635 CA GLU A 612 10.664 4.524 12.592 1.00 0.00 C ATOM 1636 C GLU A 612 11.422 4.653 11.266 1.00 0.00 C ATOM 1637 O GLU A 612 11.868 5.740 10.903 1.00 0.00 O ATOM 1638 CB GLU A 612 11.648 4.286 13.735 1.00 0.00 C ATOM 1639 CG GLU A 612 11.011 4.405 15.106 1.00 0.00 C ATOM 1640 CD GLU A 612 10.381 5.764 15.335 1.00 0.00 C ATOM 1641 OE1 GLU A 612 11.117 6.725 15.639 1.00 0.00 O ATOM 1642 OE2 GLU A 612 9.143 5.878 15.212 1.00 0.00 O ATOM 0 H GLU A 612 9.922 2.613 13.059 1.00 0.00 H new ATOM 0 HA GLU A 612 10.131 5.458 12.771 1.00 0.00 H new ATOM 0 HB2 GLU A 612 12.084 3.293 13.629 1.00 0.00 H new ATOM 0 HB3 GLU A 612 12.465 5.003 13.658 1.00 0.00 H new ATOM 0 HG2 GLU A 612 10.251 3.632 15.219 1.00 0.00 H new ATOM 0 HG3 GLU A 612 11.766 4.224 15.871 1.00 0.00 H new ATOM 1649 N GLU A 613 11.559 3.546 10.543 1.00 0.00 N ATOM 1650 CA GLU A 613 12.261 3.545 9.261 1.00 0.00 C ATOM 1651 C GLU A 613 11.342 4.025 8.143 1.00 0.00 C ATOM 1652 O GLU A 613 11.799 4.591 7.146 1.00 0.00 O ATOM 1653 CB GLU A 613 12.769 2.141 8.929 1.00 0.00 C ATOM 1654 CG GLU A 613 13.737 1.575 9.955 1.00 0.00 C ATOM 1655 CD GLU A 613 14.132 0.143 9.653 1.00 0.00 C ATOM 1656 OE1 GLU A 613 13.404 -0.779 10.079 1.00 0.00 O ATOM 1657 OE2 GLU A 613 15.173 -0.071 8.992 1.00 0.00 O ATOM 0 H GLU A 613 11.193 2.636 10.822 1.00 0.00 H new ATOM 0 HA GLU A 613 13.109 4.225 9.344 1.00 0.00 H new ATOM 0 HB2 GLU A 613 11.916 1.469 8.840 1.00 0.00 H new ATOM 0 HB3 GLU A 613 13.259 2.164 7.956 1.00 0.00 H new ATOM 0 HG2 GLU A 613 14.632 2.196 9.987 1.00 0.00 H new ATOM 0 HG3 GLU A 613 13.281 1.622 10.944 1.00 0.00 H new ATOM 1664 N ILE A 614 10.048 3.776 8.324 1.00 0.00 N ATOM 1665 CA ILE A 614 9.022 4.133 7.342 1.00 0.00 C ATOM 1666 C ILE A 614 9.166 5.569 6.800 1.00 0.00 C ATOM 1667 O ILE A 614 9.326 5.753 5.592 1.00 0.00 O ATOM 1668 CB ILE A 614 7.607 3.952 7.945 1.00 0.00 C ATOM 1669 CG1 ILE A 614 7.270 2.465 8.087 1.00 0.00 C ATOM 1670 CG2 ILE A 614 6.562 4.673 7.111 1.00 0.00 C ATOM 1671 CD1 ILE A 614 5.871 2.201 8.610 1.00 0.00 C ATOM 0 H ILE A 614 9.678 3.320 9.158 1.00 0.00 H new ATOM 0 HA ILE A 614 9.164 3.455 6.501 1.00 0.00 H new ATOM 0 HB ILE A 614 7.600 4.398 8.939 1.00 0.00 H new ATOM 0 HG12 ILE A 614 7.382 1.983 7.116 1.00 0.00 H new ATOM 0 HG13 ILE A 614 7.992 2.001 8.759 1.00 0.00 H new ATOM 0 HG21 ILE A 614 5.578 4.529 7.557 1.00 0.00 H new ATOM 0 HG22 ILE A 614 6.794 5.738 7.078 1.00 0.00 H new ATOM 0 HG23 ILE A 614 6.564 4.270 6.098 1.00 0.00 H new ATOM 0 HD11 ILE A 614 5.707 1.126 8.683 1.00 0.00 H new ATOM 0 HD12 ILE A 614 5.760 2.653 9.596 1.00 0.00 H new ATOM 0 HD13 ILE A 614 5.140 2.634 7.928 1.00 0.00 H new ATOM 1683 N PRO A 615 9.134 6.603 7.669 1.00 0.00 N ATOM 1684 CA PRO A 615 9.176 8.002 7.229 1.00 0.00 C ATOM 1685 C PRO A 615 10.455 8.339 6.476 1.00 0.00 C ATOM 1686 O PRO A 615 10.436 9.129 5.534 1.00 0.00 O ATOM 1687 CB PRO A 615 9.093 8.805 8.531 1.00 0.00 C ATOM 1688 CG PRO A 615 9.491 7.849 9.597 1.00 0.00 C ATOM 1689 CD PRO A 615 9.037 6.505 9.132 1.00 0.00 C ATOM 0 HA PRO A 615 8.369 8.224 6.531 1.00 0.00 H new ATOM 0 HB2 PRO A 615 9.758 9.668 8.506 1.00 0.00 H new ATOM 0 HB3 PRO A 615 8.085 9.185 8.697 1.00 0.00 H new ATOM 0 HG2 PRO A 615 10.570 7.865 9.753 1.00 0.00 H new ATOM 0 HG3 PRO A 615 9.028 8.110 10.549 1.00 0.00 H new ATOM 0 HD2 PRO A 615 9.669 5.709 9.525 1.00 0.00 H new ATOM 0 HD3 PRO A 615 8.018 6.291 9.454 1.00 0.00 H new ATOM 1697 N SER A 616 11.557 7.711 6.864 1.00 0.00 N ATOM 1698 CA SER A 616 12.844 7.979 6.241 1.00 0.00 C ATOM 1699 C SER A 616 12.848 7.476 4.800 1.00 0.00 C ATOM 1700 O SER A 616 13.484 8.061 3.923 1.00 0.00 O ATOM 1701 CB SER A 616 13.955 7.315 7.051 1.00 0.00 C ATOM 1702 OG SER A 616 13.884 7.710 8.412 1.00 0.00 O ATOM 0 H SER A 616 11.584 7.013 7.607 1.00 0.00 H new ATOM 0 HA SER A 616 13.019 9.055 6.224 1.00 0.00 H new ATOM 0 HB2 SER A 616 13.869 6.231 6.976 1.00 0.00 H new ATOM 0 HB3 SER A 616 14.926 7.587 6.638 1.00 0.00 H new ATOM 0 HG SER A 616 14.602 7.274 8.917 1.00 0.00 H new ATOM 1708 N ARG A 617 12.115 6.395 4.560 1.00 0.00 N ATOM 1709 CA ARG A 617 11.905 5.888 3.216 1.00 0.00 C ATOM 1710 C ARG A 617 10.953 6.784 2.439 1.00 0.00 C ATOM 1711 O ARG A 617 11.208 7.127 1.282 1.00 0.00 O ATOM 1712 CB ARG A 617 11.367 4.463 3.273 1.00 0.00 C ATOM 1713 CG ARG A 617 12.424 3.409 3.008 1.00 0.00 C ATOM 1714 CD ARG A 617 13.559 3.466 4.016 1.00 0.00 C ATOM 1715 NE ARG A 617 14.698 2.665 3.576 1.00 0.00 N ATOM 1716 CZ ARG A 617 15.776 2.419 4.316 1.00 0.00 C ATOM 1717 NH1 ARG A 617 15.856 2.881 5.558 1.00 0.00 N ATOM 1718 NH2 ARG A 617 16.771 1.702 3.814 1.00 0.00 N ATOM 0 H ARG A 617 11.654 5.851 5.289 1.00 0.00 H new ATOM 0 HA ARG A 617 12.863 5.884 2.697 1.00 0.00 H new ATOM 0 HB2 ARG A 617 10.928 4.287 4.255 1.00 0.00 H new ATOM 0 HB3 ARG A 617 10.566 4.355 2.542 1.00 0.00 H new ATOM 0 HG2 ARG A 617 11.964 2.421 3.037 1.00 0.00 H new ATOM 0 HG3 ARG A 617 12.826 3.544 2.004 1.00 0.00 H new ATOM 0 HD2 ARG A 617 13.872 4.501 4.157 1.00 0.00 H new ATOM 0 HD3 ARG A 617 13.209 3.104 4.983 1.00 0.00 H new ATOM 0 HE ARG A 617 14.665 2.267 2.637 1.00 0.00 H new ATOM 0 HH11 ARG A 617 15.089 3.427 5.949 1.00 0.00 H new ATOM 0 HH12 ARG A 617 16.685 2.689 6.121 1.00 0.00 H new ATOM 0 HH21 ARG A 617 16.709 1.340 2.862 1.00 0.00 H new ATOM 0 HH22 ARG A 617 17.599 1.512 4.379 1.00 0.00 H new ATOM 1732 N ILE A 618 9.859 7.171 3.088 1.00 0.00 N ATOM 1733 CA ILE A 618 8.848 8.012 2.461 1.00 0.00 C ATOM 1734 C ILE A 618 9.452 9.319 1.962 1.00 0.00 C ATOM 1735 O ILE A 618 9.106 9.795 0.889 1.00 0.00 O ATOM 1736 CB ILE A 618 7.687 8.331 3.425 1.00 0.00 C ATOM 1737 CG1 ILE A 618 6.967 7.046 3.836 1.00 0.00 C ATOM 1738 CG2 ILE A 618 6.716 9.312 2.783 1.00 0.00 C ATOM 1739 CD1 ILE A 618 5.774 7.282 4.737 1.00 0.00 C ATOM 0 H ILE A 618 9.651 6.913 4.053 1.00 0.00 H new ATOM 0 HA ILE A 618 8.456 7.446 1.616 1.00 0.00 H new ATOM 0 HB ILE A 618 8.097 8.795 4.322 1.00 0.00 H new ATOM 0 HG12 ILE A 618 6.637 6.522 2.939 1.00 0.00 H new ATOM 0 HG13 ILE A 618 7.673 6.391 4.346 1.00 0.00 H new ATOM 0 HG21 ILE A 618 5.903 9.526 3.477 1.00 0.00 H new ATOM 0 HG22 ILE A 618 7.240 10.237 2.541 1.00 0.00 H new ATOM 0 HG23 ILE A 618 6.309 8.876 1.870 1.00 0.00 H new ATOM 0 HD11 ILE A 618 5.313 6.327 4.988 1.00 0.00 H new ATOM 0 HD12 ILE A 618 6.101 7.778 5.651 1.00 0.00 H new ATOM 0 HD13 ILE A 618 5.048 7.911 4.222 1.00 0.00 H new ATOM 1751 N GLN A 619 10.362 9.882 2.742 1.00 0.00 N ATOM 1752 CA GLN A 619 11.022 11.137 2.393 1.00 0.00 C ATOM 1753 C GLN A 619 11.729 11.058 1.041 1.00 0.00 C ATOM 1754 O GLN A 619 11.767 12.035 0.293 1.00 0.00 O ATOM 1755 CB GLN A 619 12.002 11.529 3.491 1.00 0.00 C ATOM 1756 CG GLN A 619 11.310 11.924 4.781 1.00 0.00 C ATOM 1757 CD GLN A 619 10.570 13.241 4.663 1.00 0.00 C ATOM 1758 OE1 GLN A 619 11.136 14.309 4.904 1.00 0.00 O ATOM 1759 NE2 GLN A 619 9.301 13.181 4.296 1.00 0.00 N ATOM 0 H GLN A 619 10.665 9.486 3.632 1.00 0.00 H new ATOM 0 HA GLN A 619 10.253 11.905 2.305 1.00 0.00 H new ATOM 0 HB2 GLN A 619 12.675 10.694 3.686 1.00 0.00 H new ATOM 0 HB3 GLN A 619 12.616 12.360 3.144 1.00 0.00 H new ATOM 0 HG2 GLN A 619 10.608 11.141 5.067 1.00 0.00 H new ATOM 0 HG3 GLN A 619 12.049 11.997 5.579 1.00 0.00 H new ATOM 0 HE21 GLN A 619 8.867 12.278 4.105 1.00 0.00 H new ATOM 0 HE22 GLN A 619 8.756 14.038 4.204 1.00 0.00 H new ATOM 1768 N ALA A 620 12.274 9.897 0.718 1.00 0.00 N ATOM 1769 CA ALA A 620 12.986 9.718 -0.542 1.00 0.00 C ATOM 1770 C ALA A 620 12.008 9.658 -1.710 1.00 0.00 C ATOM 1771 O ALA A 620 12.191 10.326 -2.729 1.00 0.00 O ATOM 1772 CB ALA A 620 13.831 8.453 -0.494 1.00 0.00 C ATOM 0 H ALA A 620 12.239 9.065 1.307 1.00 0.00 H new ATOM 0 HA ALA A 620 13.644 10.574 -0.690 1.00 0.00 H new ATOM 0 HB1 ALA A 620 14.357 8.331 -1.441 1.00 0.00 H new ATOM 0 HB2 ALA A 620 14.555 8.530 0.317 1.00 0.00 H new ATOM 0 HB3 ALA A 620 13.186 7.591 -0.324 1.00 0.00 H new ATOM 1778 N ILE A 621 10.948 8.883 -1.529 1.00 0.00 N ATOM 1779 CA ILE A 621 9.919 8.742 -2.556 1.00 0.00 C ATOM 1780 C ILE A 621 8.979 9.944 -2.528 1.00 0.00 C ATOM 1781 O ILE A 621 8.037 10.052 -3.311 1.00 0.00 O ATOM 1782 CB ILE A 621 9.119 7.436 -2.379 1.00 0.00 C ATOM 1783 CG1 ILE A 621 8.476 7.375 -0.994 1.00 0.00 C ATOM 1784 CG2 ILE A 621 10.026 6.234 -2.596 1.00 0.00 C ATOM 1785 CD1 ILE A 621 7.666 6.121 -0.764 1.00 0.00 C ATOM 0 H ILE A 621 10.776 8.341 -0.682 1.00 0.00 H new ATOM 0 HA ILE A 621 10.417 8.699 -3.524 1.00 0.00 H new ATOM 0 HB ILE A 621 8.323 7.416 -3.123 1.00 0.00 H new ATOM 0 HG12 ILE A 621 9.257 7.439 -0.236 1.00 0.00 H new ATOM 0 HG13 ILE A 621 7.832 8.244 -0.862 1.00 0.00 H new ATOM 0 HG21 ILE A 621 9.451 5.317 -2.469 1.00 0.00 H new ATOM 0 HG22 ILE A 621 10.438 6.267 -3.604 1.00 0.00 H new ATOM 0 HG23 ILE A 621 10.839 6.256 -1.871 1.00 0.00 H new ATOM 0 HD11 ILE A 621 7.238 6.143 0.238 1.00 0.00 H new ATOM 0 HD12 ILE A 621 6.864 6.066 -1.500 1.00 0.00 H new ATOM 0 HD13 ILE A 621 8.311 5.248 -0.864 1.00 0.00 H new