USER MOD reduce.3.24.130724 H: found=0, std=0, add=644, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 645 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 606 ASN : amide:sc= -0.0915 X(o=-0.1,f=-0.0091) USER MOD Set 1.2: A 608 GLN : amide:sc=-0.00913 X(o=-0.1,f=-0.29) USER MOD Set 2.1: A 561 ASN :FLIP amide:sc= -3.71! C(o=-16!,f=-8.6!) USER MOD Set 2.2: A 625 LYS NZ :NH3+ 174:sc= -4.92! (180deg=-1.29) USER MOD Single : A 558 GLN : amide:sc= -0.609 X(o=-0.61,f=-0.78) USER MOD Single : A 560 SER OG : rot 180:sc= 0 USER MOD Single : A 564 TYR OH : rot 180:sc= 0 USER MOD Single : A 567 SER OG : rot 180:sc= 0 USER MOD Single : A 569 LYS NZ :NH3+ -113:sc= 0 (180deg=-0.506) USER MOD Single : A 572 GLN : amide:sc= -9.3! C(o=-9.3!,f=-16!) USER MOD Single : A 573 GLN : amide:sc= -0.0495 X(o=-0.049,f=-0.5) USER MOD Single : A 576 GLN : amide:sc= -0.113 K(o=-0.11,f=-2.1!) USER MOD Single : A 582 HIS : no HE2:sc= -1.16 X(o=-1.2,f=-1.6) USER MOD Single : A 584 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 586 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 587 SER OG : rot 31:sc= 0.206 USER MOD Single : A 591 SER OG : rot 80:sc= -1.39! USER MOD Single : A 593 HIS : no HD1:sc= 0 K(o=0,f=-0.99) USER MOD Single : A 594 THR OG1 : rot 180:sc= 0 USER MOD Single : A 596 TYR OH : rot 180:sc= 0 USER MOD Single : A 597 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 599 LYS NZ :NH3+ -159:sc= -0.0669 (180deg=-0.422) USER MOD Single : A 603 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 604 MET CE :methyl -178:sc= -0.415 (180deg=-0.417) USER MOD Single : A 615 ASN : amide:sc= -0.201 X(o=-0.2,f=0) USER MOD Single : A 616 SER OG : rot 77:sc= 1.23 USER MOD Single : A 618 HIS : no HD1:sc= -0.0747 K(o=-0.075,f=-0.58) USER MOD Single : A 620 TYR OH : rot 180:sc= 0 USER MOD Single : A 621 LYS NZ :NH3+ -162:sc= -0.0268 (180deg=-0.278) USER MOD Single : A 624 SER OG : rot -46:sc= 0.107 USER MOD Single : A 626 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0253) USER MOD Single : A 630 SER OG : rot -10:sc= 0.831 USER MOD ----------------------------------------------------------------- ATOM 87 N ALA A 555 -6.789 11.999 5.254 1.00 0.00 N ATOM 88 CA ALA A 555 -6.939 11.301 3.983 1.00 0.00 C ATOM 89 C ALA A 555 -6.665 9.809 4.141 1.00 0.00 C ATOM 90 O ALA A 555 -5.543 9.403 4.442 1.00 0.00 O ATOM 91 CB ALA A 555 -6.011 11.903 2.938 1.00 0.00 C ATOM 0 HA ALA A 555 -7.970 11.421 3.649 1.00 0.00 H new ATOM 0 HB1 ALA A 555 -6.133 11.372 1.994 1.00 0.00 H new ATOM 0 HB2 ALA A 555 -6.256 12.956 2.797 1.00 0.00 H new ATOM 0 HB3 ALA A 555 -4.978 11.813 3.274 1.00 0.00 H new ATOM 97 N ASP A 556 -7.697 8.998 3.936 1.00 0.00 N ATOM 98 CA ASP A 556 -7.567 7.551 4.054 1.00 0.00 C ATOM 99 C ASP A 556 -7.476 6.898 2.678 1.00 0.00 C ATOM 100 O ASP A 556 -8.443 6.897 1.915 1.00 0.00 O ATOM 101 CB ASP A 556 -8.752 6.973 4.829 1.00 0.00 C ATOM 102 CG ASP A 556 -9.250 7.911 5.911 1.00 0.00 C ATOM 103 OD1 ASP A 556 -8.407 8.496 6.623 1.00 0.00 O ATOM 104 OD2 ASP A 556 -10.482 8.061 6.045 1.00 0.00 O ATOM 0 H ASP A 556 -8.633 9.318 3.687 1.00 0.00 H new ATOM 0 HA ASP A 556 -6.647 7.337 4.598 1.00 0.00 H new ATOM 0 HB2 ASP A 556 -9.565 6.758 4.136 1.00 0.00 H new ATOM 0 HB3 ASP A 556 -8.459 6.025 5.281 1.00 0.00 H new ATOM 109 N VAL A 557 -6.308 6.346 2.367 1.00 0.00 N ATOM 110 CA VAL A 557 -6.091 5.690 1.083 1.00 0.00 C ATOM 111 C VAL A 557 -6.310 4.185 1.190 1.00 0.00 C ATOM 112 O VAL A 557 -5.474 3.464 1.734 1.00 0.00 O ATOM 113 CB VAL A 557 -4.669 5.954 0.551 1.00 0.00 C ATOM 114 CG1 VAL A 557 -4.457 5.249 -0.780 1.00 0.00 C ATOM 115 CG2 VAL A 557 -4.420 7.449 0.418 1.00 0.00 C ATOM 0 H VAL A 557 -5.498 6.340 2.986 1.00 0.00 H new ATOM 0 HA VAL A 557 -6.816 6.111 0.386 1.00 0.00 H new ATOM 0 HB VAL A 557 -3.951 5.551 1.266 1.00 0.00 H new ATOM 0 HG11 VAL A 557 -3.447 5.447 -1.140 1.00 0.00 H new ATOM 0 HG12 VAL A 557 -4.591 4.175 -0.648 1.00 0.00 H new ATOM 0 HG13 VAL A 557 -5.180 5.619 -1.507 1.00 0.00 H new ATOM 0 HG21 VAL A 557 -3.411 7.618 0.041 1.00 0.00 H new ATOM 0 HG22 VAL A 557 -5.143 7.878 -0.276 1.00 0.00 H new ATOM 0 HG23 VAL A 557 -4.527 7.924 1.393 1.00 0.00 H new ATOM 125 N GLN A 558 -7.439 3.719 0.667 1.00 0.00 N ATOM 126 CA GLN A 558 -7.768 2.299 0.704 1.00 0.00 C ATOM 127 C GLN A 558 -6.977 1.529 -0.348 1.00 0.00 C ATOM 128 O GLN A 558 -7.132 1.758 -1.548 1.00 0.00 O ATOM 129 CB GLN A 558 -9.268 2.095 0.481 1.00 0.00 C ATOM 130 CG GLN A 558 -10.118 2.462 1.687 1.00 0.00 C ATOM 131 CD GLN A 558 -11.598 2.241 1.447 1.00 0.00 C ATOM 132 OE1 GLN A 558 -12.132 2.616 0.403 1.00 0.00 O ATOM 133 NE2 GLN A 558 -12.270 1.628 2.414 1.00 0.00 N ATOM 0 H GLN A 558 -8.141 4.303 0.213 1.00 0.00 H new ATOM 0 HA GLN A 558 -7.498 1.915 1.688 1.00 0.00 H new ATOM 0 HB2 GLN A 558 -9.585 2.695 -0.372 1.00 0.00 H new ATOM 0 HB3 GLN A 558 -9.450 1.052 0.223 1.00 0.00 H new ATOM 0 HG2 GLN A 558 -9.800 1.869 2.545 1.00 0.00 H new ATOM 0 HG3 GLN A 558 -9.947 3.508 1.942 1.00 0.00 H new ATOM 0 HE21 GLN A 558 -11.787 1.334 3.263 1.00 0.00 H new ATOM 0 HE22 GLN A 558 -13.269 1.451 2.308 1.00 0.00 H new ATOM 142 N VAL A 559 -6.127 0.615 0.110 1.00 0.00 N ATOM 143 CA VAL A 559 -5.311 -0.190 -0.792 1.00 0.00 C ATOM 144 C VAL A 559 -5.711 -1.660 -0.730 1.00 0.00 C ATOM 145 O VAL A 559 -5.731 -2.264 0.342 1.00 0.00 O ATOM 146 CB VAL A 559 -3.813 -0.062 -0.458 1.00 0.00 C ATOM 147 CG1 VAL A 559 -2.974 -0.842 -1.458 1.00 0.00 C ATOM 148 CG2 VAL A 559 -3.397 1.401 -0.427 1.00 0.00 C ATOM 0 H VAL A 559 -5.986 0.414 1.100 1.00 0.00 H new ATOM 0 HA VAL A 559 -5.485 0.188 -1.799 1.00 0.00 H new ATOM 0 HB VAL A 559 -3.642 -0.486 0.532 1.00 0.00 H new ATOM 0 HG11 VAL A 559 -1.919 -0.740 -1.206 1.00 0.00 H new ATOM 0 HG12 VAL A 559 -3.254 -1.895 -1.425 1.00 0.00 H new ATOM 0 HG13 VAL A 559 -3.147 -0.451 -2.461 1.00 0.00 H new ATOM 0 HG21 VAL A 559 -2.336 1.473 -0.189 1.00 0.00 H new ATOM 0 HG22 VAL A 559 -3.582 1.853 -1.402 1.00 0.00 H new ATOM 0 HG23 VAL A 559 -3.975 1.928 0.332 1.00 0.00 H new ATOM 158 N SER A 560 -6.027 -2.230 -1.889 1.00 0.00 N ATOM 159 CA SER A 560 -6.429 -3.629 -1.967 1.00 0.00 C ATOM 160 C SER A 560 -5.567 -4.388 -2.971 1.00 0.00 C ATOM 161 O SER A 560 -4.818 -3.787 -3.740 1.00 0.00 O ATOM 162 CB SER A 560 -7.904 -3.737 -2.360 1.00 0.00 C ATOM 163 OG SER A 560 -8.684 -2.764 -1.687 1.00 0.00 O ATOM 0 H SER A 560 -6.012 -1.744 -2.786 1.00 0.00 H new ATOM 0 HA SER A 560 -6.288 -4.076 -0.983 1.00 0.00 H new ATOM 0 HB2 SER A 560 -8.007 -3.608 -3.437 1.00 0.00 H new ATOM 0 HB3 SER A 560 -8.275 -4.734 -2.121 1.00 0.00 H new ATOM 0 HG SER A 560 -9.622 -2.853 -1.957 1.00 0.00 H new ATOM 169 N ASN A 561 -5.679 -5.712 -2.957 1.00 0.00 N ATOM 170 CA ASN A 561 -4.909 -6.554 -3.865 1.00 0.00 C ATOM 171 C ASN A 561 -3.421 -6.495 -3.533 1.00 0.00 C ATOM 172 O ASN A 561 -2.576 -6.462 -4.427 1.00 0.00 O ATOM 173 CB ASN A 561 -5.137 -6.118 -5.314 1.00 0.00 C ATOM 174 CG ASN A 561 -5.048 -7.277 -6.288 1.00 0.00 C ATOM 175 OD1 ASN A 561 -3.849 -7.529 -6.799 1.00 0.00 O flip ATOM 176 ND2 ASN A 561 -6.046 -7.938 -6.576 1.00 0.00 N flip ATOM 0 H ASN A 561 -6.296 -6.225 -2.327 1.00 0.00 H new ATOM 0 HA ASN A 561 -5.249 -7.582 -3.743 1.00 0.00 H new ATOM 0 HB2 ASN A 561 -6.118 -5.650 -5.400 1.00 0.00 H new ATOM 0 HB3 ASN A 561 -4.399 -5.363 -5.584 1.00 0.00 H new ATOM 0 HD21 ASN A 561 -6.948 -7.708 -6.159 1.00 0.00 H new ATOM 0 HD22 ASN A 561 -5.971 -8.715 -7.232 1.00 0.00 H new ATOM 183 N ILE A 562 -3.110 -6.484 -2.241 1.00 0.00 N ATOM 184 CA ILE A 562 -1.724 -6.431 -1.790 1.00 0.00 C ATOM 185 C ILE A 562 -1.170 -7.832 -1.552 1.00 0.00 C ATOM 186 O ILE A 562 -1.687 -8.583 -0.725 1.00 0.00 O ATOM 187 CB ILE A 562 -1.584 -5.609 -0.496 1.00 0.00 C ATOM 188 CG1 ILE A 562 -2.097 -4.184 -0.713 1.00 0.00 C ATOM 189 CG2 ILE A 562 -0.135 -5.592 -0.034 1.00 0.00 C ATOM 190 CD1 ILE A 562 -2.397 -3.447 0.573 1.00 0.00 C ATOM 0 H ILE A 562 -3.798 -6.511 -1.489 1.00 0.00 H new ATOM 0 HA ILE A 562 -1.153 -5.946 -2.582 1.00 0.00 H new ATOM 0 HB ILE A 562 -2.187 -6.077 0.282 1.00 0.00 H new ATOM 0 HG12 ILE A 562 -1.355 -3.622 -1.280 1.00 0.00 H new ATOM 0 HG13 ILE A 562 -3.001 -4.221 -1.321 1.00 0.00 H new ATOM 0 HG21 ILE A 562 -0.052 -5.007 0.882 1.00 0.00 H new ATOM 0 HG22 ILE A 562 0.198 -6.612 0.156 1.00 0.00 H new ATOM 0 HG23 ILE A 562 0.488 -5.145 -0.808 1.00 0.00 H new ATOM 0 HD11 ILE A 562 -2.756 -2.444 0.342 1.00 0.00 H new ATOM 0 HD12 ILE A 562 -3.162 -3.987 1.132 1.00 0.00 H new ATOM 0 HD13 ILE A 562 -1.490 -3.378 1.173 1.00 0.00 H new ATOM 202 N ASP A 563 -0.115 -8.176 -2.281 1.00 0.00 N ATOM 203 CA ASP A 563 0.512 -9.486 -2.148 1.00 0.00 C ATOM 204 C ASP A 563 0.626 -9.887 -0.680 1.00 0.00 C ATOM 205 O ASP A 563 1.276 -9.205 0.112 1.00 0.00 O ATOM 206 CB ASP A 563 1.898 -9.480 -2.796 1.00 0.00 C ATOM 207 CG ASP A 563 2.718 -10.699 -2.421 1.00 0.00 C ATOM 208 OD1 ASP A 563 2.151 -11.631 -1.813 1.00 0.00 O ATOM 209 OD2 ASP A 563 3.927 -10.721 -2.734 1.00 0.00 O ATOM 0 H ASP A 563 0.325 -7.566 -2.970 1.00 0.00 H new ATOM 0 HA ASP A 563 -0.116 -10.216 -2.658 1.00 0.00 H new ATOM 0 HB2 ASP A 563 1.789 -9.438 -3.880 1.00 0.00 H new ATOM 0 HB3 ASP A 563 2.433 -8.579 -2.495 1.00 0.00 H new ATOM 214 N TYR A 564 -0.012 -10.997 -0.325 1.00 0.00 N ATOM 215 CA TYR A 564 0.014 -11.487 1.048 1.00 0.00 C ATOM 216 C TYR A 564 1.346 -12.163 1.360 1.00 0.00 C ATOM 217 O TYR A 564 1.912 -11.976 2.437 1.00 0.00 O ATOM 218 CB TYR A 564 -1.136 -12.468 1.284 1.00 0.00 C ATOM 219 CG TYR A 564 -1.312 -13.474 0.169 1.00 0.00 C ATOM 220 CD1 TYR A 564 -1.985 -13.136 -0.999 1.00 0.00 C ATOM 221 CD2 TYR A 564 -0.803 -14.762 0.283 1.00 0.00 C ATOM 222 CE1 TYR A 564 -2.148 -14.052 -2.020 1.00 0.00 C ATOM 223 CE2 TYR A 564 -0.961 -15.684 -0.734 1.00 0.00 C ATOM 224 CZ TYR A 564 -1.634 -15.325 -1.882 1.00 0.00 C ATOM 225 OH TYR A 564 -1.794 -16.240 -2.898 1.00 0.00 O ATOM 0 H TYR A 564 -0.553 -11.574 -0.969 1.00 0.00 H new ATOM 0 HA TYR A 564 -0.104 -10.632 1.714 1.00 0.00 H new ATOM 0 HB2 TYR A 564 -0.962 -13.001 2.219 1.00 0.00 H new ATOM 0 HB3 TYR A 564 -2.062 -11.907 1.405 1.00 0.00 H new ATOM 0 HD1 TYR A 564 -2.387 -12.140 -1.110 1.00 0.00 H new ATOM 0 HD2 TYR A 564 -0.275 -15.047 1.181 1.00 0.00 H new ATOM 0 HE1 TYR A 564 -2.675 -13.773 -2.921 1.00 0.00 H new ATOM 0 HE2 TYR A 564 -0.559 -16.681 -0.630 1.00 0.00 H new ATOM 0 HH TYR A 564 -1.373 -17.088 -2.644 1.00 0.00 H new ATOM 235 N ARG A 565 1.840 -12.948 0.409 1.00 0.00 N ATOM 236 CA ARG A 565 3.105 -13.653 0.581 1.00 0.00 C ATOM 237 C ARG A 565 4.078 -12.828 1.418 1.00 0.00 C ATOM 238 O ARG A 565 4.679 -13.331 2.368 1.00 0.00 O ATOM 239 CB ARG A 565 3.727 -13.969 -0.781 1.00 0.00 C ATOM 240 CG ARG A 565 2.792 -14.714 -1.719 1.00 0.00 C ATOM 241 CD ARG A 565 3.481 -15.065 -3.029 1.00 0.00 C ATOM 242 NE ARG A 565 4.335 -16.242 -2.899 1.00 0.00 N ATOM 243 CZ ARG A 565 5.171 -16.652 -3.846 1.00 0.00 C ATOM 244 NH1 ARG A 565 5.263 -15.984 -4.988 1.00 0.00 N ATOM 245 NH2 ARG A 565 5.916 -17.733 -3.654 1.00 0.00 N ATOM 0 H ARG A 565 1.384 -13.112 -0.489 1.00 0.00 H new ATOM 0 HA ARG A 565 2.903 -14.587 1.106 1.00 0.00 H new ATOM 0 HB2 ARG A 565 4.037 -13.037 -1.255 1.00 0.00 H new ATOM 0 HB3 ARG A 565 4.627 -14.565 -0.630 1.00 0.00 H new ATOM 0 HG2 ARG A 565 2.440 -15.626 -1.236 1.00 0.00 H new ATOM 0 HG3 ARG A 565 1.914 -14.101 -1.921 1.00 0.00 H new ATOM 0 HD2 ARG A 565 2.729 -15.246 -3.797 1.00 0.00 H new ATOM 0 HD3 ARG A 565 4.080 -14.217 -3.362 1.00 0.00 H new ATOM 0 HE ARG A 565 4.287 -16.779 -2.033 1.00 0.00 H new ATOM 0 HH11 ARG A 565 4.691 -15.153 -5.140 1.00 0.00 H new ATOM 0 HH12 ARG A 565 5.906 -16.301 -5.714 1.00 0.00 H new ATOM 0 HH21 ARG A 565 5.847 -18.251 -2.778 1.00 0.00 H new ATOM 0 HH22 ARG A 565 6.557 -18.046 -4.383 1.00 0.00 H new ATOM 259 N LEU A 566 4.229 -11.558 1.058 1.00 0.00 N ATOM 260 CA LEU A 566 5.129 -10.662 1.775 1.00 0.00 C ATOM 261 C LEU A 566 4.692 -10.497 3.227 1.00 0.00 C ATOM 262 O LEU A 566 3.498 -10.452 3.525 1.00 0.00 O ATOM 263 CB LEU A 566 5.177 -9.297 1.087 1.00 0.00 C ATOM 264 CG LEU A 566 5.731 -9.283 -0.339 1.00 0.00 C ATOM 265 CD1 LEU A 566 5.606 -7.894 -0.946 1.00 0.00 C ATOM 266 CD2 LEU A 566 7.181 -9.744 -0.352 1.00 0.00 C ATOM 0 H LEU A 566 3.740 -11.126 0.274 1.00 0.00 H new ATOM 0 HA LEU A 566 6.126 -11.103 1.763 1.00 0.00 H new ATOM 0 HB2 LEU A 566 4.167 -8.887 1.067 1.00 0.00 H new ATOM 0 HB3 LEU A 566 5.782 -8.626 1.697 1.00 0.00 H new ATOM 0 HG LEU A 566 5.145 -9.976 -0.943 1.00 0.00 H new ATOM 0 HD11 LEU A 566 6.005 -7.903 -1.960 1.00 0.00 H new ATOM 0 HD12 LEU A 566 4.556 -7.601 -0.972 1.00 0.00 H new ATOM 0 HD13 LEU A 566 6.167 -7.181 -0.342 1.00 0.00 H new ATOM 0 HD21 LEU A 566 7.559 -9.728 -1.374 1.00 0.00 H new ATOM 0 HD22 LEU A 566 7.781 -9.077 0.267 1.00 0.00 H new ATOM 0 HD23 LEU A 566 7.244 -10.758 0.042 1.00 0.00 H new ATOM 278 N SER A 567 5.666 -10.404 4.127 1.00 0.00 N ATOM 279 CA SER A 567 5.381 -10.245 5.548 1.00 0.00 C ATOM 280 C SER A 567 4.695 -8.910 5.819 1.00 0.00 C ATOM 281 O SER A 567 4.904 -7.934 5.097 1.00 0.00 O ATOM 282 CB SER A 567 6.672 -10.343 6.362 1.00 0.00 C ATOM 283 OG SER A 567 7.375 -11.536 6.064 1.00 0.00 O ATOM 0 H SER A 567 6.659 -10.436 3.897 1.00 0.00 H new ATOM 0 HA SER A 567 4.707 -11.047 5.850 1.00 0.00 H new ATOM 0 HB2 SER A 567 7.305 -9.482 6.150 1.00 0.00 H new ATOM 0 HB3 SER A 567 6.438 -10.312 7.426 1.00 0.00 H new ATOM 0 HG SER A 567 8.197 -11.573 6.596 1.00 0.00 H new ATOM 289 N ARG A 568 3.875 -8.874 6.864 1.00 0.00 N ATOM 290 CA ARG A 568 3.157 -7.659 7.230 1.00 0.00 C ATOM 291 C ARG A 568 4.117 -6.483 7.377 1.00 0.00 C ATOM 292 O ARG A 568 3.841 -5.379 6.906 1.00 0.00 O ATOM 293 CB ARG A 568 2.388 -7.870 8.536 1.00 0.00 C ATOM 294 CG ARG A 568 1.302 -8.929 8.440 1.00 0.00 C ATOM 295 CD ARG A 568 0.153 -8.636 9.392 1.00 0.00 C ATOM 296 NE ARG A 568 -0.504 -9.858 9.849 1.00 0.00 N ATOM 297 CZ ARG A 568 0.094 -10.778 10.598 1.00 0.00 C ATOM 298 NH1 ARG A 568 1.355 -10.614 10.974 1.00 0.00 N ATOM 299 NH2 ARG A 568 -0.570 -11.863 10.975 1.00 0.00 N ATOM 0 H ARG A 568 3.691 -9.672 7.472 1.00 0.00 H new ATOM 0 HA ARG A 568 2.450 -7.431 6.432 1.00 0.00 H new ATOM 0 HB2 ARG A 568 3.091 -8.153 9.320 1.00 0.00 H new ATOM 0 HB3 ARG A 568 1.936 -6.925 8.838 1.00 0.00 H new ATOM 0 HG2 ARG A 568 0.926 -8.975 7.418 1.00 0.00 H new ATOM 0 HG3 ARG A 568 1.725 -9.907 8.668 1.00 0.00 H new ATOM 0 HD2 ARG A 568 0.528 -8.082 10.253 1.00 0.00 H new ATOM 0 HD3 ARG A 568 -0.576 -7.997 8.894 1.00 0.00 H new ATOM 0 HE ARG A 568 -1.475 -10.013 9.578 1.00 0.00 H new ATOM 0 HH11 ARG A 568 1.868 -9.780 10.688 1.00 0.00 H new ATOM 0 HH12 ARG A 568 1.812 -11.322 11.549 1.00 0.00 H new ATOM 0 HH21 ARG A 568 -1.541 -11.992 10.690 1.00 0.00 H new ATOM 0 HH22 ARG A 568 -0.110 -12.569 11.550 1.00 0.00 H new ATOM 313 N LYS A 569 5.246 -6.726 8.034 1.00 0.00 N ATOM 314 CA LYS A 569 6.249 -5.688 8.242 1.00 0.00 C ATOM 315 C LYS A 569 6.848 -5.235 6.915 1.00 0.00 C ATOM 316 O LYS A 569 7.000 -4.039 6.669 1.00 0.00 O ATOM 317 CB LYS A 569 7.357 -6.200 9.166 1.00 0.00 C ATOM 318 CG LYS A 569 8.045 -7.454 8.655 1.00 0.00 C ATOM 319 CD LYS A 569 9.234 -7.831 9.522 1.00 0.00 C ATOM 320 CE LYS A 569 8.820 -8.736 10.672 1.00 0.00 C ATOM 321 NZ LYS A 569 8.444 -7.957 11.884 1.00 0.00 N ATOM 0 H LYS A 569 5.490 -7.633 8.432 1.00 0.00 H new ATOM 0 HA LYS A 569 5.760 -4.833 8.709 1.00 0.00 H new ATOM 0 HB2 LYS A 569 8.102 -5.415 9.296 1.00 0.00 H new ATOM 0 HB3 LYS A 569 6.933 -6.403 10.149 1.00 0.00 H new ATOM 0 HG2 LYS A 569 7.332 -8.278 8.635 1.00 0.00 H new ATOM 0 HG3 LYS A 569 8.378 -7.295 7.629 1.00 0.00 H new ATOM 0 HD2 LYS A 569 9.985 -8.335 8.913 1.00 0.00 H new ATOM 0 HD3 LYS A 569 9.698 -6.928 9.917 1.00 0.00 H new ATOM 0 HE2 LYS A 569 7.978 -9.354 10.362 1.00 0.00 H new ATOM 0 HE3 LYS A 569 9.640 -9.412 10.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 569 9.139 -8.131 12.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 569 8.430 -6.943 11.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 569 7.501 -8.252 12.207 1.00 0.00 H new ATOM 335 N GLU A 570 7.185 -6.199 6.063 1.00 0.00 N ATOM 336 CA GLU A 570 7.766 -5.897 4.760 1.00 0.00 C ATOM 337 C GLU A 570 6.834 -5.010 3.940 1.00 0.00 C ATOM 338 O GLU A 570 7.276 -4.076 3.270 1.00 0.00 O ATOM 339 CB GLU A 570 8.061 -7.190 3.997 1.00 0.00 C ATOM 340 CG GLU A 570 8.976 -6.995 2.800 1.00 0.00 C ATOM 341 CD GLU A 570 10.377 -6.572 3.199 1.00 0.00 C ATOM 342 OE1 GLU A 570 11.060 -7.360 3.886 1.00 0.00 O ATOM 343 OE2 GLU A 570 10.789 -5.454 2.826 1.00 0.00 O ATOM 0 H GLU A 570 7.066 -7.194 6.252 1.00 0.00 H new ATOM 0 HA GLU A 570 8.700 -5.359 4.923 1.00 0.00 H new ATOM 0 HB2 GLU A 570 8.517 -7.908 4.679 1.00 0.00 H new ATOM 0 HB3 GLU A 570 7.121 -7.624 3.658 1.00 0.00 H new ATOM 0 HG2 GLU A 570 9.029 -7.924 2.233 1.00 0.00 H new ATOM 0 HG3 GLU A 570 8.548 -6.242 2.139 1.00 0.00 H new ATOM 350 N LEU A 571 5.541 -5.310 3.998 1.00 0.00 N ATOM 351 CA LEU A 571 4.544 -4.541 3.261 1.00 0.00 C ATOM 352 C LEU A 571 4.381 -3.147 3.858 1.00 0.00 C ATOM 353 O LEU A 571 4.465 -2.144 3.149 1.00 0.00 O ATOM 354 CB LEU A 571 3.200 -5.272 3.268 1.00 0.00 C ATOM 355 CG LEU A 571 3.098 -6.497 2.359 1.00 0.00 C ATOM 356 CD1 LEU A 571 1.826 -7.277 2.656 1.00 0.00 C ATOM 357 CD2 LEU A 571 3.143 -6.082 0.896 1.00 0.00 C ATOM 0 H LEU A 571 5.159 -6.080 4.547 1.00 0.00 H new ATOM 0 HA LEU A 571 4.889 -4.437 2.232 1.00 0.00 H new ATOM 0 HB2 LEU A 571 2.984 -5.584 4.290 1.00 0.00 H new ATOM 0 HB3 LEU A 571 2.423 -4.564 2.979 1.00 0.00 H new ATOM 0 HG LEU A 571 3.952 -7.145 2.557 1.00 0.00 H new ATOM 0 HD11 LEU A 571 1.770 -8.145 2.000 1.00 0.00 H new ATOM 0 HD12 LEU A 571 1.836 -7.607 3.695 1.00 0.00 H new ATOM 0 HD13 LEU A 571 0.959 -6.638 2.487 1.00 0.00 H new ATOM 0 HD21 LEU A 571 3.069 -6.967 0.264 1.00 0.00 H new ATOM 0 HD22 LEU A 571 2.310 -5.413 0.682 1.00 0.00 H new ATOM 0 HD23 LEU A 571 4.082 -5.568 0.692 1.00 0.00 H new ATOM 369 N GLN A 572 4.149 -3.092 5.166 1.00 0.00 N ATOM 370 CA GLN A 572 3.976 -1.820 5.858 1.00 0.00 C ATOM 371 C GLN A 572 4.984 -0.789 5.362 1.00 0.00 C ATOM 372 O GLN A 572 4.607 0.269 4.858 1.00 0.00 O ATOM 373 CB GLN A 572 4.126 -2.013 7.368 1.00 0.00 C ATOM 374 CG GLN A 572 2.845 -2.460 8.054 1.00 0.00 C ATOM 375 CD GLN A 572 1.992 -1.294 8.513 1.00 0.00 C ATOM 376 OE1 GLN A 572 0.816 -1.194 8.162 1.00 0.00 O ATOM 377 NE2 GLN A 572 2.581 -0.403 9.302 1.00 0.00 N ATOM 0 H GLN A 572 4.077 -3.913 5.767 1.00 0.00 H new ATOM 0 HA GLN A 572 2.973 -1.452 5.644 1.00 0.00 H new ATOM 0 HB2 GLN A 572 4.906 -2.751 7.556 1.00 0.00 H new ATOM 0 HB3 GLN A 572 4.460 -1.076 7.814 1.00 0.00 H new ATOM 0 HG2 GLN A 572 2.267 -3.080 7.368 1.00 0.00 H new ATOM 0 HG3 GLN A 572 3.095 -3.083 8.913 1.00 0.00 H new ATOM 0 HE21 GLN A 572 3.558 -0.525 9.568 1.00 0.00 H new ATOM 0 HE22 GLN A 572 2.056 0.403 9.642 1.00 0.00 H new ATOM 386 N GLN A 573 6.267 -1.105 5.509 1.00 0.00 N ATOM 387 CA GLN A 573 7.329 -0.204 5.077 1.00 0.00 C ATOM 388 C GLN A 573 7.204 0.111 3.590 1.00 0.00 C ATOM 389 O GLN A 573 7.237 1.275 3.186 1.00 0.00 O ATOM 390 CB GLN A 573 8.699 -0.821 5.365 1.00 0.00 C ATOM 391 CG GLN A 573 8.928 -2.150 4.663 1.00 0.00 C ATOM 392 CD GLN A 573 10.260 -2.778 5.022 1.00 0.00 C ATOM 393 OE1 GLN A 573 10.327 -3.695 5.841 1.00 0.00 O ATOM 394 NE2 GLN A 573 11.331 -2.285 4.410 1.00 0.00 N ATOM 0 H GLN A 573 6.596 -1.977 5.923 1.00 0.00 H new ATOM 0 HA GLN A 573 7.232 0.726 5.637 1.00 0.00 H new ATOM 0 HB2 GLN A 573 9.475 -0.120 5.059 1.00 0.00 H new ATOM 0 HB3 GLN A 573 8.805 -0.965 6.440 1.00 0.00 H new ATOM 0 HG2 GLN A 573 8.124 -2.838 4.925 1.00 0.00 H new ATOM 0 HG3 GLN A 573 8.880 -2.000 3.584 1.00 0.00 H new ATOM 0 HE21 GLN A 573 11.229 -1.525 3.738 1.00 0.00 H new ATOM 0 HE22 GLN A 573 12.255 -2.667 4.612 1.00 0.00 H new ATOM 403 N LEU A 574 7.060 -0.931 2.779 1.00 0.00 N ATOM 404 CA LEU A 574 6.930 -0.765 1.335 1.00 0.00 C ATOM 405 C LEU A 574 5.880 0.290 1.001 1.00 0.00 C ATOM 406 O LEU A 574 6.195 1.337 0.434 1.00 0.00 O ATOM 407 CB LEU A 574 6.558 -2.097 0.681 1.00 0.00 C ATOM 408 CG LEU A 574 7.699 -3.100 0.505 1.00 0.00 C ATOM 409 CD1 LEU A 574 7.151 -4.474 0.152 1.00 0.00 C ATOM 410 CD2 LEU A 574 8.670 -2.621 -0.563 1.00 0.00 C ATOM 0 H LEU A 574 7.030 -1.900 3.096 1.00 0.00 H new ATOM 0 HA LEU A 574 7.891 -0.431 0.944 1.00 0.00 H new ATOM 0 HB2 LEU A 574 5.777 -2.567 1.279 1.00 0.00 H new ATOM 0 HB3 LEU A 574 6.128 -1.890 -0.299 1.00 0.00 H new ATOM 0 HG LEU A 574 8.238 -3.178 1.449 1.00 0.00 H new ATOM 0 HD11 LEU A 574 7.977 -5.175 0.030 1.00 0.00 H new ATOM 0 HD12 LEU A 574 6.496 -4.821 0.951 1.00 0.00 H new ATOM 0 HD13 LEU A 574 6.587 -4.413 -0.779 1.00 0.00 H new ATOM 0 HD21 LEU A 574 9.475 -3.347 -0.675 1.00 0.00 H new ATOM 0 HD22 LEU A 574 8.144 -2.514 -1.512 1.00 0.00 H new ATOM 0 HD23 LEU A 574 9.088 -1.658 -0.269 1.00 0.00 H new ATOM 422 N LEU A 575 4.632 0.008 1.357 1.00 0.00 N ATOM 423 CA LEU A 575 3.535 0.934 1.097 1.00 0.00 C ATOM 424 C LEU A 575 3.913 2.355 1.502 1.00 0.00 C ATOM 425 O LEU A 575 3.800 3.287 0.707 1.00 0.00 O ATOM 426 CB LEU A 575 2.279 0.493 1.852 1.00 0.00 C ATOM 427 CG LEU A 575 1.610 -0.787 1.352 1.00 0.00 C ATOM 428 CD1 LEU A 575 0.686 -1.358 2.417 1.00 0.00 C ATOM 429 CD2 LEU A 575 0.842 -0.520 0.065 1.00 0.00 C ATOM 0 H LEU A 575 4.354 -0.854 1.826 1.00 0.00 H new ATOM 0 HA LEU A 575 3.330 0.924 0.026 1.00 0.00 H new ATOM 0 HB2 LEU A 575 2.539 0.357 2.902 1.00 0.00 H new ATOM 0 HB3 LEU A 575 1.550 1.302 1.807 1.00 0.00 H new ATOM 0 HG LEU A 575 2.387 -1.522 1.142 1.00 0.00 H new ATOM 0 HD11 LEU A 575 0.219 -2.269 2.043 1.00 0.00 H new ATOM 0 HD12 LEU A 575 1.262 -1.587 3.313 1.00 0.00 H new ATOM 0 HD13 LEU A 575 -0.086 -0.627 2.659 1.00 0.00 H new ATOM 0 HD21 LEU A 575 0.372 -1.442 -0.276 1.00 0.00 H new ATOM 0 HD22 LEU A 575 0.074 0.232 0.249 1.00 0.00 H new ATOM 0 HD23 LEU A 575 1.529 -0.158 -0.700 1.00 0.00 H new ATOM 441 N GLN A 576 4.364 2.510 2.743 1.00 0.00 N ATOM 442 CA GLN A 576 4.761 3.818 3.252 1.00 0.00 C ATOM 443 C GLN A 576 5.773 4.480 2.323 1.00 0.00 C ATOM 444 O GLN A 576 5.659 5.665 2.011 1.00 0.00 O ATOM 445 CB GLN A 576 5.352 3.683 4.656 1.00 0.00 C ATOM 446 CG GLN A 576 5.808 5.005 5.254 1.00 0.00 C ATOM 447 CD GLN A 576 5.883 4.966 6.767 1.00 0.00 C ATOM 448 OE1 GLN A 576 5.301 4.090 7.407 1.00 0.00 O ATOM 449 NE2 GLN A 576 6.603 5.918 7.349 1.00 0.00 N ATOM 0 H GLN A 576 4.463 1.748 3.413 1.00 0.00 H new ATOM 0 HA GLN A 576 3.872 4.447 3.298 1.00 0.00 H new ATOM 0 HB2 GLN A 576 4.607 3.234 5.313 1.00 0.00 H new ATOM 0 HB3 GLN A 576 6.199 2.998 4.620 1.00 0.00 H new ATOM 0 HG2 GLN A 576 6.788 5.262 4.852 1.00 0.00 H new ATOM 0 HG3 GLN A 576 5.121 5.794 4.948 1.00 0.00 H new ATOM 0 HE21 GLN A 576 7.069 6.625 6.780 1.00 0.00 H new ATOM 0 HE22 GLN A 576 6.690 5.942 8.365 1.00 0.00 H new ATOM 458 N GLU A 577 6.761 3.707 1.885 1.00 0.00 N ATOM 459 CA GLU A 577 7.793 4.220 0.992 1.00 0.00 C ATOM 460 C GLU A 577 7.176 4.788 -0.283 1.00 0.00 C ATOM 461 O GLU A 577 7.424 5.937 -0.647 1.00 0.00 O ATOM 462 CB GLU A 577 8.791 3.114 0.640 1.00 0.00 C ATOM 463 CG GLU A 577 9.772 2.801 1.757 1.00 0.00 C ATOM 464 CD GLU A 577 10.583 4.012 2.178 1.00 0.00 C ATOM 465 OE1 GLU A 577 11.411 4.482 1.370 1.00 0.00 O ATOM 466 OE2 GLU A 577 10.388 4.490 3.315 1.00 0.00 O ATOM 0 H GLU A 577 6.869 2.724 2.134 1.00 0.00 H new ATOM 0 HA GLU A 577 8.319 5.022 1.510 1.00 0.00 H new ATOM 0 HB2 GLU A 577 8.241 2.208 0.386 1.00 0.00 H new ATOM 0 HB3 GLU A 577 9.348 3.409 -0.249 1.00 0.00 H new ATOM 0 HG2 GLU A 577 9.226 2.417 2.618 1.00 0.00 H new ATOM 0 HG3 GLU A 577 10.448 2.011 1.431 1.00 0.00 H new ATOM 473 N ALA A 578 6.372 3.973 -0.958 1.00 0.00 N ATOM 474 CA ALA A 578 5.719 4.394 -2.191 1.00 0.00 C ATOM 475 C ALA A 578 4.929 5.682 -1.982 1.00 0.00 C ATOM 476 O ALA A 578 5.224 6.709 -2.595 1.00 0.00 O ATOM 477 CB ALA A 578 4.806 3.292 -2.708 1.00 0.00 C ATOM 0 H ALA A 578 6.157 3.018 -0.672 1.00 0.00 H new ATOM 0 HA ALA A 578 6.493 4.589 -2.934 1.00 0.00 H new ATOM 0 HB1 ALA A 578 4.325 3.620 -3.629 1.00 0.00 H new ATOM 0 HB2 ALA A 578 5.394 2.395 -2.905 1.00 0.00 H new ATOM 0 HB3 ALA A 578 4.045 3.070 -1.960 1.00 0.00 H new ATOM 483 N PHE A 579 3.925 5.621 -1.114 1.00 0.00 N ATOM 484 CA PHE A 579 3.092 6.783 -0.826 1.00 0.00 C ATOM 485 C PHE A 579 3.944 7.961 -0.361 1.00 0.00 C ATOM 486 O PHE A 579 3.628 9.117 -0.641 1.00 0.00 O ATOM 487 CB PHE A 579 2.052 6.438 0.242 1.00 0.00 C ATOM 488 CG PHE A 579 0.900 5.630 -0.282 1.00 0.00 C ATOM 489 CD1 PHE A 579 -0.127 6.239 -0.987 1.00 0.00 C ATOM 490 CD2 PHE A 579 0.843 4.262 -0.072 1.00 0.00 C ATOM 491 CE1 PHE A 579 -1.189 5.497 -1.469 1.00 0.00 C ATOM 492 CE2 PHE A 579 -0.216 3.515 -0.553 1.00 0.00 C ATOM 493 CZ PHE A 579 -1.233 4.134 -1.253 1.00 0.00 C ATOM 0 H PHE A 579 3.668 4.780 -0.598 1.00 0.00 H new ATOM 0 HA PHE A 579 2.579 7.069 -1.744 1.00 0.00 H new ATOM 0 HB2 PHE A 579 2.538 5.884 1.045 1.00 0.00 H new ATOM 0 HB3 PHE A 579 1.670 7.361 0.677 1.00 0.00 H new ATOM 0 HD1 PHE A 579 -0.097 7.304 -1.161 1.00 0.00 H new ATOM 0 HD2 PHE A 579 1.636 3.773 0.474 1.00 0.00 H new ATOM 0 HE1 PHE A 579 -1.984 5.983 -2.014 1.00 0.00 H new ATOM 0 HE2 PHE A 579 -0.248 2.449 -0.382 1.00 0.00 H new ATOM 0 HZ PHE A 579 -2.061 3.553 -1.631 1.00 0.00 H new ATOM 503 N ALA A 580 5.024 7.658 0.351 1.00 0.00 N ATOM 504 CA ALA A 580 5.922 8.690 0.854 1.00 0.00 C ATOM 505 C ALA A 580 6.533 9.491 -0.291 1.00 0.00 C ATOM 506 O ALA A 580 6.660 10.713 -0.208 1.00 0.00 O ATOM 507 CB ALA A 580 7.016 8.068 1.708 1.00 0.00 C ATOM 0 H ALA A 580 5.298 6.706 0.593 1.00 0.00 H new ATOM 0 HA ALA A 580 5.340 9.374 1.472 1.00 0.00 H new ATOM 0 HB1 ALA A 580 7.679 8.851 2.077 1.00 0.00 H new ATOM 0 HB2 ALA A 580 6.566 7.546 2.552 1.00 0.00 H new ATOM 0 HB3 ALA A 580 7.588 7.361 1.108 1.00 0.00 H new ATOM 513 N ARG A 581 6.909 8.796 -1.359 1.00 0.00 N ATOM 514 CA ARG A 581 7.509 9.443 -2.520 1.00 0.00 C ATOM 515 C ARG A 581 6.587 10.524 -3.076 1.00 0.00 C ATOM 516 O ARG A 581 7.044 11.496 -3.678 1.00 0.00 O ATOM 517 CB ARG A 581 7.814 8.409 -3.606 1.00 0.00 C ATOM 518 CG ARG A 581 8.751 7.304 -3.148 1.00 0.00 C ATOM 519 CD ARG A 581 8.511 6.015 -3.918 1.00 0.00 C ATOM 520 NE ARG A 581 9.222 5.999 -5.194 1.00 0.00 N ATOM 521 CZ ARG A 581 9.176 4.983 -6.048 1.00 0.00 C ATOM 522 NH1 ARG A 581 8.456 3.906 -5.765 1.00 0.00 N ATOM 523 NH2 ARG A 581 9.850 5.043 -7.189 1.00 0.00 N ATOM 0 H ARG A 581 6.809 7.785 -1.445 1.00 0.00 H new ATOM 0 HA ARG A 581 8.441 9.912 -2.203 1.00 0.00 H new ATOM 0 HB2 ARG A 581 6.879 7.964 -3.945 1.00 0.00 H new ATOM 0 HB3 ARG A 581 8.255 8.915 -4.464 1.00 0.00 H new ATOM 0 HG2 ARG A 581 9.785 7.623 -3.283 1.00 0.00 H new ATOM 0 HG3 ARG A 581 8.610 7.124 -2.082 1.00 0.00 H new ATOM 0 HD2 ARG A 581 8.832 5.167 -3.314 1.00 0.00 H new ATOM 0 HD3 ARG A 581 7.443 5.893 -4.097 1.00 0.00 H new ATOM 0 HE ARG A 581 9.785 6.813 -5.443 1.00 0.00 H new ATOM 0 HH11 ARG A 581 7.935 3.856 -4.889 1.00 0.00 H new ATOM 0 HH12 ARG A 581 8.423 3.127 -6.423 1.00 0.00 H new ATOM 0 HH21 ARG A 581 10.404 5.870 -7.411 1.00 0.00 H new ATOM 0 HH22 ARG A 581 9.814 4.262 -7.844 1.00 0.00 H new ATOM 537 N HIS A 582 5.285 10.347 -2.872 1.00 0.00 N ATOM 538 CA HIS A 582 4.298 11.307 -3.353 1.00 0.00 C ATOM 539 C HIS A 582 4.140 12.462 -2.369 1.00 0.00 C ATOM 540 O HIS A 582 4.484 13.603 -2.675 1.00 0.00 O ATOM 541 CB HIS A 582 2.950 10.619 -3.571 1.00 0.00 C ATOM 542 CG HIS A 582 2.958 9.631 -4.697 1.00 0.00 C ATOM 543 ND1 HIS A 582 3.344 9.955 -5.980 1.00 0.00 N ATOM 544 CD2 HIS A 582 2.624 8.320 -4.726 1.00 0.00 C ATOM 545 CE1 HIS A 582 3.247 8.886 -6.750 1.00 0.00 C ATOM 546 NE2 HIS A 582 2.812 7.880 -6.013 1.00 0.00 N ATOM 0 H HIS A 582 4.889 9.548 -2.377 1.00 0.00 H new ATOM 0 HA HIS A 582 4.650 11.708 -4.303 1.00 0.00 H new ATOM 0 HB2 HIS A 582 2.659 10.109 -2.653 1.00 0.00 H new ATOM 0 HB3 HIS A 582 2.192 11.377 -3.769 1.00 0.00 H new ATOM 0 HD1 HIS A 582 3.656 10.876 -6.287 1.00 0.00 H new ATOM 0 HD2 HIS A 582 2.275 7.730 -3.892 1.00 0.00 H new ATOM 0 HE1 HIS A 582 3.483 8.842 -7.803 1.00 0.00 H new ATOM 555 N GLY A 583 3.615 12.158 -1.186 1.00 0.00 N ATOM 556 CA GLY A 583 3.419 13.182 -0.176 1.00 0.00 C ATOM 557 C GLY A 583 4.039 12.808 1.156 1.00 0.00 C ATOM 558 O GLY A 583 5.222 12.475 1.227 1.00 0.00 O ATOM 0 H GLY A 583 3.322 11.221 -0.909 1.00 0.00 H new ATOM 0 HA2 GLY A 583 3.852 14.120 -0.525 1.00 0.00 H new ATOM 0 HA3 GLY A 583 2.351 13.355 -0.041 1.00 0.00 H new ATOM 562 N LYS A 584 3.240 12.865 2.216 1.00 0.00 N ATOM 563 CA LYS A 584 3.716 12.531 3.553 1.00 0.00 C ATOM 564 C LYS A 584 2.819 11.483 4.204 1.00 0.00 C ATOM 565 O LYS A 584 1.675 11.766 4.560 1.00 0.00 O ATOM 566 CB LYS A 584 3.768 13.787 4.426 1.00 0.00 C ATOM 567 CG LYS A 584 4.010 13.494 5.897 1.00 0.00 C ATOM 568 CD LYS A 584 5.452 13.090 6.156 1.00 0.00 C ATOM 569 CE LYS A 584 5.586 12.306 7.453 1.00 0.00 C ATOM 570 NZ LYS A 584 6.971 12.369 7.997 1.00 0.00 N ATOM 0 H LYS A 584 2.259 13.140 2.175 1.00 0.00 H new ATOM 0 HA LYS A 584 4.720 12.117 3.462 1.00 0.00 H new ATOM 0 HB2 LYS A 584 4.558 14.442 4.059 1.00 0.00 H new ATOM 0 HB3 LYS A 584 2.829 14.331 4.322 1.00 0.00 H new ATOM 0 HG2 LYS A 584 3.766 14.376 6.489 1.00 0.00 H new ATOM 0 HG3 LYS A 584 3.343 12.696 6.224 1.00 0.00 H new ATOM 0 HD2 LYS A 584 5.817 12.486 5.325 1.00 0.00 H new ATOM 0 HD3 LYS A 584 6.078 13.981 6.202 1.00 0.00 H new ATOM 0 HE2 LYS A 584 4.888 12.701 8.190 1.00 0.00 H new ATOM 0 HE3 LYS A 584 5.311 11.266 7.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 584 7.022 11.823 8.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 584 7.635 11.969 7.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 584 7.225 13.360 8.187 1.00 0.00 H new ATOM 584 N VAL A 585 3.346 10.273 4.358 1.00 0.00 N ATOM 585 CA VAL A 585 2.594 9.183 4.969 1.00 0.00 C ATOM 586 C VAL A 585 2.335 9.455 6.446 1.00 0.00 C ATOM 587 O VAL A 585 3.249 9.801 7.195 1.00 0.00 O ATOM 588 CB VAL A 585 3.335 7.841 4.827 1.00 0.00 C ATOM 589 CG1 VAL A 585 2.575 6.733 5.540 1.00 0.00 C ATOM 590 CG2 VAL A 585 3.541 7.498 3.359 1.00 0.00 C ATOM 0 H VAL A 585 4.291 10.022 4.068 1.00 0.00 H new ATOM 0 HA VAL A 585 1.642 9.121 4.442 1.00 0.00 H new ATOM 0 HB VAL A 585 4.315 7.936 5.295 1.00 0.00 H new ATOM 0 HG11 VAL A 585 3.114 5.792 5.429 1.00 0.00 H new ATOM 0 HG12 VAL A 585 2.485 6.977 6.599 1.00 0.00 H new ATOM 0 HG13 VAL A 585 1.581 6.635 5.104 1.00 0.00 H new ATOM 0 HG21 VAL A 585 4.066 6.546 3.278 1.00 0.00 H new ATOM 0 HG22 VAL A 585 2.573 7.421 2.864 1.00 0.00 H new ATOM 0 HG23 VAL A 585 4.132 8.280 2.882 1.00 0.00 H new ATOM 600 N LYS A 586 1.082 9.296 6.860 1.00 0.00 N ATOM 601 CA LYS A 586 0.701 9.522 8.249 1.00 0.00 C ATOM 602 C LYS A 586 0.747 8.221 9.045 1.00 0.00 C ATOM 603 O LYS A 586 1.395 8.144 10.089 1.00 0.00 O ATOM 604 CB LYS A 586 -0.703 10.128 8.323 1.00 0.00 C ATOM 605 CG LYS A 586 -1.207 10.324 9.742 1.00 0.00 C ATOM 606 CD LYS A 586 -0.502 11.481 10.429 1.00 0.00 C ATOM 607 CE LYS A 586 -1.341 12.051 11.562 1.00 0.00 C ATOM 608 NZ LYS A 586 -0.564 13.003 12.403 1.00 0.00 N ATOM 0 H LYS A 586 0.313 9.011 6.253 1.00 0.00 H new ATOM 0 HA LYS A 586 1.415 10.220 8.686 1.00 0.00 H new ATOM 0 HB2 LYS A 586 -0.702 11.090 7.811 1.00 0.00 H new ATOM 0 HB3 LYS A 586 -1.397 9.482 7.786 1.00 0.00 H new ATOM 0 HG2 LYS A 586 -2.281 10.509 9.725 1.00 0.00 H new ATOM 0 HG3 LYS A 586 -1.050 9.410 10.314 1.00 0.00 H new ATOM 0 HD2 LYS A 586 0.458 11.143 10.820 1.00 0.00 H new ATOM 0 HD3 LYS A 586 -0.292 12.264 9.701 1.00 0.00 H new ATOM 0 HE2 LYS A 586 -2.212 12.559 11.149 1.00 0.00 H new ATOM 0 HE3 LYS A 586 -1.712 11.237 12.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 586 -1.171 13.369 13.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 586 0.253 12.512 12.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 586 -0.231 13.794 11.815 1.00 0.00 H new ATOM 622 N SER A 587 0.056 7.202 8.544 1.00 0.00 N ATOM 623 CA SER A 587 0.017 5.905 9.210 1.00 0.00 C ATOM 624 C SER A 587 -0.218 4.784 8.202 1.00 0.00 C ATOM 625 O SER A 587 -0.633 5.029 7.069 1.00 0.00 O ATOM 626 CB SER A 587 -1.082 5.888 10.274 1.00 0.00 C ATOM 627 OG SER A 587 -0.585 6.327 11.527 1.00 0.00 O ATOM 0 H SER A 587 -0.484 7.249 7.680 1.00 0.00 H new ATOM 0 HA SER A 587 0.981 5.741 9.691 1.00 0.00 H new ATOM 0 HB2 SER A 587 -1.906 6.529 9.961 1.00 0.00 H new ATOM 0 HB3 SER A 587 -1.483 4.879 10.371 1.00 0.00 H new ATOM 0 HG SER A 587 0.132 6.979 11.384 1.00 0.00 H new ATOM 633 N VAL A 588 0.050 3.552 8.623 1.00 0.00 N ATOM 634 CA VAL A 588 -0.133 2.392 7.759 1.00 0.00 C ATOM 635 C VAL A 588 -0.822 1.255 8.505 1.00 0.00 C ATOM 636 O VAL A 588 -0.253 0.668 9.424 1.00 0.00 O ATOM 637 CB VAL A 588 1.213 1.887 7.205 1.00 0.00 C ATOM 638 CG1 VAL A 588 1.005 0.653 6.341 1.00 0.00 C ATOM 639 CG2 VAL A 588 1.912 2.987 6.420 1.00 0.00 C ATOM 0 H VAL A 588 0.395 3.332 9.557 1.00 0.00 H new ATOM 0 HA VAL A 588 -0.762 2.712 6.928 1.00 0.00 H new ATOM 0 HB VAL A 588 1.851 1.610 8.044 1.00 0.00 H new ATOM 0 HG11 VAL A 588 1.966 0.310 5.958 1.00 0.00 H new ATOM 0 HG12 VAL A 588 0.550 -0.137 6.938 1.00 0.00 H new ATOM 0 HG13 VAL A 588 0.349 0.900 5.506 1.00 0.00 H new ATOM 0 HG21 VAL A 588 2.861 2.613 6.036 1.00 0.00 H new ATOM 0 HG22 VAL A 588 1.281 3.297 5.587 1.00 0.00 H new ATOM 0 HG23 VAL A 588 2.096 3.840 7.073 1.00 0.00 H new ATOM 649 N GLU A 589 -2.051 0.949 8.100 1.00 0.00 N ATOM 650 CA GLU A 589 -2.818 -0.119 8.731 1.00 0.00 C ATOM 651 C GLU A 589 -2.910 -1.337 7.816 1.00 0.00 C ATOM 652 O GLU A 589 -2.948 -1.206 6.592 1.00 0.00 O ATOM 653 CB GLU A 589 -4.223 0.373 9.086 1.00 0.00 C ATOM 654 CG GLU A 589 -4.230 1.614 9.963 1.00 0.00 C ATOM 655 CD GLU A 589 -5.510 2.417 9.828 1.00 0.00 C ATOM 656 OE1 GLU A 589 -6.557 1.951 10.323 1.00 0.00 O ATOM 657 OE2 GLU A 589 -5.463 3.511 9.228 1.00 0.00 O ATOM 0 H GLU A 589 -2.536 1.425 7.339 1.00 0.00 H new ATOM 0 HA GLU A 589 -2.301 -0.411 9.645 1.00 0.00 H new ATOM 0 HB2 GLU A 589 -4.768 0.585 8.166 1.00 0.00 H new ATOM 0 HB3 GLU A 589 -4.760 -0.426 9.597 1.00 0.00 H new ATOM 0 HG2 GLU A 589 -4.099 1.319 11.004 1.00 0.00 H new ATOM 0 HG3 GLU A 589 -3.381 2.245 9.701 1.00 0.00 H new ATOM 664 N LEU A 590 -2.946 -2.520 8.418 1.00 0.00 N ATOM 665 CA LEU A 590 -3.033 -3.763 7.659 1.00 0.00 C ATOM 666 C LEU A 590 -4.276 -4.554 8.050 1.00 0.00 C ATOM 667 O LEU A 590 -4.743 -4.474 9.187 1.00 0.00 O ATOM 668 CB LEU A 590 -1.781 -4.612 7.888 1.00 0.00 C ATOM 669 CG LEU A 590 -0.491 -4.090 7.253 1.00 0.00 C ATOM 670 CD1 LEU A 590 0.715 -4.834 7.806 1.00 0.00 C ATOM 671 CD2 LEU A 590 -0.551 -4.220 5.738 1.00 0.00 C ATOM 0 H LEU A 590 -2.916 -2.645 9.430 1.00 0.00 H new ATOM 0 HA LEU A 590 -3.104 -3.510 6.601 1.00 0.00 H new ATOM 0 HB2 LEU A 590 -1.621 -4.706 8.962 1.00 0.00 H new ATOM 0 HB3 LEU A 590 -1.971 -5.615 7.505 1.00 0.00 H new ATOM 0 HG LEU A 590 -0.387 -3.034 7.503 1.00 0.00 H new ATOM 0 HD11 LEU A 590 1.624 -4.449 7.343 1.00 0.00 H new ATOM 0 HD12 LEU A 590 0.768 -4.689 8.885 1.00 0.00 H new ATOM 0 HD13 LEU A 590 0.618 -5.897 7.587 1.00 0.00 H new ATOM 0 HD21 LEU A 590 0.375 -3.844 5.304 1.00 0.00 H new ATOM 0 HD22 LEU A 590 -0.679 -5.268 5.468 1.00 0.00 H new ATOM 0 HD23 LEU A 590 -1.392 -3.641 5.356 1.00 0.00 H new ATOM 683 N SER A 591 -4.807 -5.320 7.102 1.00 0.00 N ATOM 684 CA SER A 591 -5.998 -6.125 7.347 1.00 0.00 C ATOM 685 C SER A 591 -5.628 -7.461 7.984 1.00 0.00 C ATOM 686 O SER A 591 -4.559 -8.020 7.740 1.00 0.00 O ATOM 687 CB SER A 591 -6.756 -6.363 6.040 1.00 0.00 C ATOM 688 OG SER A 591 -6.002 -7.171 5.153 1.00 0.00 O ATOM 0 H SER A 591 -4.431 -5.400 6.157 1.00 0.00 H new ATOM 0 HA SER A 591 -6.641 -5.578 8.037 1.00 0.00 H new ATOM 0 HB2 SER A 591 -7.711 -6.844 6.252 1.00 0.00 H new ATOM 0 HB3 SER A 591 -6.979 -5.407 5.566 1.00 0.00 H new ATOM 0 HG SER A 591 -6.089 -8.112 5.414 1.00 0.00 H new ATOM 694 N PRO A 592 -6.534 -7.986 8.823 1.00 0.00 N ATOM 695 CA PRO A 592 -6.327 -9.263 9.513 1.00 0.00 C ATOM 696 C PRO A 592 -6.375 -10.452 8.559 1.00 0.00 C ATOM 697 O PRO A 592 -6.122 -11.590 8.956 1.00 0.00 O ATOM 698 CB PRO A 592 -7.493 -9.324 10.503 1.00 0.00 C ATOM 699 CG PRO A 592 -8.552 -8.471 9.894 1.00 0.00 C ATOM 700 CD PRO A 592 -7.830 -7.375 9.161 1.00 0.00 C ATOM 0 HA PRO A 592 -5.346 -9.317 9.985 1.00 0.00 H new ATOM 0 HB2 PRO A 592 -7.841 -10.348 10.643 1.00 0.00 H new ATOM 0 HB3 PRO A 592 -7.199 -8.951 11.484 1.00 0.00 H new ATOM 0 HG2 PRO A 592 -9.176 -9.050 9.214 1.00 0.00 H new ATOM 0 HG3 PRO A 592 -9.211 -8.061 10.659 1.00 0.00 H new ATOM 0 HD2 PRO A 592 -8.372 -7.064 8.268 1.00 0.00 H new ATOM 0 HD3 PRO A 592 -7.706 -6.489 9.784 1.00 0.00 H new ATOM 708 N HIS A 593 -6.702 -10.181 7.299 1.00 0.00 N ATOM 709 CA HIS A 593 -6.783 -11.230 6.288 1.00 0.00 C ATOM 710 C HIS A 593 -5.389 -11.678 5.859 1.00 0.00 C ATOM 711 O HIS A 593 -4.578 -10.871 5.403 1.00 0.00 O ATOM 712 CB HIS A 593 -7.570 -10.737 5.074 1.00 0.00 C ATOM 713 CG HIS A 593 -8.990 -10.379 5.385 1.00 0.00 C ATOM 714 ND1 HIS A 593 -9.393 -9.096 5.691 1.00 0.00 N ATOM 715 CD2 HIS A 593 -10.105 -11.144 5.435 1.00 0.00 C ATOM 716 CE1 HIS A 593 -10.694 -9.088 5.918 1.00 0.00 C ATOM 717 NE2 HIS A 593 -11.151 -10.318 5.768 1.00 0.00 N ATOM 0 H HIS A 593 -6.915 -9.245 6.954 1.00 0.00 H new ATOM 0 HA HIS A 593 -7.301 -12.084 6.725 1.00 0.00 H new ATOM 0 HB2 HIS A 593 -7.068 -9.865 4.656 1.00 0.00 H new ATOM 0 HB3 HIS A 593 -7.559 -11.510 4.306 1.00 0.00 H new ATOM 0 HD2 HIS A 593 -10.162 -12.206 5.248 1.00 0.00 H new ATOM 0 HE1 HIS A 593 -11.284 -8.223 6.182 1.00 0.00 H new ATOM 0 HE2 HIS A 593 -12.122 -10.608 5.881 1.00 0.00 H new ATOM 726 N THR A 594 -5.116 -12.971 6.008 1.00 0.00 N ATOM 727 CA THR A 594 -3.821 -13.526 5.637 1.00 0.00 C ATOM 728 C THR A 594 -3.914 -14.319 4.339 1.00 0.00 C ATOM 729 O THR A 594 -3.229 -15.328 4.166 1.00 0.00 O ATOM 730 CB THR A 594 -3.264 -14.440 6.745 1.00 0.00 C ATOM 731 OG1 THR A 594 -4.243 -15.420 7.110 1.00 0.00 O ATOM 732 CG2 THR A 594 -2.871 -13.628 7.970 1.00 0.00 C ATOM 0 H THR A 594 -5.775 -13.653 6.383 1.00 0.00 H new ATOM 0 HA THR A 594 -3.144 -12.683 5.497 1.00 0.00 H new ATOM 0 HB THR A 594 -2.375 -14.940 6.360 1.00 0.00 H new ATOM 0 HG1 THR A 594 -3.881 -15.998 7.814 1.00 0.00 H new ATOM 0 HG21 THR A 594 -2.481 -14.295 8.739 1.00 0.00 H new ATOM 0 HG22 THR A 594 -2.105 -12.903 7.695 1.00 0.00 H new ATOM 0 HG23 THR A 594 -3.746 -13.104 8.355 1.00 0.00 H new ATOM 740 N ASP A 595 -4.764 -13.858 3.428 1.00 0.00 N ATOM 741 CA ASP A 595 -4.945 -14.523 2.144 1.00 0.00 C ATOM 742 C ASP A 595 -5.100 -13.503 1.020 1.00 0.00 C ATOM 743 O ASP A 595 -5.060 -12.295 1.255 1.00 0.00 O ATOM 744 CB ASP A 595 -6.167 -15.441 2.188 1.00 0.00 C ATOM 745 CG ASP A 595 -5.917 -16.701 2.993 1.00 0.00 C ATOM 746 OD1 ASP A 595 -4.821 -17.284 2.855 1.00 0.00 O ATOM 747 OD2 ASP A 595 -6.816 -17.105 3.759 1.00 0.00 O ATOM 0 H ASP A 595 -5.339 -13.025 3.556 1.00 0.00 H new ATOM 0 HA ASP A 595 -4.057 -15.123 1.946 1.00 0.00 H new ATOM 0 HB2 ASP A 595 -7.009 -14.899 2.619 1.00 0.00 H new ATOM 0 HB3 ASP A 595 -6.450 -15.713 1.171 1.00 0.00 H new ATOM 752 N TYR A 596 -5.275 -13.997 -0.201 1.00 0.00 N ATOM 753 CA TYR A 596 -5.432 -13.129 -1.361 1.00 0.00 C ATOM 754 C TYR A 596 -6.310 -11.927 -1.028 1.00 0.00 C ATOM 755 O TYR A 596 -6.179 -10.863 -1.632 1.00 0.00 O ATOM 756 CB TYR A 596 -6.037 -13.909 -2.530 1.00 0.00 C ATOM 757 CG TYR A 596 -7.205 -14.784 -2.133 1.00 0.00 C ATOM 758 CD1 TYR A 596 -7.001 -16.063 -1.631 1.00 0.00 C ATOM 759 CD2 TYR A 596 -8.513 -14.330 -2.260 1.00 0.00 C ATOM 760 CE1 TYR A 596 -8.065 -16.866 -1.268 1.00 0.00 C ATOM 761 CE2 TYR A 596 -9.583 -15.126 -1.898 1.00 0.00 C ATOM 762 CZ TYR A 596 -9.354 -16.393 -1.403 1.00 0.00 C ATOM 763 OH TYR A 596 -10.417 -17.189 -1.042 1.00 0.00 O ATOM 0 H TYR A 596 -5.312 -14.994 -0.412 1.00 0.00 H new ATOM 0 HA TYR A 596 -4.445 -12.766 -1.647 1.00 0.00 H new ATOM 0 HB2 TYR A 596 -6.364 -13.205 -3.295 1.00 0.00 H new ATOM 0 HB3 TYR A 596 -5.264 -14.532 -2.980 1.00 0.00 H new ATOM 0 HD1 TYR A 596 -5.993 -16.436 -1.523 1.00 0.00 H new ATOM 0 HD2 TYR A 596 -8.696 -13.339 -2.648 1.00 0.00 H new ATOM 0 HE1 TYR A 596 -7.889 -17.859 -0.881 1.00 0.00 H new ATOM 0 HE2 TYR A 596 -10.593 -14.758 -2.002 1.00 0.00 H new ATOM 0 HH TYR A 596 -11.255 -16.706 -1.198 1.00 0.00 H new ATOM 773 N GLN A 597 -7.205 -12.107 -0.062 1.00 0.00 N ATOM 774 CA GLN A 597 -8.106 -11.037 0.353 1.00 0.00 C ATOM 775 C GLN A 597 -7.440 -10.135 1.387 1.00 0.00 C ATOM 776 O GLN A 597 -8.064 -9.735 2.371 1.00 0.00 O ATOM 777 CB GLN A 597 -9.397 -11.623 0.926 1.00 0.00 C ATOM 778 CG GLN A 597 -10.473 -11.864 -0.121 1.00 0.00 C ATOM 779 CD GLN A 597 -11.866 -11.920 0.476 1.00 0.00 C ATOM 780 OE1 GLN A 597 -12.607 -10.937 0.445 1.00 0.00 O ATOM 781 NE2 GLN A 597 -12.229 -13.074 1.024 1.00 0.00 N ATOM 0 H GLN A 597 -7.326 -12.982 0.448 1.00 0.00 H new ATOM 0 HA GLN A 597 -8.346 -10.437 -0.525 1.00 0.00 H new ATOM 0 HB2 GLN A 597 -9.169 -12.565 1.424 1.00 0.00 H new ATOM 0 HB3 GLN A 597 -9.787 -10.947 1.687 1.00 0.00 H new ATOM 0 HG2 GLN A 597 -10.433 -11.070 -0.867 1.00 0.00 H new ATOM 0 HG3 GLN A 597 -10.266 -12.800 -0.640 1.00 0.00 H new ATOM 0 HE21 GLN A 597 -11.582 -13.863 1.027 1.00 0.00 H new ATOM 0 HE22 GLN A 597 -13.154 -13.172 1.442 1.00 0.00 H new ATOM 790 N LEU A 598 -6.170 -9.819 1.159 1.00 0.00 N ATOM 791 CA LEU A 598 -5.419 -8.964 2.071 1.00 0.00 C ATOM 792 C LEU A 598 -5.502 -7.503 1.641 1.00 0.00 C ATOM 793 O LEU A 598 -5.054 -7.138 0.554 1.00 0.00 O ATOM 794 CB LEU A 598 -3.956 -9.408 2.129 1.00 0.00 C ATOM 795 CG LEU A 598 -2.976 -8.410 2.748 1.00 0.00 C ATOM 796 CD1 LEU A 598 -3.219 -8.281 4.244 1.00 0.00 C ATOM 797 CD2 LEU A 598 -1.540 -8.833 2.474 1.00 0.00 C ATOM 0 H LEU A 598 -5.639 -10.142 0.350 1.00 0.00 H new ATOM 0 HA LEU A 598 -5.860 -9.057 3.063 1.00 0.00 H new ATOM 0 HB2 LEU A 598 -3.902 -10.338 2.694 1.00 0.00 H new ATOM 0 HB3 LEU A 598 -3.624 -9.631 1.115 1.00 0.00 H new ATOM 0 HG LEU A 598 -3.141 -7.435 2.288 1.00 0.00 H new ATOM 0 HD11 LEU A 598 -2.513 -7.567 4.667 1.00 0.00 H new ATOM 0 HD12 LEU A 598 -4.237 -7.932 4.419 1.00 0.00 H new ATOM 0 HD13 LEU A 598 -3.082 -9.252 4.720 1.00 0.00 H new ATOM 0 HD21 LEU A 598 -0.856 -8.112 2.922 1.00 0.00 H new ATOM 0 HD22 LEU A 598 -1.362 -9.818 2.906 1.00 0.00 H new ATOM 0 HD23 LEU A 598 -1.372 -8.873 1.398 1.00 0.00 H new ATOM 809 N LYS A 599 -6.077 -6.670 2.502 1.00 0.00 N ATOM 810 CA LYS A 599 -6.216 -5.247 2.214 1.00 0.00 C ATOM 811 C LYS A 599 -5.418 -4.410 3.208 1.00 0.00 C ATOM 812 O LYS A 599 -4.783 -4.946 4.115 1.00 0.00 O ATOM 813 CB LYS A 599 -7.691 -4.840 2.255 1.00 0.00 C ATOM 814 CG LYS A 599 -8.558 -5.592 1.260 1.00 0.00 C ATOM 815 CD LYS A 599 -10.032 -5.280 1.458 1.00 0.00 C ATOM 816 CE LYS A 599 -10.655 -6.178 2.516 1.00 0.00 C ATOM 817 NZ LYS A 599 -10.730 -7.596 2.066 1.00 0.00 N ATOM 0 H LYS A 599 -6.454 -6.956 3.405 1.00 0.00 H new ATOM 0 HA LYS A 599 -5.822 -5.063 1.214 1.00 0.00 H new ATOM 0 HB2 LYS A 599 -8.078 -5.008 3.260 1.00 0.00 H new ATOM 0 HB3 LYS A 599 -7.770 -3.771 2.057 1.00 0.00 H new ATOM 0 HG2 LYS A 599 -8.262 -5.327 0.245 1.00 0.00 H new ATOM 0 HG3 LYS A 599 -8.394 -6.664 1.370 1.00 0.00 H new ATOM 0 HD2 LYS A 599 -10.148 -4.237 1.751 1.00 0.00 H new ATOM 0 HD3 LYS A 599 -10.562 -5.407 0.514 1.00 0.00 H new ATOM 0 HE2 LYS A 599 -10.069 -6.119 3.433 1.00 0.00 H new ATOM 0 HE3 LYS A 599 -11.656 -5.819 2.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 599 -11.451 -8.099 2.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 599 -10.985 -7.627 1.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 599 -9.806 -8.053 2.203 1.00 0.00 H new ATOM 831 N ALA A 600 -5.458 -3.094 3.032 1.00 0.00 N ATOM 832 CA ALA A 600 -4.742 -2.183 3.917 1.00 0.00 C ATOM 833 C ALA A 600 -5.205 -0.744 3.715 1.00 0.00 C ATOM 834 O ALA A 600 -5.784 -0.407 2.682 1.00 0.00 O ATOM 835 CB ALA A 600 -3.242 -2.294 3.686 1.00 0.00 C ATOM 0 H ALA A 600 -5.978 -2.634 2.285 1.00 0.00 H new ATOM 0 HA ALA A 600 -4.963 -2.467 4.946 1.00 0.00 H new ATOM 0 HB1 ALA A 600 -2.719 -1.608 4.353 1.00 0.00 H new ATOM 0 HB2 ALA A 600 -2.917 -3.315 3.888 1.00 0.00 H new ATOM 0 HB3 ALA A 600 -3.013 -2.038 2.651 1.00 0.00 H new ATOM 841 N VAL A 601 -4.946 0.101 4.707 1.00 0.00 N ATOM 842 CA VAL A 601 -5.336 1.504 4.638 1.00 0.00 C ATOM 843 C VAL A 601 -4.148 2.419 4.915 1.00 0.00 C ATOM 844 O VAL A 601 -3.565 2.387 5.999 1.00 0.00 O ATOM 845 CB VAL A 601 -6.461 1.824 5.640 1.00 0.00 C ATOM 846 CG1 VAL A 601 -6.868 3.286 5.537 1.00 0.00 C ATOM 847 CG2 VAL A 601 -7.656 0.912 5.408 1.00 0.00 C ATOM 0 H VAL A 601 -4.467 -0.162 5.569 1.00 0.00 H new ATOM 0 HA VAL A 601 -5.700 1.682 3.626 1.00 0.00 H new ATOM 0 HB VAL A 601 -6.087 1.646 6.648 1.00 0.00 H new ATOM 0 HG11 VAL A 601 -7.664 3.493 6.252 1.00 0.00 H new ATOM 0 HG12 VAL A 601 -6.008 3.919 5.757 1.00 0.00 H new ATOM 0 HG13 VAL A 601 -7.224 3.494 4.528 1.00 0.00 H new ATOM 0 HG21 VAL A 601 -8.441 1.152 6.125 1.00 0.00 H new ATOM 0 HG22 VAL A 601 -8.032 1.056 4.395 1.00 0.00 H new ATOM 0 HG23 VAL A 601 -7.352 -0.127 5.538 1.00 0.00 H new ATOM 857 N VAL A 602 -3.794 3.236 3.928 1.00 0.00 N ATOM 858 CA VAL A 602 -2.676 4.162 4.066 1.00 0.00 C ATOM 859 C VAL A 602 -3.168 5.585 4.307 1.00 0.00 C ATOM 860 O VAL A 602 -3.706 6.226 3.405 1.00 0.00 O ATOM 861 CB VAL A 602 -1.777 4.146 2.815 1.00 0.00 C ATOM 862 CG1 VAL A 602 -0.633 5.137 2.968 1.00 0.00 C ATOM 863 CG2 VAL A 602 -1.248 2.743 2.558 1.00 0.00 C ATOM 0 H VAL A 602 -4.265 3.275 3.024 1.00 0.00 H new ATOM 0 HA VAL A 602 -2.095 3.831 4.927 1.00 0.00 H new ATOM 0 HB VAL A 602 -2.374 4.447 1.954 1.00 0.00 H new ATOM 0 HG11 VAL A 602 -0.008 5.112 2.075 1.00 0.00 H new ATOM 0 HG12 VAL A 602 -1.036 6.141 3.101 1.00 0.00 H new ATOM 0 HG13 VAL A 602 -0.033 4.869 3.838 1.00 0.00 H new ATOM 0 HG21 VAL A 602 -0.615 2.750 1.671 1.00 0.00 H new ATOM 0 HG22 VAL A 602 -0.665 2.411 3.417 1.00 0.00 H new ATOM 0 HG23 VAL A 602 -2.084 2.062 2.402 1.00 0.00 H new ATOM 873 N GLN A 603 -2.979 6.071 5.529 1.00 0.00 N ATOM 874 CA GLN A 603 -3.404 7.419 5.888 1.00 0.00 C ATOM 875 C GLN A 603 -2.356 8.448 5.477 1.00 0.00 C ATOM 876 O GLN A 603 -1.164 8.267 5.725 1.00 0.00 O ATOM 877 CB GLN A 603 -3.662 7.511 7.393 1.00 0.00 C ATOM 878 CG GLN A 603 -4.651 8.601 7.775 1.00 0.00 C ATOM 879 CD GLN A 603 -5.214 8.415 9.170 1.00 0.00 C ATOM 880 OE1 GLN A 603 -4.582 8.783 10.161 1.00 0.00 O ATOM 881 NE2 GLN A 603 -6.409 7.843 9.255 1.00 0.00 N ATOM 0 H GLN A 603 -2.535 5.552 6.287 1.00 0.00 H new ATOM 0 HA GLN A 603 -4.329 7.635 5.353 1.00 0.00 H new ATOM 0 HB2 GLN A 603 -4.037 6.551 7.748 1.00 0.00 H new ATOM 0 HB3 GLN A 603 -2.717 7.694 7.905 1.00 0.00 H new ATOM 0 HG2 GLN A 603 -4.158 9.571 7.712 1.00 0.00 H new ATOM 0 HG3 GLN A 603 -5.470 8.612 7.055 1.00 0.00 H new ATOM 0 HE21 GLN A 603 -6.897 7.554 8.408 1.00 0.00 H new ATOM 0 HE22 GLN A 603 -6.839 7.693 10.168 1.00 0.00 H new ATOM 890 N MET A 604 -2.808 9.527 4.847 1.00 0.00 N ATOM 891 CA MET A 604 -1.909 10.585 4.402 1.00 0.00 C ATOM 892 C MET A 604 -2.131 11.862 5.207 1.00 0.00 C ATOM 893 O MET A 604 -3.231 12.114 5.696 1.00 0.00 O ATOM 894 CB MET A 604 -2.115 10.866 2.912 1.00 0.00 C ATOM 895 CG MET A 604 -1.272 9.984 2.005 1.00 0.00 C ATOM 896 SD MET A 604 -0.836 10.798 0.456 1.00 0.00 S ATOM 897 CE MET A 604 0.953 10.749 0.541 1.00 0.00 C ATOM 0 H MET A 604 -3.792 9.692 4.633 1.00 0.00 H new ATOM 0 HA MET A 604 -0.885 10.248 4.563 1.00 0.00 H new ATOM 0 HB2 MET A 604 -3.168 10.725 2.666 1.00 0.00 H new ATOM 0 HB3 MET A 604 -1.878 11.911 2.712 1.00 0.00 H new ATOM 0 HG2 MET A 604 -0.361 9.696 2.529 1.00 0.00 H new ATOM 0 HG3 MET A 604 -1.818 9.066 1.788 1.00 0.00 H new ATOM 0 HE1 MET A 604 1.373 11.248 -0.332 1.00 0.00 H new ATOM 0 HE2 MET A 604 1.288 11.257 1.445 1.00 0.00 H new ATOM 0 HE3 MET A 604 1.288 9.712 0.562 1.00 0.00 H new ATOM 907 N GLU A 605 -1.078 12.662 5.341 1.00 0.00 N ATOM 908 CA GLU A 605 -1.159 13.911 6.089 1.00 0.00 C ATOM 909 C GLU A 605 -2.086 14.903 5.392 1.00 0.00 C ATOM 910 O GLU A 605 -3.004 15.446 6.005 1.00 0.00 O ATOM 911 CB GLU A 605 0.233 14.526 6.251 1.00 0.00 C ATOM 912 CG GLU A 605 1.011 13.967 7.431 1.00 0.00 C ATOM 913 CD GLU A 605 2.025 14.952 7.980 1.00 0.00 C ATOM 914 OE1 GLU A 605 2.329 15.941 7.281 1.00 0.00 O ATOM 915 OE2 GLU A 605 2.514 14.734 9.108 1.00 0.00 O ATOM 0 H GLU A 605 -0.160 12.468 4.942 1.00 0.00 H new ATOM 0 HA GLU A 605 -1.567 13.688 7.075 1.00 0.00 H new ATOM 0 HB2 GLU A 605 0.804 14.358 5.338 1.00 0.00 H new ATOM 0 HB3 GLU A 605 0.133 15.605 6.371 1.00 0.00 H new ATOM 0 HG2 GLU A 605 0.314 13.689 8.222 1.00 0.00 H new ATOM 0 HG3 GLU A 605 1.524 13.056 7.124 1.00 0.00 H new ATOM 922 N ASN A 606 -1.839 15.133 4.107 1.00 0.00 N ATOM 923 CA ASN A 606 -2.650 16.060 3.326 1.00 0.00 C ATOM 924 C ASN A 606 -3.637 15.306 2.440 1.00 0.00 C ATOM 925 O ASN A 606 -3.320 14.243 1.904 1.00 0.00 O ATOM 926 CB ASN A 606 -1.755 16.955 2.466 1.00 0.00 C ATOM 927 CG ASN A 606 -2.367 18.321 2.222 1.00 0.00 C ATOM 928 OD1 ASN A 606 -2.379 19.175 3.109 1.00 0.00 O ATOM 929 ND2 ASN A 606 -2.879 18.532 1.015 1.00 0.00 N ATOM 0 H ASN A 606 -1.084 14.690 3.584 1.00 0.00 H new ATOM 0 HA ASN A 606 -3.215 16.683 4.020 1.00 0.00 H new ATOM 0 HB2 ASN A 606 -0.788 17.075 2.955 1.00 0.00 H new ATOM 0 HB3 ASN A 606 -1.570 16.467 1.509 1.00 0.00 H new ATOM 0 HD21 ASN A 606 -3.305 19.432 0.792 1.00 0.00 H new ATOM 0 HD22 ASN A 606 -2.846 17.794 0.311 1.00 0.00 H new ATOM 936 N LEU A 607 -4.833 15.863 2.289 1.00 0.00 N ATOM 937 CA LEU A 607 -5.867 15.243 1.467 1.00 0.00 C ATOM 938 C LEU A 607 -5.415 15.134 0.014 1.00 0.00 C ATOM 939 O LEU A 607 -5.343 14.039 -0.543 1.00 0.00 O ATOM 940 CB LEU A 607 -7.164 16.051 1.549 1.00 0.00 C ATOM 941 CG LEU A 607 -8.441 15.311 1.150 1.00 0.00 C ATOM 942 CD1 LEU A 607 -8.402 14.934 -0.322 1.00 0.00 C ATOM 943 CD2 LEU A 607 -8.633 14.074 2.015 1.00 0.00 C ATOM 0 H LEU A 607 -5.111 16.742 2.725 1.00 0.00 H new ATOM 0 HA LEU A 607 -6.046 14.238 1.849 1.00 0.00 H new ATOM 0 HB2 LEU A 607 -7.281 16.411 2.571 1.00 0.00 H new ATOM 0 HB3 LEU A 607 -7.062 16.929 0.912 1.00 0.00 H new ATOM 0 HG LEU A 607 -9.289 15.977 1.310 1.00 0.00 H new ATOM 0 HD11 LEU A 607 -9.319 14.408 -0.587 1.00 0.00 H new ATOM 0 HD12 LEU A 607 -8.313 15.837 -0.927 1.00 0.00 H new ATOM 0 HD13 LEU A 607 -7.545 14.286 -0.509 1.00 0.00 H new ATOM 0 HD21 LEU A 607 -9.547 13.560 1.717 1.00 0.00 H new ATOM 0 HD22 LEU A 607 -7.782 13.405 1.887 1.00 0.00 H new ATOM 0 HD23 LEU A 607 -8.708 14.370 3.061 1.00 0.00 H new ATOM 955 N GLN A 608 -5.108 16.277 -0.592 1.00 0.00 N ATOM 956 CA GLN A 608 -4.661 16.309 -1.980 1.00 0.00 C ATOM 957 C GLN A 608 -3.514 15.329 -2.205 1.00 0.00 C ATOM 958 O GLN A 608 -3.462 14.641 -3.225 1.00 0.00 O ATOM 959 CB GLN A 608 -4.222 17.723 -2.364 1.00 0.00 C ATOM 960 CG GLN A 608 -5.378 18.700 -2.507 1.00 0.00 C ATOM 961 CD GLN A 608 -4.935 20.146 -2.401 1.00 0.00 C ATOM 962 OE1 GLN A 608 -4.220 20.522 -1.472 1.00 0.00 O ATOM 963 NE2 GLN A 608 -5.359 20.967 -3.355 1.00 0.00 N ATOM 0 H GLN A 608 -5.161 17.192 -0.144 1.00 0.00 H new ATOM 0 HA GLN A 608 -5.498 16.012 -2.612 1.00 0.00 H new ATOM 0 HB2 GLN A 608 -3.531 18.098 -1.609 1.00 0.00 H new ATOM 0 HB3 GLN A 608 -3.673 17.681 -3.305 1.00 0.00 H new ATOM 0 HG2 GLN A 608 -5.865 18.543 -3.469 1.00 0.00 H new ATOM 0 HG3 GLN A 608 -6.121 18.494 -1.736 1.00 0.00 H new ATOM 0 HE21 GLN A 608 -5.950 20.613 -4.107 1.00 0.00 H new ATOM 0 HE22 GLN A 608 -5.093 21.952 -3.336 1.00 0.00 H new ATOM 972 N ASP A 609 -2.595 15.271 -1.246 1.00 0.00 N ATOM 973 CA ASP A 609 -1.449 14.375 -1.339 1.00 0.00 C ATOM 974 C ASP A 609 -1.896 12.952 -1.657 1.00 0.00 C ATOM 975 O ASP A 609 -1.200 12.213 -2.353 1.00 0.00 O ATOM 976 CB ASP A 609 -0.653 14.394 -0.033 1.00 0.00 C ATOM 977 CG ASP A 609 0.142 15.672 0.142 1.00 0.00 C ATOM 978 OD1 ASP A 609 -0.335 16.735 -0.309 1.00 0.00 O ATOM 979 OD2 ASP A 609 1.242 15.610 0.731 1.00 0.00 O ATOM 0 H ASP A 609 -2.622 15.834 -0.396 1.00 0.00 H new ATOM 0 HA ASP A 609 -0.810 14.725 -2.150 1.00 0.00 H new ATOM 0 HB2 ASP A 609 -1.337 14.277 0.808 1.00 0.00 H new ATOM 0 HB3 ASP A 609 0.026 13.542 -0.012 1.00 0.00 H new ATOM 984 N ALA A 610 -3.061 12.574 -1.141 1.00 0.00 N ATOM 985 CA ALA A 610 -3.601 11.239 -1.370 1.00 0.00 C ATOM 986 C ALA A 610 -4.149 11.105 -2.787 1.00 0.00 C ATOM 987 O ALA A 610 -3.840 10.145 -3.493 1.00 0.00 O ATOM 988 CB ALA A 610 -4.686 10.927 -0.351 1.00 0.00 C ATOM 0 H ALA A 610 -3.649 13.173 -0.562 1.00 0.00 H new ATOM 0 HA ALA A 610 -2.790 10.520 -1.252 1.00 0.00 H new ATOM 0 HB1 ALA A 610 -5.080 9.927 -0.534 1.00 0.00 H new ATOM 0 HB2 ALA A 610 -4.266 10.973 0.654 1.00 0.00 H new ATOM 0 HB3 ALA A 610 -5.491 11.657 -0.442 1.00 0.00 H new ATOM 994 N ILE A 611 -4.963 12.072 -3.195 1.00 0.00 N ATOM 995 CA ILE A 611 -5.553 12.061 -4.528 1.00 0.00 C ATOM 996 C ILE A 611 -4.575 11.508 -5.558 1.00 0.00 C ATOM 997 O ILE A 611 -4.806 10.451 -6.144 1.00 0.00 O ATOM 998 CB ILE A 611 -5.993 13.473 -4.961 1.00 0.00 C ATOM 999 CG1 ILE A 611 -7.059 14.014 -4.006 1.00 0.00 C ATOM 1000 CG2 ILE A 611 -6.516 13.450 -6.389 1.00 0.00 C ATOM 1001 CD1 ILE A 611 -7.497 15.425 -4.327 1.00 0.00 C ATOM 0 H ILE A 611 -5.229 12.873 -2.622 1.00 0.00 H new ATOM 0 HA ILE A 611 -6.429 11.415 -4.479 1.00 0.00 H new ATOM 0 HB ILE A 611 -5.128 14.135 -4.922 1.00 0.00 H new ATOM 0 HG12 ILE A 611 -7.928 13.357 -4.035 1.00 0.00 H new ATOM 0 HG13 ILE A 611 -6.671 13.985 -2.988 1.00 0.00 H new ATOM 0 HG21 ILE A 611 -6.823 14.455 -6.680 1.00 0.00 H new ATOM 0 HG22 ILE A 611 -5.730 13.102 -7.059 1.00 0.00 H new ATOM 0 HG23 ILE A 611 -7.371 12.777 -6.453 1.00 0.00 H new ATOM 0 HD11 ILE A 611 -8.254 15.743 -3.610 1.00 0.00 H new ATOM 0 HD12 ILE A 611 -6.639 16.094 -4.270 1.00 0.00 H new ATOM 0 HD13 ILE A 611 -7.915 15.456 -5.333 1.00 0.00 H new ATOM 1013 N GLY A 612 -3.479 12.229 -5.773 1.00 0.00 N ATOM 1014 CA GLY A 612 -2.480 11.794 -6.732 1.00 0.00 C ATOM 1015 C GLY A 612 -1.879 10.449 -6.372 1.00 0.00 C ATOM 1016 O GLY A 612 -1.795 9.555 -7.214 1.00 0.00 O ATOM 0 H GLY A 612 -3.265 13.107 -5.300 1.00 0.00 H new ATOM 0 HA2 GLY A 612 -2.933 11.733 -7.722 1.00 0.00 H new ATOM 0 HA3 GLY A 612 -1.687 12.539 -6.790 1.00 0.00 H new ATOM 1020 N ALA A 613 -1.459 10.306 -5.120 1.00 0.00 N ATOM 1021 CA ALA A 613 -0.864 9.061 -4.651 1.00 0.00 C ATOM 1022 C ALA A 613 -1.687 7.857 -5.096 1.00 0.00 C ATOM 1023 O ALA A 613 -1.144 6.784 -5.360 1.00 0.00 O ATOM 1024 CB ALA A 613 -0.728 9.079 -3.136 1.00 0.00 C ATOM 0 H ALA A 613 -1.520 11.037 -4.412 1.00 0.00 H new ATOM 0 HA ALA A 613 0.128 8.973 -5.093 1.00 0.00 H new ATOM 0 HB1 ALA A 613 -0.282 8.143 -2.800 1.00 0.00 H new ATOM 0 HB2 ALA A 613 -0.091 9.912 -2.838 1.00 0.00 H new ATOM 0 HB3 ALA A 613 -1.713 9.195 -2.684 1.00 0.00 H new ATOM 1030 N VAL A 614 -3.001 8.042 -5.178 1.00 0.00 N ATOM 1031 CA VAL A 614 -3.899 6.970 -5.592 1.00 0.00 C ATOM 1032 C VAL A 614 -3.806 6.725 -7.094 1.00 0.00 C ATOM 1033 O VAL A 614 -3.348 5.672 -7.534 1.00 0.00 O ATOM 1034 CB VAL A 614 -5.360 7.290 -5.225 1.00 0.00 C ATOM 1035 CG1 VAL A 614 -6.291 6.206 -5.747 1.00 0.00 C ATOM 1036 CG2 VAL A 614 -5.507 7.450 -3.719 1.00 0.00 C ATOM 0 H VAL A 614 -3.467 8.924 -4.963 1.00 0.00 H new ATOM 0 HA VAL A 614 -3.587 6.071 -5.060 1.00 0.00 H new ATOM 0 HB VAL A 614 -5.638 8.232 -5.697 1.00 0.00 H new ATOM 0 HG11 VAL A 614 -7.319 6.449 -5.478 1.00 0.00 H new ATOM 0 HG12 VAL A 614 -6.205 6.143 -6.832 1.00 0.00 H new ATOM 0 HG13 VAL A 614 -6.017 5.248 -5.305 1.00 0.00 H new ATOM 0 HG21 VAL A 614 -6.545 7.676 -3.477 1.00 0.00 H new ATOM 0 HG22 VAL A 614 -5.212 6.525 -3.224 1.00 0.00 H new ATOM 0 HG23 VAL A 614 -4.869 8.264 -3.376 1.00 0.00 H new ATOM 1046 N ASN A 615 -4.244 7.706 -7.876 1.00 0.00 N ATOM 1047 CA ASN A 615 -4.211 7.597 -9.330 1.00 0.00 C ATOM 1048 C ASN A 615 -2.796 7.306 -9.822 1.00 0.00 C ATOM 1049 O ASN A 615 -2.598 6.892 -10.964 1.00 0.00 O ATOM 1050 CB ASN A 615 -4.730 8.885 -9.972 1.00 0.00 C ATOM 1051 CG ASN A 615 -6.244 8.970 -9.955 1.00 0.00 C ATOM 1052 OD1 ASN A 615 -6.898 8.797 -10.983 1.00 0.00 O ATOM 1053 ND2 ASN A 615 -6.809 9.238 -8.783 1.00 0.00 N ATOM 0 H ASN A 615 -4.626 8.585 -7.527 1.00 0.00 H new ATOM 0 HA ASN A 615 -4.856 6.768 -9.621 1.00 0.00 H new ATOM 0 HB2 ASN A 615 -4.315 9.744 -9.444 1.00 0.00 H new ATOM 0 HB3 ASN A 615 -4.377 8.942 -11.002 1.00 0.00 H new ATOM 0 HD21 ASN A 615 -7.824 9.308 -8.710 1.00 0.00 H new ATOM 0 HD22 ASN A 615 -6.228 9.374 -7.956 1.00 0.00 H new ATOM 1060 N SER A 616 -1.816 7.524 -8.951 1.00 0.00 N ATOM 1061 CA SER A 616 -0.419 7.288 -9.296 1.00 0.00 C ATOM 1062 C SER A 616 0.003 5.873 -8.914 1.00 0.00 C ATOM 1063 O SER A 616 0.412 5.083 -9.766 1.00 0.00 O ATOM 1064 CB SER A 616 0.480 8.309 -8.596 1.00 0.00 C ATOM 1065 OG SER A 616 0.147 9.631 -8.980 1.00 0.00 O ATOM 0 H SER A 616 -1.964 7.864 -8.001 1.00 0.00 H new ATOM 0 HA SER A 616 -0.312 7.401 -10.375 1.00 0.00 H new ATOM 0 HB2 SER A 616 0.380 8.205 -7.516 1.00 0.00 H new ATOM 0 HB3 SER A 616 1.523 8.108 -8.841 1.00 0.00 H new ATOM 0 HG SER A 616 -0.669 9.911 -8.516 1.00 0.00 H new ATOM 1071 N LEU A 617 -0.098 5.560 -7.627 1.00 0.00 N ATOM 1072 CA LEU A 617 0.274 4.240 -7.129 1.00 0.00 C ATOM 1073 C LEU A 617 -0.658 3.167 -7.684 1.00 0.00 C ATOM 1074 O LEU A 617 -0.332 1.979 -7.668 1.00 0.00 O ATOM 1075 CB LEU A 617 0.238 4.221 -5.600 1.00 0.00 C ATOM 1076 CG LEU A 617 1.305 5.059 -4.894 1.00 0.00 C ATOM 1077 CD1 LEU A 617 1.171 4.932 -3.384 1.00 0.00 C ATOM 1078 CD2 LEU A 617 2.697 4.639 -5.344 1.00 0.00 C ATOM 0 H LEU A 617 -0.434 6.202 -6.909 1.00 0.00 H new ATOM 0 HA LEU A 617 1.288 4.024 -7.465 1.00 0.00 H new ATOM 0 HB2 LEU A 617 -0.743 4.569 -5.275 1.00 0.00 H new ATOM 0 HB3 LEU A 617 0.336 3.188 -5.267 1.00 0.00 H new ATOM 0 HG LEU A 617 1.157 6.104 -5.165 1.00 0.00 H new ATOM 0 HD11 LEU A 617 1.938 5.535 -2.899 1.00 0.00 H new ATOM 0 HD12 LEU A 617 0.186 5.282 -3.075 1.00 0.00 H new ATOM 0 HD13 LEU A 617 1.293 3.888 -3.094 1.00 0.00 H new ATOM 0 HD21 LEU A 617 3.444 5.246 -4.832 1.00 0.00 H new ATOM 0 HD22 LEU A 617 2.856 3.588 -5.103 1.00 0.00 H new ATOM 0 HD23 LEU A 617 2.790 4.782 -6.421 1.00 0.00 H new ATOM 1090 N HIS A 618 -1.817 3.593 -8.175 1.00 0.00 N ATOM 1091 CA HIS A 618 -2.795 2.669 -8.738 1.00 0.00 C ATOM 1092 C HIS A 618 -2.107 1.589 -9.567 1.00 0.00 C ATOM 1093 O HIS A 618 -1.366 1.889 -10.503 1.00 0.00 O ATOM 1094 CB HIS A 618 -3.805 3.425 -9.601 1.00 0.00 C ATOM 1095 CG HIS A 618 -5.024 2.623 -9.937 1.00 0.00 C ATOM 1096 ND1 HIS A 618 -5.584 1.705 -9.074 1.00 0.00 N ATOM 1097 CD2 HIS A 618 -5.794 2.607 -11.051 1.00 0.00 C ATOM 1098 CE1 HIS A 618 -6.643 1.158 -9.642 1.00 0.00 C ATOM 1099 NE2 HIS A 618 -6.793 1.688 -10.842 1.00 0.00 N ATOM 0 H HIS A 618 -2.102 4.572 -8.194 1.00 0.00 H new ATOM 0 HA HIS A 618 -3.321 2.189 -7.913 1.00 0.00 H new ATOM 0 HB2 HIS A 618 -4.109 4.332 -9.079 1.00 0.00 H new ATOM 0 HB3 HIS A 618 -3.319 3.737 -10.525 1.00 0.00 H new ATOM 0 HD2 HIS A 618 -5.649 3.205 -11.938 1.00 0.00 H new ATOM 0 HE1 HIS A 618 -7.279 0.405 -9.200 1.00 0.00 H new ATOM 0 HE2 HIS A 618 -7.531 1.453 -11.506 1.00 0.00 H new ATOM 1108 N ARG A 619 -2.357 0.331 -9.217 1.00 0.00 N ATOM 1109 CA ARG A 619 -1.760 -0.793 -9.927 1.00 0.00 C ATOM 1110 C ARG A 619 -0.239 -0.768 -9.805 1.00 0.00 C ATOM 1111 O ARG A 619 0.475 -1.129 -10.740 1.00 0.00 O ATOM 1112 CB ARG A 619 -2.164 -0.764 -11.403 1.00 0.00 C ATOM 1113 CG ARG A 619 -3.513 -1.407 -11.678 1.00 0.00 C ATOM 1114 CD ARG A 619 -3.373 -2.894 -11.965 1.00 0.00 C ATOM 1115 NE ARG A 619 -3.172 -3.160 -13.387 1.00 0.00 N ATOM 1116 CZ ARG A 619 -4.141 -3.086 -14.293 1.00 0.00 C ATOM 1117 NH1 ARG A 619 -5.372 -2.756 -13.926 1.00 0.00 N ATOM 1118 NH2 ARG A 619 -3.880 -3.343 -15.568 1.00 0.00 N ATOM 0 H ARG A 619 -2.969 0.065 -8.446 1.00 0.00 H new ATOM 0 HA ARG A 619 -2.129 -1.713 -9.474 1.00 0.00 H new ATOM 0 HB2 ARG A 619 -2.188 0.271 -11.744 1.00 0.00 H new ATOM 0 HB3 ARG A 619 -1.401 -1.275 -11.990 1.00 0.00 H new ATOM 0 HG2 ARG A 619 -4.169 -1.261 -10.820 1.00 0.00 H new ATOM 0 HG3 ARG A 619 -3.986 -0.914 -12.528 1.00 0.00 H new ATOM 0 HD2 ARG A 619 -2.532 -3.295 -11.399 1.00 0.00 H new ATOM 0 HD3 ARG A 619 -4.266 -3.415 -11.621 1.00 0.00 H new ATOM 0 HE ARG A 619 -2.236 -3.417 -13.702 1.00 0.00 H new ATOM 0 HH11 ARG A 619 -5.576 -2.558 -12.946 1.00 0.00 H new ATOM 0 HH12 ARG A 619 -6.114 -2.700 -14.623 1.00 0.00 H new ATOM 0 HH21 ARG A 619 -2.935 -3.598 -15.854 1.00 0.00 H new ATOM 0 HH22 ARG A 619 -4.625 -3.286 -16.263 1.00 0.00 H new ATOM 1132 N TYR A 620 0.248 -0.340 -8.646 1.00 0.00 N ATOM 1133 CA TYR A 620 1.684 -0.265 -8.401 1.00 0.00 C ATOM 1134 C TYR A 620 2.285 -1.660 -8.257 1.00 0.00 C ATOM 1135 O TYR A 620 1.938 -2.408 -7.343 1.00 0.00 O ATOM 1136 CB TYR A 620 1.966 0.556 -7.142 1.00 0.00 C ATOM 1137 CG TYR A 620 3.375 0.396 -6.618 1.00 0.00 C ATOM 1138 CD1 TYR A 620 4.438 0.173 -7.484 1.00 0.00 C ATOM 1139 CD2 TYR A 620 3.642 0.465 -5.256 1.00 0.00 C ATOM 1140 CE1 TYR A 620 5.727 0.025 -7.009 1.00 0.00 C ATOM 1141 CE2 TYR A 620 4.928 0.320 -4.772 1.00 0.00 C ATOM 1142 CZ TYR A 620 5.967 0.100 -5.652 1.00 0.00 C ATOM 1143 OH TYR A 620 7.249 -0.047 -5.174 1.00 0.00 O ATOM 0 H TYR A 620 -0.330 -0.040 -7.861 1.00 0.00 H new ATOM 0 HA TYR A 620 2.148 0.225 -9.257 1.00 0.00 H new ATOM 0 HB2 TYR A 620 1.785 1.609 -7.357 1.00 0.00 H new ATOM 0 HB3 TYR A 620 1.262 0.264 -6.363 1.00 0.00 H new ATOM 0 HD1 TYR A 620 4.254 0.114 -8.547 1.00 0.00 H new ATOM 0 HD2 TYR A 620 2.830 0.635 -4.564 1.00 0.00 H new ATOM 0 HE1 TYR A 620 6.542 -0.148 -7.696 1.00 0.00 H new ATOM 0 HE2 TYR A 620 5.119 0.379 -3.711 1.00 0.00 H new ATOM 0 HH TYR A 620 7.245 0.034 -4.197 1.00 0.00 H new ATOM 1153 N LYS A 621 3.191 -2.004 -9.167 1.00 0.00 N ATOM 1154 CA LYS A 621 3.844 -3.307 -9.142 1.00 0.00 C ATOM 1155 C LYS A 621 4.504 -3.560 -7.790 1.00 0.00 C ATOM 1156 O LYS A 621 5.601 -3.069 -7.524 1.00 0.00 O ATOM 1157 CB LYS A 621 4.889 -3.398 -10.257 1.00 0.00 C ATOM 1158 CG LYS A 621 5.109 -4.810 -10.771 1.00 0.00 C ATOM 1159 CD LYS A 621 5.801 -5.679 -9.734 1.00 0.00 C ATOM 1160 CE LYS A 621 5.796 -7.144 -10.142 1.00 0.00 C ATOM 1161 NZ LYS A 621 4.421 -7.718 -10.134 1.00 0.00 N ATOM 0 H LYS A 621 3.489 -1.398 -9.931 1.00 0.00 H new ATOM 0 HA LYS A 621 3.082 -4.070 -9.303 1.00 0.00 H new ATOM 0 HB2 LYS A 621 4.579 -2.763 -11.087 1.00 0.00 H new ATOM 0 HB3 LYS A 621 5.836 -3.003 -9.889 1.00 0.00 H new ATOM 0 HG2 LYS A 621 4.150 -5.254 -11.038 1.00 0.00 H new ATOM 0 HG3 LYS A 621 5.710 -4.778 -11.680 1.00 0.00 H new ATOM 0 HD2 LYS A 621 6.829 -5.341 -9.601 1.00 0.00 H new ATOM 0 HD3 LYS A 621 5.302 -5.566 -8.772 1.00 0.00 H new ATOM 0 HE2 LYS A 621 6.226 -7.245 -11.139 1.00 0.00 H new ATOM 0 HE3 LYS A 621 6.431 -7.712 -9.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 621 4.478 -8.756 -10.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 621 3.910 -7.383 -9.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 621 3.914 -7.416 -10.990 1.00 0.00 H new ATOM 1175 N ILE A 622 3.829 -4.328 -6.942 1.00 0.00 N ATOM 1176 CA ILE A 622 4.352 -4.648 -5.620 1.00 0.00 C ATOM 1177 C ILE A 622 4.378 -6.155 -5.388 1.00 0.00 C ATOM 1178 O ILE A 622 3.665 -6.908 -6.050 1.00 0.00 O ATOM 1179 CB ILE A 622 3.517 -3.983 -4.509 1.00 0.00 C ATOM 1180 CG1 ILE A 622 3.807 -2.482 -4.452 1.00 0.00 C ATOM 1181 CG2 ILE A 622 3.808 -4.636 -3.166 1.00 0.00 C ATOM 1182 CD1 ILE A 622 3.427 -1.843 -3.135 1.00 0.00 C ATOM 0 H ILE A 622 2.919 -4.740 -7.147 1.00 0.00 H new ATOM 0 HA ILE A 622 5.370 -4.260 -5.581 1.00 0.00 H new ATOM 0 HB ILE A 622 2.460 -4.121 -4.737 1.00 0.00 H new ATOM 0 HG12 ILE A 622 4.869 -2.318 -4.633 1.00 0.00 H new ATOM 0 HG13 ILE A 622 3.266 -1.985 -5.257 1.00 0.00 H new ATOM 0 HG21 ILE A 622 3.211 -4.156 -2.391 1.00 0.00 H new ATOM 0 HG22 ILE A 622 3.556 -5.695 -3.214 1.00 0.00 H new ATOM 0 HG23 ILE A 622 4.866 -4.525 -2.929 1.00 0.00 H new ATOM 0 HD11 ILE A 622 3.661 -0.779 -3.166 1.00 0.00 H new ATOM 0 HD12 ILE A 622 2.359 -1.975 -2.961 1.00 0.00 H new ATOM 0 HD13 ILE A 622 3.987 -2.314 -2.327 1.00 0.00 H new ATOM 1194 N GLY A 623 5.206 -6.588 -4.442 1.00 0.00 N ATOM 1195 CA GLY A 623 5.308 -8.004 -4.138 1.00 0.00 C ATOM 1196 C GLY A 623 5.236 -8.870 -5.380 1.00 0.00 C ATOM 1197 O GLY A 623 6.132 -8.835 -6.223 1.00 0.00 O ATOM 0 H GLY A 623 5.807 -5.984 -3.881 1.00 0.00 H new ATOM 0 HA2 GLY A 623 6.248 -8.194 -3.620 1.00 0.00 H new ATOM 0 HA3 GLY A 623 4.505 -8.285 -3.456 1.00 0.00 H new ATOM 1201 N SER A 624 4.167 -9.652 -5.493 1.00 0.00 N ATOM 1202 CA SER A 624 3.983 -10.535 -6.638 1.00 0.00 C ATOM 1203 C SER A 624 2.667 -10.237 -7.349 1.00 0.00 C ATOM 1204 O SER A 624 2.232 -10.992 -8.219 1.00 0.00 O ATOM 1205 CB SER A 624 4.014 -11.998 -6.190 1.00 0.00 C ATOM 1206 OG SER A 624 4.299 -12.859 -7.279 1.00 0.00 O ATOM 0 H SER A 624 3.415 -9.692 -4.805 1.00 0.00 H new ATOM 0 HA SER A 624 4.801 -10.358 -7.337 1.00 0.00 H new ATOM 0 HB2 SER A 624 4.767 -12.128 -5.413 1.00 0.00 H new ATOM 0 HB3 SER A 624 3.053 -12.268 -5.751 1.00 0.00 H new ATOM 0 HG SER A 624 3.753 -12.602 -8.051 1.00 0.00 H new ATOM 1212 N LYS A 625 2.037 -9.129 -6.973 1.00 0.00 N ATOM 1213 CA LYS A 625 0.771 -8.728 -7.574 1.00 0.00 C ATOM 1214 C LYS A 625 0.577 -7.217 -7.478 1.00 0.00 C ATOM 1215 O LYS A 625 0.965 -6.593 -6.490 1.00 0.00 O ATOM 1216 CB LYS A 625 -0.394 -9.446 -6.889 1.00 0.00 C ATOM 1217 CG LYS A 625 -0.888 -8.745 -5.635 1.00 0.00 C ATOM 1218 CD LYS A 625 -1.422 -9.736 -4.615 1.00 0.00 C ATOM 1219 CE LYS A 625 -2.769 -10.301 -5.040 1.00 0.00 C ATOM 1220 NZ LYS A 625 -3.851 -9.282 -4.952 1.00 0.00 N ATOM 0 H LYS A 625 2.383 -8.493 -6.255 1.00 0.00 H new ATOM 0 HA LYS A 625 0.794 -9.008 -8.627 1.00 0.00 H new ATOM 0 HB2 LYS A 625 -1.220 -9.535 -7.595 1.00 0.00 H new ATOM 0 HB3 LYS A 625 -0.084 -10.459 -6.631 1.00 0.00 H new ATOM 0 HG2 LYS A 625 -0.074 -8.171 -5.194 1.00 0.00 H new ATOM 0 HG3 LYS A 625 -1.672 -8.035 -5.899 1.00 0.00 H new ATOM 0 HD2 LYS A 625 -0.708 -10.550 -4.489 1.00 0.00 H new ATOM 0 HD3 LYS A 625 -1.521 -9.246 -3.647 1.00 0.00 H new ATOM 0 HE2 LYS A 625 -2.701 -10.671 -6.063 1.00 0.00 H new ATOM 0 HE3 LYS A 625 -3.021 -11.153 -4.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 625 -4.730 -9.674 -5.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 625 -4.003 -9.022 -3.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 625 -3.577 -8.437 -5.493 1.00 0.00 H new ATOM 1234 N LYS A 626 -0.025 -6.636 -8.509 1.00 0.00 N ATOM 1235 CA LYS A 626 -0.273 -5.199 -8.541 1.00 0.00 C ATOM 1236 C LYS A 626 -1.286 -4.798 -7.473 1.00 0.00 C ATOM 1237 O LYS A 626 -2.226 -5.541 -7.187 1.00 0.00 O ATOM 1238 CB LYS A 626 -0.778 -4.778 -9.922 1.00 0.00 C ATOM 1239 CG LYS A 626 0.335 -4.507 -10.920 1.00 0.00 C ATOM 1240 CD LYS A 626 -0.103 -4.816 -12.342 1.00 0.00 C ATOM 1241 CE LYS A 626 0.943 -4.377 -13.355 1.00 0.00 C ATOM 1242 NZ LYS A 626 0.967 -2.897 -13.522 1.00 0.00 N ATOM 0 H LYS A 626 -0.351 -7.138 -9.335 1.00 0.00 H new ATOM 0 HA LYS A 626 0.668 -4.689 -8.334 1.00 0.00 H new ATOM 0 HB2 LYS A 626 -1.426 -5.561 -10.317 1.00 0.00 H new ATOM 0 HB3 LYS A 626 -1.388 -3.881 -9.819 1.00 0.00 H new ATOM 0 HG2 LYS A 626 0.640 -3.463 -10.851 1.00 0.00 H new ATOM 0 HG3 LYS A 626 1.206 -5.111 -10.667 1.00 0.00 H new ATOM 0 HD2 LYS A 626 -0.283 -5.886 -12.444 1.00 0.00 H new ATOM 0 HD3 LYS A 626 -1.047 -4.313 -12.551 1.00 0.00 H new ATOM 0 HE2 LYS A 626 1.926 -4.722 -13.035 1.00 0.00 H new ATOM 0 HE3 LYS A 626 0.737 -4.848 -14.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 626 1.593 -2.647 -14.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 626 0.005 -2.554 -13.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 626 1.319 -2.455 -12.649 1.00 0.00 H new ATOM 1256 N ILE A 627 -1.090 -3.621 -6.890 1.00 0.00 N ATOM 1257 CA ILE A 627 -1.988 -3.122 -5.856 1.00 0.00 C ATOM 1258 C ILE A 627 -2.993 -2.131 -6.434 1.00 0.00 C ATOM 1259 O ILE A 627 -2.682 -1.384 -7.363 1.00 0.00 O ATOM 1260 CB ILE A 627 -1.211 -2.441 -4.715 1.00 0.00 C ATOM 1261 CG1 ILE A 627 -0.432 -1.236 -5.247 1.00 0.00 C ATOM 1262 CG2 ILE A 627 -0.270 -3.433 -4.048 1.00 0.00 C ATOM 1263 CD1 ILE A 627 0.343 -0.497 -4.179 1.00 0.00 C ATOM 0 H ILE A 627 -0.317 -2.995 -7.116 1.00 0.00 H new ATOM 0 HA ILE A 627 -2.520 -3.985 -5.456 1.00 0.00 H new ATOM 0 HB ILE A 627 -1.924 -2.089 -3.970 1.00 0.00 H new ATOM 0 HG12 ILE A 627 0.260 -1.573 -6.019 1.00 0.00 H new ATOM 0 HG13 ILE A 627 -1.128 -0.545 -5.723 1.00 0.00 H new ATOM 0 HG21 ILE A 627 0.272 -2.936 -3.243 1.00 0.00 H new ATOM 0 HG22 ILE A 627 -0.846 -4.263 -3.639 1.00 0.00 H new ATOM 0 HG23 ILE A 627 0.440 -3.812 -4.783 1.00 0.00 H new ATOM 0 HD11 ILE A 627 0.870 0.344 -4.629 1.00 0.00 H new ATOM 0 HD12 ILE A 627 -0.346 -0.129 -3.419 1.00 0.00 H new ATOM 0 HD13 ILE A 627 1.064 -1.173 -3.719 1.00 0.00 H new ATOM 1275 N LEU A 628 -4.200 -2.128 -5.877 1.00 0.00 N ATOM 1276 CA LEU A 628 -5.252 -1.227 -6.335 1.00 0.00 C ATOM 1277 C LEU A 628 -5.541 -0.153 -5.291 1.00 0.00 C ATOM 1278 O LEU A 628 -6.142 -0.429 -4.252 1.00 0.00 O ATOM 1279 CB LEU A 628 -6.527 -2.014 -6.641 1.00 0.00 C ATOM 1280 CG LEU A 628 -6.337 -3.336 -7.386 1.00 0.00 C ATOM 1281 CD1 LEU A 628 -7.624 -4.146 -7.372 1.00 0.00 C ATOM 1282 CD2 LEU A 628 -5.880 -3.082 -8.815 1.00 0.00 C ATOM 0 H LEU A 628 -4.474 -2.739 -5.108 1.00 0.00 H new ATOM 0 HA LEU A 628 -4.907 -0.738 -7.246 1.00 0.00 H new ATOM 0 HB2 LEU A 628 -7.037 -2.220 -5.700 1.00 0.00 H new ATOM 0 HB3 LEU A 628 -7.189 -1.380 -7.230 1.00 0.00 H new ATOM 0 HG LEU A 628 -5.564 -3.911 -6.876 1.00 0.00 H new ATOM 0 HD11 LEU A 628 -7.470 -5.083 -7.907 1.00 0.00 H new ATOM 0 HD12 LEU A 628 -7.909 -4.359 -6.342 1.00 0.00 H new ATOM 0 HD13 LEU A 628 -8.417 -3.577 -7.858 1.00 0.00 H new ATOM 0 HD21 LEU A 628 -5.750 -4.034 -9.330 1.00 0.00 H new ATOM 0 HD22 LEU A 628 -6.630 -2.487 -9.336 1.00 0.00 H new ATOM 0 HD23 LEU A 628 -4.933 -2.543 -8.804 1.00 0.00 H new ATOM 1294 N VAL A 629 -5.112 1.072 -5.575 1.00 0.00 N ATOM 1295 CA VAL A 629 -5.328 2.189 -4.663 1.00 0.00 C ATOM 1296 C VAL A 629 -6.687 2.838 -4.901 1.00 0.00 C ATOM 1297 O VAL A 629 -7.206 2.823 -6.018 1.00 0.00 O ATOM 1298 CB VAL A 629 -4.228 3.256 -4.811 1.00 0.00 C ATOM 1299 CG1 VAL A 629 -4.291 4.252 -3.663 1.00 0.00 C ATOM 1300 CG2 VAL A 629 -2.857 2.601 -4.885 1.00 0.00 C ATOM 0 H VAL A 629 -4.612 1.317 -6.430 1.00 0.00 H new ATOM 0 HA VAL A 629 -5.295 1.783 -3.652 1.00 0.00 H new ATOM 0 HB VAL A 629 -4.396 3.799 -5.741 1.00 0.00 H new ATOM 0 HG11 VAL A 629 -3.506 4.998 -3.785 1.00 0.00 H new ATOM 0 HG12 VAL A 629 -5.263 4.745 -3.662 1.00 0.00 H new ATOM 0 HG13 VAL A 629 -4.149 3.728 -2.718 1.00 0.00 H new ATOM 0 HG21 VAL A 629 -2.092 3.370 -4.989 1.00 0.00 H new ATOM 0 HG22 VAL A 629 -2.677 2.031 -3.974 1.00 0.00 H new ATOM 0 HG23 VAL A 629 -2.819 1.932 -5.745 1.00 0.00 H new ATOM 1310 N SER A 630 -7.257 3.409 -3.845 1.00 0.00 N ATOM 1311 CA SER A 630 -8.558 4.062 -3.939 1.00 0.00 C ATOM 1312 C SER A 630 -8.833 4.905 -2.697 1.00 0.00 C ATOM 1313 O SER A 630 -8.505 4.509 -1.578 1.00 0.00 O ATOM 1314 CB SER A 630 -9.664 3.020 -4.117 1.00 0.00 C ATOM 1315 OG SER A 630 -9.498 2.301 -5.327 1.00 0.00 O ATOM 0 H SER A 630 -6.839 3.433 -2.915 1.00 0.00 H new ATOM 0 HA SER A 630 -8.545 4.719 -4.808 1.00 0.00 H new ATOM 0 HB2 SER A 630 -9.655 2.328 -3.275 1.00 0.00 H new ATOM 0 HB3 SER A 630 -10.636 3.513 -4.114 1.00 0.00 H new ATOM 0 HG SER A 630 -8.809 2.734 -5.873 1.00 0.00 H new ATOM 1321 N LEU A 631 -9.438 6.070 -2.903 1.00 0.00 N ATOM 1322 CA LEU A 631 -9.758 6.971 -1.802 1.00 0.00 C ATOM 1323 C LEU A 631 -10.950 6.452 -1.003 1.00 0.00 C ATOM 1324 O LEU A 631 -11.668 5.559 -1.451 1.00 0.00 O ATOM 1325 CB LEU A 631 -10.057 8.373 -2.334 1.00 0.00 C ATOM 1326 CG LEU A 631 -8.846 9.199 -2.767 1.00 0.00 C ATOM 1327 CD1 LEU A 631 -9.291 10.498 -3.421 1.00 0.00 C ATOM 1328 CD2 LEU A 631 -7.941 9.483 -1.576 1.00 0.00 C ATOM 0 H LEU A 631 -9.717 6.412 -3.823 1.00 0.00 H new ATOM 0 HA LEU A 631 -8.893 7.018 -1.140 1.00 0.00 H new ATOM 0 HB2 LEU A 631 -10.732 8.281 -3.185 1.00 0.00 H new ATOM 0 HB3 LEU A 631 -10.592 8.926 -1.562 1.00 0.00 H new ATOM 0 HG LEU A 631 -8.281 8.623 -3.499 1.00 0.00 H new ATOM 0 HD11 LEU A 631 -8.415 11.072 -3.722 1.00 0.00 H new ATOM 0 HD12 LEU A 631 -9.898 10.274 -4.298 1.00 0.00 H new ATOM 0 HD13 LEU A 631 -9.880 11.080 -2.711 1.00 0.00 H new ATOM 0 HD21 LEU A 631 -7.084 10.072 -1.903 1.00 0.00 H new ATOM 0 HD22 LEU A 631 -8.497 10.039 -0.821 1.00 0.00 H new ATOM 0 HD23 LEU A 631 -7.593 8.542 -1.151 1.00 0.00 H new ATOM 1340 N ALA A 632 -11.155 7.021 0.180 1.00 0.00 N ATOM 1341 CA ALA A 632 -12.262 6.619 1.039 1.00 0.00 C ATOM 1342 C ALA A 632 -12.962 7.835 1.637 1.00 0.00 C ATOM 1343 O ALA A 632 -12.363 8.901 1.781 1.00 0.00 O ATOM 1344 CB ALA A 632 -11.766 5.698 2.143 1.00 0.00 C ATOM 0 H ALA A 632 -10.569 7.762 0.566 1.00 0.00 H new ATOM 0 HA ALA A 632 -12.986 6.079 0.428 1.00 0.00 H new ATOM 0 HB1 ALA A 632 -12.603 5.406 2.777 1.00 0.00 H new ATOM 0 HB2 ALA A 632 -11.318 4.808 1.701 1.00 0.00 H new ATOM 0 HB3 ALA A 632 -11.021 6.219 2.744 1.00 0.00 H new