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 -75:sc= -1.76! USER MOD Set 1.2: A 605 GLN : amide:sc= -5.39! C(o=-7.2!,f=-5.5!) USER MOD Set 2.1: A 531 HIS : no HD1:sc= -0.541 X(o=-0.54,f=-0.88) USER MOD Set 2.2: A 577 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 561 LYS NZ :NH3+ 140:sc= 1.01 (180deg=0) USER MOD Set 3.2: A 562 GLN : amide:sc= -0.194 K(o=0.82,f=-3.6) USER MOD Single : A 521 THR OG1 : rot 180:sc= -0.367 USER MOD Single : A 530 GLN : amide:sc= -1.81 K(o=-1.8,f=-1.2) USER MOD Single : A 540 LYS NZ :NH3+ -164:sc= 0.0548 (180deg=0.0267) USER MOD Single : A 541 LYS NZ :NH3+ -169:sc= -0.0192 (180deg=-0.159) 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=-0.0069) USER MOD Single : A 547 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 550 THR OG1 : rot 110:sc= 0.873 USER MOD Single : A 552 TYR OH : rot 180:sc= 0.344 USER MOD Single : A 553 TYR OH : rot 62:sc= 1.24 USER MOD Single : A 556 CYS SG : rot 180:sc= 0 USER MOD Single : A 558 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 560 MET CE :methyl 156:sc= -0.542 (180deg=-1.74!) USER MOD Single : A 568 LYS NZ :NH3+ -128:sc= -0.599 (180deg=-2.37!) USER MOD Single : A 569 TYR OH : rot 165:sc= 0 USER MOD Single : A 571 SER OG : rot 79:sc= 1.26 USER MOD Single : A 573 ASN : amide:sc= 0.804 K(o=0.8,f=0) USER MOD Single : A 576 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 582 HIS : no HD1:sc= -0.612 K(o=-0.61,f=-11!) USER MOD Single : A 584 SER OG : rot -90:sc= -0.0398 USER MOD Single : A 586 SER OG : rot 180:sc= 0 USER MOD Single : A 589 MET CE :methyl 167:sc= -0.0557 (180deg=-0.31) USER MOD Single : A 608 GLN : amide:sc= -0.167 X(o=-0.17,f=-0.25) 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= -0.456 X(o=-0.46,f=-0.19) USER MOD ----------------------------------------------------------------- ATOM 94 N ALA A 520 -7.604 -10.484 -1.256 1.00 0.00 N ATOM 95 CA ALA A 520 -7.774 -9.554 -2.348 1.00 0.00 C ATOM 96 C ALA A 520 -6.841 -9.884 -3.500 1.00 0.00 C ATOM 97 O ALA A 520 -5.729 -10.376 -3.302 1.00 0.00 O ATOM 98 CB ALA A 520 -7.542 -8.136 -1.864 1.00 0.00 C ATOM 0 HA ALA A 520 -8.797 -9.640 -2.714 1.00 0.00 H new ATOM 0 HB1 ALA A 520 -7.672 -7.442 -2.694 1.00 0.00 H new ATOM 0 HB2 ALA A 520 -8.258 -7.899 -1.077 1.00 0.00 H new ATOM 0 HB3 ALA A 520 -6.529 -8.046 -1.472 1.00 0.00 H new ATOM 104 N THR A 521 -7.318 -9.624 -4.698 1.00 0.00 N ATOM 105 CA THR A 521 -6.520 -9.765 -5.896 1.00 0.00 C ATOM 106 C THR A 521 -5.971 -8.415 -6.324 1.00 0.00 C ATOM 107 O THR A 521 -6.604 -7.390 -6.091 1.00 0.00 O ATOM 108 CB THR A 521 -7.358 -10.366 -7.035 1.00 0.00 C ATOM 109 OG1 THR A 521 -8.722 -9.955 -6.899 1.00 0.00 O ATOM 110 CG2 THR A 521 -7.271 -11.884 -7.034 1.00 0.00 C ATOM 0 H THR A 521 -8.273 -9.308 -4.869 1.00 0.00 H new ATOM 0 HA THR A 521 -5.690 -10.436 -5.676 1.00 0.00 H new ATOM 0 HB THR A 521 -6.961 -10.003 -7.983 1.00 0.00 H new ATOM 0 HG1 THR A 521 -9.253 -10.338 -7.628 1.00 0.00 H new ATOM 0 HG21 THR A 521 -7.873 -12.283 -7.850 1.00 0.00 H new ATOM 0 HG22 THR A 521 -6.233 -12.189 -7.166 1.00 0.00 H new ATOM 0 HG23 THR A 521 -7.644 -12.269 -6.085 1.00 0.00 H new ATOM 118 N PRO A 522 -4.788 -8.392 -6.954 1.00 0.00 N ATOM 119 CA PRO A 522 -4.165 -7.150 -7.415 1.00 0.00 C ATOM 120 C PRO A 522 -5.106 -6.334 -8.296 1.00 0.00 C ATOM 121 O PRO A 522 -5.164 -5.110 -8.197 1.00 0.00 O ATOM 122 CB PRO A 522 -2.948 -7.622 -8.224 1.00 0.00 C ATOM 123 CG PRO A 522 -3.139 -9.089 -8.424 1.00 0.00 C ATOM 124 CD PRO A 522 -3.959 -9.564 -7.263 1.00 0.00 C ATOM 0 HA PRO A 522 -3.902 -6.496 -6.584 1.00 0.00 H new ATOM 0 HB2 PRO A 522 -2.888 -7.101 -9.180 1.00 0.00 H new ATOM 0 HB3 PRO A 522 -2.020 -7.417 -7.690 1.00 0.00 H new ATOM 0 HG2 PRO A 522 -3.646 -9.291 -9.368 1.00 0.00 H new ATOM 0 HG3 PRO A 522 -2.180 -9.605 -8.461 1.00 0.00 H new ATOM 0 HD2 PRO A 522 -4.565 -10.432 -7.523 1.00 0.00 H new ATOM 0 HD3 PRO A 522 -3.335 -9.853 -6.417 1.00 0.00 H new ATOM 132 N GLU A 523 -5.830 -7.034 -9.158 1.00 0.00 N ATOM 133 CA GLU A 523 -6.809 -6.397 -10.032 1.00 0.00 C ATOM 134 C GLU A 523 -7.882 -5.669 -9.207 1.00 0.00 C ATOM 135 O GLU A 523 -8.306 -4.571 -9.561 1.00 0.00 O ATOM 136 CB GLU A 523 -7.448 -7.415 -10.979 1.00 0.00 C ATOM 137 CG GLU A 523 -8.083 -8.605 -10.283 1.00 0.00 C ATOM 138 CD GLU A 523 -8.766 -9.539 -11.256 1.00 0.00 C ATOM 139 OE1 GLU A 523 -8.100 -10.462 -11.767 1.00 0.00 O ATOM 140 OE2 GLU A 523 -9.974 -9.354 -11.514 1.00 0.00 O ATOM 0 H GLU A 523 -5.759 -8.045 -9.272 1.00 0.00 H new ATOM 0 HA GLU A 523 -6.286 -5.658 -10.640 1.00 0.00 H new ATOM 0 HB2 GLU A 523 -8.208 -6.911 -11.576 1.00 0.00 H new ATOM 0 HB3 GLU A 523 -6.687 -7.777 -11.671 1.00 0.00 H new ATOM 0 HG2 GLU A 523 -7.318 -9.153 -9.733 1.00 0.00 H new ATOM 0 HG3 GLU A 523 -8.809 -8.251 -9.552 1.00 0.00 H new ATOM 147 N GLU A 524 -8.308 -6.277 -8.100 1.00 0.00 N ATOM 148 CA GLU A 524 -9.254 -5.639 -7.195 1.00 0.00 C ATOM 149 C GLU A 524 -8.589 -4.510 -6.404 1.00 0.00 C ATOM 150 O GLU A 524 -9.232 -3.531 -6.052 1.00 0.00 O ATOM 151 CB GLU A 524 -9.876 -6.663 -6.243 1.00 0.00 C ATOM 152 CG GLU A 524 -10.777 -7.677 -6.935 1.00 0.00 C ATOM 153 CD GLU A 524 -11.940 -7.039 -7.675 1.00 0.00 C ATOM 154 OE1 GLU A 524 -12.969 -6.736 -7.033 1.00 0.00 O ATOM 155 OE2 GLU A 524 -11.840 -6.861 -8.908 1.00 0.00 O ATOM 0 H GLU A 524 -8.011 -7.209 -7.812 1.00 0.00 H new ATOM 0 HA GLU A 524 -10.049 -5.205 -7.802 1.00 0.00 H new ATOM 0 HB2 GLU A 524 -9.078 -7.194 -5.724 1.00 0.00 H new ATOM 0 HB3 GLU A 524 -10.454 -6.136 -5.484 1.00 0.00 H new ATOM 0 HG2 GLU A 524 -10.183 -8.260 -7.639 1.00 0.00 H new ATOM 0 HG3 GLU A 524 -11.166 -8.374 -6.192 1.00 0.00 H new ATOM 162 N VAL A 525 -7.300 -4.650 -6.125 1.00 0.00 N ATOM 163 CA VAL A 525 -6.573 -3.644 -5.353 1.00 0.00 C ATOM 164 C VAL A 525 -6.312 -2.383 -6.187 1.00 0.00 C ATOM 165 O VAL A 525 -6.240 -1.276 -5.654 1.00 0.00 O ATOM 166 CB VAL A 525 -5.235 -4.196 -4.812 1.00 0.00 C ATOM 167 CG1 VAL A 525 -4.487 -3.136 -4.017 1.00 0.00 C ATOM 168 CG2 VAL A 525 -5.463 -5.430 -3.950 1.00 0.00 C ATOM 0 H VAL A 525 -6.735 -5.447 -6.419 1.00 0.00 H new ATOM 0 HA VAL A 525 -7.206 -3.381 -4.505 1.00 0.00 H new ATOM 0 HB VAL A 525 -4.626 -4.479 -5.670 1.00 0.00 H new ATOM 0 HG11 VAL A 525 -3.549 -3.552 -3.648 1.00 0.00 H new ATOM 0 HG12 VAL A 525 -4.277 -2.280 -4.659 1.00 0.00 H new ATOM 0 HG13 VAL A 525 -5.098 -2.815 -3.173 1.00 0.00 H new ATOM 0 HG21 VAL A 525 -4.506 -5.799 -3.582 1.00 0.00 H new ATOM 0 HG22 VAL A 525 -6.101 -5.171 -3.105 1.00 0.00 H new ATOM 0 HG23 VAL A 525 -5.946 -6.205 -4.545 1.00 0.00 H new ATOM 178 N ARG A 526 -6.152 -2.550 -7.496 1.00 0.00 N ATOM 179 CA ARG A 526 -6.009 -1.401 -8.390 1.00 0.00 C ATOM 180 C ARG A 526 -7.362 -0.800 -8.740 1.00 0.00 C ATOM 181 O ARG A 526 -7.432 0.307 -9.265 1.00 0.00 O ATOM 182 CB ARG A 526 -5.251 -1.756 -9.672 1.00 0.00 C ATOM 183 CG ARG A 526 -5.818 -2.934 -10.440 1.00 0.00 C ATOM 184 CD ARG A 526 -4.954 -3.269 -11.646 1.00 0.00 C ATOM 185 NE ARG A 526 -3.600 -3.677 -11.260 1.00 0.00 N ATOM 186 CZ ARG A 526 -2.504 -2.937 -11.460 1.00 0.00 C ATOM 187 NH1 ARG A 526 -2.598 -1.732 -12.009 1.00 0.00 N ATOM 188 NH2 ARG A 526 -1.312 -3.401 -11.103 1.00 0.00 N ATOM 0 H ARG A 526 -6.118 -3.458 -7.960 1.00 0.00 H new ATOM 0 HA ARG A 526 -5.423 -0.660 -7.847 1.00 0.00 H new ATOM 0 HB2 ARG A 526 -5.243 -0.884 -10.326 1.00 0.00 H new ATOM 0 HB3 ARG A 526 -4.214 -1.972 -9.416 1.00 0.00 H new ATOM 0 HG2 ARG A 526 -5.884 -3.802 -9.784 1.00 0.00 H new ATOM 0 HG3 ARG A 526 -6.832 -2.704 -10.768 1.00 0.00 H new ATOM 0 HD2 ARG A 526 -5.424 -4.070 -12.217 1.00 0.00 H new ATOM 0 HD3 ARG A 526 -4.897 -2.401 -12.303 1.00 0.00 H new ATOM 0 HE ARG A 526 -3.486 -4.585 -10.809 1.00 0.00 H new ATOM 0 HH11 ARG A 526 -3.510 -1.365 -12.281 1.00 0.00 H new ATOM 0 HH12 ARG A 526 -1.758 -1.173 -12.159 1.00 0.00 H new ATOM 0 HH21 ARG A 526 -1.231 -4.323 -10.675 1.00 0.00 H new ATOM 0 HH22 ARG A 526 -0.477 -2.835 -11.256 1.00 0.00 H new ATOM 202 N LEU A 527 -8.429 -1.541 -8.471 1.00 0.00 N ATOM 203 CA LEU A 527 -9.795 -1.072 -8.701 1.00 0.00 C ATOM 204 C LEU A 527 -10.020 0.333 -8.108 1.00 0.00 C ATOM 205 O LEU A 527 -10.464 1.235 -8.817 1.00 0.00 O ATOM 206 CB LEU A 527 -10.781 -2.083 -8.096 1.00 0.00 C ATOM 207 CG LEU A 527 -11.967 -2.497 -8.967 1.00 0.00 C ATOM 208 CD1 LEU A 527 -12.941 -1.348 -9.122 1.00 0.00 C ATOM 209 CD2 LEU A 527 -11.490 -2.990 -10.324 1.00 0.00 C ATOM 0 H LEU A 527 -8.375 -2.484 -8.087 1.00 0.00 H new ATOM 0 HA LEU A 527 -9.963 -0.995 -9.775 1.00 0.00 H new ATOM 0 HB2 LEU A 527 -10.225 -2.982 -7.830 1.00 0.00 H new ATOM 0 HB3 LEU A 527 -11.171 -1.664 -7.169 1.00 0.00 H new ATOM 0 HG LEU A 527 -12.486 -3.318 -8.472 1.00 0.00 H new ATOM 0 HD11 LEU A 527 -13.778 -1.662 -9.745 1.00 0.00 H new ATOM 0 HD12 LEU A 527 -13.311 -1.050 -8.141 1.00 0.00 H new ATOM 0 HD13 LEU A 527 -12.436 -0.504 -9.592 1.00 0.00 H new ATOM 0 HD21 LEU A 527 -12.349 -3.280 -10.929 1.00 0.00 H new ATOM 0 HD22 LEU A 527 -10.943 -2.194 -10.829 1.00 0.00 H new ATOM 0 HD23 LEU A 527 -10.835 -3.851 -10.189 1.00 0.00 H new ATOM 221 N PRO A 528 -9.712 0.556 -6.810 1.00 0.00 N ATOM 222 CA PRO A 528 -9.841 1.879 -6.190 1.00 0.00 C ATOM 223 C PRO A 528 -8.946 2.923 -6.848 1.00 0.00 C ATOM 224 O PRO A 528 -9.298 4.103 -6.905 1.00 0.00 O ATOM 225 CB PRO A 528 -9.429 1.650 -4.730 1.00 0.00 C ATOM 226 CG PRO A 528 -8.682 0.366 -4.726 1.00 0.00 C ATOM 227 CD PRO A 528 -9.259 -0.453 -5.838 1.00 0.00 C ATOM 0 HA PRO A 528 -10.852 2.272 -6.294 1.00 0.00 H new ATOM 0 HB2 PRO A 528 -8.807 2.467 -4.365 1.00 0.00 H new ATOM 0 HB3 PRO A 528 -10.302 1.598 -4.079 1.00 0.00 H new ATOM 0 HG2 PRO A 528 -7.616 0.535 -4.879 1.00 0.00 H new ATOM 0 HG3 PRO A 528 -8.790 -0.145 -3.769 1.00 0.00 H new ATOM 0 HD2 PRO A 528 -8.515 -1.122 -6.271 1.00 0.00 H new ATOM 0 HD3 PRO A 528 -10.084 -1.075 -5.492 1.00 0.00 H new ATOM 235 N LEU A 529 -7.807 2.481 -7.374 1.00 0.00 N ATOM 236 CA LEU A 529 -6.879 3.377 -8.058 1.00 0.00 C ATOM 237 C LEU A 529 -7.520 3.921 -9.331 1.00 0.00 C ATOM 238 O LEU A 529 -7.194 5.017 -9.789 1.00 0.00 O ATOM 239 CB LEU A 529 -5.573 2.648 -8.409 1.00 0.00 C ATOM 240 CG LEU A 529 -4.858 1.962 -7.240 1.00 0.00 C ATOM 241 CD1 LEU A 529 -3.569 1.304 -7.713 1.00 0.00 C ATOM 242 CD2 LEU A 529 -4.567 2.956 -6.131 1.00 0.00 C ATOM 0 H LEU A 529 -7.504 1.508 -7.340 1.00 0.00 H new ATOM 0 HA LEU A 529 -6.647 4.204 -7.386 1.00 0.00 H new ATOM 0 HB2 LEU A 529 -5.791 1.897 -9.168 1.00 0.00 H new ATOM 0 HB3 LEU A 529 -4.887 3.366 -8.859 1.00 0.00 H new ATOM 0 HG LEU A 529 -5.517 1.189 -6.845 1.00 0.00 H new ATOM 0 HD11 LEU A 529 -3.075 0.822 -6.869 1.00 0.00 H new ATOM 0 HD12 LEU A 529 -3.799 0.557 -8.473 1.00 0.00 H new ATOM 0 HD13 LEU A 529 -2.908 2.061 -8.136 1.00 0.00 H new ATOM 0 HD21 LEU A 529 -4.059 2.448 -5.311 1.00 0.00 H new ATOM 0 HD22 LEU A 529 -3.930 3.753 -6.515 1.00 0.00 H new ATOM 0 HD23 LEU A 529 -5.503 3.382 -5.770 1.00 0.00 H new ATOM 254 N GLN A 530 -8.445 3.145 -9.885 1.00 0.00 N ATOM 255 CA GLN A 530 -9.144 3.524 -11.107 1.00 0.00 C ATOM 256 C GLN A 530 -10.226 4.557 -10.804 1.00 0.00 C ATOM 257 O GLN A 530 -10.630 5.325 -11.678 1.00 0.00 O ATOM 258 CB GLN A 530 -9.798 2.297 -11.755 1.00 0.00 C ATOM 259 CG GLN A 530 -8.901 1.070 -11.829 1.00 0.00 C ATOM 260 CD GLN A 530 -9.572 -0.106 -12.517 1.00 0.00 C ATOM 261 OE1 GLN A 530 -10.420 0.068 -13.396 1.00 0.00 O ATOM 262 NE2 GLN A 530 -9.204 -1.311 -12.116 1.00 0.00 N ATOM 0 H GLN A 530 -8.730 2.243 -9.503 1.00 0.00 H new ATOM 0 HA GLN A 530 -8.412 3.951 -11.792 1.00 0.00 H new ATOM 0 HB2 GLN A 530 -10.697 2.041 -11.194 1.00 0.00 H new ATOM 0 HB3 GLN A 530 -10.116 2.561 -12.764 1.00 0.00 H new ATOM 0 HG2 GLN A 530 -7.987 1.325 -12.364 1.00 0.00 H new ATOM 0 HG3 GLN A 530 -8.609 0.777 -10.821 1.00 0.00 H new ATOM 0 HE21 GLN A 530 -8.499 -1.412 -11.386 1.00 0.00 H new ATOM 0 HE22 GLN A 530 -9.625 -2.139 -12.537 1.00 0.00 H new ATOM 271 N HIS A 531 -10.686 4.575 -9.559 1.00 0.00 N ATOM 272 CA HIS A 531 -11.808 5.422 -9.172 1.00 0.00 C ATOM 273 C HIS A 531 -11.358 6.737 -8.547 1.00 0.00 C ATOM 274 O HIS A 531 -12.089 7.728 -8.594 1.00 0.00 O ATOM 275 CB HIS A 531 -12.739 4.668 -8.222 1.00 0.00 C ATOM 276 CG HIS A 531 -13.610 3.678 -8.928 1.00 0.00 C ATOM 277 ND1 HIS A 531 -14.751 4.072 -9.581 1.00 0.00 N ATOM 278 CD2 HIS A 531 -13.451 2.343 -9.080 1.00 0.00 C ATOM 279 CE1 HIS A 531 -15.256 2.975 -10.118 1.00 0.00 C ATOM 280 NE2 HIS A 531 -14.504 1.903 -9.840 1.00 0.00 N ATOM 0 H HIS A 531 -10.300 4.013 -8.800 1.00 0.00 H new ATOM 0 HA HIS A 531 -12.350 5.673 -10.083 1.00 0.00 H new ATOM 0 HB2 HIS A 531 -12.142 4.150 -7.471 1.00 0.00 H new ATOM 0 HB3 HIS A 531 -13.367 5.384 -7.692 1.00 0.00 H new ATOM 0 HD2 HIS A 531 -12.649 1.740 -8.680 1.00 0.00 H new ATOM 0 HE1 HIS A 531 -16.161 2.947 -10.707 1.00 0.00 H new ATOM 0 HE2 HIS A 531 -14.680 0.943 -10.137 1.00 0.00 H new ATOM 288 N GLY A 532 -10.169 6.760 -7.967 1.00 0.00 N ATOM 289 CA GLY A 532 -9.669 7.998 -7.397 1.00 0.00 C ATOM 290 C GLY A 532 -8.721 7.779 -6.240 1.00 0.00 C ATOM 291 O GLY A 532 -7.883 8.632 -5.953 1.00 0.00 O ATOM 0 H GLY A 532 -9.546 5.957 -7.880 1.00 0.00 H new ATOM 0 HA2 GLY A 532 -9.159 8.568 -8.173 1.00 0.00 H new ATOM 0 HA3 GLY A 532 -10.511 8.602 -7.059 1.00 0.00 H new ATOM 295 N TRP A 533 -8.858 6.647 -5.565 1.00 0.00 N ATOM 296 CA TRP A 533 -7.966 6.298 -4.465 1.00 0.00 C ATOM 297 C TRP A 533 -6.544 6.111 -4.970 1.00 0.00 C ATOM 298 O TRP A 533 -6.330 5.846 -6.154 1.00 0.00 O ATOM 299 CB TRP A 533 -8.426 5.003 -3.802 1.00 0.00 C ATOM 300 CG TRP A 533 -9.765 5.094 -3.147 1.00 0.00 C ATOM 301 CD1 TRP A 533 -10.981 5.147 -3.763 1.00 0.00 C ATOM 302 CD2 TRP A 533 -10.023 5.114 -1.742 1.00 0.00 C ATOM 303 NE1 TRP A 533 -11.978 5.233 -2.826 1.00 0.00 N ATOM 304 CE2 TRP A 533 -11.416 5.204 -1.576 1.00 0.00 C ATOM 305 CE3 TRP A 533 -9.208 5.070 -0.608 1.00 0.00 C ATOM 306 CZ2 TRP A 533 -12.013 5.251 -0.320 1.00 0.00 C ATOM 307 CZ3 TRP A 533 -9.801 5.114 0.637 1.00 0.00 C ATOM 308 CH2 TRP A 533 -11.191 5.202 0.773 1.00 0.00 C ATOM 0 H TRP A 533 -9.579 5.952 -5.759 1.00 0.00 H new ATOM 0 HA TRP A 533 -7.991 7.112 -3.741 1.00 0.00 H new ATOM 0 HB2 TRP A 533 -8.454 4.213 -4.553 1.00 0.00 H new ATOM 0 HB3 TRP A 533 -7.688 4.708 -3.056 1.00 0.00 H new ATOM 0 HD1 TRP A 533 -11.136 5.125 -4.832 1.00 0.00 H new ATOM 0 HE1 TRP A 533 -12.975 5.307 -3.026 1.00 0.00 H new ATOM 0 HE3 TRP A 533 -8.134 5.003 -0.704 1.00 0.00 H new ATOM 0 HZ2 TRP A 533 -13.085 5.323 -0.212 1.00 0.00 H new ATOM 0 HZ3 TRP A 533 -9.182 5.080 1.521 1.00 0.00 H new ATOM 0 HH2 TRP A 533 -11.624 5.232 1.762 1.00 0.00 H new ATOM 319 N ARG A 534 -5.574 6.233 -4.079 1.00 0.00 N ATOM 320 CA ARG A 534 -4.182 5.980 -4.422 1.00 0.00 C ATOM 321 C ARG A 534 -3.572 5.051 -3.386 1.00 0.00 C ATOM 322 O ARG A 534 -4.088 4.949 -2.269 1.00 0.00 O ATOM 323 CB ARG A 534 -3.383 7.282 -4.483 1.00 0.00 C ATOM 324 CG ARG A 534 -3.788 8.202 -5.621 1.00 0.00 C ATOM 325 CD ARG A 534 -2.883 9.418 -5.687 1.00 0.00 C ATOM 326 NE ARG A 534 -3.001 10.257 -4.492 1.00 0.00 N ATOM 327 CZ ARG A 534 -2.021 11.027 -4.020 1.00 0.00 C ATOM 328 NH1 ARG A 534 -0.847 11.076 -4.639 1.00 0.00 N ATOM 329 NH2 ARG A 534 -2.218 11.758 -2.930 1.00 0.00 N ATOM 0 H ARG A 534 -5.725 6.507 -3.108 1.00 0.00 H new ATOM 0 HA ARG A 534 -4.146 5.515 -5.407 1.00 0.00 H new ATOM 0 HB2 ARG A 534 -3.502 7.814 -3.539 1.00 0.00 H new ATOM 0 HB3 ARG A 534 -2.324 7.042 -4.582 1.00 0.00 H new ATOM 0 HG2 ARG A 534 -3.743 7.659 -6.565 1.00 0.00 H new ATOM 0 HG3 ARG A 534 -4.822 8.521 -5.485 1.00 0.00 H new ATOM 0 HD2 ARG A 534 -1.849 9.094 -5.801 1.00 0.00 H new ATOM 0 HD3 ARG A 534 -3.132 10.007 -6.569 1.00 0.00 H new ATOM 0 HE ARG A 534 -3.889 10.252 -3.990 1.00 0.00 H new ATOM 0 HH11 ARG A 534 -0.691 10.522 -5.481 1.00 0.00 H new ATOM 0 HH12 ARG A 534 -0.101 11.668 -4.272 1.00 0.00 H new ATOM 0 HH21 ARG A 534 -3.119 11.730 -2.454 1.00 0.00 H new ATOM 0 HH22 ARG A 534 -1.468 12.347 -2.569 1.00 0.00 H new ATOM 343 N ARG A 535 -2.479 4.383 -3.737 1.00 0.00 N ATOM 344 CA ARG A 535 -1.852 3.465 -2.798 1.00 0.00 C ATOM 345 C ARG A 535 -0.344 3.403 -3.005 1.00 0.00 C ATOM 346 O ARG A 535 0.139 3.011 -4.069 1.00 0.00 O ATOM 347 CB ARG A 535 -2.453 2.074 -2.984 1.00 0.00 C ATOM 348 CG ARG A 535 -2.016 1.064 -1.943 1.00 0.00 C ATOM 349 CD ARG A 535 -1.414 -0.168 -2.589 1.00 0.00 C ATOM 350 NE ARG A 535 -1.520 -1.350 -1.734 1.00 0.00 N ATOM 351 CZ ARG A 535 -0.704 -2.400 -1.802 1.00 0.00 C ATOM 352 NH1 ARG A 535 0.284 -2.420 -2.686 1.00 0.00 N ATOM 353 NH2 ARG A 535 -0.872 -3.420 -0.972 1.00 0.00 N ATOM 0 H ARG A 535 -2.018 4.457 -4.644 1.00 0.00 H new ATOM 0 HA ARG A 535 -2.037 3.825 -1.786 1.00 0.00 H new ATOM 0 HB2 ARG A 535 -3.540 2.154 -2.962 1.00 0.00 H new ATOM 0 HB3 ARG A 535 -2.181 1.702 -3.972 1.00 0.00 H new ATOM 0 HG2 ARG A 535 -1.286 1.520 -1.275 1.00 0.00 H new ATOM 0 HG3 ARG A 535 -2.871 0.776 -1.332 1.00 0.00 H new ATOM 0 HD2 ARG A 535 -1.917 -0.361 -3.537 1.00 0.00 H new ATOM 0 HD3 ARG A 535 -0.365 0.020 -2.817 1.00 0.00 H new ATOM 0 HE ARG A 535 -2.268 -1.371 -1.041 1.00 0.00 H new ATOM 0 HH11 ARG A 535 0.421 -1.630 -3.316 1.00 0.00 H new ATOM 0 HH12 ARG A 535 0.908 -3.226 -2.736 1.00 0.00 H new ATOM 0 HH21 ARG A 535 -1.625 -3.399 -0.284 1.00 0.00 H new ATOM 0 HH22 ARG A 535 -0.249 -4.226 -1.022 1.00 0.00 H new ATOM 367 N GLU A 536 0.385 3.766 -1.971 1.00 0.00 N ATOM 368 CA GLU A 536 1.837 3.777 -2.018 1.00 0.00 C ATOM 369 C GLU A 536 2.396 2.769 -1.029 1.00 0.00 C ATOM 370 O GLU A 536 1.840 2.584 0.047 1.00 0.00 O ATOM 371 CB GLU A 536 2.382 5.164 -1.685 1.00 0.00 C ATOM 372 CG GLU A 536 2.012 6.225 -2.699 1.00 0.00 C ATOM 373 CD GLU A 536 2.694 7.548 -2.424 1.00 0.00 C ATOM 374 OE1 GLU A 536 2.396 8.173 -1.388 1.00 0.00 O ATOM 375 OE2 GLU A 536 3.529 7.972 -3.242 1.00 0.00 O ATOM 0 H GLU A 536 -0.007 4.061 -1.077 1.00 0.00 H new ATOM 0 HA GLU A 536 2.145 3.511 -3.029 1.00 0.00 H new ATOM 0 HB2 GLU A 536 2.010 5.465 -0.706 1.00 0.00 H new ATOM 0 HB3 GLU A 536 3.468 5.109 -1.610 1.00 0.00 H new ATOM 0 HG2 GLU A 536 2.283 5.880 -3.697 1.00 0.00 H new ATOM 0 HG3 GLU A 536 0.931 6.368 -2.693 1.00 0.00 H new ATOM 382 N VAL A 537 3.478 2.110 -1.390 1.00 0.00 N ATOM 383 CA VAL A 537 4.118 1.175 -0.481 1.00 0.00 C ATOM 384 C VAL A 537 5.521 1.655 -0.153 1.00 0.00 C ATOM 385 O VAL A 537 6.361 1.814 -1.036 1.00 0.00 O ATOM 386 CB VAL A 537 4.177 -0.253 -1.067 1.00 0.00 C ATOM 387 CG1 VAL A 537 4.805 -1.228 -0.077 1.00 0.00 C ATOM 388 CG2 VAL A 537 2.788 -0.726 -1.462 1.00 0.00 C ATOM 0 H VAL A 537 3.932 2.202 -2.299 1.00 0.00 H new ATOM 0 HA VAL A 537 3.518 1.134 0.428 1.00 0.00 H new ATOM 0 HB VAL A 537 4.804 -0.223 -1.958 1.00 0.00 H new ATOM 0 HG11 VAL A 537 4.833 -2.225 -0.517 1.00 0.00 H new ATOM 0 HG12 VAL A 537 5.820 -0.906 0.157 1.00 0.00 H new ATOM 0 HG13 VAL A 537 4.212 -1.251 0.837 1.00 0.00 H new ATOM 0 HG21 VAL A 537 2.850 -1.734 -1.873 1.00 0.00 H new ATOM 0 HG22 VAL A 537 2.142 -0.731 -0.584 1.00 0.00 H new ATOM 0 HG23 VAL A 537 2.374 -0.053 -2.213 1.00 0.00 H new ATOM 398 N ARG A 538 5.757 1.890 1.119 1.00 0.00 N ATOM 399 CA ARG A 538 7.033 2.414 1.570 1.00 0.00 C ATOM 400 C ARG A 538 7.861 1.302 2.191 1.00 0.00 C ATOM 401 O ARG A 538 7.458 0.706 3.190 1.00 0.00 O ATOM 402 CB ARG A 538 6.823 3.544 2.581 1.00 0.00 C ATOM 403 CG ARG A 538 5.899 4.646 2.087 1.00 0.00 C ATOM 404 CD ARG A 538 5.938 5.860 3.002 1.00 0.00 C ATOM 405 NE ARG A 538 5.655 5.519 4.396 1.00 0.00 N ATOM 406 CZ ARG A 538 6.007 6.281 5.432 1.00 0.00 C ATOM 407 NH1 ARG A 538 6.618 7.442 5.225 1.00 0.00 N ATOM 408 NH2 ARG A 538 5.741 5.887 6.672 1.00 0.00 N ATOM 0 H ARG A 538 5.080 1.726 1.864 1.00 0.00 H new ATOM 0 HA ARG A 538 7.568 2.817 0.710 1.00 0.00 H new ATOM 0 HB2 ARG A 538 6.414 3.125 3.500 1.00 0.00 H new ATOM 0 HB3 ARG A 538 7.790 3.979 2.832 1.00 0.00 H new ATOM 0 HG2 ARG A 538 6.189 4.940 1.078 1.00 0.00 H new ATOM 0 HG3 ARG A 538 4.879 4.267 2.027 1.00 0.00 H new ATOM 0 HD2 ARG A 538 6.920 6.328 2.938 1.00 0.00 H new ATOM 0 HD3 ARG A 538 5.211 6.595 2.656 1.00 0.00 H new ATOM 0 HE ARG A 538 5.160 4.648 4.587 1.00 0.00 H new ATOM 0 HH11 ARG A 538 6.818 7.751 4.274 1.00 0.00 H new ATOM 0 HH12 ARG A 538 6.887 8.025 6.017 1.00 0.00 H new ATOM 0 HH21 ARG A 538 5.266 4.999 6.834 1.00 0.00 H new ATOM 0 HH22 ARG A 538 6.012 6.472 7.462 1.00 0.00 H new ATOM 422 N ILE A 539 9.016 1.023 1.607 1.00 0.00 N ATOM 423 CA ILE A 539 9.873 -0.031 2.108 1.00 0.00 C ATOM 424 C ILE A 539 11.166 0.552 2.664 1.00 0.00 C ATOM 425 O ILE A 539 11.902 1.258 1.973 1.00 0.00 O ATOM 426 CB ILE A 539 10.201 -1.037 0.994 1.00 0.00 C ATOM 427 CG1 ILE A 539 8.907 -1.531 0.347 1.00 0.00 C ATOM 428 CG2 ILE A 539 11.004 -2.206 1.547 1.00 0.00 C ATOM 429 CD1 ILE A 539 9.119 -2.525 -0.770 1.00 0.00 C ATOM 0 H ILE A 539 9.378 1.512 0.788 1.00 0.00 H new ATOM 0 HA ILE A 539 9.341 -0.547 2.907 1.00 0.00 H new ATOM 0 HB ILE A 539 10.807 -0.540 0.237 1.00 0.00 H new ATOM 0 HG12 ILE A 539 8.282 -1.989 1.113 1.00 0.00 H new ATOM 0 HG13 ILE A 539 8.357 -0.674 -0.043 1.00 0.00 H new ATOM 0 HG21 ILE A 539 11.226 -2.907 0.743 1.00 0.00 H new ATOM 0 HG22 ILE A 539 11.936 -1.837 1.975 1.00 0.00 H new ATOM 0 HG23 ILE A 539 10.425 -2.712 2.320 1.00 0.00 H new ATOM 0 HD11 ILE A 539 8.154 -2.827 -1.177 1.00 0.00 H new ATOM 0 HD12 ILE A 539 9.717 -2.066 -1.557 1.00 0.00 H new ATOM 0 HD13 ILE A 539 9.640 -3.401 -0.383 1.00 0.00 H new ATOM 441 N LYS A 540 11.422 0.250 3.919 1.00 0.00 N ATOM 442 CA LYS A 540 12.616 0.741 4.583 1.00 0.00 C ATOM 443 C LYS A 540 13.389 -0.372 5.260 1.00 0.00 C ATOM 444 O LYS A 540 12.817 -1.369 5.709 1.00 0.00 O ATOM 445 CB LYS A 540 12.261 1.825 5.602 1.00 0.00 C ATOM 446 CG LYS A 540 11.433 1.325 6.777 1.00 0.00 C ATOM 447 CD LYS A 540 11.065 2.455 7.726 1.00 0.00 C ATOM 448 CE LYS A 540 12.278 3.280 8.124 1.00 0.00 C ATOM 449 NZ LYS A 540 13.305 2.474 8.840 1.00 0.00 N ATOM 0 H LYS A 540 10.821 -0.333 4.502 1.00 0.00 H new ATOM 0 HA LYS A 540 13.256 1.169 3.812 1.00 0.00 H new ATOM 0 HB2 LYS A 540 13.182 2.267 5.982 1.00 0.00 H new ATOM 0 HB3 LYS A 540 11.712 2.619 5.096 1.00 0.00 H new ATOM 0 HG2 LYS A 540 10.524 0.850 6.406 1.00 0.00 H new ATOM 0 HG3 LYS A 540 11.993 0.562 7.319 1.00 0.00 H new ATOM 0 HD2 LYS A 540 10.326 3.101 7.252 1.00 0.00 H new ATOM 0 HD3 LYS A 540 10.599 2.041 8.620 1.00 0.00 H new ATOM 0 HE2 LYS A 540 12.723 3.720 7.231 1.00 0.00 H new ATOM 0 HE3 LYS A 540 11.959 4.105 8.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 540 13.971 3.110 9.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 540 12.840 1.863 9.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 540 13.822 1.885 8.157 1.00 0.00 H new ATOM 463 N LYS A 541 14.697 -0.194 5.325 1.00 0.00 N ATOM 464 CA LYS A 541 15.526 -1.118 6.063 1.00 0.00 C ATOM 465 C LYS A 541 15.379 -0.814 7.547 1.00 0.00 C ATOM 466 O LYS A 541 15.485 0.343 7.964 1.00 0.00 O ATOM 467 CB LYS A 541 16.990 -0.982 5.631 1.00 0.00 C ATOM 468 CG LYS A 541 17.956 -1.846 6.428 1.00 0.00 C ATOM 469 CD LYS A 541 17.729 -3.325 6.173 1.00 0.00 C ATOM 470 CE LYS A 541 18.639 -4.187 7.030 1.00 0.00 C ATOM 471 NZ LYS A 541 20.076 -3.910 6.773 1.00 0.00 N ATOM 0 H LYS A 541 15.199 0.574 4.880 1.00 0.00 H new ATOM 0 HA LYS A 541 15.212 -2.142 5.862 1.00 0.00 H new ATOM 0 HB2 LYS A 541 17.072 -1.243 4.576 1.00 0.00 H new ATOM 0 HB3 LYS A 541 17.290 0.062 5.726 1.00 0.00 H new ATOM 0 HG2 LYS A 541 18.981 -1.584 6.164 1.00 0.00 H new ATOM 0 HG3 LYS A 541 17.838 -1.638 7.491 1.00 0.00 H new ATOM 0 HD2 LYS A 541 16.689 -3.575 6.381 1.00 0.00 H new ATOM 0 HD3 LYS A 541 17.905 -3.544 5.120 1.00 0.00 H new ATOM 0 HE2 LYS A 541 18.419 -4.010 8.083 1.00 0.00 H new ATOM 0 HE3 LYS A 541 18.432 -5.239 6.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 541 20.658 -4.639 7.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 541 20.254 -3.921 5.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 541 20.324 -2.976 7.157 1.00 0.00 H new ATOM 485 N GLY A 542 15.099 -1.834 8.330 1.00 0.00 N ATOM 486 CA GLY A 542 14.921 -1.640 9.750 1.00 0.00 C ATOM 487 C GLY A 542 16.108 -2.139 10.537 1.00 0.00 C ATOM 488 O GLY A 542 16.984 -2.810 9.987 1.00 0.00 O ATOM 0 H GLY A 542 14.991 -2.796 8.010 1.00 0.00 H new ATOM 0 HA2 GLY A 542 14.768 -0.581 9.956 1.00 0.00 H new ATOM 0 HA3 GLY A 542 14.022 -2.162 10.078 1.00 0.00 H new ATOM 492 N SER A 543 16.143 -1.811 11.818 1.00 0.00 N ATOM 493 CA SER A 543 17.210 -2.265 12.692 1.00 0.00 C ATOM 494 C SER A 543 17.087 -3.766 12.925 1.00 0.00 C ATOM 495 O SER A 543 18.066 -4.444 13.226 1.00 0.00 O ATOM 496 CB SER A 543 17.144 -1.520 14.025 1.00 0.00 C ATOM 497 OG SER A 543 17.083 -0.118 13.815 1.00 0.00 O ATOM 0 H SER A 543 15.441 -1.230 12.276 1.00 0.00 H new ATOM 0 HA SER A 543 18.170 -2.058 12.219 1.00 0.00 H new ATOM 0 HB2 SER A 543 16.269 -1.847 14.587 1.00 0.00 H new ATOM 0 HB3 SER A 543 18.019 -1.765 14.627 1.00 0.00 H new ATOM 0 HG SER A 543 17.040 0.341 14.680 1.00 0.00 H new ATOM 503 N HIS A 544 15.874 -4.274 12.766 1.00 0.00 N ATOM 504 CA HIS A 544 15.601 -5.684 12.977 1.00 0.00 C ATOM 505 C HIS A 544 15.665 -6.443 11.659 1.00 0.00 C ATOM 506 O HIS A 544 16.443 -7.386 11.512 1.00 0.00 O ATOM 507 CB HIS A 544 14.225 -5.867 13.626 1.00 0.00 C ATOM 508 CG HIS A 544 14.050 -5.071 14.884 1.00 0.00 C ATOM 509 ND1 HIS A 544 12.971 -4.239 15.064 1.00 0.00 N ATOM 510 CD2 HIS A 544 14.844 -5.008 15.978 1.00 0.00 C ATOM 511 CE1 HIS A 544 13.134 -3.691 16.256 1.00 0.00 C ATOM 512 NE2 HIS A 544 14.254 -4.127 16.847 1.00 0.00 N ATOM 0 H HIS A 544 15.060 -3.725 12.490 1.00 0.00 H new ATOM 0 HA HIS A 544 16.362 -6.086 13.646 1.00 0.00 H new ATOM 0 HB2 HIS A 544 13.453 -5.579 12.912 1.00 0.00 H new ATOM 0 HB3 HIS A 544 14.074 -6.923 13.849 1.00 0.00 H new ATOM 0 HD2 HIS A 544 15.766 -5.548 16.136 1.00 0.00 H new ATOM 0 HE1 HIS A 544 12.450 -2.981 16.698 1.00 0.00 H new ATOM 0 HE2 HIS A 544 14.601 -3.856 17.767 1.00 0.00 H new ATOM 520 N ARG A 545 14.844 -6.030 10.700 1.00 0.00 N ATOM 521 CA ARG A 545 14.788 -6.696 9.406 1.00 0.00 C ATOM 522 C ARG A 545 14.314 -5.743 8.317 1.00 0.00 C ATOM 523 O ARG A 545 14.226 -4.533 8.521 1.00 0.00 O ATOM 524 CB ARG A 545 13.853 -7.907 9.472 1.00 0.00 C ATOM 525 CG ARG A 545 12.412 -7.551 9.806 1.00 0.00 C ATOM 526 CD ARG A 545 11.489 -8.740 9.610 1.00 0.00 C ATOM 527 NE ARG A 545 11.426 -9.159 8.209 1.00 0.00 N ATOM 528 CZ ARG A 545 11.189 -10.411 7.819 1.00 0.00 C ATOM 529 NH1 ARG A 545 10.970 -11.361 8.722 1.00 0.00 N ATOM 530 NH2 ARG A 545 11.168 -10.712 6.526 1.00 0.00 N ATOM 0 H ARG A 545 14.209 -5.238 10.795 1.00 0.00 H new ATOM 0 HA ARG A 545 15.796 -7.030 9.159 1.00 0.00 H new ATOM 0 HB2 ARG A 545 13.877 -8.426 8.514 1.00 0.00 H new ATOM 0 HB3 ARG A 545 14.228 -8.604 10.221 1.00 0.00 H new ATOM 0 HG2 ARG A 545 12.350 -7.207 10.838 1.00 0.00 H new ATOM 0 HG3 ARG A 545 12.084 -6.725 9.175 1.00 0.00 H new ATOM 0 HD2 ARG A 545 11.835 -9.573 10.222 1.00 0.00 H new ATOM 0 HD3 ARG A 545 10.488 -8.483 9.957 1.00 0.00 H new ATOM 0 HE ARG A 545 11.572 -8.451 7.489 1.00 0.00 H new ATOM 0 HH11 ARG A 545 10.983 -11.133 9.716 1.00 0.00 H new ATOM 0 HH12 ARG A 545 10.789 -12.319 8.421 1.00 0.00 H new ATOM 0 HH21 ARG A 545 11.333 -9.985 5.830 1.00 0.00 H new ATOM 0 HH22 ARG A 545 10.987 -11.671 6.228 1.00 0.00 H new ATOM 544 N TRP A 546 14.021 -6.311 7.159 1.00 0.00 N ATOM 545 CA TRP A 546 13.448 -5.539 6.071 1.00 0.00 C ATOM 546 C TRP A 546 11.945 -5.458 6.245 1.00 0.00 C ATOM 547 O TRP A 546 11.272 -6.482 6.387 1.00 0.00 O ATOM 548 CB TRP A 546 13.789 -6.147 4.716 1.00 0.00 C ATOM 549 CG TRP A 546 15.126 -5.718 4.215 1.00 0.00 C ATOM 550 CD1 TRP A 546 16.329 -6.293 4.492 1.00 0.00 C ATOM 551 CD2 TRP A 546 15.394 -4.601 3.362 1.00 0.00 C ATOM 552 NE1 TRP A 546 17.333 -5.607 3.853 1.00 0.00 N ATOM 553 CE2 TRP A 546 16.783 -4.564 3.152 1.00 0.00 C ATOM 554 CE3 TRP A 546 14.592 -3.631 2.750 1.00 0.00 C ATOM 555 CZ2 TRP A 546 17.389 -3.594 2.359 1.00 0.00 C ATOM 556 CZ3 TRP A 546 15.195 -2.669 1.963 1.00 0.00 C ATOM 557 CH2 TRP A 546 16.582 -2.657 1.773 1.00 0.00 C ATOM 0 H TRP A 546 14.170 -7.298 6.949 1.00 0.00 H new ATOM 0 HA TRP A 546 13.875 -4.536 6.100 1.00 0.00 H new ATOM 0 HB2 TRP A 546 13.766 -7.234 4.794 1.00 0.00 H new ATOM 0 HB3 TRP A 546 13.025 -5.863 3.992 1.00 0.00 H new ATOM 0 HD1 TRP A 546 16.472 -7.159 5.121 1.00 0.00 H new ATOM 0 HE1 TRP A 546 18.326 -5.836 3.893 1.00 0.00 H new ATOM 0 HE3 TRP A 546 13.521 -3.634 2.890 1.00 0.00 H new ATOM 0 HZ2 TRP A 546 18.459 -3.581 2.211 1.00 0.00 H new ATOM 0 HZ3 TRP A 546 14.587 -1.914 1.487 1.00 0.00 H new ATOM 0 HH2 TRP A 546 17.024 -1.893 1.151 1.00 0.00 H new ATOM 568 N GLN A 547 11.428 -4.240 6.262 1.00 0.00 N ATOM 569 CA GLN A 547 10.003 -4.022 6.426 1.00 0.00 C ATOM 570 C GLN A 547 9.438 -3.132 5.332 1.00 0.00 C ATOM 571 O GLN A 547 10.163 -2.390 4.667 1.00 0.00 O ATOM 572 CB GLN A 547 9.725 -3.392 7.788 1.00 0.00 C ATOM 573 CG GLN A 547 10.431 -2.066 7.993 1.00 0.00 C ATOM 574 CD GLN A 547 10.093 -1.431 9.321 1.00 0.00 C ATOM 575 OE1 GLN A 547 10.743 -1.698 10.330 1.00 0.00 O ATOM 576 NE2 GLN A 547 9.087 -0.572 9.328 1.00 0.00 N ATOM 0 H GLN A 547 11.977 -3.386 6.164 1.00 0.00 H new ATOM 0 HA GLN A 547 9.513 -4.993 6.358 1.00 0.00 H new ATOM 0 HB2 GLN A 547 8.651 -3.244 7.899 1.00 0.00 H new ATOM 0 HB3 GLN A 547 10.034 -4.085 8.571 1.00 0.00 H new ATOM 0 HG2 GLN A 547 11.509 -2.218 7.930 1.00 0.00 H new ATOM 0 HG3 GLN A 547 10.158 -1.384 7.188 1.00 0.00 H new ATOM 0 HE21 GLN A 547 8.574 -0.380 8.467 1.00 0.00 H new ATOM 0 HE22 GLN A 547 8.824 -0.102 10.194 1.00 0.00 H new ATOM 585 N GLY A 548 8.134 -3.207 5.177 1.00 0.00 N ATOM 586 CA GLY A 548 7.433 -2.392 4.219 1.00 0.00 C ATOM 587 C GLY A 548 6.043 -2.081 4.707 1.00 0.00 C ATOM 588 O GLY A 548 5.459 -2.864 5.456 1.00 0.00 O ATOM 0 H GLY A 548 7.534 -3.835 5.712 1.00 0.00 H new ATOM 0 HA2 GLY A 548 7.981 -1.465 4.051 1.00 0.00 H new ATOM 0 HA3 GLY A 548 7.381 -2.910 3.261 1.00 0.00 H new ATOM 592 N GLU A 549 5.508 -0.951 4.301 1.00 0.00 N ATOM 593 CA GLU A 549 4.183 -0.556 4.736 1.00 0.00 C ATOM 594 C GLU A 549 3.400 0.030 3.580 1.00 0.00 C ATOM 595 O GLU A 549 3.960 0.649 2.677 1.00 0.00 O ATOM 596 CB GLU A 549 4.265 0.450 5.883 1.00 0.00 C ATOM 597 CG GLU A 549 4.843 1.782 5.464 1.00 0.00 C ATOM 598 CD GLU A 549 5.286 2.626 6.641 1.00 0.00 C ATOM 599 OE1 GLU A 549 6.394 2.394 7.162 1.00 0.00 O ATOM 600 OE2 GLU A 549 4.529 3.530 7.049 1.00 0.00 O ATOM 0 H GLU A 549 5.966 -0.291 3.673 1.00 0.00 H new ATOM 0 HA GLU A 549 3.665 -1.445 5.096 1.00 0.00 H new ATOM 0 HB2 GLU A 549 3.267 0.607 6.293 1.00 0.00 H new ATOM 0 HB3 GLU A 549 4.876 0.031 6.683 1.00 0.00 H new ATOM 0 HG2 GLU A 549 5.694 1.612 4.804 1.00 0.00 H new ATOM 0 HG3 GLU A 549 4.098 2.331 4.889 1.00 0.00 H new ATOM 607 N THR A 550 2.112 -0.181 3.622 1.00 0.00 N ATOM 608 CA THR A 550 1.236 0.276 2.566 1.00 0.00 C ATOM 609 C THR A 550 0.398 1.458 3.030 1.00 0.00 C ATOM 610 O THR A 550 -0.239 1.410 4.082 1.00 0.00 O ATOM 611 CB THR A 550 0.312 -0.850 2.092 1.00 0.00 C ATOM 612 OG1 THR A 550 1.080 -1.908 1.503 1.00 0.00 O ATOM 613 CG2 THR A 550 -0.702 -0.324 1.096 1.00 0.00 C ATOM 0 H THR A 550 1.639 -0.670 4.381 1.00 0.00 H new ATOM 0 HA THR A 550 1.865 0.591 1.733 1.00 0.00 H new ATOM 0 HB THR A 550 -0.223 -1.242 2.957 1.00 0.00 H new ATOM 0 HG1 THR A 550 1.055 -2.695 2.087 1.00 0.00 H new ATOM 0 HG21 THR A 550 -1.349 -1.139 0.771 1.00 0.00 H new ATOM 0 HG22 THR A 550 -1.305 0.453 1.566 1.00 0.00 H new ATOM 0 HG23 THR A 550 -0.182 0.093 0.233 1.00 0.00 H new ATOM 621 N TRP A 551 0.460 2.534 2.275 1.00 0.00 N ATOM 622 CA TRP A 551 -0.309 3.719 2.583 1.00 0.00 C ATOM 623 C TRP A 551 -1.427 3.908 1.558 1.00 0.00 C ATOM 624 O TRP A 551 -1.293 3.553 0.385 1.00 0.00 O ATOM 625 CB TRP A 551 0.582 4.960 2.619 1.00 0.00 C ATOM 626 CG TRP A 551 1.306 5.133 3.917 1.00 0.00 C ATOM 627 CD1 TRP A 551 2.141 4.238 4.516 1.00 0.00 C ATOM 628 CD2 TRP A 551 1.258 6.277 4.776 1.00 0.00 C ATOM 629 NE1 TRP A 551 2.608 4.751 5.701 1.00 0.00 N ATOM 630 CE2 TRP A 551 2.085 6.004 5.880 1.00 0.00 C ATOM 631 CE3 TRP A 551 0.597 7.507 4.718 1.00 0.00 C ATOM 632 CZ2 TRP A 551 2.266 6.913 6.920 1.00 0.00 C ATOM 633 CZ3 TRP A 551 0.777 8.409 5.750 1.00 0.00 C ATOM 634 CH2 TRP A 551 1.607 8.108 6.837 1.00 0.00 C ATOM 0 H TRP A 551 1.039 2.612 1.439 1.00 0.00 H new ATOM 0 HA TRP A 551 -0.750 3.586 3.571 1.00 0.00 H new ATOM 0 HB2 TRP A 551 1.310 4.899 1.810 1.00 0.00 H new ATOM 0 HB3 TRP A 551 -0.029 5.843 2.432 1.00 0.00 H new ATOM 0 HD1 TRP A 551 2.398 3.268 4.117 1.00 0.00 H new ATOM 0 HE1 TRP A 551 3.242 4.276 6.344 1.00 0.00 H new ATOM 0 HE3 TRP A 551 -0.043 7.748 3.882 1.00 0.00 H new ATOM 0 HZ2 TRP A 551 2.903 6.682 7.761 1.00 0.00 H new ATOM 0 HZ3 TRP A 551 0.269 9.362 5.717 1.00 0.00 H new ATOM 0 HH2 TRP A 551 1.729 8.835 7.626 1.00 0.00 H new ATOM 645 N TYR A 552 -2.517 4.472 2.034 1.00 0.00 N ATOM 646 CA TYR A 552 -3.667 4.766 1.189 1.00 0.00 C ATOM 647 C TYR A 552 -4.107 6.201 1.378 1.00 0.00 C ATOM 648 O TYR A 552 -3.925 6.783 2.447 1.00 0.00 O ATOM 649 CB TYR A 552 -4.840 3.832 1.506 1.00 0.00 C ATOM 650 CG TYR A 552 -4.871 2.543 0.707 1.00 0.00 C ATOM 651 CD1 TYR A 552 -4.170 1.420 1.123 1.00 0.00 C ATOM 652 CD2 TYR A 552 -5.630 2.445 -0.453 1.00 0.00 C ATOM 653 CE1 TYR A 552 -4.222 0.241 0.409 1.00 0.00 C ATOM 654 CE2 TYR A 552 -5.690 1.266 -1.170 1.00 0.00 C ATOM 655 CZ TYR A 552 -4.986 0.168 -0.734 1.00 0.00 C ATOM 656 OH TYR A 552 -5.037 -1.008 -1.444 1.00 0.00 O ATOM 0 H TYR A 552 -2.636 4.740 3.011 1.00 0.00 H new ATOM 0 HA TYR A 552 -3.364 4.610 0.154 1.00 0.00 H new ATOM 0 HB2 TYR A 552 -4.809 3.583 2.567 1.00 0.00 H new ATOM 0 HB3 TYR A 552 -5.771 4.372 1.332 1.00 0.00 H new ATOM 0 HD1 TYR A 552 -3.573 1.470 2.022 1.00 0.00 H new ATOM 0 HD2 TYR A 552 -6.183 3.306 -0.800 1.00 0.00 H new ATOM 0 HE1 TYR A 552 -3.666 -0.621 0.745 1.00 0.00 H new ATOM 0 HE2 TYR A 552 -6.287 1.207 -2.068 1.00 0.00 H new ATOM 0 HH TYR A 552 -5.620 -0.895 -2.223 1.00 0.00 H new ATOM 666 N TYR A 553 -4.681 6.784 0.343 1.00 0.00 N ATOM 667 CA TYR A 553 -5.143 8.154 0.406 1.00 0.00 C ATOM 668 C TYR A 553 -6.532 8.252 -0.196 1.00 0.00 C ATOM 669 O TYR A 553 -6.785 7.712 -1.277 1.00 0.00 O ATOM 670 CB TYR A 553 -4.173 9.068 -0.355 1.00 0.00 C ATOM 671 CG TYR A 553 -2.720 8.810 -0.020 1.00 0.00 C ATOM 672 CD1 TYR A 553 -1.996 7.839 -0.703 1.00 0.00 C ATOM 673 CD2 TYR A 553 -2.080 9.515 0.990 1.00 0.00 C ATOM 674 CE1 TYR A 553 -0.679 7.582 -0.391 1.00 0.00 C ATOM 675 CE2 TYR A 553 -0.761 9.262 1.309 1.00 0.00 C ATOM 676 CZ TYR A 553 -0.067 8.294 0.616 1.00 0.00 C ATOM 677 OH TYR A 553 1.247 8.038 0.927 1.00 0.00 O ATOM 0 H TYR A 553 -4.838 6.326 -0.555 1.00 0.00 H new ATOM 0 HA TYR A 553 -5.183 8.473 1.448 1.00 0.00 H new ATOM 0 HB2 TYR A 553 -4.321 8.932 -1.426 1.00 0.00 H new ATOM 0 HB3 TYR A 553 -4.412 10.107 -0.130 1.00 0.00 H new ATOM 0 HD1 TYR A 553 -2.474 7.277 -1.491 1.00 0.00 H new ATOM 0 HD2 TYR A 553 -2.623 10.273 1.535 1.00 0.00 H new ATOM 0 HE1 TYR A 553 -0.130 6.826 -0.933 1.00 0.00 H new ATOM 0 HE2 TYR A 553 -0.276 9.819 2.097 1.00 0.00 H new ATOM 0 HH TYR A 553 1.811 8.233 0.150 1.00 0.00 H new ATOM 687 N GLY A 554 -7.432 8.909 0.521 1.00 0.00 N ATOM 688 CA GLY A 554 -8.765 9.128 0.010 1.00 0.00 C ATOM 689 C GLY A 554 -8.746 9.917 -1.278 1.00 0.00 C ATOM 690 O GLY A 554 -7.896 10.794 -1.455 1.00 0.00 O ATOM 0 H GLY A 554 -7.260 9.294 1.450 1.00 0.00 H new ATOM 0 HA2 GLY A 554 -9.253 8.168 -0.158 1.00 0.00 H new ATOM 0 HA3 GLY A 554 -9.357 9.660 0.754 1.00 0.00 H new ATOM 694 N PRO A 555 -9.659 9.607 -2.208 1.00 0.00 N ATOM 695 CA PRO A 555 -9.733 10.274 -3.507 1.00 0.00 C ATOM 696 C PRO A 555 -9.828 11.788 -3.375 1.00 0.00 C ATOM 697 O PRO A 555 -9.375 12.531 -4.245 1.00 0.00 O ATOM 698 CB PRO A 555 -10.996 9.696 -4.160 1.00 0.00 C ATOM 699 CG PRO A 555 -11.701 8.920 -3.096 1.00 0.00 C ATOM 700 CD PRO A 555 -10.669 8.555 -2.071 1.00 0.00 C ATOM 0 HA PRO A 555 -8.834 10.100 -4.099 1.00 0.00 H new ATOM 0 HB2 PRO A 555 -11.632 10.492 -4.547 1.00 0.00 H new ATOM 0 HB3 PRO A 555 -10.739 9.055 -5.003 1.00 0.00 H new ATOM 0 HG2 PRO A 555 -12.498 9.514 -2.648 1.00 0.00 H new ATOM 0 HG3 PRO A 555 -12.165 8.026 -3.513 1.00 0.00 H new ATOM 0 HD2 PRO A 555 -11.092 8.534 -1.067 1.00 0.00 H new ATOM 0 HD3 PRO A 555 -10.248 7.568 -2.260 1.00 0.00 H new ATOM 708 N CYS A 556 -10.415 12.231 -2.280 1.00 0.00 N ATOM 709 CA CYS A 556 -10.437 13.643 -1.935 1.00 0.00 C ATOM 710 C CYS A 556 -10.318 13.839 -0.423 1.00 0.00 C ATOM 711 O CYS A 556 -9.883 14.893 0.039 1.00 0.00 O ATOM 712 CB CYS A 556 -11.720 14.290 -2.457 1.00 0.00 C ATOM 713 SG CYS A 556 -13.218 13.348 -2.085 1.00 0.00 S ATOM 0 H CYS A 556 -10.888 11.628 -1.607 1.00 0.00 H new ATOM 0 HA CYS A 556 -9.580 14.125 -2.406 1.00 0.00 H new ATOM 0 HB2 CYS A 556 -11.813 15.287 -2.027 1.00 0.00 H new ATOM 0 HB3 CYS A 556 -11.639 14.414 -3.537 1.00 0.00 H new ATOM 0 HG CYS A 556 -14.253 13.973 -2.563 1.00 0.00 H new ATOM 719 N GLY A 557 -10.709 12.822 0.342 1.00 0.00 N ATOM 720 CA GLY A 557 -10.692 12.933 1.790 1.00 0.00 C ATOM 721 C GLY A 557 -9.317 12.735 2.407 1.00 0.00 C ATOM 722 O GLY A 557 -8.290 13.007 1.778 1.00 0.00 O ATOM 0 H GLY A 557 -11.037 11.925 -0.015 1.00 0.00 H new ATOM 0 HA2 GLY A 557 -11.069 13.916 2.074 1.00 0.00 H new ATOM 0 HA3 GLY A 557 -11.377 12.196 2.209 1.00 0.00 H new ATOM 726 N LYS A 558 -9.314 12.261 3.650 1.00 0.00 N ATOM 727 CA LYS A 558 -8.082 12.080 4.416 1.00 0.00 C ATOM 728 C LYS A 558 -7.289 10.873 3.909 1.00 0.00 C ATOM 729 O LYS A 558 -7.686 10.215 2.949 1.00 0.00 O ATOM 730 CB LYS A 558 -8.384 11.916 5.916 1.00 0.00 C ATOM 731 CG LYS A 558 -8.877 10.530 6.321 1.00 0.00 C ATOM 732 CD LYS A 558 -10.374 10.357 6.121 1.00 0.00 C ATOM 733 CE LYS A 558 -11.167 11.145 7.149 1.00 0.00 C ATOM 734 NZ LYS A 558 -12.629 10.955 6.980 1.00 0.00 N ATOM 0 H LYS A 558 -10.160 11.993 4.153 1.00 0.00 H new ATOM 0 HA LYS A 558 -7.477 12.976 4.277 1.00 0.00 H new ATOM 0 HB2 LYS A 558 -7.481 12.145 6.481 1.00 0.00 H new ATOM 0 HB3 LYS A 558 -9.135 12.652 6.204 1.00 0.00 H new ATOM 0 HG2 LYS A 558 -8.347 9.776 5.738 1.00 0.00 H new ATOM 0 HG3 LYS A 558 -8.632 10.354 7.368 1.00 0.00 H new ATOM 0 HD2 LYS A 558 -10.649 10.685 5.118 1.00 0.00 H new ATOM 0 HD3 LYS A 558 -10.632 9.300 6.193 1.00 0.00 H new ATOM 0 HE2 LYS A 558 -10.873 10.834 8.151 1.00 0.00 H new ATOM 0 HE3 LYS A 558 -10.925 12.204 7.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 558 -13.136 11.508 7.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 558 -12.913 11.276 6.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 558 -12.863 9.948 7.089 1.00 0.00 H new ATOM 748 N ARG A 559 -6.170 10.582 4.562 1.00 0.00 N ATOM 749 CA ARG A 559 -5.354 9.442 4.178 1.00 0.00 C ATOM 750 C ARG A 559 -5.275 8.434 5.316 1.00 0.00 C ATOM 751 O ARG A 559 -5.164 8.801 6.486 1.00 0.00 O ATOM 752 CB ARG A 559 -3.943 9.864 3.740 1.00 0.00 C ATOM 753 CG ARG A 559 -3.043 10.378 4.857 1.00 0.00 C ATOM 754 CD ARG A 559 -3.319 11.838 5.183 1.00 0.00 C ATOM 755 NE ARG A 559 -3.093 12.706 4.029 1.00 0.00 N ATOM 756 CZ ARG A 559 -3.754 13.843 3.806 1.00 0.00 C ATOM 757 NH1 ARG A 559 -4.674 14.264 4.667 1.00 0.00 N ATOM 758 NH2 ARG A 559 -3.487 14.563 2.724 1.00 0.00 N ATOM 0 H ARG A 559 -5.811 11.116 5.353 1.00 0.00 H new ATOM 0 HA ARG A 559 -5.837 8.974 3.320 1.00 0.00 H new ATOM 0 HB2 ARG A 559 -3.457 9.011 3.267 1.00 0.00 H new ATOM 0 HB3 ARG A 559 -4.033 10.641 2.981 1.00 0.00 H new ATOM 0 HG2 ARG A 559 -3.192 9.772 5.751 1.00 0.00 H new ATOM 0 HG3 ARG A 559 -1.999 10.263 4.564 1.00 0.00 H new ATOM 0 HD2 ARG A 559 -4.349 11.946 5.522 1.00 0.00 H new ATOM 0 HD3 ARG A 559 -2.678 12.154 6.006 1.00 0.00 H new ATOM 0 HE ARG A 559 -2.385 12.424 3.351 1.00 0.00 H new ATOM 0 HH11 ARG A 559 -4.878 13.717 5.503 1.00 0.00 H new ATOM 0 HH12 ARG A 559 -5.176 15.134 4.492 1.00 0.00 H new ATOM 0 HH21 ARG A 559 -2.777 14.247 2.064 1.00 0.00 H new ATOM 0 HH22 ARG A 559 -3.992 15.433 2.553 1.00 0.00 H new ATOM 772 N MET A 560 -5.358 7.170 4.954 1.00 0.00 N ATOM 773 CA MET A 560 -5.327 6.093 5.927 1.00 0.00 C ATOM 774 C MET A 560 -4.250 5.083 5.571 1.00 0.00 C ATOM 775 O MET A 560 -3.975 4.845 4.401 1.00 0.00 O ATOM 776 CB MET A 560 -6.687 5.387 6.019 1.00 0.00 C ATOM 777 CG MET A 560 -7.846 6.292 6.429 1.00 0.00 C ATOM 778 SD MET A 560 -8.414 7.370 5.098 1.00 0.00 S ATOM 779 CE MET A 560 -8.755 6.171 3.814 1.00 0.00 C ATOM 0 H MET A 560 -5.448 6.860 3.986 1.00 0.00 H new ATOM 0 HA MET A 560 -5.099 6.533 6.898 1.00 0.00 H new ATOM 0 HB2 MET A 560 -6.916 4.941 5.051 1.00 0.00 H new ATOM 0 HB3 MET A 560 -6.610 4.570 6.736 1.00 0.00 H new ATOM 0 HG2 MET A 560 -8.678 5.675 6.767 1.00 0.00 H new ATOM 0 HG3 MET A 560 -7.538 6.904 7.277 1.00 0.00 H new ATOM 0 HE1 MET A 560 -9.484 6.583 3.116 1.00 0.00 H new ATOM 0 HE2 MET A 560 -7.834 5.937 3.281 1.00 0.00 H new ATOM 0 HE3 MET A 560 -9.156 5.262 4.262 1.00 0.00 H new ATOM 789 N LYS A 561 -3.649 4.480 6.579 1.00 0.00 N ATOM 790 CA LYS A 561 -2.666 3.439 6.352 1.00 0.00 C ATOM 791 C LYS A 561 -2.937 2.267 7.286 1.00 0.00 C ATOM 792 O LYS A 561 -2.150 1.325 7.387 1.00 0.00 O ATOM 793 CB LYS A 561 -1.237 3.971 6.509 1.00 0.00 C ATOM 794 CG LYS A 561 -0.932 4.645 7.844 1.00 0.00 C ATOM 795 CD LYS A 561 -0.534 3.647 8.921 1.00 0.00 C ATOM 796 CE LYS A 561 0.822 3.014 8.639 1.00 0.00 C ATOM 797 NZ LYS A 561 1.235 2.080 9.721 1.00 0.00 N ATOM 0 H LYS A 561 -3.824 4.693 7.561 1.00 0.00 H new ATOM 0 HA LYS A 561 -2.756 3.090 5.323 1.00 0.00 H new ATOM 0 HB2 LYS A 561 -0.542 3.142 6.373 1.00 0.00 H new ATOM 0 HB3 LYS A 561 -1.043 4.685 5.708 1.00 0.00 H new ATOM 0 HG2 LYS A 561 -0.128 5.368 7.707 1.00 0.00 H new ATOM 0 HG3 LYS A 561 -1.808 5.202 8.175 1.00 0.00 H new ATOM 0 HD2 LYS A 561 -0.506 4.149 9.888 1.00 0.00 H new ATOM 0 HD3 LYS A 561 -1.291 2.866 8.989 1.00 0.00 H new ATOM 0 HE2 LYS A 561 0.782 2.477 7.692 1.00 0.00 H new ATOM 0 HE3 LYS A 561 1.572 3.797 8.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 561 1.684 1.241 9.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 561 1.911 2.556 10.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 561 0.399 1.789 10.267 1.00 0.00 H new ATOM 811 N GLN A 562 -4.074 2.339 7.960 1.00 0.00 N ATOM 812 CA GLN A 562 -4.531 1.266 8.819 1.00 0.00 C ATOM 813 C GLN A 562 -5.866 0.746 8.314 1.00 0.00 C ATOM 814 O GLN A 562 -6.695 1.516 7.827 1.00 0.00 O ATOM 815 CB GLN A 562 -4.692 1.762 10.254 1.00 0.00 C ATOM 816 CG GLN A 562 -3.411 2.264 10.894 1.00 0.00 C ATOM 817 CD GLN A 562 -2.399 1.164 11.165 1.00 0.00 C ATOM 818 OE1 GLN A 562 -1.190 1.390 11.115 1.00 0.00 O ATOM 819 NE2 GLN A 562 -2.877 -0.030 11.477 1.00 0.00 N ATOM 0 H GLN A 562 -4.702 3.142 7.925 1.00 0.00 H new ATOM 0 HA GLN A 562 -3.791 0.466 8.803 1.00 0.00 H new ATOM 0 HB2 GLN A 562 -5.429 2.565 10.267 1.00 0.00 H new ATOM 0 HB3 GLN A 562 -5.094 0.952 10.862 1.00 0.00 H new ATOM 0 HG2 GLN A 562 -2.958 3.012 10.243 1.00 0.00 H new ATOM 0 HG3 GLN A 562 -3.654 2.763 11.832 1.00 0.00 H new ATOM 0 HE21 GLN A 562 -3.885 -0.183 11.509 1.00 0.00 H new ATOM 0 HE22 GLN A 562 -2.238 -0.797 11.685 1.00 0.00 H new ATOM 828 N PHE A 563 -6.072 -0.550 8.450 1.00 0.00 N ATOM 829 CA PHE A 563 -7.321 -1.185 8.054 1.00 0.00 C ATOM 830 C PHE A 563 -8.518 -0.593 8.808 1.00 0.00 C ATOM 831 O PHE A 563 -9.504 -0.206 8.182 1.00 0.00 O ATOM 832 CB PHE A 563 -7.234 -2.693 8.287 1.00 0.00 C ATOM 833 CG PHE A 563 -8.408 -3.462 7.756 1.00 0.00 C ATOM 834 CD1 PHE A 563 -8.823 -3.299 6.444 1.00 0.00 C ATOM 835 CD2 PHE A 563 -9.084 -4.362 8.561 1.00 0.00 C ATOM 836 CE1 PHE A 563 -9.888 -4.019 5.945 1.00 0.00 C ATOM 837 CE2 PHE A 563 -10.155 -5.083 8.069 1.00 0.00 C ATOM 838 CZ PHE A 563 -10.557 -4.912 6.758 1.00 0.00 C ATOM 0 H PHE A 563 -5.382 -1.194 8.837 1.00 0.00 H new ATOM 0 HA PHE A 563 -7.477 -0.994 6.992 1.00 0.00 H new ATOM 0 HB2 PHE A 563 -6.324 -3.070 7.820 1.00 0.00 H new ATOM 0 HB3 PHE A 563 -7.144 -2.880 9.357 1.00 0.00 H new ATOM 0 HD1 PHE A 563 -8.306 -2.599 5.804 1.00 0.00 H new ATOM 0 HD2 PHE A 563 -8.771 -4.502 9.585 1.00 0.00 H new ATOM 0 HE1 PHE A 563 -10.198 -3.884 4.919 1.00 0.00 H new ATOM 0 HE2 PHE A 563 -10.677 -5.779 8.708 1.00 0.00 H new ATOM 0 HZ PHE A 563 -11.393 -5.476 6.370 1.00 0.00 H new ATOM 848 N PRO A 564 -8.452 -0.484 10.158 1.00 0.00 N ATOM 849 CA PRO A 564 -9.557 0.066 10.955 1.00 0.00 C ATOM 850 C PRO A 564 -9.841 1.529 10.627 1.00 0.00 C ATOM 851 O PRO A 564 -10.892 2.061 10.981 1.00 0.00 O ATOM 852 CB PRO A 564 -9.073 -0.073 12.400 1.00 0.00 C ATOM 853 CG PRO A 564 -7.592 -0.158 12.295 1.00 0.00 C ATOM 854 CD PRO A 564 -7.321 -0.885 11.016 1.00 0.00 C ATOM 0 HA PRO A 564 -10.492 -0.457 10.757 1.00 0.00 H new ATOM 0 HB2 PRO A 564 -9.379 0.781 13.004 1.00 0.00 H new ATOM 0 HB3 PRO A 564 -9.488 -0.963 12.873 1.00 0.00 H new ATOM 0 HG2 PRO A 564 -7.142 0.835 12.285 1.00 0.00 H new ATOM 0 HG3 PRO A 564 -7.169 -0.691 13.146 1.00 0.00 H new ATOM 0 HD2 PRO A 564 -6.364 -0.595 10.583 1.00 0.00 H new ATOM 0 HD3 PRO A 564 -7.290 -1.964 11.164 1.00 0.00 H new ATOM 862 N GLU A 565 -8.915 2.165 9.923 1.00 0.00 N ATOM 863 CA GLU A 565 -9.085 3.541 9.479 1.00 0.00 C ATOM 864 C GLU A 565 -9.763 3.591 8.108 1.00 0.00 C ATOM 865 O GLU A 565 -10.386 4.585 7.740 1.00 0.00 O ATOM 866 CB GLU A 565 -7.730 4.244 9.449 1.00 0.00 C ATOM 867 CG GLU A 565 -7.007 4.218 10.791 1.00 0.00 C ATOM 868 CD GLU A 565 -7.698 5.028 11.867 1.00 0.00 C ATOM 869 OE1 GLU A 565 -7.466 6.253 11.935 1.00 0.00 O ATOM 870 OE2 GLU A 565 -8.455 4.439 12.665 1.00 0.00 O ATOM 0 H GLU A 565 -8.029 1.744 9.645 1.00 0.00 H new ATOM 0 HA GLU A 565 -9.733 4.063 10.184 1.00 0.00 H new ATOM 0 HB2 GLU A 565 -7.100 3.771 8.696 1.00 0.00 H new ATOM 0 HB3 GLU A 565 -7.873 5.280 9.141 1.00 0.00 H new ATOM 0 HG2 GLU A 565 -6.918 3.185 11.126 1.00 0.00 H new ATOM 0 HG3 GLU A 565 -5.994 4.598 10.656 1.00 0.00 H new ATOM 877 N VAL A 566 -9.614 2.525 7.344 1.00 0.00 N ATOM 878 CA VAL A 566 -10.276 2.432 6.051 1.00 0.00 C ATOM 879 C VAL A 566 -11.754 2.079 6.230 1.00 0.00 C ATOM 880 O VAL A 566 -12.628 2.695 5.618 1.00 0.00 O ATOM 881 CB VAL A 566 -9.583 1.411 5.121 1.00 0.00 C ATOM 882 CG1 VAL A 566 -10.452 1.104 3.909 1.00 0.00 C ATOM 883 CG2 VAL A 566 -8.223 1.943 4.677 1.00 0.00 C ATOM 0 H VAL A 566 -9.045 1.715 7.592 1.00 0.00 H new ATOM 0 HA VAL A 566 -10.202 3.410 5.574 1.00 0.00 H new ATOM 0 HB VAL A 566 -9.436 0.485 5.677 1.00 0.00 H new ATOM 0 HG11 VAL A 566 -9.943 0.383 3.269 1.00 0.00 H new ATOM 0 HG12 VAL A 566 -11.403 0.687 4.240 1.00 0.00 H new ATOM 0 HG13 VAL A 566 -10.633 2.022 3.349 1.00 0.00 H new ATOM 0 HG21 VAL A 566 -7.744 1.215 4.022 1.00 0.00 H new ATOM 0 HG22 VAL A 566 -8.357 2.882 4.140 1.00 0.00 H new ATOM 0 HG23 VAL A 566 -7.595 2.112 5.552 1.00 0.00 H new ATOM 893 N ILE A 567 -12.024 1.106 7.100 1.00 0.00 N ATOM 894 CA ILE A 567 -13.400 0.659 7.371 1.00 0.00 C ATOM 895 C ILE A 567 -14.284 1.815 7.838 1.00 0.00 C ATOM 896 O ILE A 567 -15.478 1.860 7.544 1.00 0.00 O ATOM 897 CB ILE A 567 -13.446 -0.455 8.438 1.00 0.00 C ATOM 898 CG1 ILE A 567 -12.319 -1.452 8.211 1.00 0.00 C ATOM 899 CG2 ILE A 567 -14.787 -1.172 8.397 1.00 0.00 C ATOM 900 CD1 ILE A 567 -12.304 -2.026 6.815 1.00 0.00 C ATOM 0 H ILE A 567 -11.310 0.608 7.632 1.00 0.00 H new ATOM 0 HA ILE A 567 -13.779 0.266 6.427 1.00 0.00 H new ATOM 0 HB ILE A 567 -13.320 0.003 9.419 1.00 0.00 H new ATOM 0 HG12 ILE A 567 -11.365 -0.962 8.406 1.00 0.00 H new ATOM 0 HG13 ILE A 567 -12.412 -2.266 8.930 1.00 0.00 H new ATOM 0 HG21 ILE A 567 -14.804 -1.955 9.155 1.00 0.00 H new ATOM 0 HG22 ILE A 567 -15.587 -0.459 8.594 1.00 0.00 H new ATOM 0 HG23 ILE A 567 -14.932 -1.617 7.413 1.00 0.00 H new ATOM 0 HD11 ILE A 567 -11.477 -2.729 6.720 1.00 0.00 H new ATOM 0 HD12 ILE A 567 -13.244 -2.544 6.624 1.00 0.00 H new ATOM 0 HD13 ILE A 567 -12.180 -1.220 6.092 1.00 0.00 H new ATOM 912 N LYS A 568 -13.679 2.761 8.540 1.00 0.00 N ATOM 913 CA LYS A 568 -14.433 3.909 9.024 1.00 0.00 C ATOM 914 C LYS A 568 -14.761 4.866 7.887 1.00 0.00 C ATOM 915 O LYS A 568 -15.856 5.404 7.832 1.00 0.00 O ATOM 916 CB LYS A 568 -13.708 4.629 10.161 1.00 0.00 C ATOM 917 CG LYS A 568 -12.282 4.999 9.837 1.00 0.00 C ATOM 918 CD LYS A 568 -11.597 5.757 10.969 1.00 0.00 C ATOM 919 CE LYS A 568 -11.441 4.911 12.227 1.00 0.00 C ATOM 920 NZ LYS A 568 -12.658 4.920 13.085 1.00 0.00 N ATOM 0 H LYS A 568 -12.689 2.760 8.784 1.00 0.00 H new ATOM 0 HA LYS A 568 -15.372 3.532 9.430 1.00 0.00 H new ATOM 0 HB2 LYS A 568 -14.259 5.534 10.415 1.00 0.00 H new ATOM 0 HB3 LYS A 568 -13.716 3.992 11.045 1.00 0.00 H new ATOM 0 HG2 LYS A 568 -11.717 4.093 9.618 1.00 0.00 H new ATOM 0 HG3 LYS A 568 -12.266 5.610 8.935 1.00 0.00 H new ATOM 0 HD2 LYS A 568 -10.615 6.091 10.636 1.00 0.00 H new ATOM 0 HD3 LYS A 568 -12.175 6.651 11.205 1.00 0.00 H new ATOM 0 HE2 LYS A 568 -11.211 3.884 11.942 1.00 0.00 H new ATOM 0 HE3 LYS A 568 -10.593 5.280 12.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 568 -12.394 5.172 14.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 568 -13.336 5.618 12.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 568 -13.095 3.976 13.078 1.00 0.00 H new ATOM 934 N TYR A 569 -13.825 5.047 6.959 1.00 0.00 N ATOM 935 CA TYR A 569 -14.014 5.958 5.833 1.00 0.00 C ATOM 936 C TYR A 569 -15.218 5.511 5.019 1.00 0.00 C ATOM 937 O TYR A 569 -16.056 6.321 4.618 1.00 0.00 O ATOM 938 CB TYR A 569 -12.751 5.965 4.957 1.00 0.00 C ATOM 939 CG TYR A 569 -12.741 6.985 3.828 1.00 0.00 C ATOM 940 CD1 TYR A 569 -13.542 6.831 2.700 1.00 0.00 C ATOM 941 CD2 TYR A 569 -11.899 8.087 3.881 1.00 0.00 C ATOM 942 CE1 TYR A 569 -13.503 7.747 1.664 1.00 0.00 C ATOM 943 CE2 TYR A 569 -11.857 9.010 2.852 1.00 0.00 C ATOM 944 CZ TYR A 569 -12.659 8.835 1.747 1.00 0.00 C ATOM 945 OH TYR A 569 -12.610 9.748 0.715 1.00 0.00 O ATOM 0 H TYR A 569 -12.923 4.572 6.965 1.00 0.00 H new ATOM 0 HA TYR A 569 -14.190 6.968 6.203 1.00 0.00 H new ATOM 0 HB2 TYR A 569 -11.888 6.149 5.597 1.00 0.00 H new ATOM 0 HB3 TYR A 569 -12.623 4.972 4.527 1.00 0.00 H new ATOM 0 HD1 TYR A 569 -14.206 5.982 2.632 1.00 0.00 H new ATOM 0 HD2 TYR A 569 -11.264 8.227 4.743 1.00 0.00 H new ATOM 0 HE1 TYR A 569 -14.130 7.611 0.795 1.00 0.00 H new ATOM 0 HE2 TYR A 569 -11.198 9.864 2.915 1.00 0.00 H new ATOM 0 HH TYR A 569 -12.155 10.561 1.019 1.00 0.00 H new ATOM 955 N LEU A 570 -15.300 4.208 4.813 1.00 0.00 N ATOM 956 CA LEU A 570 -16.359 3.612 4.019 1.00 0.00 C ATOM 957 C LEU A 570 -17.698 3.743 4.735 1.00 0.00 C ATOM 958 O LEU A 570 -18.725 4.002 4.116 1.00 0.00 O ATOM 959 CB LEU A 570 -16.038 2.139 3.759 1.00 0.00 C ATOM 960 CG LEU A 570 -14.600 1.865 3.310 1.00 0.00 C ATOM 961 CD1 LEU A 570 -14.392 0.386 3.048 1.00 0.00 C ATOM 962 CD2 LEU A 570 -14.255 2.684 2.075 1.00 0.00 C ATOM 0 H LEU A 570 -14.634 3.534 5.191 1.00 0.00 H new ATOM 0 HA LEU A 570 -16.427 4.137 3.066 1.00 0.00 H new ATOM 0 HB2 LEU A 570 -16.234 1.573 4.670 1.00 0.00 H new ATOM 0 HB3 LEU A 570 -16.720 1.762 2.997 1.00 0.00 H new ATOM 0 HG LEU A 570 -13.930 2.166 4.115 1.00 0.00 H new ATOM 0 HD11 LEU A 570 -13.364 0.214 2.730 1.00 0.00 H new ATOM 0 HD12 LEU A 570 -14.589 -0.176 3.961 1.00 0.00 H new ATOM 0 HD13 LEU A 570 -15.074 0.056 2.264 1.00 0.00 H new ATOM 0 HD21 LEU A 570 -13.229 2.473 1.774 1.00 0.00 H new ATOM 0 HD22 LEU A 570 -14.933 2.421 1.263 1.00 0.00 H new ATOM 0 HD23 LEU A 570 -14.356 3.745 2.302 1.00 0.00 H new ATOM 974 N SER A 571 -17.668 3.562 6.047 1.00 0.00 N ATOM 975 CA SER A 571 -18.867 3.639 6.868 1.00 0.00 C ATOM 976 C SER A 571 -19.358 5.081 7.028 1.00 0.00 C ATOM 977 O SER A 571 -20.561 5.337 7.038 1.00 0.00 O ATOM 978 CB SER A 571 -18.578 3.029 8.235 1.00 0.00 C ATOM 979 OG SER A 571 -18.161 1.678 8.108 1.00 0.00 O ATOM 0 H SER A 571 -16.816 3.359 6.570 1.00 0.00 H new ATOM 0 HA SER A 571 -19.659 3.081 6.369 1.00 0.00 H new ATOM 0 HB2 SER A 571 -17.804 3.607 8.739 1.00 0.00 H new ATOM 0 HB3 SER A 571 -19.471 3.081 8.857 1.00 0.00 H new ATOM 0 HG SER A 571 -17.219 1.650 7.840 1.00 0.00 H new ATOM 985 N ARG A 572 -18.421 6.013 7.158 1.00 0.00 N ATOM 986 CA ARG A 572 -18.755 7.419 7.375 1.00 0.00 C ATOM 987 C ARG A 572 -19.233 8.073 6.087 1.00 0.00 C ATOM 988 O ARG A 572 -19.970 9.058 6.113 1.00 0.00 O ATOM 989 CB ARG A 572 -17.538 8.170 7.923 1.00 0.00 C ATOM 990 CG ARG A 572 -17.061 7.631 9.261 1.00 0.00 C ATOM 991 CD ARG A 572 -15.721 8.217 9.672 1.00 0.00 C ATOM 992 NE ARG A 572 -15.818 9.629 10.031 1.00 0.00 N ATOM 993 CZ ARG A 572 -14.777 10.377 10.386 1.00 0.00 C ATOM 994 NH1 ARG A 572 -13.553 9.861 10.388 1.00 0.00 N ATOM 995 NH2 ARG A 572 -14.957 11.644 10.734 1.00 0.00 N ATOM 0 H ARG A 572 -17.420 5.821 7.117 1.00 0.00 H new ATOM 0 HA ARG A 572 -19.565 7.467 8.103 1.00 0.00 H new ATOM 0 HB2 ARG A 572 -16.724 8.107 7.201 1.00 0.00 H new ATOM 0 HB3 ARG A 572 -17.788 9.226 8.031 1.00 0.00 H new ATOM 0 HG2 ARG A 572 -17.804 7.855 10.027 1.00 0.00 H new ATOM 0 HG3 ARG A 572 -16.979 6.546 9.205 1.00 0.00 H new ATOM 0 HD2 ARG A 572 -15.326 7.656 10.519 1.00 0.00 H new ATOM 0 HD3 ARG A 572 -15.010 8.101 8.854 1.00 0.00 H new ATOM 0 HE ARG A 572 -16.739 10.068 10.008 1.00 0.00 H new ATOM 0 HH11 ARG A 572 -13.409 8.888 10.117 1.00 0.00 H new ATOM 0 HH12 ARG A 572 -12.757 10.437 10.661 1.00 0.00 H new ATOM 0 HH21 ARG A 572 -15.895 12.046 10.730 1.00 0.00 H new ATOM 0 HH22 ARG A 572 -14.158 12.217 11.006 1.00 0.00 H new ATOM 1009 N ASN A 573 -18.815 7.518 4.964 1.00 0.00 N ATOM 1010 CA ASN A 573 -19.184 8.053 3.661 1.00 0.00 C ATOM 1011 C ASN A 573 -19.997 7.026 2.885 1.00 0.00 C ATOM 1012 O ASN A 573 -20.444 6.029 3.449 1.00 0.00 O ATOM 1013 CB ASN A 573 -17.927 8.438 2.875 1.00 0.00 C ATOM 1014 CG ASN A 573 -17.147 9.563 3.528 1.00 0.00 C ATOM 1015 OD1 ASN A 573 -17.355 10.740 3.225 1.00 0.00 O ATOM 1016 ND2 ASN A 573 -16.251 9.210 4.440 1.00 0.00 N ATOM 0 H ASN A 573 -18.217 6.693 4.926 1.00 0.00 H new ATOM 0 HA ASN A 573 -19.793 8.945 3.805 1.00 0.00 H new ATOM 0 HB2 ASN A 573 -17.283 7.564 2.778 1.00 0.00 H new ATOM 0 HB3 ASN A 573 -18.212 8.737 1.866 1.00 0.00 H new ATOM 0 HD21 ASN A 573 -15.703 9.924 4.920 1.00 0.00 H new ATOM 0 HD22 ASN A 573 -16.110 8.224 4.661 1.00 0.00 H new ATOM 1023 N VAL A 574 -20.208 7.276 1.602 1.00 0.00 N ATOM 1024 CA VAL A 574 -20.882 6.315 0.744 1.00 0.00 C ATOM 1025 C VAL A 574 -19.952 5.892 -0.386 1.00 0.00 C ATOM 1026 O VAL A 574 -19.543 6.717 -1.205 1.00 0.00 O ATOM 1027 CB VAL A 574 -22.182 6.898 0.143 1.00 0.00 C ATOM 1028 CG1 VAL A 574 -22.897 5.863 -0.713 1.00 0.00 C ATOM 1029 CG2 VAL A 574 -23.103 7.407 1.242 1.00 0.00 C ATOM 0 H VAL A 574 -19.922 8.135 1.133 1.00 0.00 H new ATOM 0 HA VAL A 574 -21.147 5.453 1.357 1.00 0.00 H new ATOM 0 HB VAL A 574 -21.909 7.739 -0.495 1.00 0.00 H new ATOM 0 HG11 VAL A 574 -23.808 6.298 -1.124 1.00 0.00 H new ATOM 0 HG12 VAL A 574 -22.244 5.551 -1.528 1.00 0.00 H new ATOM 0 HG13 VAL A 574 -23.152 4.998 -0.101 1.00 0.00 H new ATOM 0 HG21 VAL A 574 -24.011 7.813 0.797 1.00 0.00 H new ATOM 0 HG22 VAL A 574 -23.362 6.585 1.909 1.00 0.00 H new ATOM 0 HG23 VAL A 574 -22.596 8.188 1.808 1.00 0.00 H new ATOM 1039 N VAL A 575 -19.614 4.610 -0.419 1.00 0.00 N ATOM 1040 CA VAL A 575 -18.733 4.068 -1.444 1.00 0.00 C ATOM 1041 C VAL A 575 -19.253 2.711 -1.909 1.00 0.00 C ATOM 1042 O VAL A 575 -19.364 1.774 -1.115 1.00 0.00 O ATOM 1043 CB VAL A 575 -17.283 3.901 -0.930 1.00 0.00 C ATOM 1044 CG1 VAL A 575 -16.367 3.475 -2.060 1.00 0.00 C ATOM 1045 CG2 VAL A 575 -16.763 5.181 -0.296 1.00 0.00 C ATOM 0 H VAL A 575 -19.940 3.921 0.259 1.00 0.00 H new ATOM 0 HA VAL A 575 -18.723 4.776 -2.273 1.00 0.00 H new ATOM 0 HB VAL A 575 -17.294 3.125 -0.164 1.00 0.00 H new ATOM 0 HG11 VAL A 575 -15.351 3.362 -1.682 1.00 0.00 H new ATOM 0 HG12 VAL A 575 -16.710 2.524 -2.468 1.00 0.00 H new ATOM 0 HG13 VAL A 575 -16.380 4.232 -2.844 1.00 0.00 H new ATOM 0 HG21 VAL A 575 -15.742 5.025 0.053 1.00 0.00 H new ATOM 0 HG22 VAL A 575 -16.776 5.984 -1.033 1.00 0.00 H new ATOM 0 HG23 VAL A 575 -17.397 5.453 0.548 1.00 0.00 H new ATOM 1055 N HIS A 576 -19.579 2.608 -3.189 1.00 0.00 N ATOM 1056 CA HIS A 576 -20.180 1.391 -3.724 1.00 0.00 C ATOM 1057 C HIS A 576 -19.216 0.661 -4.664 1.00 0.00 C ATOM 1058 O HIS A 576 -19.195 -0.571 -4.712 1.00 0.00 O ATOM 1059 CB HIS A 576 -21.485 1.735 -4.454 1.00 0.00 C ATOM 1060 CG HIS A 576 -22.301 0.541 -4.854 1.00 0.00 C ATOM 1061 ND1 HIS A 576 -23.277 0.032 -4.032 1.00 0.00 N ATOM 1062 CD2 HIS A 576 -22.255 -0.192 -5.991 1.00 0.00 C ATOM 1063 CE1 HIS A 576 -23.799 -0.994 -4.681 1.00 0.00 C ATOM 1064 NE2 HIS A 576 -23.213 -1.168 -5.872 1.00 0.00 N ATOM 0 H HIS A 576 -19.439 3.349 -3.876 1.00 0.00 H new ATOM 0 HA HIS A 576 -20.400 0.722 -2.892 1.00 0.00 H new ATOM 0 HB2 HIS A 576 -22.090 2.375 -3.811 1.00 0.00 H new ATOM 0 HB3 HIS A 576 -21.247 2.313 -5.347 1.00 0.00 H new ATOM 0 HD2 HIS A 576 -21.592 -0.039 -6.830 1.00 0.00 H new ATOM 0 HE1 HIS A 576 -24.597 -1.613 -4.299 1.00 0.00 H new ATOM 0 HE2 HIS A 576 -23.436 -1.888 -6.559 1.00 0.00 H new ATOM 1072 N SER A 577 -18.401 1.422 -5.386 1.00 0.00 N ATOM 1073 CA SER A 577 -17.491 0.849 -6.371 1.00 0.00 C ATOM 1074 C SER A 577 -16.393 0.037 -5.696 1.00 0.00 C ATOM 1075 O SER A 577 -16.029 -1.042 -6.159 1.00 0.00 O ATOM 1076 CB SER A 577 -16.872 1.959 -7.219 1.00 0.00 C ATOM 1077 OG SER A 577 -17.874 2.717 -7.876 1.00 0.00 O ATOM 0 H SER A 577 -18.352 2.438 -5.308 1.00 0.00 H new ATOM 0 HA SER A 577 -18.063 0.180 -7.014 1.00 0.00 H new ATOM 0 HB2 SER A 577 -16.273 2.613 -6.586 1.00 0.00 H new ATOM 0 HB3 SER A 577 -16.198 1.524 -7.957 1.00 0.00 H new ATOM 0 HG SER A 577 -17.453 3.422 -8.411 1.00 0.00 H new ATOM 1083 N VAL A 578 -15.874 0.555 -4.597 1.00 0.00 N ATOM 1084 CA VAL A 578 -14.843 -0.151 -3.857 1.00 0.00 C ATOM 1085 C VAL A 578 -15.255 -0.424 -2.418 1.00 0.00 C ATOM 1086 O VAL A 578 -15.830 0.430 -1.743 1.00 0.00 O ATOM 1087 CB VAL A 578 -13.488 0.595 -3.904 1.00 0.00 C ATOM 1088 CG1 VAL A 578 -12.873 0.482 -5.288 1.00 0.00 C ATOM 1089 CG2 VAL A 578 -13.639 2.062 -3.529 1.00 0.00 C ATOM 0 H VAL A 578 -16.146 1.454 -4.200 1.00 0.00 H new ATOM 0 HA VAL A 578 -14.715 -1.114 -4.352 1.00 0.00 H new ATOM 0 HB VAL A 578 -12.831 0.125 -3.172 1.00 0.00 H new ATOM 0 HG11 VAL A 578 -11.920 1.011 -5.307 1.00 0.00 H new ATOM 0 HG12 VAL A 578 -12.710 -0.568 -5.529 1.00 0.00 H new ATOM 0 HG13 VAL A 578 -13.547 0.922 -6.023 1.00 0.00 H new ATOM 0 HG21 VAL A 578 -12.666 2.551 -3.574 1.00 0.00 H new ATOM 0 HG22 VAL A 578 -14.322 2.547 -4.227 1.00 0.00 H new ATOM 0 HG23 VAL A 578 -14.038 2.140 -2.518 1.00 0.00 H new ATOM 1099 N ARG A 579 -14.986 -1.641 -1.967 1.00 0.00 N ATOM 1100 CA ARG A 579 -15.259 -2.040 -0.598 1.00 0.00 C ATOM 1101 C ARG A 579 -13.926 -2.258 0.099 1.00 0.00 C ATOM 1102 O ARG A 579 -12.884 -2.164 -0.545 1.00 0.00 O ATOM 1103 CB ARG A 579 -16.092 -3.329 -0.547 1.00 0.00 C ATOM 1104 CG ARG A 579 -17.263 -3.369 -1.521 1.00 0.00 C ATOM 1105 CD ARG A 579 -18.235 -2.219 -1.304 1.00 0.00 C ATOM 1106 NE ARG A 579 -18.809 -2.213 0.044 1.00 0.00 N ATOM 1107 CZ ARG A 579 -20.107 -2.031 0.304 1.00 0.00 C ATOM 1108 NH1 ARG A 579 -20.982 -1.940 -0.692 1.00 0.00 N ATOM 1109 NH2 ARG A 579 -20.529 -1.961 1.563 1.00 0.00 N ATOM 0 H ARG A 579 -14.573 -2.377 -2.540 1.00 0.00 H new ATOM 0 HA ARG A 579 -15.835 -1.260 -0.101 1.00 0.00 H new ATOM 0 HB2 ARG A 579 -15.438 -4.177 -0.751 1.00 0.00 H new ATOM 0 HB3 ARG A 579 -16.474 -3.459 0.465 1.00 0.00 H new ATOM 0 HG2 ARG A 579 -16.884 -3.334 -2.542 1.00 0.00 H new ATOM 0 HG3 ARG A 579 -17.793 -4.315 -1.410 1.00 0.00 H new ATOM 0 HD2 ARG A 579 -17.720 -1.275 -1.480 1.00 0.00 H new ATOM 0 HD3 ARG A 579 -19.039 -2.285 -2.037 1.00 0.00 H new ATOM 0 HE ARG A 579 -18.179 -2.357 0.833 1.00 0.00 H new ATOM 0 HH11 ARG A 579 -20.664 -2.009 -1.659 1.00 0.00 H new ATOM 0 HH12 ARG A 579 -21.972 -1.801 -0.490 1.00 0.00 H new ATOM 0 HH21 ARG A 579 -19.862 -2.046 2.330 1.00 0.00 H new ATOM 0 HH22 ARG A 579 -21.520 -1.822 1.762 1.00 0.00 H new ATOM 1123 N ARG A 580 -13.946 -2.546 1.397 1.00 0.00 N ATOM 1124 CA ARG A 580 -12.712 -2.714 2.167 1.00 0.00 C ATOM 1125 C ARG A 580 -11.776 -3.752 1.545 1.00 0.00 C ATOM 1126 O ARG A 580 -10.563 -3.623 1.654 1.00 0.00 O ATOM 1127 CB ARG A 580 -12.997 -3.078 3.628 1.00 0.00 C ATOM 1128 CG ARG A 580 -13.763 -4.373 3.825 1.00 0.00 C ATOM 1129 CD ARG A 580 -15.257 -4.128 3.919 1.00 0.00 C ATOM 1130 NE ARG A 580 -15.994 -5.338 4.276 1.00 0.00 N ATOM 1131 CZ ARG A 580 -17.278 -5.344 4.634 1.00 0.00 C ATOM 1132 NH1 ARG A 580 -17.967 -4.208 4.673 1.00 0.00 N ATOM 1133 NH2 ARG A 580 -17.872 -6.485 4.954 1.00 0.00 N ATOM 0 H ARG A 580 -14.801 -2.668 1.940 1.00 0.00 H new ATOM 0 HA ARG A 580 -12.209 -1.747 2.142 1.00 0.00 H new ATOM 0 HB2 ARG A 580 -12.049 -3.149 4.161 1.00 0.00 H new ATOM 0 HB3 ARG A 580 -13.561 -2.266 4.086 1.00 0.00 H new ATOM 0 HG2 ARG A 580 -13.556 -5.049 2.995 1.00 0.00 H new ATOM 0 HG3 ARG A 580 -13.417 -4.867 4.733 1.00 0.00 H new ATOM 0 HD2 ARG A 580 -15.450 -3.354 4.662 1.00 0.00 H new ATOM 0 HD3 ARG A 580 -15.622 -3.751 2.964 1.00 0.00 H new ATOM 0 HE ARG A 580 -15.498 -6.229 4.250 1.00 0.00 H new ATOM 0 HH11 ARG A 580 -17.513 -3.328 4.428 1.00 0.00 H new ATOM 0 HH12 ARG A 580 -18.949 -4.217 4.947 1.00 0.00 H new ATOM 0 HH21 ARG A 580 -17.347 -7.359 4.926 1.00 0.00 H new ATOM 0 HH22 ARG A 580 -18.855 -6.489 5.228 1.00 0.00 H new ATOM 1147 N GLU A 581 -12.334 -4.777 0.893 1.00 0.00 N ATOM 1148 CA GLU A 581 -11.545 -5.811 0.219 1.00 0.00 C ATOM 1149 C GLU A 581 -10.637 -5.250 -0.875 1.00 0.00 C ATOM 1150 O GLU A 581 -9.590 -5.820 -1.171 1.00 0.00 O ATOM 1151 CB GLU A 581 -12.486 -6.848 -0.392 1.00 0.00 C ATOM 1152 CG GLU A 581 -13.381 -6.277 -1.482 1.00 0.00 C ATOM 1153 CD GLU A 581 -14.442 -7.250 -1.937 1.00 0.00 C ATOM 1154 OE1 GLU A 581 -15.508 -7.309 -1.294 1.00 0.00 O ATOM 1155 OE2 GLU A 581 -14.215 -7.963 -2.935 1.00 0.00 O ATOM 0 H GLU A 581 -13.342 -4.912 0.818 1.00 0.00 H new ATOM 0 HA GLU A 581 -10.901 -6.264 0.973 1.00 0.00 H new ATOM 0 HB2 GLU A 581 -11.896 -7.665 -0.807 1.00 0.00 H new ATOM 0 HB3 GLU A 581 -13.109 -7.272 0.395 1.00 0.00 H new ATOM 0 HG2 GLU A 581 -13.860 -5.370 -1.114 1.00 0.00 H new ATOM 0 HG3 GLU A 581 -12.768 -5.990 -2.336 1.00 0.00 H new ATOM 1162 N HIS A 582 -11.048 -4.146 -1.480 1.00 0.00 N ATOM 1163 CA HIS A 582 -10.299 -3.536 -2.574 1.00 0.00 C ATOM 1164 C HIS A 582 -9.053 -2.835 -2.048 1.00 0.00 C ATOM 1165 O HIS A 582 -8.174 -2.427 -2.809 1.00 0.00 O ATOM 1166 CB HIS A 582 -11.184 -2.561 -3.350 1.00 0.00 C ATOM 1167 CG HIS A 582 -12.233 -3.241 -4.177 1.00 0.00 C ATOM 1168 ND1 HIS A 582 -13.566 -3.163 -3.858 1.00 0.00 N ATOM 1169 CD2 HIS A 582 -12.092 -3.991 -5.296 1.00 0.00 C ATOM 1170 CE1 HIS A 582 -14.200 -3.862 -4.783 1.00 0.00 C ATOM 1171 NE2 HIS A 582 -13.347 -4.384 -5.675 1.00 0.00 N ATOM 0 H HIS A 582 -11.903 -3.649 -1.231 1.00 0.00 H new ATOM 0 HA HIS A 582 -9.981 -4.325 -3.255 1.00 0.00 H new ATOM 0 HB2 HIS A 582 -11.668 -1.883 -2.647 1.00 0.00 H new ATOM 0 HB3 HIS A 582 -10.557 -1.951 -4.001 1.00 0.00 H new ATOM 0 HD2 HIS A 582 -11.165 -4.233 -5.795 1.00 0.00 H new ATOM 0 HE1 HIS A 582 -15.271 -3.996 -4.816 1.00 0.00 H new ATOM 0 HE2 HIS A 582 -13.587 -4.962 -6.480 1.00 0.00 H new ATOM 1179 N PHE A 583 -8.997 -2.701 -0.738 1.00 0.00 N ATOM 1180 CA PHE A 583 -7.889 -2.045 -0.077 1.00 0.00 C ATOM 1181 C PHE A 583 -7.056 -3.084 0.655 1.00 0.00 C ATOM 1182 O PHE A 583 -7.573 -3.840 1.476 1.00 0.00 O ATOM 1183 CB PHE A 583 -8.399 -0.978 0.895 1.00 0.00 C ATOM 1184 CG PHE A 583 -9.377 -0.025 0.270 1.00 0.00 C ATOM 1185 CD1 PHE A 583 -8.990 0.817 -0.756 1.00 0.00 C ATOM 1186 CD2 PHE A 583 -10.688 0.012 0.699 1.00 0.00 C ATOM 1187 CE1 PHE A 583 -9.894 1.681 -1.338 1.00 0.00 C ATOM 1188 CE2 PHE A 583 -11.600 0.871 0.120 1.00 0.00 C ATOM 1189 CZ PHE A 583 -11.202 1.707 -0.900 1.00 0.00 C ATOM 0 H PHE A 583 -9.718 -3.044 -0.103 1.00 0.00 H new ATOM 0 HA PHE A 583 -7.267 -1.548 -0.822 1.00 0.00 H new ATOM 0 HB2 PHE A 583 -8.873 -1.468 1.746 1.00 0.00 H new ATOM 0 HB3 PHE A 583 -7.551 -0.415 1.283 1.00 0.00 H new ATOM 0 HD1 PHE A 583 -7.968 0.798 -1.106 1.00 0.00 H new ATOM 0 HD2 PHE A 583 -11.005 -0.640 1.499 1.00 0.00 H new ATOM 0 HE1 PHE A 583 -9.578 2.337 -2.136 1.00 0.00 H new ATOM 0 HE2 PHE A 583 -12.623 0.888 0.466 1.00 0.00 H new ATOM 0 HZ PHE A 583 -11.912 2.381 -1.356 1.00 0.00 H new ATOM 1199 N SER A 584 -5.772 -3.136 0.355 1.00 0.00 N ATOM 1200 CA SER A 584 -4.901 -4.137 0.940 1.00 0.00 C ATOM 1201 C SER A 584 -3.601 -3.490 1.380 1.00 0.00 C ATOM 1202 O SER A 584 -2.982 -2.741 0.622 1.00 0.00 O ATOM 1203 CB SER A 584 -4.620 -5.250 -0.069 1.00 0.00 C ATOM 1204 OG SER A 584 -5.823 -5.842 -0.512 1.00 0.00 O ATOM 0 H SER A 584 -5.309 -2.496 -0.291 1.00 0.00 H new ATOM 0 HA SER A 584 -5.395 -4.573 1.808 1.00 0.00 H new ATOM 0 HB2 SER A 584 -4.074 -4.845 -0.921 1.00 0.00 H new ATOM 0 HB3 SER A 584 -3.983 -6.008 0.387 1.00 0.00 H new ATOM 0 HG SER A 584 -6.053 -6.593 0.074 1.00 0.00 H new ATOM 1210 N PHE A 585 -3.178 -3.788 2.593 1.00 0.00 N ATOM 1211 CA PHE A 585 -1.982 -3.180 3.146 1.00 0.00 C ATOM 1212 C PHE A 585 -0.793 -4.128 3.082 1.00 0.00 C ATOM 1213 O PHE A 585 0.324 -3.759 3.448 1.00 0.00 O ATOM 1214 CB PHE A 585 -2.235 -2.720 4.578 1.00 0.00 C ATOM 1215 CG PHE A 585 -3.094 -1.494 4.647 1.00 0.00 C ATOM 1216 CD1 PHE A 585 -2.589 -0.278 4.238 1.00 0.00 C ATOM 1217 CD2 PHE A 585 -4.396 -1.552 5.115 1.00 0.00 C ATOM 1218 CE1 PHE A 585 -3.354 0.861 4.291 1.00 0.00 C ATOM 1219 CE2 PHE A 585 -5.172 -0.409 5.170 1.00 0.00 C ATOM 1220 CZ PHE A 585 -4.646 0.801 4.757 1.00 0.00 C ATOM 0 H PHE A 585 -3.645 -4.448 3.215 1.00 0.00 H new ATOM 0 HA PHE A 585 -1.736 -2.309 2.539 1.00 0.00 H new ATOM 0 HB2 PHE A 585 -2.713 -3.526 5.135 1.00 0.00 H new ATOM 0 HB3 PHE A 585 -1.281 -2.518 5.065 1.00 0.00 H new ATOM 0 HD1 PHE A 585 -1.575 -0.220 3.870 1.00 0.00 H new ATOM 0 HD2 PHE A 585 -4.808 -2.496 5.439 1.00 0.00 H new ATOM 0 HE1 PHE A 585 -2.941 1.804 3.966 1.00 0.00 H new ATOM 0 HE2 PHE A 585 -6.187 -0.461 5.535 1.00 0.00 H new ATOM 0 HZ PHE A 585 -5.248 1.696 4.800 1.00 0.00 H new ATOM 1230 N SER A 586 -1.043 -5.347 2.627 1.00 0.00 N ATOM 1231 CA SER A 586 0.020 -6.310 2.388 1.00 0.00 C ATOM 1232 C SER A 586 0.992 -5.791 1.326 1.00 0.00 C ATOM 1233 O SER A 586 0.612 -5.582 0.169 1.00 0.00 O ATOM 1234 CB SER A 586 -0.590 -7.638 1.942 1.00 0.00 C ATOM 1235 OG SER A 586 -1.569 -8.075 2.869 1.00 0.00 O ATOM 0 H SER A 586 -1.979 -5.693 2.415 1.00 0.00 H new ATOM 0 HA SER A 586 0.577 -6.459 3.313 1.00 0.00 H new ATOM 0 HB2 SER A 586 -1.041 -7.524 0.956 1.00 0.00 H new ATOM 0 HB3 SER A 586 0.193 -8.391 1.850 1.00 0.00 H new ATOM 0 HG SER A 586 -1.950 -8.926 2.566 1.00 0.00 H new ATOM 1241 N PRO A 587 2.264 -5.572 1.706 1.00 0.00 N ATOM 1242 CA PRO A 587 3.291 -5.054 0.797 1.00 0.00 C ATOM 1243 C PRO A 587 3.804 -6.110 -0.176 1.00 0.00 C ATOM 1244 O PRO A 587 4.792 -5.895 -0.871 1.00 0.00 O ATOM 1245 CB PRO A 587 4.404 -4.624 1.746 1.00 0.00 C ATOM 1246 CG PRO A 587 4.285 -5.571 2.885 1.00 0.00 C ATOM 1247 CD PRO A 587 2.807 -5.791 3.064 1.00 0.00 C ATOM 0 HA PRO A 587 2.908 -4.254 0.164 1.00 0.00 H new ATOM 0 HB2 PRO A 587 5.383 -4.691 1.271 1.00 0.00 H new ATOM 0 HB3 PRO A 587 4.277 -3.591 2.070 1.00 0.00 H new ATOM 0 HG2 PRO A 587 4.800 -6.508 2.673 1.00 0.00 H new ATOM 0 HG3 PRO A 587 4.734 -5.158 3.789 1.00 0.00 H new ATOM 0 HD2 PRO A 587 2.591 -6.796 3.427 1.00 0.00 H new ATOM 0 HD3 PRO A 587 2.381 -5.093 3.785 1.00 0.00 H new ATOM 1255 N ARG A 588 3.128 -7.251 -0.231 1.00 0.00 N ATOM 1256 CA ARG A 588 3.459 -8.293 -1.186 1.00 0.00 C ATOM 1257 C ARG A 588 2.555 -8.150 -2.400 1.00 0.00 C ATOM 1258 O ARG A 588 2.654 -8.907 -3.364 1.00 0.00 O ATOM 1259 CB ARG A 588 3.279 -9.682 -0.567 1.00 0.00 C ATOM 1260 CG ARG A 588 3.948 -9.855 0.788 1.00 0.00 C ATOM 1261 CD ARG A 588 3.855 -11.296 1.260 1.00 0.00 C ATOM 1262 NE ARG A 588 4.121 -11.434 2.691 1.00 0.00 N ATOM 1263 CZ ARG A 588 4.374 -12.598 3.290 1.00 0.00 C ATOM 1264 NH1 ARG A 588 4.519 -13.703 2.566 1.00 0.00 N ATOM 1265 NH2 ARG A 588 4.500 -12.656 4.612 1.00 0.00 N ATOM 0 H ARG A 588 2.343 -7.476 0.380 1.00 0.00 H new ATOM 0 HA ARG A 588 4.504 -8.187 -1.479 1.00 0.00 H new ATOM 0 HB2 ARG A 588 2.213 -9.884 -0.461 1.00 0.00 H new ATOM 0 HB3 ARG A 588 3.679 -10.428 -1.254 1.00 0.00 H new ATOM 0 HG2 ARG A 588 4.994 -9.557 0.722 1.00 0.00 H new ATOM 0 HG3 ARG A 588 3.475 -9.198 1.518 1.00 0.00 H new ATOM 0 HD2 ARG A 588 2.861 -11.684 1.039 1.00 0.00 H new ATOM 0 HD3 ARG A 588 4.566 -11.905 0.701 1.00 0.00 H new ATOM 0 HE ARG A 588 4.113 -10.591 3.265 1.00 0.00 H new ATOM 0 HH11 ARG A 588 4.437 -13.662 1.550 1.00 0.00 H new ATOM 0 HH12 ARG A 588 4.713 -14.592 3.026 1.00 0.00 H new ATOM 0 HH21 ARG A 588 4.403 -11.808 5.171 1.00 0.00 H new ATOM 0 HH22 ARG A 588 4.694 -13.548 5.067 1.00 0.00 H new ATOM 1279 N MET A 589 1.667 -7.166 -2.327 1.00 0.00 N ATOM 1280 CA MET A 589 0.739 -6.882 -3.409 1.00 0.00 C ATOM 1281 C MET A 589 1.300 -5.784 -4.309 1.00 0.00 C ATOM 1282 O MET A 589 1.296 -4.607 -3.938 1.00 0.00 O ATOM 1283 CB MET A 589 -0.622 -6.457 -2.848 1.00 0.00 C ATOM 1284 CG MET A 589 -1.705 -6.384 -3.898 1.00 0.00 C ATOM 1285 SD MET A 589 -2.063 -7.980 -4.657 1.00 0.00 S ATOM 1286 CE MET A 589 -2.819 -8.852 -3.286 1.00 0.00 C ATOM 0 H MET A 589 1.572 -6.548 -1.521 1.00 0.00 H new ATOM 0 HA MET A 589 0.606 -7.789 -3.999 1.00 0.00 H new ATOM 0 HB2 MET A 589 -0.924 -7.162 -2.073 1.00 0.00 H new ATOM 0 HB3 MET A 589 -0.522 -5.482 -2.371 1.00 0.00 H new ATOM 0 HG2 MET A 589 -2.616 -5.991 -3.446 1.00 0.00 H new ATOM 0 HG3 MET A 589 -1.404 -5.679 -4.673 1.00 0.00 H new ATOM 0 HE1 MET A 589 -3.300 -9.759 -3.652 1.00 0.00 H new ATOM 0 HE2 MET A 589 -2.053 -9.117 -2.557 1.00 0.00 H new ATOM 0 HE3 MET A 589 -3.564 -8.212 -2.814 1.00 0.00 H new ATOM 1296 N PRO A 590 1.792 -6.157 -5.497 1.00 0.00 N ATOM 1297 CA PRO A 590 2.435 -5.224 -6.426 1.00 0.00 C ATOM 1298 C PRO A 590 1.431 -4.445 -7.269 1.00 0.00 C ATOM 1299 O PRO A 590 1.347 -4.623 -8.484 1.00 0.00 O ATOM 1300 CB PRO A 590 3.264 -6.155 -7.306 1.00 0.00 C ATOM 1301 CG PRO A 590 2.479 -7.422 -7.355 1.00 0.00 C ATOM 1302 CD PRO A 590 1.762 -7.532 -6.033 1.00 0.00 C ATOM 0 HA PRO A 590 3.012 -4.457 -5.910 1.00 0.00 H new ATOM 0 HB2 PRO A 590 3.405 -5.737 -8.303 1.00 0.00 H new ATOM 0 HB3 PRO A 590 4.256 -6.319 -6.886 1.00 0.00 H new ATOM 0 HG2 PRO A 590 1.769 -7.407 -8.182 1.00 0.00 H new ATOM 0 HG3 PRO A 590 3.134 -8.279 -7.514 1.00 0.00 H new ATOM 0 HD2 PRO A 590 0.740 -7.888 -6.161 1.00 0.00 H new ATOM 0 HD3 PRO A 590 2.262 -8.232 -5.364 1.00 0.00 H new ATOM 1310 N VAL A 591 0.668 -3.577 -6.626 1.00 0.00 N ATOM 1311 CA VAL A 591 -0.397 -2.883 -7.323 1.00 0.00 C ATOM 1312 C VAL A 591 -0.079 -1.426 -7.640 1.00 0.00 C ATOM 1313 O VAL A 591 0.113 -1.102 -8.809 1.00 0.00 O ATOM 1314 CB VAL A 591 -1.729 -3.012 -6.576 1.00 0.00 C ATOM 1315 CG1 VAL A 591 -2.797 -2.164 -7.234 1.00 0.00 C ATOM 1316 CG2 VAL A 591 -2.142 -4.466 -6.570 1.00 0.00 C ATOM 0 H VAL A 591 0.764 -3.340 -5.639 1.00 0.00 H new ATOM 0 HA VAL A 591 -0.491 -3.381 -8.288 1.00 0.00 H new ATOM 0 HB VAL A 591 -1.607 -2.658 -5.552 1.00 0.00 H new ATOM 0 HG11 VAL A 591 -3.734 -2.271 -6.688 1.00 0.00 H new ATOM 0 HG12 VAL A 591 -2.488 -1.119 -7.225 1.00 0.00 H new ATOM 0 HG13 VAL A 591 -2.938 -2.492 -8.264 1.00 0.00 H new ATOM 0 HG21 VAL A 591 -3.089 -4.573 -6.041 1.00 0.00 H new ATOM 0 HG22 VAL A 591 -2.258 -4.816 -7.596 1.00 0.00 H new ATOM 0 HG23 VAL A 591 -1.377 -5.059 -6.068 1.00 0.00 H new ATOM 1326 N GLY A 592 -0.021 -0.532 -6.651 1.00 0.00 N ATOM 1327 CA GLY A 592 0.144 0.872 -6.968 1.00 0.00 C ATOM 1328 C GLY A 592 1.592 1.264 -7.112 1.00 0.00 C ATOM 1329 O GLY A 592 2.209 1.020 -8.149 1.00 0.00 O ATOM 0 H GLY A 592 -0.084 -0.752 -5.657 1.00 0.00 H new ATOM 0 HA2 GLY A 592 -0.384 1.097 -7.895 1.00 0.00 H new ATOM 0 HA3 GLY A 592 -0.316 1.475 -6.185 1.00 0.00 H new ATOM 1333 N ASP A 593 2.142 1.853 -6.067 1.00 0.00 N ATOM 1334 CA ASP A 593 3.495 2.353 -6.115 1.00 0.00 C ATOM 1335 C ASP A 593 4.338 1.741 -5.008 1.00 0.00 C ATOM 1336 O ASP A 593 3.867 1.515 -3.901 1.00 0.00 O ATOM 1337 CB ASP A 593 3.507 3.880 -6.008 1.00 0.00 C ATOM 1338 CG ASP A 593 2.851 4.556 -7.196 1.00 0.00 C ATOM 1339 OD1 ASP A 593 1.618 4.777 -7.160 1.00 0.00 O ATOM 1340 OD2 ASP A 593 3.557 4.868 -8.177 1.00 0.00 O ATOM 0 H ASP A 593 1.668 1.995 -5.175 1.00 0.00 H new ATOM 0 HA ASP A 593 3.927 2.067 -7.074 1.00 0.00 H new ATOM 0 HB2 ASP A 593 2.993 4.180 -5.095 1.00 0.00 H new ATOM 0 HB3 ASP A 593 4.537 4.226 -5.922 1.00 0.00 H new ATOM 1345 N PHE A 594 5.572 1.459 -5.352 1.00 0.00 N ATOM 1346 CA PHE A 594 6.547 0.909 -4.413 1.00 0.00 C ATOM 1347 C PHE A 594 7.767 1.805 -4.304 1.00 0.00 C ATOM 1348 O PHE A 594 8.314 2.245 -5.313 1.00 0.00 O ATOM 1349 CB PHE A 594 6.973 -0.496 -4.836 1.00 0.00 C ATOM 1350 CG PHE A 594 6.066 -1.585 -4.339 1.00 0.00 C ATOM 1351 CD1 PHE A 594 4.769 -1.704 -4.810 1.00 0.00 C ATOM 1352 CD2 PHE A 594 6.518 -2.490 -3.395 1.00 0.00 C ATOM 1353 CE1 PHE A 594 3.940 -2.706 -4.347 1.00 0.00 C ATOM 1354 CE2 PHE A 594 5.694 -3.495 -2.927 1.00 0.00 C ATOM 1355 CZ PHE A 594 4.403 -3.603 -3.404 1.00 0.00 C ATOM 0 H PHE A 594 5.939 1.602 -6.293 1.00 0.00 H new ATOM 0 HA PHE A 594 6.068 0.854 -3.435 1.00 0.00 H new ATOM 0 HB2 PHE A 594 7.014 -0.540 -5.924 1.00 0.00 H new ATOM 0 HB3 PHE A 594 7.983 -0.684 -4.471 1.00 0.00 H new ATOM 0 HD1 PHE A 594 4.402 -1.005 -5.547 1.00 0.00 H new ATOM 0 HD2 PHE A 594 7.527 -2.410 -3.019 1.00 0.00 H new ATOM 0 HE1 PHE A 594 2.930 -2.789 -4.722 1.00 0.00 H new ATOM 0 HE2 PHE A 594 6.059 -4.195 -2.190 1.00 0.00 H new ATOM 0 HZ PHE A 594 3.756 -4.388 -3.040 1.00 0.00 H new ATOM 1365 N PHE A 595 8.180 2.089 -3.076 1.00 0.00 N ATOM 1366 CA PHE A 595 9.349 2.919 -2.835 1.00 0.00 C ATOM 1367 C PHE A 595 10.285 2.246 -1.844 1.00 0.00 C ATOM 1368 O PHE A 595 9.861 1.433 -1.025 1.00 0.00 O ATOM 1369 CB PHE A 595 8.924 4.287 -2.288 1.00 0.00 C ATOM 1370 CG PHE A 595 7.803 4.916 -3.062 1.00 0.00 C ATOM 1371 CD1 PHE A 595 6.487 4.632 -2.740 1.00 0.00 C ATOM 1372 CD2 PHE A 595 8.062 5.770 -4.118 1.00 0.00 C ATOM 1373 CE1 PHE A 595 5.453 5.188 -3.455 1.00 0.00 C ATOM 1374 CE2 PHE A 595 7.026 6.329 -4.840 1.00 0.00 C ATOM 1375 CZ PHE A 595 5.719 6.034 -4.506 1.00 0.00 C ATOM 0 H PHE A 595 7.720 1.755 -2.229 1.00 0.00 H new ATOM 0 HA PHE A 595 9.872 3.055 -3.782 1.00 0.00 H new ATOM 0 HB2 PHE A 595 8.619 4.175 -1.247 1.00 0.00 H new ATOM 0 HB3 PHE A 595 9.784 4.957 -2.298 1.00 0.00 H new ATOM 0 HD1 PHE A 595 6.270 3.966 -1.918 1.00 0.00 H new ATOM 0 HD2 PHE A 595 9.084 6.002 -4.381 1.00 0.00 H new ATOM 0 HE1 PHE A 595 4.431 4.960 -3.191 1.00 0.00 H new ATOM 0 HE2 PHE A 595 7.237 6.995 -5.664 1.00 0.00 H new ATOM 0 HZ PHE A 595 4.906 6.467 -5.070 1.00 0.00 H new ATOM 1385 N GLU A 596 11.550 2.606 -1.923 1.00 0.00 N ATOM 1386 CA GLU A 596 12.553 2.092 -1.010 1.00 0.00 C ATOM 1387 C GLU A 596 13.382 3.253 -0.480 1.00 0.00 C ATOM 1388 O GLU A 596 13.889 4.064 -1.260 1.00 0.00 O ATOM 1389 CB GLU A 596 13.455 1.083 -1.726 1.00 0.00 C ATOM 1390 CG GLU A 596 14.588 0.562 -0.855 1.00 0.00 C ATOM 1391 CD GLU A 596 15.587 -0.280 -1.619 1.00 0.00 C ATOM 1392 OE1 GLU A 596 16.397 0.290 -2.382 1.00 0.00 O ATOM 1393 OE2 GLU A 596 15.588 -1.514 -1.451 1.00 0.00 O ATOM 0 H GLU A 596 11.911 3.260 -2.618 1.00 0.00 H new ATOM 0 HA GLU A 596 12.063 1.584 -0.180 1.00 0.00 H new ATOM 0 HB2 GLU A 596 12.850 0.242 -2.064 1.00 0.00 H new ATOM 0 HB3 GLU A 596 13.876 1.551 -2.616 1.00 0.00 H new ATOM 0 HG2 GLU A 596 15.106 1.406 -0.400 1.00 0.00 H new ATOM 0 HG3 GLU A 596 14.170 -0.031 -0.041 1.00 0.00 H new ATOM 1400 N GLU A 597 13.502 3.361 0.835 1.00 0.00 N ATOM 1401 CA GLU A 597 14.240 4.443 1.461 1.00 0.00 C ATOM 1402 C GLU A 597 15.733 4.208 1.288 1.00 0.00 C ATOM 1403 O GLU A 597 16.264 3.174 1.701 1.00 0.00 O ATOM 1404 CB GLU A 597 13.890 4.507 2.948 1.00 0.00 C ATOM 1405 CG GLU A 597 14.821 5.379 3.772 1.00 0.00 C ATOM 1406 CD GLU A 597 14.566 5.239 5.258 1.00 0.00 C ATOM 1407 OE1 GLU A 597 14.967 4.205 5.835 1.00 0.00 O ATOM 1408 OE2 GLU A 597 13.957 6.148 5.853 1.00 0.00 O ATOM 0 H GLU A 597 13.091 2.701 1.495 1.00 0.00 H new ATOM 0 HA GLU A 597 13.971 5.388 0.990 1.00 0.00 H new ATOM 0 HB2 GLU A 597 12.872 4.882 3.054 1.00 0.00 H new ATOM 0 HB3 GLU A 597 13.902 3.496 3.356 1.00 0.00 H new ATOM 0 HG2 GLU A 597 15.855 5.111 3.555 1.00 0.00 H new ATOM 0 HG3 GLU A 597 14.694 6.421 3.479 1.00 0.00 H new ATOM 1415 N ARG A 598 16.402 5.169 0.677 1.00 0.00 N ATOM 1416 CA ARG A 598 17.798 5.024 0.317 1.00 0.00 C ATOM 1417 C ARG A 598 18.578 6.282 0.686 1.00 0.00 C ATOM 1418 O ARG A 598 17.998 7.366 0.808 1.00 0.00 O ATOM 1419 CB ARG A 598 17.882 4.742 -1.191 1.00 0.00 C ATOM 1420 CG ARG A 598 19.287 4.705 -1.769 1.00 0.00 C ATOM 1421 CD ARG A 598 19.259 4.389 -3.256 1.00 0.00 C ATOM 1422 NE ARG A 598 20.594 4.399 -3.848 1.00 0.00 N ATOM 1423 CZ ARG A 598 20.876 3.923 -5.059 1.00 0.00 C ATOM 1424 NH1 ARG A 598 19.920 3.378 -5.804 1.00 0.00 N ATOM 1425 NH2 ARG A 598 22.117 3.990 -5.523 1.00 0.00 N ATOM 0 H ARG A 598 15.994 6.067 0.418 1.00 0.00 H new ATOM 0 HA ARG A 598 18.243 4.194 0.867 1.00 0.00 H new ATOM 0 HB2 ARG A 598 17.399 3.786 -1.392 1.00 0.00 H new ATOM 0 HB3 ARG A 598 17.310 5.505 -1.719 1.00 0.00 H new ATOM 0 HG2 ARG A 598 19.775 5.666 -1.607 1.00 0.00 H new ATOM 0 HG3 ARG A 598 19.879 3.954 -1.246 1.00 0.00 H new ATOM 0 HD2 ARG A 598 18.803 3.411 -3.409 1.00 0.00 H new ATOM 0 HD3 ARG A 598 18.631 5.117 -3.769 1.00 0.00 H new ATOM 0 HE ARG A 598 21.358 4.795 -3.300 1.00 0.00 H new ATOM 0 HH11 ARG A 598 18.965 3.323 -5.449 1.00 0.00 H new ATOM 0 HH12 ARG A 598 20.141 3.015 -6.731 1.00 0.00 H new ATOM 0 HH21 ARG A 598 22.853 4.406 -4.952 1.00 0.00 H new ATOM 0 HH22 ARG A 598 22.335 3.626 -6.451 1.00 0.00 H new ATOM 1439 N ASP A 599 19.887 6.143 0.857 1.00 0.00 N ATOM 1440 CA ASP A 599 20.753 7.281 1.115 1.00 0.00 C ATOM 1441 C ASP A 599 21.470 7.708 -0.149 1.00 0.00 C ATOM 1442 O ASP A 599 21.892 6.881 -0.955 1.00 0.00 O ATOM 1443 CB ASP A 599 21.772 6.965 2.220 1.00 0.00 C ATOM 1444 CG ASP A 599 22.699 5.814 1.874 1.00 0.00 C ATOM 1445 OD1 ASP A 599 23.747 6.051 1.237 1.00 0.00 O ATOM 1446 OD2 ASP A 599 22.392 4.666 2.252 1.00 0.00 O ATOM 0 H ASP A 599 20.372 5.246 0.821 1.00 0.00 H new ATOM 0 HA ASP A 599 20.124 8.103 1.455 1.00 0.00 H new ATOM 0 HB2 ASP A 599 22.369 7.855 2.419 1.00 0.00 H new ATOM 0 HB3 ASP A 599 21.237 6.727 3.140 1.00 0.00 H new ATOM 1451 N THR A 600 21.565 9.009 -0.326 1.00 0.00 N ATOM 1452 CA THR A 600 22.210 9.592 -1.485 1.00 0.00 C ATOM 1453 C THR A 600 23.149 10.697 -1.038 1.00 0.00 C ATOM 1454 O THR A 600 23.075 11.150 0.105 1.00 0.00 O ATOM 1455 CB THR A 600 21.158 10.180 -2.443 1.00 0.00 C ATOM 1456 OG1 THR A 600 20.605 11.365 -1.877 1.00 0.00 O ATOM 1457 CG2 THR A 600 20.040 9.191 -2.679 1.00 0.00 C ATOM 0 H THR A 600 21.196 9.695 0.332 1.00 0.00 H new ATOM 0 HA THR A 600 22.770 8.814 -2.004 1.00 0.00 H new ATOM 0 HB THR A 600 21.646 10.405 -3.391 1.00 0.00 H new ATOM 0 HG1 THR A 600 19.983 11.125 -1.159 1.00 0.00 H new ATOM 0 HG21 THR A 600 19.307 9.626 -3.359 1.00 0.00 H new ATOM 0 HG22 THR A 600 20.447 8.280 -3.118 1.00 0.00 H new ATOM 0 HG23 THR A 600 19.559 8.953 -1.730 1.00 0.00 H new ATOM 1465 N PRO A 601 24.052 11.135 -1.921 1.00 0.00 N ATOM 1466 CA PRO A 601 24.955 12.256 -1.647 1.00 0.00 C ATOM 1467 C PRO A 601 24.207 13.561 -1.348 1.00 0.00 C ATOM 1468 O PRO A 601 24.793 14.520 -0.847 1.00 0.00 O ATOM 1469 CB PRO A 601 25.785 12.373 -2.933 1.00 0.00 C ATOM 1470 CG PRO A 601 24.998 11.652 -3.970 1.00 0.00 C ATOM 1471 CD PRO A 601 24.299 10.547 -3.244 1.00 0.00 C ATOM 0 HA PRO A 601 25.559 12.082 -0.757 1.00 0.00 H new ATOM 0 HB2 PRO A 601 25.939 13.416 -3.209 1.00 0.00 H new ATOM 0 HB3 PRO A 601 26.772 11.928 -2.807 1.00 0.00 H new ATOM 0 HG2 PRO A 601 24.283 12.318 -4.454 1.00 0.00 H new ATOM 0 HG3 PRO A 601 25.647 11.259 -4.752 1.00 0.00 H new ATOM 0 HD2 PRO A 601 23.371 10.261 -3.739 1.00 0.00 H new ATOM 0 HD3 PRO A 601 24.916 9.651 -3.180 1.00 0.00 H new ATOM 1479 N GLU A 602 22.909 13.594 -1.648 1.00 0.00 N ATOM 1480 CA GLU A 602 22.084 14.748 -1.300 1.00 0.00 C ATOM 1481 C GLU A 602 21.323 14.488 0.001 1.00 0.00 C ATOM 1482 O GLU A 602 20.867 15.420 0.662 1.00 0.00 O ATOM 1483 CB GLU A 602 21.105 15.087 -2.432 1.00 0.00 C ATOM 1484 CG GLU A 602 19.936 14.125 -2.548 1.00 0.00 C ATOM 1485 CD GLU A 602 19.002 14.465 -3.686 1.00 0.00 C ATOM 1486 OE1 GLU A 602 18.130 15.339 -3.506 1.00 0.00 O ATOM 1487 OE2 GLU A 602 19.122 13.843 -4.761 1.00 0.00 O ATOM 0 H GLU A 602 22.411 12.843 -2.126 1.00 0.00 H new ATOM 0 HA GLU A 602 22.744 15.603 -1.155 1.00 0.00 H new ATOM 0 HB2 GLU A 602 20.719 16.094 -2.275 1.00 0.00 H new ATOM 0 HB3 GLU A 602 21.648 15.098 -3.377 1.00 0.00 H new ATOM 0 HG2 GLU A 602 20.318 13.114 -2.688 1.00 0.00 H new ATOM 0 HG3 GLU A 602 19.376 14.128 -1.613 1.00 0.00 H new ATOM 1494 N GLY A 603 21.203 13.219 0.368 1.00 0.00 N ATOM 1495 CA GLY A 603 20.505 12.886 1.586 1.00 0.00 C ATOM 1496 C GLY A 603 19.598 11.691 1.457 1.00 0.00 C ATOM 1497 O GLY A 603 19.686 10.922 0.501 1.00 0.00 O ATOM 0 H GLY A 603 21.574 12.424 -0.152 1.00 0.00 H new ATOM 0 HA2 GLY A 603 21.235 12.693 2.372 1.00 0.00 H new ATOM 0 HA3 GLY A 603 19.915 13.746 1.903 1.00 0.00 H new ATOM 1501 N LEU A 604 18.732 11.539 2.436 1.00 0.00 N ATOM 1502 CA LEU A 604 17.770 10.456 2.455 1.00 0.00 C ATOM 1503 C LEU A 604 16.564 10.811 1.618 1.00 0.00 C ATOM 1504 O LEU A 604 15.857 11.785 1.885 1.00 0.00 O ATOM 1505 CB LEU A 604 17.345 10.133 3.884 1.00 0.00 C ATOM 1506 CG LEU A 604 18.419 9.456 4.724 1.00 0.00 C ATOM 1507 CD1 LEU A 604 18.017 9.432 6.189 1.00 0.00 C ATOM 1508 CD2 LEU A 604 18.677 8.044 4.221 1.00 0.00 C ATOM 0 H LEU A 604 18.674 12.162 3.241 1.00 0.00 H new ATOM 0 HA LEU A 604 18.244 9.571 2.031 1.00 0.00 H new ATOM 0 HB2 LEU A 604 17.044 11.057 4.378 1.00 0.00 H new ATOM 0 HB3 LEU A 604 16.467 9.488 3.852 1.00 0.00 H new ATOM 0 HG LEU A 604 19.340 10.031 4.630 1.00 0.00 H new ATOM 0 HD11 LEU A 604 18.798 8.944 6.773 1.00 0.00 H new ATOM 0 HD12 LEU A 604 17.882 10.453 6.546 1.00 0.00 H new ATOM 0 HD13 LEU A 604 17.083 8.882 6.301 1.00 0.00 H new ATOM 0 HD21 LEU A 604 19.447 7.575 4.833 1.00 0.00 H new ATOM 0 HD22 LEU A 604 17.758 7.461 4.285 1.00 0.00 H new ATOM 0 HD23 LEU A 604 19.011 8.082 3.184 1.00 0.00 H new ATOM 1520 N GLN A 605 16.349 10.021 0.596 1.00 0.00 N ATOM 1521 CA GLN A 605 15.238 10.234 -0.309 1.00 0.00 C ATOM 1522 C GLN A 605 14.552 8.905 -0.557 1.00 0.00 C ATOM 1523 O GLN A 605 15.197 7.853 -0.516 1.00 0.00 O ATOM 1524 CB GLN A 605 15.717 10.838 -1.617 1.00 0.00 C ATOM 1525 CG GLN A 605 16.515 9.874 -2.472 1.00 0.00 C ATOM 1526 CD GLN A 605 17.265 10.569 -3.580 1.00 0.00 C ATOM 1527 OE1 GLN A 605 17.422 10.029 -4.675 1.00 0.00 O ATOM 1528 NE2 GLN A 605 17.785 11.745 -3.285 1.00 0.00 N ATOM 0 H GLN A 605 16.932 9.217 0.365 1.00 0.00 H new ATOM 0 HA GLN A 605 14.533 10.934 0.139 1.00 0.00 H new ATOM 0 HB2 GLN A 605 14.854 11.186 -2.185 1.00 0.00 H new ATOM 0 HB3 GLN A 605 16.330 11.713 -1.401 1.00 0.00 H new ATOM 0 HG2 GLN A 605 17.222 9.334 -1.842 1.00 0.00 H new ATOM 0 HG3 GLN A 605 15.842 9.133 -2.903 1.00 0.00 H new ATOM 0 HE21 GLN A 605 17.629 12.155 -2.364 1.00 0.00 H new ATOM 0 HE22 GLN A 605 18.343 12.244 -3.978 1.00 0.00 H new ATOM 1537 N TRP A 606 13.253 8.929 -0.781 1.00 0.00 N ATOM 1538 CA TRP A 606 12.515 7.712 -1.025 1.00 0.00 C ATOM 1539 C TRP A 606 12.544 7.417 -2.511 1.00 0.00 C ATOM 1540 O TRP A 606 11.933 8.135 -3.307 1.00 0.00 O ATOM 1541 CB TRP A 606 11.074 7.848 -0.533 1.00 0.00 C ATOM 1542 CG TRP A 606 10.928 7.557 0.925 1.00 0.00 C ATOM 1543 CD1 TRP A 606 10.996 8.442 1.962 1.00 0.00 C ATOM 1544 CD2 TRP A 606 10.698 6.275 1.504 1.00 0.00 C ATOM 1545 NE1 TRP A 606 10.820 7.780 3.155 1.00 0.00 N ATOM 1546 CE2 TRP A 606 10.635 6.445 2.897 1.00 0.00 C ATOM 1547 CE3 TRP A 606 10.540 4.998 0.972 1.00 0.00 C ATOM 1548 CZ2 TRP A 606 10.418 5.377 3.766 1.00 0.00 C ATOM 1549 CZ3 TRP A 606 10.327 3.945 1.829 1.00 0.00 C ATOM 1550 CH2 TRP A 606 10.267 4.134 3.211 1.00 0.00 C ATOM 0 H TRP A 606 12.690 9.779 -0.799 1.00 0.00 H new ATOM 0 HA TRP A 606 12.975 6.889 -0.478 1.00 0.00 H new ATOM 0 HB2 TRP A 606 10.721 8.859 -0.734 1.00 0.00 H new ATOM 0 HB3 TRP A 606 10.436 7.169 -1.100 1.00 0.00 H new ATOM 0 HD1 TRP A 606 11.163 9.504 1.861 1.00 0.00 H new ATOM 0 HE1 TRP A 606 10.826 8.211 4.080 1.00 0.00 H new ATOM 0 HE3 TRP A 606 10.584 4.838 -0.095 1.00 0.00 H new ATOM 0 HZ2 TRP A 606 10.371 5.524 4.835 1.00 0.00 H new ATOM 0 HZ3 TRP A 606 10.204 2.951 1.425 1.00 0.00 H new ATOM 0 HH2 TRP A 606 10.098 3.284 3.855 1.00 0.00 H new ATOM 1561 N VAL A 607 13.262 6.376 -2.892 1.00 0.00 N ATOM 1562 CA VAL A 607 13.422 6.055 -4.294 1.00 0.00 C ATOM 1563 C VAL A 607 12.368 5.062 -4.737 1.00 0.00 C ATOM 1564 O VAL A 607 12.191 4.005 -4.133 1.00 0.00 O ATOM 1565 CB VAL A 607 14.825 5.474 -4.578 1.00 0.00 C ATOM 1566 CG1 VAL A 607 15.012 5.212 -6.065 1.00 0.00 C ATOM 1567 CG2 VAL A 607 15.908 6.408 -4.056 1.00 0.00 C ATOM 0 H VAL A 607 13.741 5.742 -2.252 1.00 0.00 H new ATOM 0 HA VAL A 607 13.306 6.981 -4.857 1.00 0.00 H new ATOM 0 HB VAL A 607 14.911 4.522 -4.053 1.00 0.00 H new ATOM 0 HG11 VAL A 607 16.007 4.803 -6.240 1.00 0.00 H new ATOM 0 HG12 VAL A 607 14.262 4.499 -6.406 1.00 0.00 H new ATOM 0 HG13 VAL A 607 14.901 6.146 -6.616 1.00 0.00 H new ATOM 0 HG21 VAL A 607 16.889 5.981 -4.266 1.00 0.00 H new ATOM 0 HG22 VAL A 607 15.821 7.377 -4.548 1.00 0.00 H new ATOM 0 HG23 VAL A 607 15.791 6.536 -2.980 1.00 0.00 H new ATOM 1577 N GLN A 608 11.665 5.429 -5.788 1.00 0.00 N ATOM 1578 CA GLN A 608 10.591 4.620 -6.318 1.00 0.00 C ATOM 1579 C GLN A 608 11.163 3.409 -7.033 1.00 0.00 C ATOM 1580 O GLN A 608 12.106 3.524 -7.820 1.00 0.00 O ATOM 1581 CB GLN A 608 9.731 5.434 -7.277 1.00 0.00 C ATOM 1582 CG GLN A 608 8.562 4.648 -7.838 1.00 0.00 C ATOM 1583 CD GLN A 608 7.597 5.511 -8.610 1.00 0.00 C ATOM 1584 OE1 GLN A 608 7.982 6.505 -9.224 1.00 0.00 O ATOM 1585 NE2 GLN A 608 6.335 5.138 -8.576 1.00 0.00 N ATOM 0 H GLN A 608 11.823 6.298 -6.298 1.00 0.00 H new ATOM 0 HA GLN A 608 9.965 4.286 -5.491 1.00 0.00 H new ATOM 0 HB2 GLN A 608 9.354 6.315 -6.759 1.00 0.00 H new ATOM 0 HB3 GLN A 608 10.351 5.789 -8.100 1.00 0.00 H new ATOM 0 HG2 GLN A 608 8.939 3.860 -8.489 1.00 0.00 H new ATOM 0 HG3 GLN A 608 8.032 4.160 -7.020 1.00 0.00 H new ATOM 0 HE21 GLN A 608 6.063 4.306 -8.053 1.00 0.00 H new ATOM 0 HE22 GLN A 608 5.629 5.681 -9.073 1.00 0.00 H new ATOM 1594 N LEU A 609 10.580 2.258 -6.761 1.00 0.00 N ATOM 1595 CA LEU A 609 11.025 1.010 -7.343 1.00 0.00 C ATOM 1596 C LEU A 609 10.187 0.747 -8.576 1.00 0.00 C ATOM 1597 O LEU A 609 8.991 1.039 -8.573 1.00 0.00 O ATOM 1598 CB LEU A 609 10.823 -0.137 -6.347 1.00 0.00 C ATOM 1599 CG LEU A 609 11.563 -0.004 -5.017 1.00 0.00 C ATOM 1600 CD1 LEU A 609 10.959 -0.941 -3.982 1.00 0.00 C ATOM 1601 CD2 LEU A 609 13.038 -0.310 -5.201 1.00 0.00 C ATOM 0 H LEU A 609 9.784 2.163 -6.130 1.00 0.00 H new ATOM 0 HA LEU A 609 12.083 1.074 -7.596 1.00 0.00 H new ATOM 0 HB2 LEU A 609 9.757 -0.229 -6.140 1.00 0.00 H new ATOM 0 HB3 LEU A 609 11.136 -1.066 -6.824 1.00 0.00 H new ATOM 0 HG LEU A 609 11.460 1.022 -4.664 1.00 0.00 H new ATOM 0 HD11 LEU A 609 11.496 -0.836 -3.039 1.00 0.00 H new ATOM 0 HD12 LEU A 609 9.909 -0.689 -3.832 1.00 0.00 H new ATOM 0 HD13 LEU A 609 11.039 -1.970 -4.332 1.00 0.00 H new ATOM 0 HD21 LEU A 609 13.552 -0.211 -4.245 1.00 0.00 H new ATOM 0 HD22 LEU A 609 13.155 -1.328 -5.572 1.00 0.00 H new ATOM 0 HD23 LEU A 609 13.468 0.389 -5.918 1.00 0.00 H new ATOM 1613 N SER A 610 10.770 0.211 -9.630 1.00 0.00 N ATOM 1614 CA SER A 610 10.013 -0.168 -10.797 1.00 0.00 C ATOM 1615 C SER A 610 9.407 -1.537 -10.559 1.00 0.00 C ATOM 1616 O SER A 610 9.813 -2.233 -9.626 1.00 0.00 O ATOM 1617 CB SER A 610 10.920 -0.165 -12.025 1.00 0.00 C ATOM 1618 OG SER A 610 11.563 1.093 -12.164 1.00 0.00 O ATOM 0 H SER A 610 11.771 0.029 -9.698 1.00 0.00 H new ATOM 0 HA SER A 610 9.209 0.545 -10.978 1.00 0.00 H new ATOM 0 HB2 SER A 610 11.667 -0.954 -11.935 1.00 0.00 H new ATOM 0 HB3 SER A 610 10.334 -0.381 -12.918 1.00 0.00 H new ATOM 0 HG SER A 610 12.142 1.079 -12.954 1.00 0.00 H new ATOM 1624 N ALA A 611 8.438 -1.919 -11.377 1.00 0.00 N ATOM 1625 CA ALA A 611 7.747 -3.190 -11.210 1.00 0.00 C ATOM 1626 C ALA A 611 8.727 -4.354 -11.112 1.00 0.00 C ATOM 1627 O ALA A 611 8.461 -5.333 -10.422 1.00 0.00 O ATOM 1628 CB ALA A 611 6.766 -3.415 -12.350 1.00 0.00 C ATOM 0 H ALA A 611 8.110 -1.364 -12.168 1.00 0.00 H new ATOM 0 HA ALA A 611 7.194 -3.145 -10.272 1.00 0.00 H new ATOM 0 HB1 ALA A 611 6.258 -4.369 -12.210 1.00 0.00 H new ATOM 0 HB2 ALA A 611 6.031 -2.611 -12.361 1.00 0.00 H new ATOM 0 HB3 ALA A 611 7.305 -3.427 -13.297 1.00 0.00 H new ATOM 1634 N GLU A 612 9.853 -4.244 -11.810 1.00 0.00 N ATOM 1635 CA GLU A 612 10.873 -5.291 -11.793 1.00 0.00 C ATOM 1636 C GLU A 612 11.572 -5.366 -10.429 1.00 0.00 C ATOM 1637 O GLU A 612 11.958 -6.443 -9.979 1.00 0.00 O ATOM 1638 CB GLU A 612 11.915 -5.031 -12.879 1.00 0.00 C ATOM 1639 CG GLU A 612 11.345 -5.001 -14.284 1.00 0.00 C ATOM 1640 CD GLU A 612 12.395 -4.678 -15.321 1.00 0.00 C ATOM 1641 OE1 GLU A 612 13.155 -5.587 -15.708 1.00 0.00 O ATOM 1642 OE2 GLU A 612 12.472 -3.509 -15.752 1.00 0.00 O ATOM 0 H GLU A 612 10.084 -3.441 -12.395 1.00 0.00 H new ATOM 0 HA GLU A 612 10.374 -6.241 -11.982 1.00 0.00 H new ATOM 0 HB2 GLU A 612 12.406 -4.079 -12.677 1.00 0.00 H new ATOM 0 HB3 GLU A 612 12.682 -5.804 -12.825 1.00 0.00 H new ATOM 0 HG2 GLU A 612 10.897 -5.968 -14.513 1.00 0.00 H new ATOM 0 HG3 GLU A 612 10.547 -4.260 -14.335 1.00 0.00 H new ATOM 1649 N GLU A 613 11.740 -4.218 -9.780 1.00 0.00 N ATOM 1650 CA GLU A 613 12.430 -4.153 -8.491 1.00 0.00 C ATOM 1651 C GLU A 613 11.494 -4.521 -7.347 1.00 0.00 C ATOM 1652 O GLU A 613 11.939 -4.983 -6.293 1.00 0.00 O ATOM 1653 CB GLU A 613 12.989 -2.752 -8.256 1.00 0.00 C ATOM 1654 CG GLU A 613 14.074 -2.350 -9.239 1.00 0.00 C ATOM 1655 CD GLU A 613 15.300 -3.235 -9.154 1.00 0.00 C ATOM 1656 OE1 GLU A 613 16.149 -3.000 -8.267 1.00 0.00 O ATOM 1657 OE2 GLU A 613 15.426 -4.164 -9.975 1.00 0.00 O ATOM 0 H GLU A 613 11.408 -3.317 -10.124 1.00 0.00 H new ATOM 0 HA GLU A 613 13.249 -4.872 -8.519 1.00 0.00 H new ATOM 0 HB2 GLU A 613 12.173 -2.031 -8.315 1.00 0.00 H new ATOM 0 HB3 GLU A 613 13.390 -2.697 -7.244 1.00 0.00 H new ATOM 0 HG2 GLU A 613 13.673 -2.389 -10.252 1.00 0.00 H new ATOM 0 HG3 GLU A 613 14.364 -1.316 -9.050 1.00 0.00 H new ATOM 1664 N ILE A 614 10.205 -4.287 -7.567 1.00 0.00 N ATOM 1665 CA ILE A 614 9.166 -4.568 -6.575 1.00 0.00 C ATOM 1666 C ILE A 614 9.300 -5.963 -5.930 1.00 0.00 C ATOM 1667 O ILE A 614 9.457 -6.060 -4.711 1.00 0.00 O ATOM 1668 CB ILE A 614 7.759 -4.425 -7.206 1.00 0.00 C ATOM 1669 CG1 ILE A 614 7.433 -2.951 -7.460 1.00 0.00 C ATOM 1670 CG2 ILE A 614 6.700 -5.078 -6.332 1.00 0.00 C ATOM 1671 CD1 ILE A 614 6.039 -2.717 -8.006 1.00 0.00 C ATOM 0 H ILE A 614 9.847 -3.896 -8.439 1.00 0.00 H new ATOM 0 HA ILE A 614 9.299 -3.832 -5.783 1.00 0.00 H new ATOM 0 HB ILE A 614 7.760 -4.943 -8.165 1.00 0.00 H new ATOM 0 HG12 ILE A 614 7.545 -2.398 -6.527 1.00 0.00 H new ATOM 0 HG13 ILE A 614 8.161 -2.543 -8.162 1.00 0.00 H new ATOM 0 HG21 ILE A 614 5.722 -4.963 -6.799 1.00 0.00 H new ATOM 0 HG22 ILE A 614 6.925 -6.138 -6.218 1.00 0.00 H new ATOM 0 HG23 ILE A 614 6.693 -4.601 -5.352 1.00 0.00 H new ATOM 0 HD11 ILE A 614 5.883 -1.649 -8.160 1.00 0.00 H new ATOM 0 HD12 ILE A 614 5.928 -3.240 -8.956 1.00 0.00 H new ATOM 0 HD13 ILE A 614 5.302 -3.093 -7.296 1.00 0.00 H new ATOM 1683 N PRO A 615 9.271 -7.057 -6.723 1.00 0.00 N ATOM 1684 CA PRO A 615 9.299 -8.422 -6.186 1.00 0.00 C ATOM 1685 C PRO A 615 10.558 -8.707 -5.382 1.00 0.00 C ATOM 1686 O PRO A 615 10.516 -9.431 -4.388 1.00 0.00 O ATOM 1687 CB PRO A 615 9.245 -9.314 -7.430 1.00 0.00 C ATOM 1688 CG PRO A 615 9.644 -8.432 -8.557 1.00 0.00 C ATOM 1689 CD PRO A 615 9.191 -7.060 -8.188 1.00 0.00 C ATOM 0 HA PRO A 615 8.475 -8.593 -5.494 1.00 0.00 H new ATOM 0 HB2 PRO A 615 9.922 -10.163 -7.336 1.00 0.00 H new ATOM 0 HB3 PRO A 615 8.244 -9.719 -7.582 1.00 0.00 H new ATOM 0 HG2 PRO A 615 10.723 -8.458 -8.710 1.00 0.00 H new ATOM 0 HG3 PRO A 615 9.182 -8.757 -9.489 1.00 0.00 H new ATOM 0 HD2 PRO A 615 9.831 -6.294 -8.627 1.00 0.00 H new ATOM 0 HD3 PRO A 615 8.176 -6.865 -8.535 1.00 0.00 H new ATOM 1697 N SER A 616 11.667 -8.107 -5.795 1.00 0.00 N ATOM 1698 CA SER A 616 12.940 -8.311 -5.124 1.00 0.00 C ATOM 1699 C SER A 616 12.872 -7.788 -3.691 1.00 0.00 C ATOM 1700 O SER A 616 13.369 -8.425 -2.762 1.00 0.00 O ATOM 1701 CB SER A 616 14.052 -7.606 -5.901 1.00 0.00 C ATOM 1702 OG SER A 616 14.021 -7.975 -7.271 1.00 0.00 O ATOM 0 H SER A 616 11.708 -7.474 -6.594 1.00 0.00 H new ATOM 0 HA SER A 616 13.158 -9.378 -5.088 1.00 0.00 H new ATOM 0 HB2 SER A 616 13.939 -6.526 -5.808 1.00 0.00 H new ATOM 0 HB3 SER A 616 15.021 -7.863 -5.472 1.00 0.00 H new ATOM 0 HG SER A 616 14.739 -7.512 -7.751 1.00 0.00 H new ATOM 1708 N ARG A 617 12.221 -6.643 -3.513 1.00 0.00 N ATOM 1709 CA ARG A 617 12.024 -6.068 -2.188 1.00 0.00 C ATOM 1710 C ARG A 617 11.003 -6.869 -1.392 1.00 0.00 C ATOM 1711 O ARG A 617 11.175 -7.091 -0.192 1.00 0.00 O ATOM 1712 CB ARG A 617 11.594 -4.604 -2.283 1.00 0.00 C ATOM 1713 CG ARG A 617 12.756 -3.625 -2.296 1.00 0.00 C ATOM 1714 CD ARG A 617 13.652 -3.822 -3.505 1.00 0.00 C ATOM 1715 NE ARG A 617 14.768 -2.883 -3.504 1.00 0.00 N ATOM 1716 CZ ARG A 617 15.497 -2.583 -4.572 1.00 0.00 C ATOM 1717 NH1 ARG A 617 15.264 -3.192 -5.728 1.00 0.00 N ATOM 1718 NH2 ARG A 617 16.455 -1.669 -4.480 1.00 0.00 N ATOM 0 H ARG A 617 11.820 -6.094 -4.273 1.00 0.00 H new ATOM 0 HA ARG A 617 12.979 -6.111 -1.664 1.00 0.00 H new ATOM 0 HB2 ARG A 617 11.004 -4.466 -3.189 1.00 0.00 H new ATOM 0 HB3 ARG A 617 10.943 -4.370 -1.440 1.00 0.00 H new ATOM 0 HG2 ARG A 617 12.371 -2.605 -2.292 1.00 0.00 H new ATOM 0 HG3 ARG A 617 13.343 -3.747 -1.386 1.00 0.00 H new ATOM 0 HD2 ARG A 617 14.034 -4.843 -3.513 1.00 0.00 H new ATOM 0 HD3 ARG A 617 13.068 -3.693 -4.416 1.00 0.00 H new ATOM 0 HE ARG A 617 15.004 -2.426 -2.623 1.00 0.00 H new ATOM 0 HH11 ARG A 617 14.524 -3.891 -5.796 1.00 0.00 H new ATOM 0 HH12 ARG A 617 15.825 -2.961 -6.548 1.00 0.00 H new ATOM 0 HH21 ARG A 617 16.629 -1.200 -3.591 1.00 0.00 H new ATOM 0 HH22 ARG A 617 17.017 -1.436 -5.298 1.00 0.00 H new ATOM 1732 N ILE A 618 9.949 -7.314 -2.072 1.00 0.00 N ATOM 1733 CA ILE A 618 8.898 -8.098 -1.435 1.00 0.00 C ATOM 1734 C ILE A 618 9.468 -9.346 -0.771 1.00 0.00 C ATOM 1735 O ILE A 618 9.073 -9.696 0.330 1.00 0.00 O ATOM 1736 CB ILE A 618 7.808 -8.517 -2.443 1.00 0.00 C ATOM 1737 CG1 ILE A 618 7.083 -7.286 -2.993 1.00 0.00 C ATOM 1738 CG2 ILE A 618 6.821 -9.480 -1.797 1.00 0.00 C ATOM 1739 CD1 ILE A 618 5.961 -7.620 -3.954 1.00 0.00 C ATOM 0 H ILE A 618 9.801 -7.144 -3.067 1.00 0.00 H new ATOM 0 HA ILE A 618 8.448 -7.458 -0.676 1.00 0.00 H new ATOM 0 HB ILE A 618 8.289 -9.031 -3.275 1.00 0.00 H new ATOM 0 HG12 ILE A 618 6.677 -6.712 -2.160 1.00 0.00 H new ATOM 0 HG13 ILE A 618 7.805 -6.646 -3.500 1.00 0.00 H new ATOM 0 HG21 ILE A 618 6.060 -9.764 -2.524 1.00 0.00 H new ATOM 0 HG22 ILE A 618 7.350 -10.371 -1.459 1.00 0.00 H new ATOM 0 HG23 ILE A 618 6.345 -8.996 -0.944 1.00 0.00 H new ATOM 0 HD11 ILE A 618 5.494 -6.699 -4.302 1.00 0.00 H new ATOM 0 HD12 ILE A 618 6.363 -8.168 -4.806 1.00 0.00 H new ATOM 0 HD13 ILE A 618 5.218 -8.234 -3.446 1.00 0.00 H new ATOM 1751 N GLN A 619 10.410 -9.997 -1.440 1.00 0.00 N ATOM 1752 CA GLN A 619 11.019 -11.225 -0.932 1.00 0.00 C ATOM 1753 C GLN A 619 11.707 -11.009 0.415 1.00 0.00 C ATOM 1754 O GLN A 619 11.719 -11.899 1.264 1.00 0.00 O ATOM 1755 CB GLN A 619 11.998 -11.798 -1.951 1.00 0.00 C ATOM 1756 CG GLN A 619 11.326 -12.189 -3.254 1.00 0.00 C ATOM 1757 CD GLN A 619 10.235 -13.226 -3.066 1.00 0.00 C ATOM 1758 OE1 GLN A 619 10.486 -14.431 -3.118 1.00 0.00 O ATOM 1759 NE2 GLN A 619 9.011 -12.765 -2.853 1.00 0.00 N ATOM 0 H GLN A 619 10.773 -9.694 -2.344 1.00 0.00 H new ATOM 0 HA GLN A 619 10.216 -11.945 -0.773 1.00 0.00 H new ATOM 0 HB2 GLN A 619 12.776 -11.062 -2.155 1.00 0.00 H new ATOM 0 HB3 GLN A 619 12.490 -12.672 -1.524 1.00 0.00 H new ATOM 0 HG2 GLN A 619 10.899 -11.300 -3.718 1.00 0.00 H new ATOM 0 HG3 GLN A 619 12.077 -12.579 -3.942 1.00 0.00 H new ATOM 0 HE21 GLN A 619 8.844 -11.759 -2.817 1.00 0.00 H new ATOM 0 HE22 GLN A 619 8.236 -13.416 -2.725 1.00 0.00 H new ATOM 1768 N ALA A 620 12.256 -9.821 0.615 1.00 0.00 N ATOM 1769 CA ALA A 620 12.995 -9.515 1.835 1.00 0.00 C ATOM 1770 C ALA A 620 12.044 -9.155 2.966 1.00 0.00 C ATOM 1771 O ALA A 620 12.250 -9.539 4.119 1.00 0.00 O ATOM 1772 CB ALA A 620 13.976 -8.379 1.585 1.00 0.00 C ATOM 0 H ALA A 620 12.205 -9.050 -0.051 1.00 0.00 H new ATOM 0 HA ALA A 620 13.554 -10.403 2.130 1.00 0.00 H new ATOM 0 HB1 ALA A 620 14.521 -8.160 2.503 1.00 0.00 H new ATOM 0 HB2 ALA A 620 14.680 -8.671 0.806 1.00 0.00 H new ATOM 0 HB3 ALA A 620 13.431 -7.491 1.267 1.00 0.00 H new ATOM 1778 N ILE A 621 11.002 -8.411 2.628 1.00 0.00 N ATOM 1779 CA ILE A 621 9.979 -8.052 3.598 1.00 0.00 C ATOM 1780 C ILE A 621 8.994 -9.203 3.772 1.00 0.00 C ATOM 1781 O ILE A 621 8.072 -9.146 4.585 1.00 0.00 O ATOM 1782 CB ILE A 621 9.226 -6.773 3.179 1.00 0.00 C ATOM 1783 CG1 ILE A 621 8.569 -6.952 1.811 1.00 0.00 C ATOM 1784 CG2 ILE A 621 10.181 -5.592 3.148 1.00 0.00 C ATOM 1785 CD1 ILE A 621 7.746 -5.761 1.378 1.00 0.00 C ATOM 0 H ILE A 621 10.843 -8.044 1.690 1.00 0.00 H new ATOM 0 HA ILE A 621 10.476 -7.854 4.548 1.00 0.00 H new ATOM 0 HB ILE A 621 8.443 -6.580 3.913 1.00 0.00 H new ATOM 0 HG12 ILE A 621 9.343 -7.139 1.067 1.00 0.00 H new ATOM 0 HG13 ILE A 621 7.931 -7.835 1.836 1.00 0.00 H new ATOM 0 HG21 ILE A 621 9.639 -4.694 2.851 1.00 0.00 H new ATOM 0 HG22 ILE A 621 10.611 -5.446 4.139 1.00 0.00 H new ATOM 0 HG23 ILE A 621 10.979 -5.788 2.432 1.00 0.00 H new ATOM 0 HD11 ILE A 621 7.309 -5.957 0.399 1.00 0.00 H new ATOM 0 HD12 ILE A 621 6.950 -5.586 2.102 1.00 0.00 H new ATOM 0 HD13 ILE A 621 8.384 -4.879 1.321 1.00 0.00 H new