USER MOD reduce.3.24.130724 H: found=0, std=0, add=1244, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1247 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: B 626 GLN : amide:sc= -2.14 X(o=-4.7,f=-4.8) USER MOD Set 1.2: B 629 GLN : amide:sc= -2.57! K(o=-4.7!,f=-3) USER MOD Set 2.1: B 593 GLN : amide:sc= 0.446 K(o=0.92,f=-3.3) USER MOD Set 2.2: B 594 LYS NZ :NH3+ -137:sc= 0.477 (180deg=0) USER MOD Set 3.1: A 20 ASN : amide:sc= -0.0923 K(o=-0.092,f=-1.2) USER MOD Set 3.2: B 534 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 151:sc= 0.00122 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.181 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 8 ASN : amide:sc= -0.377 X(o=-0.38,f=-0.25) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ -110:sc= -1.11 (180deg=-3.56!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 CYS SG : rot 180:sc= 0 USER MOD Single : B 505 SER OG : rot 29:sc= 0.375 USER MOD Single : B 508 MET CE :methyl -110:sc= -0.654 (180deg=-2.02) USER MOD Single : B 509 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 514 LYS NZ :NH3+ 163:sc= -0.0471 (180deg=-0.343) USER MOD Single : B 519 THR OG1 : rot 79:sc= 0.786 USER MOD Single : B 522 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 528 CYS SG : rot 140:sc= -0.288 USER MOD Single : B 530 GLN : amide:sc= -0.0171 X(o=-0.017,f=0) USER MOD Single : B 531 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 536 ASN : amide:sc= -1.41 K(o=-1.4,f=1.1) USER MOD Single : B 537 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 542 SER OG : rot -58:sc= 1.23 USER MOD Single : B 543 ASN : amide:sc= -1.82 K(o=-1.8,f=0) USER MOD Single : B 545 MET CE :methyl 138:sc= -3.39! (180deg=-5.48!) USER MOD Single : B 546 TYR OH : rot 180:sc= 0 USER MOD Single : B 550 GLN : amide:sc= -0.113 X(o=-0.11,f=-0.31) USER MOD Single : B 551 TYR OH : rot 180:sc= 0 USER MOD Single : B 558 HIS : no HD1:sc= -1.37 X(o=-1.4,f=-1.8) USER MOD Single : B 560 LYS NZ :NH3+ -168:sc= -0.0208 (180deg=-0.193) USER MOD Single : B 563 LYS NZ :NH3+ -142:sc= -1.58 (180deg=-3.95!) USER MOD Single : B 564 THR OG1 : rot 88:sc= 1.27 USER MOD Single : B 567 ASN : amide:sc= -0.154 X(o=-0.15,f=0) USER MOD Single : B 568 LYS NZ :NH3+ -163:sc= -2.27 (180deg=-3.27!) USER MOD Single : B 573 MET CE :methyl -142:sc= -0.771 (180deg=-2.84) USER MOD Single : B 574 HIS : no HD1:sc= -2.91! C(o=-2.9!,f=-6!) USER MOD Single : B 576 THR OG1 : rot -22:sc= 0.203 USER MOD Single : B 577 HIS : no HD1:sc= -1.99 K(o=-2,f=-4.5!) USER MOD Single : B 581 GLN : amide:sc= -4.68! K(o=-4.7!,f=-0.58) USER MOD Single : B 583 MET CE :methyl -137:sc= -1.21 (180deg=-3.74!) USER MOD Single : B 585 CYS SG : rot 76:sc= -0.0587 USER MOD Single : B 587 THR OG1 : rot 80:sc= 0.206 USER MOD Single : B 590 LYS NZ :NH3+ 133:sc= -0.0263 (180deg=-0.235) USER MOD Single : B 595 CYS SG : rot -61:sc= -0.716 USER MOD Single : B 598 HIS : no HE2:sc= -2.88! C(o=-2.9!,f=-7.2!) USER MOD Single : B 601 GLN : amide:sc= -0.933 K(o=-0.93,f=0) USER MOD Single : B 603 GLN : amide:sc= -3.2! K(o=-3.2!,f=-2.4) USER MOD Single : B 608 MET CE :methyl 157:sc= -0.196 (180deg=-0.794) USER MOD Single : B 616 ASN : amide:sc= -0.343 K(o=-0.34,f=-1.2) USER MOD Single : B 617 ASN : amide:sc= -7.71! C(o=-7.7!,f=-3.9!) USER MOD Single : B 619 ASN : amide:sc= -0.0121 K(o=-0.012,f=-0.92) USER MOD Single : B 620 THR OG1 : rot -28:sc= -0.43 USER MOD Single : B 623 CYS SG : rot -102:sc= -0.381 USER MOD Single : B 628 GLN : amide:sc= -0.762 K(o=-0.76,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 25.745 7.412 6.077 1.00 9.86 N ATOM 2 CA GLY A 1 24.535 7.724 6.887 1.00 9.49 C ATOM 3 C GLY A 1 24.079 6.547 7.727 1.00 8.77 C ATOM 4 O GLY A 1 24.161 5.397 7.293 1.00 8.88 O ATOM 0 H1 GLY A 1 25.740 7.987 5.210 1.00 9.86 H new ATOM 0 H2 GLY A 1 26.599 7.627 6.631 1.00 9.86 H new ATOM 0 H3 GLY A 1 25.742 6.403 5.823 1.00 9.86 H new ATOM 0 HA2 GLY A 1 24.747 8.571 7.539 1.00 9.49 H new ATOM 0 HA3 GLY A 1 23.726 8.028 6.223 1.00 9.49 H new ATOM 10 N SER A 2 23.594 6.835 8.931 1.00 8.31 N ATOM 11 CA SER A 2 23.122 5.793 9.837 1.00 7.88 C ATOM 12 C SER A 2 21.667 5.438 9.550 1.00 7.19 C ATOM 13 O SER A 2 21.341 4.279 9.292 1.00 7.34 O ATOM 14 CB SER A 2 23.272 6.247 11.290 1.00 8.41 C ATOM 15 OG SER A 2 22.541 7.436 11.532 1.00 8.78 O ATOM 0 H SER A 2 23.517 7.782 9.302 1.00 8.31 H new ATOM 0 HA SER A 2 23.731 4.903 9.676 1.00 7.88 H new ATOM 0 HB2 SER A 2 22.923 5.460 11.958 1.00 8.41 H new ATOM 0 HB3 SER A 2 24.326 6.412 11.516 1.00 8.41 H new ATOM 0 HG SER A 2 22.652 7.704 12.468 1.00 8.78 H new ATOM 21 N ALA A 3 20.796 6.444 9.597 1.00 6.75 N ATOM 22 CA ALA A 3 19.375 6.247 9.339 1.00 6.38 C ATOM 23 C ALA A 3 18.770 5.235 10.305 1.00 5.72 C ATOM 24 O ALA A 3 18.714 4.039 10.014 1.00 5.87 O ATOM 25 CB ALA A 3 19.155 5.801 7.901 1.00 6.82 C ATOM 0 H ALA A 3 21.053 7.407 9.813 1.00 6.75 H new ATOM 0 HA ALA A 3 18.872 7.201 9.495 1.00 6.38 H new ATOM 0 HB1 ALA A 3 18.089 5.658 7.723 1.00 6.82 H new ATOM 0 HB2 ALA A 3 19.537 6.563 7.221 1.00 6.82 H new ATOM 0 HB3 ALA A 3 19.681 4.862 7.727 1.00 6.82 H new ATOM 31 N SER A 4 18.313 5.721 11.456 1.00 5.38 N ATOM 32 CA SER A 4 17.709 4.857 12.463 1.00 5.10 C ATOM 33 C SER A 4 16.304 4.437 12.042 1.00 4.43 C ATOM 34 O SER A 4 16.059 3.268 11.742 1.00 4.55 O ATOM 35 CB SER A 4 17.657 5.569 13.817 1.00 5.78 C ATOM 36 OG SER A 4 17.081 4.736 14.809 1.00 6.25 O ATOM 0 H SER A 4 18.350 6.707 11.713 1.00 5.38 H new ATOM 0 HA SER A 4 18.326 3.964 12.557 1.00 5.10 H new ATOM 0 HB2 SER A 4 18.664 5.857 14.119 1.00 5.78 H new ATOM 0 HB3 SER A 4 17.077 6.487 13.727 1.00 5.78 H new ATOM 0 HG SER A 4 17.061 5.213 15.665 1.00 6.25 H new ATOM 42 N GLY A 5 15.385 5.400 12.020 1.00 4.12 N ATOM 43 CA GLY A 5 14.015 5.113 11.633 1.00 3.78 C ATOM 44 C GLY A 5 13.134 6.348 11.646 1.00 3.46 C ATOM 45 O GLY A 5 13.401 7.303 12.376 1.00 3.82 O ATOM 0 H GLY A 5 15.566 6.374 12.263 1.00 4.12 H new ATOM 0 HA2 GLY A 5 14.007 4.676 10.634 1.00 3.78 H new ATOM 0 HA3 GLY A 5 13.599 4.367 12.310 1.00 3.78 H new ATOM 49 N ASN A 6 12.078 6.324 10.837 1.00 3.11 N ATOM 50 CA ASN A 6 11.146 7.445 10.745 1.00 2.93 C ATOM 51 C ASN A 6 9.883 7.032 9.998 1.00 2.42 C ATOM 52 O ASN A 6 8.776 7.431 10.359 1.00 2.39 O ATOM 53 CB ASN A 6 11.803 8.631 10.035 1.00 3.19 C ATOM 54 CG ASN A 6 10.854 9.801 9.865 1.00 3.56 C ATOM 55 OD1 ASN A 6 10.153 9.906 8.857 1.00 3.97 O ATOM 56 ND2 ASN A 6 10.825 10.689 10.850 1.00 4.03 N ATOM 0 H ASN A 6 11.845 5.536 10.233 1.00 3.11 H new ATOM 0 HA ASN A 6 10.875 7.744 11.757 1.00 2.93 H new ATOM 0 HB2 ASN A 6 12.675 8.954 10.604 1.00 3.19 H new ATOM 0 HB3 ASN A 6 12.161 8.312 9.056 1.00 3.19 H new ATOM 0 HD21 ASN A 6 10.205 11.497 10.790 1.00 4.03 H new ATOM 0 HD22 ASN A 6 11.422 10.564 11.667 1.00 4.03 H new ATOM 63 N LEU A 7 10.061 6.227 8.955 1.00 2.21 N ATOM 64 CA LEU A 7 8.941 5.753 8.146 1.00 1.95 C ATOM 65 C LEU A 7 7.968 4.924 8.980 1.00 2.03 C ATOM 66 O LEU A 7 6.836 4.679 8.565 1.00 2.04 O ATOM 67 CB LEU A 7 9.456 4.922 6.967 1.00 2.09 C ATOM 68 CG LEU A 7 9.860 5.716 5.720 1.00 1.70 C ATOM 69 CD1 LEU A 7 8.629 6.259 5.008 1.00 2.02 C ATOM 70 CD2 LEU A 7 10.813 6.848 6.083 1.00 2.01 C ATOM 0 H LEU A 7 10.973 5.888 8.649 1.00 2.21 H new ATOM 0 HA LEU A 7 8.408 6.625 7.767 1.00 1.95 H new ATOM 0 HB2 LEU A 7 10.317 4.344 7.302 1.00 2.09 H new ATOM 0 HB3 LEU A 7 8.683 4.207 6.685 1.00 2.09 H new ATOM 0 HG LEU A 7 10.379 5.040 5.041 1.00 1.70 H new ATOM 0 HD11 LEU A 7 8.937 6.820 4.125 1.00 2.02 H new ATOM 0 HD12 LEU A 7 7.988 5.431 4.706 1.00 2.02 H new ATOM 0 HD13 LEU A 7 8.079 6.916 5.682 1.00 2.02 H new ATOM 0 HD21 LEU A 7 11.086 7.397 5.182 1.00 2.01 H new ATOM 0 HD22 LEU A 7 10.325 7.523 6.786 1.00 2.01 H new ATOM 0 HD23 LEU A 7 11.711 6.434 6.542 1.00 2.01 H new ATOM 82 N ASN A 8 8.417 4.496 10.156 1.00 2.30 N ATOM 83 CA ASN A 8 7.588 3.691 11.045 1.00 2.54 C ATOM 84 C ASN A 8 6.378 4.479 11.540 1.00 2.33 C ATOM 85 O ASN A 8 5.297 3.920 11.723 1.00 2.42 O ATOM 86 CB ASN A 8 8.413 3.198 12.236 1.00 3.04 C ATOM 87 CG ASN A 8 8.933 4.337 13.091 1.00 3.36 C ATOM 88 OD1 ASN A 8 10.029 4.848 12.864 1.00 3.79 O ATOM 89 ND2 ASN A 8 8.144 4.739 14.081 1.00 3.72 N ATOM 0 H ASN A 8 9.351 4.694 10.515 1.00 2.30 H new ATOM 0 HA ASN A 8 7.226 2.833 10.479 1.00 2.54 H new ATOM 0 HB2 ASN A 8 7.801 2.537 12.850 1.00 3.04 H new ATOM 0 HB3 ASN A 8 9.254 2.607 11.872 1.00 3.04 H new ATOM 0 HD21 ASN A 8 8.439 5.502 14.691 1.00 3.72 H new ATOM 0 HD22 ASN A 8 7.243 4.285 14.231 1.00 3.72 H new ATOM 96 N GLU A 9 6.567 5.778 11.760 1.00 2.24 N ATOM 97 CA GLU A 9 5.485 6.636 12.236 1.00 2.25 C ATOM 98 C GLU A 9 4.551 7.012 11.091 1.00 1.83 C ATOM 99 O GLU A 9 3.384 7.340 11.311 1.00 1.95 O ATOM 100 CB GLU A 9 6.054 7.899 12.887 1.00 2.63 C ATOM 101 CG GLU A 9 4.990 8.823 13.460 1.00 3.15 C ATOM 102 CD GLU A 9 5.577 10.074 14.081 1.00 3.69 C ATOM 103 OE1 GLU A 9 5.866 11.031 13.331 1.00 4.17 O ATOM 104 OE2 GLU A 9 5.749 10.098 15.318 1.00 4.02 O ATOM 0 H GLU A 9 7.456 6.258 11.617 1.00 2.24 H new ATOM 0 HA GLU A 9 4.913 6.082 12.981 1.00 2.25 H new ATOM 0 HB2 GLU A 9 6.739 7.609 13.684 1.00 2.63 H new ATOM 0 HB3 GLU A 9 6.639 8.447 12.148 1.00 2.63 H new ATOM 0 HG2 GLU A 9 4.296 9.106 12.669 1.00 3.15 H new ATOM 0 HG3 GLU A 9 4.414 8.285 14.212 1.00 3.15 H new ATOM 111 N LEU A 10 5.071 6.960 9.871 1.00 1.57 N ATOM 112 CA LEU A 10 4.285 7.291 8.689 1.00 1.57 C ATOM 113 C LEU A 10 3.342 6.147 8.330 1.00 1.64 C ATOM 114 O LEU A 10 2.427 6.313 7.524 1.00 1.93 O ATOM 115 CB LEU A 10 5.206 7.602 7.506 1.00 1.77 C ATOM 116 CG LEU A 10 5.867 8.984 7.532 1.00 2.02 C ATOM 117 CD1 LEU A 10 6.761 9.136 8.754 1.00 2.38 C ATOM 118 CD2 LEU A 10 6.669 9.213 6.260 1.00 2.58 C ATOM 0 H LEU A 10 6.035 6.691 9.674 1.00 1.57 H new ATOM 0 HA LEU A 10 3.688 8.175 8.914 1.00 1.57 H new ATOM 0 HB2 LEU A 10 5.989 6.844 7.468 1.00 1.77 H new ATOM 0 HB3 LEU A 10 4.630 7.511 6.585 1.00 1.77 H new ATOM 0 HG LEU A 10 5.079 9.735 7.590 1.00 2.02 H new ATOM 0 HD11 LEU A 10 7.219 10.125 8.749 1.00 2.38 H new ATOM 0 HD12 LEU A 10 6.164 9.016 9.658 1.00 2.38 H new ATOM 0 HD13 LEU A 10 7.541 8.375 8.731 1.00 2.38 H new ATOM 0 HD21 LEU A 10 7.132 10.199 6.294 1.00 2.58 H new ATOM 0 HD22 LEU A 10 7.444 8.451 6.176 1.00 2.58 H new ATOM 0 HD23 LEU A 10 6.007 9.153 5.396 1.00 2.58 H new ATOM 130 N ALA A 11 3.575 4.987 8.936 1.00 1.78 N ATOM 131 CA ALA A 11 2.751 3.811 8.684 1.00 2.22 C ATOM 132 C ALA A 11 1.447 3.867 9.474 1.00 2.09 C ATOM 133 O ALA A 11 0.382 3.533 8.954 1.00 2.30 O ATOM 134 CB ALA A 11 3.520 2.546 9.033 1.00 2.84 C ATOM 0 H ALA A 11 4.329 4.837 9.606 1.00 1.78 H new ATOM 0 HA ALA A 11 2.502 3.798 7.623 1.00 2.22 H new ATOM 0 HB1 ALA A 11 2.894 1.675 8.840 1.00 2.84 H new ATOM 0 HB2 ALA A 11 4.421 2.488 8.422 1.00 2.84 H new ATOM 0 HB3 ALA A 11 3.797 2.568 10.087 1.00 2.84 H new ATOM 140 N LEU A 12 1.539 4.288 10.731 1.00 2.00 N ATOM 141 CA LEU A 12 0.367 4.381 11.596 1.00 2.17 C ATOM 142 C LEU A 12 -0.676 5.331 11.014 1.00 1.91 C ATOM 143 O LEU A 12 -1.860 5.237 11.335 1.00 2.14 O ATOM 144 CB LEU A 12 0.776 4.847 12.996 1.00 2.63 C ATOM 145 CG LEU A 12 -0.369 4.946 14.008 1.00 3.09 C ATOM 146 CD1 LEU A 12 -1.022 3.587 14.214 1.00 3.67 C ATOM 147 CD2 LEU A 12 0.136 5.505 15.330 1.00 3.46 C ATOM 0 H LEU A 12 2.413 4.570 11.174 1.00 2.00 H new ATOM 0 HA LEU A 12 -0.078 3.388 11.665 1.00 2.17 H new ATOM 0 HB2 LEU A 12 1.527 4.159 13.386 1.00 2.63 H new ATOM 0 HB3 LEU A 12 1.252 5.824 12.912 1.00 2.63 H new ATOM 0 HG LEU A 12 -1.121 5.628 13.611 1.00 3.09 H new ATOM 0 HD11 LEU A 12 -1.833 3.679 14.936 1.00 3.67 H new ATOM 0 HD12 LEU A 12 -1.420 3.227 13.265 1.00 3.67 H new ATOM 0 HD13 LEU A 12 -0.281 2.880 14.588 1.00 3.67 H new ATOM 0 HD21 LEU A 12 -0.691 5.569 16.038 1.00 3.46 H new ATOM 0 HD22 LEU A 12 0.908 4.848 15.732 1.00 3.46 H new ATOM 0 HD23 LEU A 12 0.553 6.499 15.169 1.00 3.46 H new ATOM 159 N LYS A 13 -0.231 6.242 10.156 1.00 1.79 N ATOM 160 CA LYS A 13 -1.132 7.205 9.535 1.00 2.05 C ATOM 161 C LYS A 13 -2.037 6.523 8.512 1.00 1.82 C ATOM 162 O LYS A 13 -3.251 6.722 8.517 1.00 2.14 O ATOM 163 CB LYS A 13 -0.335 8.324 8.860 1.00 2.54 C ATOM 164 CG LYS A 13 0.615 9.049 9.801 1.00 3.11 C ATOM 165 CD LYS A 13 -0.138 9.852 10.852 1.00 3.66 C ATOM 166 CE LYS A 13 0.817 10.564 11.795 1.00 4.38 C ATOM 167 NZ LYS A 13 0.095 11.383 12.809 1.00 4.93 N ATOM 0 H LYS A 13 0.745 6.334 9.875 1.00 1.79 H new ATOM 0 HA LYS A 13 -1.756 7.635 10.318 1.00 2.05 H new ATOM 0 HB2 LYS A 13 0.237 7.903 8.033 1.00 2.54 H new ATOM 0 HB3 LYS A 13 -1.030 9.046 8.432 1.00 2.54 H new ATOM 0 HG2 LYS A 13 1.264 8.324 10.293 1.00 3.11 H new ATOM 0 HG3 LYS A 13 1.259 9.715 9.226 1.00 3.11 H new ATOM 0 HD2 LYS A 13 -0.781 10.583 10.362 1.00 3.66 H new ATOM 0 HD3 LYS A 13 -0.788 9.188 11.422 1.00 3.66 H new ATOM 0 HE2 LYS A 13 1.442 9.828 12.302 1.00 4.38 H new ATOM 0 HE3 LYS A 13 1.484 11.206 11.219 1.00 4.38 H new ATOM 0 HZ1 LYS A 13 0.784 11.851 13.432 1.00 4.93 H new ATOM 0 HZ2 LYS A 13 -0.482 12.102 12.328 1.00 4.93 H new ATOM 0 HZ3 LYS A 13 -0.522 10.768 13.377 1.00 4.93 H new ATOM 181 N LEU A 14 -1.436 5.717 7.641 1.00 1.64 N ATOM 182 CA LEU A 14 -2.185 5.006 6.608 1.00 1.80 C ATOM 183 C LEU A 14 -3.273 4.128 7.222 1.00 1.73 C ATOM 184 O LEU A 14 -4.229 3.746 6.547 1.00 1.92 O ATOM 185 CB LEU A 14 -1.235 4.153 5.758 1.00 2.37 C ATOM 186 CG LEU A 14 -1.889 3.396 4.598 1.00 2.77 C ATOM 187 CD1 LEU A 14 -2.532 4.363 3.616 1.00 3.27 C ATOM 188 CD2 LEU A 14 -0.864 2.520 3.892 1.00 3.08 C ATOM 0 H LEU A 14 -0.432 5.540 7.630 1.00 1.64 H new ATOM 0 HA LEU A 14 -2.667 5.747 5.970 1.00 1.80 H new ATOM 0 HB2 LEU A 14 -0.457 4.800 5.354 1.00 2.37 H new ATOM 0 HB3 LEU A 14 -0.743 3.431 6.409 1.00 2.37 H new ATOM 0 HG LEU A 14 -2.672 2.756 5.005 1.00 2.77 H new ATOM 0 HD11 LEU A 14 -2.990 3.803 2.801 1.00 3.27 H new ATOM 0 HD12 LEU A 14 -3.296 4.948 4.129 1.00 3.27 H new ATOM 0 HD13 LEU A 14 -1.772 5.032 3.214 1.00 3.27 H new ATOM 0 HD21 LEU A 14 -1.344 1.989 3.070 1.00 3.08 H new ATOM 0 HD22 LEU A 14 -0.060 3.144 3.501 1.00 3.08 H new ATOM 0 HD23 LEU A 14 -0.453 1.799 4.599 1.00 3.08 H new ATOM 200 N ALA A 15 -3.122 3.815 8.506 1.00 1.91 N ATOM 201 CA ALA A 15 -4.091 2.983 9.213 1.00 2.49 C ATOM 202 C ALA A 15 -5.477 3.618 9.203 1.00 2.42 C ATOM 203 O ALA A 15 -6.476 2.955 9.489 1.00 2.94 O ATOM 204 CB ALA A 15 -3.630 2.737 10.642 1.00 3.13 C ATOM 0 H ALA A 15 -2.337 4.125 9.079 1.00 1.91 H new ATOM 0 HA ALA A 15 -4.158 2.027 8.693 1.00 2.49 H new ATOM 0 HB1 ALA A 15 -4.361 2.115 11.158 1.00 3.13 H new ATOM 0 HB2 ALA A 15 -2.666 2.229 10.631 1.00 3.13 H new ATOM 0 HB3 ALA A 15 -3.532 3.690 11.162 1.00 3.13 H new ATOM 210 N GLY A 16 -5.533 4.903 8.868 1.00 2.11 N ATOM 211 CA GLY A 16 -6.800 5.608 8.826 1.00 2.47 C ATOM 212 C GLY A 16 -7.299 5.822 7.411 1.00 2.01 C ATOM 213 O GLY A 16 -7.157 6.911 6.855 1.00 2.42 O ATOM 0 H GLY A 16 -4.721 5.470 8.624 1.00 2.11 H new ATOM 0 HA2 GLY A 16 -7.544 5.045 9.389 1.00 2.47 H new ATOM 0 HA3 GLY A 16 -6.691 6.574 9.319 1.00 2.47 H new ATOM 217 N LEU A 17 -7.885 4.781 6.827 1.00 1.81 N ATOM 218 CA LEU A 17 -8.410 4.861 5.468 1.00 1.49 C ATOM 219 C LEU A 17 -9.702 4.057 5.346 1.00 1.60 C ATOM 220 O LEU A 17 -9.675 2.865 5.040 1.00 2.14 O ATOM 221 CB LEU A 17 -7.368 4.347 4.466 1.00 1.49 C ATOM 222 CG LEU A 17 -7.554 4.819 3.019 1.00 1.48 C ATOM 223 CD1 LEU A 17 -6.284 4.586 2.217 1.00 2.01 C ATOM 224 CD2 LEU A 17 -8.732 4.111 2.363 1.00 2.03 C ATOM 0 H LEU A 17 -8.008 3.872 7.274 1.00 1.81 H new ATOM 0 HA LEU A 17 -8.629 5.905 5.242 1.00 1.49 H new ATOM 0 HB2 LEU A 17 -6.379 4.656 4.806 1.00 1.49 H new ATOM 0 HB3 LEU A 17 -7.384 3.257 4.479 1.00 1.49 H new ATOM 0 HG LEU A 17 -7.766 5.888 3.036 1.00 1.48 H new ATOM 0 HD11 LEU A 17 -6.433 4.926 1.192 1.00 2.01 H new ATOM 0 HD12 LEU A 17 -5.462 5.142 2.668 1.00 2.01 H new ATOM 0 HD13 LEU A 17 -6.045 3.523 2.215 1.00 2.01 H new ATOM 0 HD21 LEU A 17 -8.843 4.463 1.337 1.00 2.03 H new ATOM 0 HD22 LEU A 17 -8.554 3.036 2.360 1.00 2.03 H new ATOM 0 HD23 LEU A 17 -9.643 4.327 2.921 1.00 2.03 H new ATOM 236 N ASP A 18 -10.828 4.718 5.591 1.00 1.65 N ATOM 237 CA ASP A 18 -12.130 4.068 5.508 1.00 2.11 C ATOM 238 C ASP A 18 -12.658 4.091 4.077 1.00 1.91 C ATOM 239 O ASP A 18 -12.186 4.865 3.244 1.00 2.04 O ATOM 240 CB ASP A 18 -13.130 4.749 6.445 1.00 2.91 C ATOM 241 CG ASP A 18 -12.680 4.721 7.892 1.00 3.44 C ATOM 242 OD1 ASP A 18 -12.959 3.717 8.581 1.00 3.92 O ATOM 243 OD2 ASP A 18 -12.048 5.702 8.337 1.00 3.79 O ATOM 0 H ASP A 18 -10.865 5.704 5.849 1.00 1.65 H new ATOM 0 HA ASP A 18 -12.008 3.030 5.816 1.00 2.11 H new ATOM 0 HB2 ASP A 18 -13.271 5.783 6.131 1.00 2.91 H new ATOM 0 HB3 ASP A 18 -14.098 4.255 6.359 1.00 2.91 H new ATOM 248 N ILE A 19 -13.637 3.237 3.802 1.00 2.16 N ATOM 249 CA ILE A 19 -14.232 3.157 2.475 1.00 2.28 C ATOM 250 C ILE A 19 -15.532 2.358 2.507 1.00 2.90 C ATOM 251 O ILE A 19 -16.491 2.685 1.808 1.00 3.25 O ATOM 252 CB ILE A 19 -13.261 2.517 1.462 1.00 2.05 C ATOM 253 CG1 ILE A 19 -13.925 2.394 0.087 1.00 1.84 C ATOM 254 CG2 ILE A 19 -12.794 1.157 1.963 1.00 2.78 C ATOM 255 CD1 ILE A 19 -12.982 1.952 -1.009 1.00 1.64 C ATOM 0 H ILE A 19 -14.036 2.590 4.482 1.00 2.16 H new ATOM 0 HA ILE A 19 -14.447 4.177 2.157 1.00 2.28 H new ATOM 0 HB ILE A 19 -12.388 3.162 1.360 1.00 2.05 H new ATOM 0 HG12 ILE A 19 -14.748 1.683 0.154 1.00 1.84 H new ATOM 0 HG13 ILE A 19 -14.357 3.357 -0.185 1.00 1.84 H new ATOM 0 HG21 ILE A 19 -12.109 0.718 1.238 1.00 2.78 H new ATOM 0 HG22 ILE A 19 -12.283 1.277 2.918 1.00 2.78 H new ATOM 0 HG23 ILE A 19 -13.655 0.502 2.092 1.00 2.78 H new ATOM 0 HD11 ILE A 19 -13.525 1.888 -1.952 1.00 1.64 H new ATOM 0 HD12 ILE A 19 -12.172 2.675 -1.105 1.00 1.64 H new ATOM 0 HD13 ILE A 19 -12.569 0.974 -0.761 1.00 1.64 H new ATOM 267 N ASN A 20 -15.555 1.309 3.323 1.00 3.46 N ATOM 268 CA ASN A 20 -16.736 0.462 3.451 1.00 4.28 C ATOM 269 C ASN A 20 -16.819 -0.142 4.849 1.00 4.91 C ATOM 270 O ASN A 20 -17.430 0.440 5.746 1.00 5.31 O ATOM 271 CB ASN A 20 -16.712 -0.645 2.394 1.00 4.79 C ATOM 272 CG ASN A 20 -17.956 -1.512 2.439 1.00 5.35 C ATOM 273 OD1 ASN A 20 -18.000 -2.520 3.144 1.00 5.63 O ATOM 274 ND2 ASN A 20 -18.975 -1.125 1.680 1.00 5.95 N ATOM 0 H ASN A 20 -14.768 1.025 3.906 1.00 3.46 H new ATOM 0 HA ASN A 20 -17.620 1.080 3.292 1.00 4.28 H new ATOM 0 HB2 ASN A 20 -16.620 -0.197 1.404 1.00 4.79 H new ATOM 0 HB3 ASN A 20 -15.831 -1.269 2.545 1.00 4.79 H new ATOM 0 HD21 ASN A 20 -19.837 -1.670 1.666 1.00 5.95 H new ATOM 0 HD22 ASN A 20 -18.896 -0.282 1.111 1.00 5.95 H new ATOM 281 N LYS A 21 -16.193 -1.306 5.032 1.00 5.40 N ATOM 282 CA LYS A 21 -16.196 -1.992 6.322 1.00 6.25 C ATOM 283 C LYS A 21 -17.622 -2.194 6.836 1.00 6.80 C ATOM 284 O LYS A 21 -18.241 -3.228 6.585 1.00 7.04 O ATOM 285 CB LYS A 21 -15.367 -1.208 7.345 1.00 6.80 C ATOM 286 CG LYS A 21 -15.276 -1.884 8.704 1.00 7.47 C ATOM 287 CD LYS A 21 -14.463 -1.060 9.696 1.00 8.15 C ATOM 288 CE LYS A 21 -12.976 -1.085 9.371 1.00 8.86 C ATOM 289 NZ LYS A 21 -12.623 -0.132 8.282 1.00 9.39 N ATOM 0 H LYS A 21 -15.676 -1.793 4.300 1.00 5.40 H new ATOM 0 HA LYS A 21 -15.745 -2.975 6.182 1.00 6.25 H new ATOM 0 HB2 LYS A 21 -14.360 -1.066 6.952 1.00 6.80 H new ATOM 0 HB3 LYS A 21 -15.803 -0.217 7.470 1.00 6.80 H new ATOM 0 HG2 LYS A 21 -16.280 -2.041 9.099 1.00 7.47 H new ATOM 0 HG3 LYS A 21 -14.821 -2.868 8.590 1.00 7.47 H new ATOM 0 HD2 LYS A 21 -14.819 -0.030 9.689 1.00 8.15 H new ATOM 0 HD3 LYS A 21 -14.621 -1.445 10.703 1.00 8.15 H new ATOM 0 HE2 LYS A 21 -12.406 -0.838 10.267 1.00 8.86 H new ATOM 0 HE3 LYS A 21 -12.687 -2.094 9.077 1.00 8.86 H new ATOM 0 HZ1 LYS A 21 -12.367 -0.663 7.425 1.00 9.39 H new ATOM 0 HZ2 LYS A 21 -13.438 0.481 8.079 1.00 9.39 H new ATOM 0 HZ3 LYS A 21 -11.816 0.453 8.580 1.00 9.39 H new ATOM 303 N THR A 22 -18.139 -1.200 7.555 1.00 7.34 N ATOM 304 CA THR A 22 -19.491 -1.272 8.097 1.00 8.15 C ATOM 305 C THR A 22 -20.300 -0.034 7.719 1.00 8.74 C ATOM 306 O THR A 22 -21.161 -0.090 6.839 1.00 8.97 O ATOM 307 CB THR A 22 -19.476 -1.412 9.632 1.00 8.62 C ATOM 308 OG1 THR A 22 -18.761 -2.593 10.011 1.00 8.94 O ATOM 309 CG2 THR A 22 -20.894 -1.473 10.183 1.00 8.92 C ATOM 0 H THR A 22 -17.642 -0.337 7.775 1.00 7.34 H new ATOM 0 HA THR A 22 -19.959 -2.156 7.664 1.00 8.15 H new ATOM 0 HB THR A 22 -18.977 -0.537 10.049 1.00 8.62 H new ATOM 0 HG1 THR A 22 -18.755 -2.673 10.988 1.00 8.94 H new ATOM 0 HG21 THR A 22 -20.859 -1.572 11.268 1.00 8.92 H new ATOM 0 HG22 THR A 22 -21.427 -0.559 9.919 1.00 8.92 H new ATOM 0 HG23 THR A 22 -21.413 -2.332 9.757 1.00 8.92 H new ATOM 317 N GLU A 23 -20.016 1.079 8.392 1.00 9.21 N ATOM 318 CA GLU A 23 -20.711 2.338 8.134 1.00 9.98 C ATOM 319 C GLU A 23 -22.215 2.191 8.361 1.00 10.65 C ATOM 320 O GLU A 23 -22.976 1.966 7.419 1.00 10.93 O ATOM 321 CB GLU A 23 -20.436 2.813 6.704 1.00 10.36 C ATOM 322 CG GLU A 23 -21.039 4.171 6.382 1.00 10.79 C ATOM 323 CD GLU A 23 -20.758 4.611 4.959 1.00 11.31 C ATOM 324 OE1 GLU A 23 -19.631 5.077 4.694 1.00 11.54 O ATOM 325 OE2 GLU A 23 -21.665 4.490 4.108 1.00 11.67 O ATOM 0 H GLU A 23 -19.307 1.134 9.123 1.00 9.21 H new ATOM 0 HA GLU A 23 -20.333 3.083 8.834 1.00 9.98 H new ATOM 0 HB2 GLU A 23 -19.358 2.858 6.547 1.00 10.36 H new ATOM 0 HB3 GLU A 23 -20.830 2.076 6.004 1.00 10.36 H new ATOM 0 HG2 GLU A 23 -22.117 4.133 6.540 1.00 10.79 H new ATOM 0 HG3 GLU A 23 -20.642 4.914 7.073 1.00 10.79 H new ATOM 332 N GLY A 24 -22.634 2.320 9.617 1.00 11.11 N ATOM 333 CA GLY A 24 -24.043 2.199 9.949 1.00 11.93 C ATOM 334 C GLY A 24 -24.697 3.538 10.227 1.00 12.65 C ATOM 335 O GLY A 24 -25.526 3.656 11.130 1.00 12.86 O ATOM 0 H GLY A 24 -22.022 2.506 10.412 1.00 11.11 H new ATOM 0 HA2 GLY A 24 -24.565 1.708 9.127 1.00 11.93 H new ATOM 0 HA3 GLY A 24 -24.152 1.558 10.824 1.00 11.93 H new ATOM 339 N GLU A 25 -24.326 4.551 9.450 1.00 13.21 N ATOM 340 CA GLU A 25 -24.885 5.888 9.615 1.00 14.07 C ATOM 341 C GLU A 25 -25.724 6.278 8.402 1.00 14.60 C ATOM 342 O GLU A 25 -25.408 5.903 7.272 1.00 14.82 O ATOM 343 CB GLU A 25 -23.767 6.910 9.833 1.00 14.52 C ATOM 344 CG GLU A 25 -22.904 6.616 11.049 1.00 14.78 C ATOM 345 CD GLU A 25 -21.866 7.692 11.303 1.00 15.09 C ATOM 346 OE1 GLU A 25 -20.781 7.628 10.686 1.00 15.18 O ATOM 347 OE2 GLU A 25 -22.139 8.598 12.117 1.00 15.37 O ATOM 0 H GLU A 25 -23.640 4.471 8.699 1.00 13.21 H new ATOM 0 HA GLU A 25 -25.531 5.880 10.493 1.00 14.07 H new ATOM 0 HB2 GLU A 25 -23.134 6.938 8.946 1.00 14.52 H new ATOM 0 HB3 GLU A 25 -24.208 7.901 9.941 1.00 14.52 H new ATOM 0 HG2 GLU A 25 -23.542 6.518 11.927 1.00 14.78 H new ATOM 0 HG3 GLU A 25 -22.402 5.658 10.911 1.00 14.78 H new ATOM 354 N GLU A 26 -26.793 7.032 8.642 1.00 14.96 N ATOM 355 CA GLU A 26 -27.678 7.468 7.567 1.00 15.63 C ATOM 356 C GLU A 26 -28.552 8.634 8.016 1.00 16.22 C ATOM 357 O GLU A 26 -28.430 9.117 9.142 1.00 16.54 O ATOM 358 CB GLU A 26 -28.559 6.306 7.097 1.00 15.83 C ATOM 359 CG GLU A 26 -29.534 5.804 8.153 1.00 16.01 C ATOM 360 CD GLU A 26 -28.838 5.178 9.346 1.00 16.27 C ATOM 361 OE1 GLU A 26 -28.514 3.974 9.281 1.00 16.36 O ATOM 362 OE2 GLU A 26 -28.618 5.892 10.347 1.00 16.51 O ATOM 0 H GLU A 26 -27.067 7.353 9.570 1.00 14.96 H new ATOM 0 HA GLU A 26 -27.057 7.803 6.736 1.00 15.63 H new ATOM 0 HB2 GLU A 26 -29.121 6.622 6.218 1.00 15.83 H new ATOM 0 HB3 GLU A 26 -27.919 5.480 6.786 1.00 15.83 H new ATOM 0 HG2 GLU A 26 -30.153 6.634 8.494 1.00 16.01 H new ATOM 0 HG3 GLU A 26 -30.204 5.071 7.703 1.00 16.01 H new ATOM 369 N CYS A 27 -29.434 9.079 7.127 1.00 16.52 N ATOM 370 CA CYS A 27 -30.331 10.189 7.428 1.00 17.22 C ATOM 371 C CYS A 27 -31.591 9.694 8.133 1.00 17.60 C ATOM 372 O CYS A 27 -32.559 9.334 7.432 1.00 17.78 O ATOM 373 CB CYS A 27 -30.709 10.931 6.145 1.00 17.58 C ATOM 374 SG CYS A 27 -29.297 11.606 5.237 1.00 17.93 S ATOM 375 OXT CYS A 27 -31.598 9.670 9.382 1.00 17.86 O ATOM 0 H CYS A 27 -29.547 8.688 6.192 1.00 16.52 H new ATOM 0 HA CYS A 27 -29.808 10.875 8.094 1.00 17.22 H new ATOM 0 HB2 CYS A 27 -31.255 10.250 5.492 1.00 17.58 H new ATOM 0 HB3 CYS A 27 -31.388 11.745 6.396 1.00 17.58 H new ATOM 0 HG CYS A 27 -29.719 12.212 4.167 1.00 17.93 H new TER 381 CYS A 27 ATOM 382 N ILE B 504 6.402 10.438 -13.691 1.00 0.00 N ATOM 383 CA ILE B 504 7.760 10.964 -13.587 1.00 0.00 C ATOM 384 C ILE B 504 8.641 10.156 -12.644 1.00 0.00 C ATOM 385 O ILE B 504 9.749 10.580 -12.299 1.00 0.00 O ATOM 386 CB ILE B 504 7.754 12.432 -13.114 1.00 0.03 C ATOM 387 CG1 ILE B 504 7.035 12.557 -11.766 1.00 1.30 C ATOM 388 CG2 ILE B 504 7.094 13.319 -14.159 1.00 1.33 C ATOM 389 CD1 ILE B 504 7.239 13.898 -11.093 1.00 2.13 C ATOM 0 HA ILE B 504 8.178 10.892 -14.591 1.00 0.00 H new ATOM 0 HB ILE B 504 8.785 12.761 -12.983 1.00 0.03 H new ATOM 0 HG12 ILE B 504 5.968 12.394 -11.916 1.00 1.30 H new ATOM 0 HG13 ILE B 504 7.388 11.769 -11.101 1.00 1.30 H new ATOM 0 HG21 ILE B 504 7.096 14.353 -13.813 1.00 1.33 H new ATOM 0 HG22 ILE B 504 7.646 13.249 -15.096 1.00 1.33 H new ATOM 0 HG23 ILE B 504 6.066 12.992 -14.318 1.00 1.33 H new ATOM 0 HD11 ILE B 504 6.702 13.915 -10.145 1.00 2.13 H new ATOM 0 HD12 ILE B 504 8.302 14.056 -10.911 1.00 2.13 H new ATOM 0 HD13 ILE B 504 6.860 14.690 -11.739 1.00 2.13 H new ATOM 403 N SER B 505 8.154 8.984 -12.248 1.00 0.00 N ATOM 404 CA SER B 505 8.935 8.045 -11.436 1.00 0.00 C ATOM 405 C SER B 505 10.341 7.806 -12.001 1.00 0.00 C ATOM 406 O SER B 505 10.503 7.337 -13.130 1.00 0.00 O ATOM 407 CB SER B 505 8.193 6.712 -11.319 1.00 0.00 C ATOM 408 OG SER B 505 7.986 6.130 -12.594 1.00 1.29 O ATOM 0 H SER B 505 7.215 8.656 -12.476 1.00 0.00 H new ATOM 0 HA SER B 505 9.053 8.496 -10.451 1.00 0.00 H new ATOM 0 HB2 SER B 505 8.765 6.028 -10.692 1.00 0.00 H new ATOM 0 HB3 SER B 505 7.233 6.869 -10.827 1.00 0.00 H new ATOM 0 HG SER B 505 8.704 6.407 -13.201 1.00 1.29 H new ATOM 414 N GLY B 506 11.358 8.140 -11.217 1.00 0.00 N ATOM 415 CA GLY B 506 12.728 7.975 -11.663 1.00 0.00 C ATOM 416 C GLY B 506 13.331 9.211 -12.323 1.00 0.00 C ATOM 417 O GLY B 506 14.478 9.168 -12.767 1.00 0.00 O ATOM 0 H GLY B 506 11.258 8.523 -10.277 1.00 0.00 H new ATOM 0 HA2 GLY B 506 13.344 7.698 -10.808 1.00 0.00 H new ATOM 0 HA3 GLY B 506 12.770 7.145 -12.368 1.00 0.00 H new ATOM 421 N ALA B 507 12.573 10.304 -12.398 1.00 0.00 N ATOM 422 CA ALA B 507 13.104 11.547 -12.957 1.00 0.00 C ATOM 423 C ALA B 507 13.664 12.491 -11.869 1.00 0.00 C ATOM 424 O ALA B 507 14.277 13.522 -12.175 1.00 0.00 O ATOM 425 CB ALA B 507 12.024 12.254 -13.761 1.00 0.02 C ATOM 0 H ALA B 507 11.604 10.356 -12.084 1.00 0.00 H new ATOM 0 HA ALA B 507 13.936 11.283 -13.610 1.00 0.00 H new ATOM 0 HB1 ALA B 507 12.425 13.179 -14.175 1.00 0.02 H new ATOM 0 HB2 ALA B 507 11.693 11.607 -14.573 1.00 0.02 H new ATOM 0 HB3 ALA B 507 11.179 12.483 -13.112 1.00 0.02 H new ATOM 431 N MET B 508 13.446 12.127 -10.606 1.00 0.00 N ATOM 432 CA MET B 508 14.015 12.841 -9.466 1.00 0.00 C ATOM 433 C MET B 508 15.055 12.004 -8.717 1.00 0.00 C ATOM 434 O MET B 508 15.078 10.780 -8.820 1.00 0.00 O ATOM 435 CB MET B 508 12.901 13.271 -8.510 1.00 0.01 C ATOM 436 CG MET B 508 11.857 14.163 -9.162 1.00 0.47 C ATOM 437 SD MET B 508 10.504 14.587 -8.049 1.00 1.65 S ATOM 438 CE MET B 508 11.370 15.550 -6.813 1.00 2.21 C ATOM 0 H MET B 508 12.869 11.327 -10.345 1.00 0.00 H new ATOM 0 HA MET B 508 14.526 13.721 -9.855 1.00 0.00 H new ATOM 0 HB2 MET B 508 12.411 12.382 -8.111 1.00 0.01 H new ATOM 0 HB3 MET B 508 13.342 13.799 -7.664 1.00 0.01 H new ATOM 0 HG2 MET B 508 12.335 15.079 -9.510 1.00 0.47 H new ATOM 0 HG3 MET B 508 11.454 13.660 -10.041 1.00 0.47 H new ATOM 0 HE1 MET B 508 11.411 14.990 -5.879 1.00 2.21 H new ATOM 0 HE2 MET B 508 12.383 15.757 -7.157 1.00 2.21 H new ATOM 0 HE3 MET B 508 10.843 16.490 -6.649 1.00 2.21 H new ATOM 448 N HIS B 509 15.907 12.683 -7.950 1.00 0.00 N ATOM 449 CA HIS B 509 16.892 12.033 -7.079 1.00 0.00 C ATOM 450 C HIS B 509 16.164 11.350 -5.921 1.00 0.00 C ATOM 451 O HIS B 509 15.268 11.946 -5.318 1.00 0.00 O ATOM 452 CB HIS B 509 17.897 13.058 -6.546 1.00 0.00 C ATOM 453 CG HIS B 509 18.765 13.656 -7.611 1.00 1.05 C ATOM 454 ND1 HIS B 509 20.054 13.232 -7.856 1.00 2.01 N ATOM 455 CD2 HIS B 509 18.525 14.654 -8.497 1.00 1.87 C ATOM 456 CE1 HIS B 509 20.570 13.941 -8.844 1.00 2.67 C ATOM 457 NE2 HIS B 509 19.663 14.809 -9.251 1.00 2.55 N ATOM 0 H HIS B 509 15.936 13.702 -7.913 1.00 0.00 H new ATOM 0 HA HIS B 509 17.443 11.287 -7.652 1.00 0.00 H new ATOM 0 HB2 HIS B 509 17.355 13.857 -6.040 1.00 0.00 H new ATOM 0 HB3 HIS B 509 18.530 12.579 -5.799 1.00 0.00 H new ATOM 0 HD2 HIS B 509 17.611 15.221 -8.592 1.00 1.87 H new ATOM 0 HE1 HIS B 509 21.565 13.829 -9.250 1.00 2.67 H new ATOM 0 HE2 HIS B 509 19.787 15.486 -10.004 1.00 2.55 H new ATOM 466 N GLU B 510 16.541 10.104 -5.621 1.00 0.00 N ATOM 467 CA GLU B 510 15.835 9.284 -4.638 1.00 0.00 C ATOM 468 C GLU B 510 15.424 10.058 -3.386 1.00 0.00 C ATOM 469 O GLU B 510 14.346 9.832 -2.815 1.00 0.00 O ATOM 470 CB GLU B 510 16.708 8.092 -4.242 1.00 0.01 C ATOM 471 CG GLU B 510 16.034 7.135 -3.274 1.00 1.38 C ATOM 472 CD GLU B 510 16.897 5.929 -2.954 1.00 2.04 C ATOM 473 OE1 GLU B 510 17.701 6.011 -2.001 1.00 2.66 O ATOM 474 OE2 GLU B 510 16.769 4.904 -3.655 1.00 2.52 O ATOM 0 H GLU B 510 17.340 9.639 -6.051 1.00 0.00 H new ATOM 0 HA GLU B 510 14.914 8.946 -5.114 1.00 0.00 H new ATOM 0 HB2 GLU B 510 16.990 7.545 -5.142 1.00 0.01 H new ATOM 0 HB3 GLU B 510 17.629 8.462 -3.791 1.00 0.01 H new ATOM 0 HG2 GLU B 510 15.798 7.664 -2.351 1.00 1.38 H new ATOM 0 HG3 GLU B 510 15.089 6.799 -3.700 1.00 1.38 H new ATOM 481 N GLU B 511 16.274 10.995 -2.987 1.00 0.00 N ATOM 482 CA GLU B 511 16.076 11.777 -1.770 1.00 0.00 C ATOM 483 C GLU B 511 14.972 12.819 -1.931 1.00 0.00 C ATOM 484 O GLU B 511 14.160 13.020 -1.025 1.00 0.00 O ATOM 485 CB GLU B 511 17.385 12.467 -1.376 1.00 0.01 C ATOM 486 CG GLU B 511 17.340 13.127 -0.008 1.00 1.31 C ATOM 487 CD GLU B 511 18.626 13.854 0.330 1.00 1.88 C ATOM 488 OE1 GLU B 511 19.585 13.190 0.777 1.00 2.41 O ATOM 489 OE2 GLU B 511 18.676 15.088 0.144 1.00 2.44 O ATOM 0 H GLU B 511 17.123 11.236 -3.498 1.00 0.00 H new ATOM 0 HA GLU B 511 15.768 11.088 -0.984 1.00 0.00 H new ATOM 0 HB2 GLU B 511 18.191 11.733 -1.389 1.00 0.01 H new ATOM 0 HB3 GLU B 511 17.628 13.220 -2.125 1.00 0.01 H new ATOM 0 HG2 GLU B 511 16.509 13.832 0.024 1.00 1.31 H new ATOM 0 HG3 GLU B 511 17.145 12.369 0.751 1.00 1.31 H new ATOM 496 N ASP B 512 14.947 13.487 -3.079 1.00 0.00 N ATOM 497 CA ASP B 512 13.830 14.365 -3.416 1.00 0.00 C ATOM 498 C ASP B 512 12.544 13.569 -3.576 1.00 0.00 C ATOM 499 O ASP B 512 11.476 13.995 -3.147 1.00 0.00 O ATOM 500 CB ASP B 512 14.136 15.143 -4.697 1.00 0.00 C ATOM 501 CG ASP B 512 15.345 16.046 -4.547 1.00 1.11 C ATOM 502 OD1 ASP B 512 16.470 15.583 -4.827 1.00 2.08 O ATOM 503 OD2 ASP B 512 15.168 17.215 -4.146 1.00 1.03 O ATOM 0 H ASP B 512 15.680 13.439 -3.787 1.00 0.00 H new ATOM 0 HA ASP B 512 13.693 15.073 -2.598 1.00 0.00 H new ATOM 0 HB2 ASP B 512 14.308 14.441 -5.513 1.00 0.00 H new ATOM 0 HB3 ASP B 512 13.268 15.743 -4.971 1.00 0.00 H new ATOM 508 N GLU B 513 12.672 12.403 -4.198 1.00 0.00 N ATOM 509 CA GLU B 513 11.566 11.495 -4.386 1.00 0.00 C ATOM 510 C GLU B 513 10.878 11.180 -3.059 1.00 0.00 C ATOM 511 O GLU B 513 9.658 11.243 -2.951 1.00 0.00 O ATOM 512 CB GLU B 513 12.055 10.196 -5.031 1.00 0.01 C ATOM 513 CG GLU B 513 12.460 10.351 -6.487 1.00 1.13 C ATOM 514 CD GLU B 513 11.268 10.413 -7.419 1.00 1.38 C ATOM 515 OE1 GLU B 513 10.515 11.409 -7.356 1.00 1.92 O ATOM 516 OE2 GLU B 513 11.085 9.467 -8.214 1.00 1.88 O ATOM 0 H GLU B 513 13.554 12.067 -4.585 1.00 0.00 H new ATOM 0 HA GLU B 513 10.843 11.979 -5.043 1.00 0.00 H new ATOM 0 HB2 GLU B 513 12.906 9.818 -4.465 1.00 0.01 H new ATOM 0 HB3 GLU B 513 11.267 9.447 -4.960 1.00 0.01 H new ATOM 0 HG2 GLU B 513 13.053 11.258 -6.601 1.00 1.13 H new ATOM 0 HG3 GLU B 513 13.098 9.515 -6.774 1.00 1.13 H new ATOM 523 N LYS B 514 11.665 10.834 -2.052 1.00 0.00 N ATOM 524 CA LYS B 514 11.135 10.513 -0.728 1.00 0.00 C ATOM 525 C LYS B 514 10.272 11.633 -0.177 1.00 0.00 C ATOM 526 O LYS B 514 9.095 11.408 0.146 1.00 0.00 O ATOM 527 CB LYS B 514 12.282 10.225 0.241 1.00 0.03 C ATOM 528 CG LYS B 514 11.819 9.842 1.640 1.00 1.17 C ATOM 529 CD LYS B 514 12.994 9.656 2.588 1.00 1.23 C ATOM 530 CE LYS B 514 13.674 10.979 2.904 1.00 2.02 C ATOM 531 NZ LYS B 514 12.763 11.912 3.624 1.00 2.73 N ATOM 0 H LYS B 514 12.680 10.767 -2.124 1.00 0.00 H new ATOM 0 HA LYS B 514 10.509 9.627 -0.833 1.00 0.00 H new ATOM 0 HB2 LYS B 514 12.894 9.418 -0.163 1.00 0.03 H new ATOM 0 HB3 LYS B 514 12.920 11.106 0.307 1.00 0.03 H new ATOM 0 HG2 LYS B 514 11.156 10.615 2.029 1.00 1.17 H new ATOM 0 HG3 LYS B 514 11.240 8.920 1.592 1.00 1.17 H new ATOM 0 HD2 LYS B 514 12.647 9.195 3.513 1.00 1.23 H new ATOM 0 HD3 LYS B 514 13.717 8.972 2.143 1.00 1.23 H new ATOM 0 HE2 LYS B 514 14.560 10.796 3.511 1.00 2.02 H new ATOM 0 HE3 LYS B 514 14.012 11.444 1.978 1.00 2.02 H new ATOM 0 HZ1 LYS B 514 13.322 12.667 4.071 1.00 2.73 H new ATOM 0 HZ2 LYS B 514 12.092 12.331 2.949 1.00 2.73 H new ATOM 0 HZ3 LYS B 514 12.239 11.390 4.355 1.00 2.73 H new ATOM 545 N ARG B 515 10.864 12.826 -0.071 1.00 0.00 N ATOM 546 CA ARG B 515 10.195 14.011 0.492 1.00 0.00 C ATOM 547 C ARG B 515 8.922 14.317 -0.249 1.00 0.00 C ATOM 548 O ARG B 515 7.936 14.768 0.327 1.00 0.00 O ATOM 549 CB ARG B 515 11.126 15.225 0.443 1.00 0.02 C ATOM 550 CG ARG B 515 12.389 15.063 1.273 1.00 1.32 C ATOM 551 CD ARG B 515 13.292 16.280 1.158 1.00 1.65 C ATOM 552 NE ARG B 515 12.630 17.499 1.614 1.00 2.20 N ATOM 553 CZ ARG B 515 13.178 18.708 1.543 1.00 2.85 C ATOM 554 NH1 ARG B 515 14.391 18.863 1.027 1.00 3.02 N ATOM 555 NH2 ARG B 515 12.513 19.765 1.987 1.00 3.75 N ATOM 0 H ARG B 515 11.822 13.002 -0.373 1.00 0.00 H new ATOM 0 HA ARG B 515 9.947 13.791 1.530 1.00 0.00 H new ATOM 0 HB2 ARG B 515 11.405 15.415 -0.593 1.00 0.02 H new ATOM 0 HB3 ARG B 515 10.582 16.103 0.793 1.00 0.02 H new ATOM 0 HG2 ARG B 515 12.121 14.905 2.318 1.00 1.32 H new ATOM 0 HG3 ARG B 515 12.930 14.175 0.945 1.00 1.32 H new ATOM 0 HD2 ARG B 515 14.196 16.117 1.745 1.00 1.65 H new ATOM 0 HD3 ARG B 515 13.604 16.403 0.121 1.00 1.65 H new ATOM 0 HE ARG B 515 11.693 17.418 2.010 1.00 2.20 H new ATOM 0 HH11 ARG B 515 14.906 18.053 0.683 1.00 3.02 H new ATOM 0 HH12 ARG B 515 14.808 19.792 0.974 1.00 3.02 H new ATOM 0 HH21 ARG B 515 11.580 19.651 2.383 1.00 3.75 H new ATOM 0 HH22 ARG B 515 12.934 20.692 1.932 1.00 3.75 H new ATOM 569 N PHE B 516 8.960 14.083 -1.550 1.00 0.00 N ATOM 570 CA PHE B 516 7.870 14.458 -2.417 1.00 0.00 C ATOM 571 C PHE B 516 6.700 13.479 -2.263 1.00 0.00 C ATOM 572 O PHE B 516 5.544 13.888 -2.145 1.00 0.00 O ATOM 573 CB PHE B 516 8.339 14.496 -3.874 1.00 0.01 C ATOM 574 CG PHE B 516 7.284 14.960 -4.837 1.00 0.66 C ATOM 575 CD1 PHE B 516 7.057 16.313 -5.037 1.00 1.12 C ATOM 576 CD2 PHE B 516 6.518 14.045 -5.543 1.00 1.15 C ATOM 577 CE1 PHE B 516 6.089 16.744 -5.924 1.00 1.67 C ATOM 578 CE2 PHE B 516 5.549 14.471 -6.431 1.00 1.70 C ATOM 579 CZ PHE B 516 5.334 15.823 -6.621 1.00 1.89 C ATOM 0 H PHE B 516 9.742 13.632 -2.026 1.00 0.00 H new ATOM 0 HA PHE B 516 7.529 15.453 -2.132 1.00 0.00 H new ATOM 0 HB2 PHE B 516 9.204 15.155 -3.951 1.00 0.01 H new ATOM 0 HB3 PHE B 516 8.671 13.500 -4.165 1.00 0.01 H new ATOM 0 HD1 PHE B 516 7.644 17.039 -4.493 1.00 1.12 H new ATOM 0 HD2 PHE B 516 6.681 12.987 -5.397 1.00 1.15 H new ATOM 0 HE1 PHE B 516 5.923 17.801 -6.072 1.00 1.67 H new ATOM 0 HE2 PHE B 516 4.960 13.748 -6.976 1.00 1.70 H new ATOM 0 HZ PHE B 516 4.576 16.158 -7.314 1.00 1.89 H new ATOM 589 N LEU B 517 7.023 12.191 -2.257 1.00 0.00 N ATOM 590 CA LEU B 517 6.045 11.145 -2.061 1.00 0.00 C ATOM 591 C LEU B 517 5.449 11.159 -0.668 1.00 0.00 C ATOM 592 O LEU B 517 4.298 10.791 -0.495 1.00 0.00 O ATOM 593 CB LEU B 517 6.665 9.775 -2.335 1.00 0.02 C ATOM 594 CG LEU B 517 5.656 8.662 -2.627 1.00 1.00 C ATOM 595 CD1 LEU B 517 5.186 8.731 -4.071 1.00 1.77 C ATOM 596 CD2 LEU B 517 6.259 7.299 -2.328 1.00 1.90 C ATOM 0 H LEU B 517 7.975 11.849 -2.389 1.00 0.00 H new ATOM 0 HA LEU B 517 5.238 11.336 -2.769 1.00 0.00 H new ATOM 0 HB2 LEU B 517 7.344 9.862 -3.183 1.00 0.02 H new ATOM 0 HB3 LEU B 517 7.266 9.485 -1.473 1.00 0.02 H new ATOM 0 HG LEU B 517 4.793 8.805 -1.977 1.00 1.00 H new ATOM 0 HD11 LEU B 517 4.469 7.932 -4.259 1.00 1.77 H new ATOM 0 HD12 LEU B 517 4.711 9.695 -4.253 1.00 1.77 H new ATOM 0 HD13 LEU B 517 6.041 8.616 -4.738 1.00 1.77 H new ATOM 0 HD21 LEU B 517 5.525 6.522 -2.542 1.00 1.90 H new ATOM 0 HD22 LEU B 517 7.141 7.147 -2.950 1.00 1.90 H new ATOM 0 HD23 LEU B 517 6.543 7.250 -1.277 1.00 1.90 H new ATOM 608 N VAL B 518 6.219 11.561 0.339 1.00 0.00 N ATOM 609 CA VAL B 518 5.647 11.606 1.673 1.00 0.00 C ATOM 610 C VAL B 518 4.589 12.697 1.722 1.00 0.00 C ATOM 611 O VAL B 518 3.569 12.542 2.392 1.00 0.00 O ATOM 612 CB VAL B 518 6.702 11.841 2.777 1.00 0.03 C ATOM 613 CG1 VAL B 518 7.444 13.147 2.562 1.00 1.40 C ATOM 614 CG2 VAL B 518 6.048 11.819 4.151 1.00 1.40 C ATOM 0 H VAL B 518 7.195 11.847 0.262 1.00 0.00 H new ATOM 0 HA VAL B 518 5.204 10.630 1.873 1.00 0.00 H new ATOM 0 HB VAL B 518 7.430 11.031 2.723 1.00 0.03 H new ATOM 0 HG11 VAL B 518 8.179 13.283 3.355 1.00 1.40 H new ATOM 0 HG12 VAL B 518 7.951 13.123 1.598 1.00 1.40 H new ATOM 0 HG13 VAL B 518 6.735 13.975 2.578 1.00 1.40 H new ATOM 0 HG21 VAL B 518 6.805 11.986 4.917 1.00 1.40 H new ATOM 0 HG22 VAL B 518 5.295 12.605 4.208 1.00 1.40 H new ATOM 0 HG23 VAL B 518 5.575 10.850 4.313 1.00 1.40 H new ATOM 624 N THR B 519 4.830 13.783 0.992 1.00 0.00 N ATOM 625 CA THR B 519 3.883 14.893 0.921 1.00 0.00 C ATOM 626 C THR B 519 2.638 14.551 0.081 1.00 0.00 C ATOM 627 O THR B 519 1.527 14.986 0.376 1.00 0.00 O ATOM 628 CB THR B 519 4.550 16.151 0.334 1.00 0.02 C ATOM 629 OG1 THR B 519 5.729 16.479 1.080 1.00 1.10 O ATOM 630 CG2 THR B 519 3.592 17.332 0.354 1.00 1.18 C ATOM 0 H THR B 519 5.676 13.918 0.439 1.00 0.00 H new ATOM 0 HA THR B 519 3.564 15.086 1.945 1.00 0.00 H new ATOM 0 HB THR B 519 4.822 15.938 -0.700 1.00 0.02 H new ATOM 0 HG1 THR B 519 6.466 15.898 0.799 1.00 1.10 H new ATOM 0 HG21 THR B 519 4.086 18.208 -0.065 1.00 1.18 H new ATOM 0 HG22 THR B 519 2.709 17.094 -0.239 1.00 1.18 H new ATOM 0 HG23 THR B 519 3.293 17.541 1.381 1.00 1.18 H new ATOM 638 N VAL B 520 2.837 13.786 -0.983 1.00 0.00 N ATOM 639 CA VAL B 520 1.760 13.501 -1.912 1.00 0.00 C ATOM 640 C VAL B 520 0.730 12.563 -1.305 1.00 0.00 C ATOM 641 O VAL B 520 -0.475 12.780 -1.459 1.00 0.00 O ATOM 642 CB VAL B 520 2.247 12.938 -3.264 1.00 0.03 C ATOM 643 CG1 VAL B 520 3.211 13.903 -3.934 1.00 1.21 C ATOM 644 CG2 VAL B 520 2.871 11.568 -3.098 1.00 1.22 C ATOM 0 H VAL B 520 3.730 13.355 -1.221 1.00 0.00 H new ATOM 0 HA VAL B 520 1.293 14.465 -2.113 1.00 0.00 H new ATOM 0 HB VAL B 520 1.378 12.825 -3.912 1.00 0.03 H new ATOM 0 HG11 VAL B 520 3.541 13.486 -4.885 1.00 1.21 H new ATOM 0 HG12 VAL B 520 2.710 14.855 -4.110 1.00 1.21 H new ATOM 0 HG13 VAL B 520 4.075 14.062 -3.288 1.00 1.21 H new ATOM 0 HG21 VAL B 520 3.204 11.200 -4.068 1.00 1.22 H new ATOM 0 HG22 VAL B 520 3.725 11.636 -2.424 1.00 1.22 H new ATOM 0 HG23 VAL B 520 2.134 10.881 -2.682 1.00 1.22 H new ATOM 654 N ILE B 521 1.209 11.536 -0.601 1.00 0.00 N ATOM 655 CA ILE B 521 0.331 10.515 -0.062 1.00 0.00 C ATOM 656 C ILE B 521 -0.192 10.778 1.353 1.00 0.00 C ATOM 657 O ILE B 521 -1.278 10.309 1.712 1.00 0.00 O ATOM 658 CB ILE B 521 1.033 9.138 -0.075 1.00 0.02 C ATOM 659 CG1 ILE B 521 1.369 8.725 -1.510 1.00 1.41 C ATOM 660 CG2 ILE B 521 0.164 8.080 0.592 1.00 1.40 C ATOM 661 CD1 ILE B 521 2.143 7.427 -1.605 1.00 1.98 C ATOM 0 H ILE B 521 2.198 11.396 -0.395 1.00 0.00 H new ATOM 0 HA ILE B 521 -0.538 10.533 -0.720 1.00 0.00 H new ATOM 0 HB ILE B 521 1.961 9.223 0.491 1.00 0.02 H new ATOM 0 HG12 ILE B 521 0.443 8.628 -2.077 1.00 1.41 H new ATOM 0 HG13 ILE B 521 1.949 9.519 -1.981 1.00 1.41 H new ATOM 0 HG21 ILE B 521 0.679 7.120 0.571 1.00 1.40 H new ATOM 0 HG22 ILE B 521 -0.028 8.366 1.626 1.00 1.40 H new ATOM 0 HG23 ILE B 521 -0.782 7.996 0.057 1.00 1.40 H new ATOM 0 HD11 ILE B 521 2.345 7.199 -2.652 1.00 1.98 H new ATOM 0 HD12 ILE B 521 3.086 7.525 -1.067 1.00 1.98 H new ATOM 0 HD13 ILE B 521 1.557 6.621 -1.165 1.00 1.98 H new ATOM 673 N LYS B 522 0.554 11.555 2.141 1.00 0.00 N ATOM 674 CA LYS B 522 0.085 11.987 3.460 1.00 0.00 C ATOM 675 C LYS B 522 -1.188 12.801 3.283 1.00 0.00 C ATOM 676 O LYS B 522 -2.117 12.738 4.095 1.00 0.00 O ATOM 677 CB LYS B 522 1.146 12.826 4.176 1.00 0.01 C ATOM 678 CG LYS B 522 2.087 12.012 5.050 1.00 1.10 C ATOM 679 CD LYS B 522 3.051 12.911 5.808 1.00 1.37 C ATOM 680 CE LYS B 522 3.871 12.126 6.818 1.00 2.02 C ATOM 681 NZ LYS B 522 4.866 12.989 7.514 1.00 2.57 N ATOM 0 H LYS B 522 1.482 11.897 1.890 1.00 0.00 H new ATOM 0 HA LYS B 522 -0.112 11.107 4.072 1.00 0.00 H new ATOM 0 HB2 LYS B 522 1.732 13.365 3.432 1.00 0.01 H new ATOM 0 HB3 LYS B 522 0.648 13.574 4.793 1.00 0.01 H new ATOM 0 HG2 LYS B 522 1.508 11.418 5.757 1.00 1.10 H new ATOM 0 HG3 LYS B 522 2.649 11.313 4.431 1.00 1.10 H new ATOM 0 HD2 LYS B 522 3.718 13.406 5.103 1.00 1.37 H new ATOM 0 HD3 LYS B 522 2.492 13.694 6.321 1.00 1.37 H new ATOM 0 HE2 LYS B 522 3.206 11.673 7.553 1.00 2.02 H new ATOM 0 HE3 LYS B 522 4.388 11.311 6.311 1.00 2.02 H new ATOM 0 HZ1 LYS B 522 5.406 12.417 8.195 1.00 2.57 H new ATOM 0 HZ2 LYS B 522 5.517 13.401 6.815 1.00 2.57 H new ATOM 0 HZ3 LYS B 522 4.371 13.752 8.018 1.00 2.57 H new ATOM 695 N ASP B 523 -1.244 13.555 2.198 1.00 0.00 N ATOM 696 CA ASP B 523 -2.404 14.404 1.965 1.00 0.00 C ATOM 697 C ASP B 523 -3.522 13.763 1.120 1.00 0.00 C ATOM 698 O ASP B 523 -4.666 14.192 1.201 1.00 0.00 O ATOM 699 CB ASP B 523 -1.952 15.706 1.301 1.00 0.01 C ATOM 700 CG ASP B 523 -3.110 16.641 1.007 1.00 1.28 C ATOM 701 OD1 ASP B 523 -3.474 17.434 1.901 1.00 1.70 O ATOM 702 OD2 ASP B 523 -3.651 16.580 -0.117 1.00 2.17 O ATOM 0 H ASP B 523 -0.521 13.599 1.480 1.00 0.00 H new ATOM 0 HA ASP B 523 -2.842 14.581 2.947 1.00 0.00 H new ATOM 0 HB2 ASP B 523 -1.237 16.212 1.950 1.00 0.01 H new ATOM 0 HB3 ASP B 523 -1.431 15.474 0.372 1.00 0.01 H new ATOM 707 N LEU B 524 -3.191 12.737 0.329 1.00 0.00 N ATOM 708 CA LEU B 524 -4.218 11.915 -0.325 1.00 0.00 C ATOM 709 C LEU B 524 -4.931 11.068 0.725 1.00 0.00 C ATOM 710 O LEU B 524 -6.148 11.005 0.749 1.00 0.00 O ATOM 711 CB LEU B 524 -3.587 11.028 -1.401 1.00 0.04 C ATOM 712 CG LEU B 524 -4.566 10.434 -2.417 1.00 0.63 C ATOM 713 CD1 LEU B 524 -5.339 11.534 -3.129 1.00 1.48 C ATOM 714 CD2 LEU B 524 -3.820 9.575 -3.425 1.00 1.36 C ATOM 0 H LEU B 524 -2.231 12.457 0.127 1.00 0.00 H new ATOM 0 HA LEU B 524 -4.946 12.565 -0.811 1.00 0.00 H new ATOM 0 HB2 LEU B 524 -2.841 11.613 -1.939 1.00 0.04 H new ATOM 0 HB3 LEU B 524 -3.058 10.211 -0.911 1.00 0.04 H new ATOM 0 HG LEU B 524 -5.279 9.808 -1.881 1.00 0.63 H new ATOM 0 HD11 LEU B 524 -6.028 11.089 -3.846 1.00 1.48 H new ATOM 0 HD12 LEU B 524 -5.901 12.115 -2.398 1.00 1.48 H new ATOM 0 HD13 LEU B 524 -4.642 12.187 -3.654 1.00 1.48 H new ATOM 0 HD21 LEU B 524 -4.527 9.158 -4.142 1.00 1.36 H new ATOM 0 HD22 LEU B 524 -3.087 10.186 -3.952 1.00 1.36 H new ATOM 0 HD23 LEU B 524 -3.310 8.764 -2.905 1.00 1.36 H new ATOM 726 N LEU B 525 -4.164 10.452 1.614 1.00 0.00 N ATOM 727 CA LEU B 525 -4.709 9.802 2.783 1.00 0.00 C ATOM 728 C LEU B 525 -5.630 10.756 3.564 1.00 0.00 C ATOM 729 O LEU B 525 -6.736 10.377 3.995 1.00 0.00 O ATOM 730 CB LEU B 525 -3.577 9.318 3.689 1.00 0.02 C ATOM 731 CG LEU B 525 -4.027 8.644 4.986 1.00 1.09 C ATOM 732 CD1 LEU B 525 -4.663 7.296 4.692 1.00 1.76 C ATOM 733 CD2 LEU B 525 -2.852 8.490 5.937 1.00 1.95 C ATOM 0 H LEU B 525 -3.148 10.393 1.539 1.00 0.00 H new ATOM 0 HA LEU B 525 -5.299 8.947 2.453 1.00 0.00 H new ATOM 0 HB2 LEU B 525 -2.959 8.616 3.129 1.00 0.02 H new ATOM 0 HB3 LEU B 525 -2.945 10.169 3.941 1.00 0.02 H new ATOM 0 HG LEU B 525 -4.775 9.276 5.465 1.00 1.09 H new ATOM 0 HD11 LEU B 525 -4.977 6.830 5.626 1.00 1.76 H new ATOM 0 HD12 LEU B 525 -5.530 7.436 4.047 1.00 1.76 H new ATOM 0 HD13 LEU B 525 -3.938 6.653 4.192 1.00 1.76 H new ATOM 0 HD21 LEU B 525 -3.188 8.009 6.856 1.00 1.95 H new ATOM 0 HD22 LEU B 525 -2.082 7.878 5.468 1.00 1.95 H new ATOM 0 HD23 LEU B 525 -2.442 9.473 6.171 1.00 1.95 H new ATOM 745 N GLY B 526 -5.168 11.989 3.758 1.00 0.00 N ATOM 746 CA GLY B 526 -5.937 12.958 4.506 1.00 0.00 C ATOM 747 C GLY B 526 -7.212 13.327 3.768 1.00 0.00 C ATOM 748 O GLY B 526 -8.279 13.478 4.378 1.00 0.00 O ATOM 0 H GLY B 526 -4.273 12.331 3.408 1.00 0.00 H new ATOM 0 HA2 GLY B 526 -6.185 12.552 5.487 1.00 0.00 H new ATOM 0 HA3 GLY B 526 -5.337 13.853 4.673 1.00 0.00 H new ATOM 752 N LEU B 527 -7.095 13.477 2.453 1.00 0.00 N ATOM 753 CA LEU B 527 -8.249 13.740 1.597 1.00 0.00 C ATOM 754 C LEU B 527 -9.244 12.570 1.619 1.00 0.00 C ATOM 755 O LEU B 527 -10.462 12.768 1.560 1.00 0.00 O ATOM 756 CB LEU B 527 -7.796 14.006 0.160 1.00 0.01 C ATOM 757 CG LEU B 527 -8.920 14.360 -0.816 1.00 0.98 C ATOM 758 CD1 LEU B 527 -9.562 15.686 -0.435 1.00 1.57 C ATOM 759 CD2 LEU B 527 -8.392 14.407 -2.242 1.00 1.67 C ATOM 0 H LEU B 527 -6.208 13.421 1.953 1.00 0.00 H new ATOM 0 HA LEU B 527 -8.754 14.624 1.987 1.00 0.00 H new ATOM 0 HB2 LEU B 527 -7.072 14.821 0.168 1.00 0.01 H new ATOM 0 HB3 LEU B 527 -7.277 13.122 -0.211 1.00 0.01 H new ATOM 0 HG LEU B 527 -9.683 13.584 -0.759 1.00 0.98 H new ATOM 0 HD11 LEU B 527 -10.359 15.921 -1.141 1.00 1.57 H new ATOM 0 HD12 LEU B 527 -9.977 15.614 0.570 1.00 1.57 H new ATOM 0 HD13 LEU B 527 -8.810 16.475 -0.461 1.00 1.57 H new ATOM 0 HD21 LEU B 527 -9.205 14.660 -2.923 1.00 1.67 H new ATOM 0 HD22 LEU B 527 -7.609 15.162 -2.315 1.00 1.67 H new ATOM 0 HD23 LEU B 527 -7.983 13.433 -2.511 1.00 1.67 H new ATOM 771 N CYS B 528 -8.712 11.353 1.696 1.00 0.00 N ATOM 772 CA CYS B 528 -9.542 10.171 1.623 1.00 0.00 C ATOM 773 C CYS B 528 -10.503 10.117 2.796 1.00 0.00 C ATOM 774 O CYS B 528 -11.700 9.880 2.624 1.00 0.00 O ATOM 775 CB CYS B 528 -8.670 8.913 1.599 1.00 0.04 C ATOM 776 SG CYS B 528 -9.605 7.368 1.524 1.00 0.59 S ATOM 0 H CYS B 528 -7.715 11.168 1.808 1.00 0.00 H new ATOM 0 HA CYS B 528 -10.124 10.217 0.702 1.00 0.00 H new ATOM 0 HB2 CYS B 528 -8.002 8.963 0.739 1.00 0.04 H new ATOM 0 HB3 CYS B 528 -8.042 8.902 2.490 1.00 0.04 H new ATOM 0 HG CYS B 528 -9.010 6.539 0.719 1.00 0.59 H new ATOM 782 N GLU B 529 -9.963 10.339 3.988 1.00 0.00 N ATOM 783 CA GLU B 529 -10.765 10.452 5.194 1.00 0.00 C ATOM 784 C GLU B 529 -11.754 11.633 5.138 1.00 0.00 C ATOM 785 O GLU B 529 -12.833 11.585 5.741 1.00 0.00 O ATOM 786 CB GLU B 529 -9.857 10.600 6.414 1.00 0.02 C ATOM 787 CG GLU B 529 -8.904 9.432 6.608 1.00 1.29 C ATOM 788 CD GLU B 529 -7.991 9.616 7.803 1.00 1.85 C ATOM 789 OE1 GLU B 529 -8.418 9.298 8.933 1.00 2.25 O ATOM 790 OE2 GLU B 529 -6.846 10.077 7.610 1.00 2.50 O ATOM 0 H GLU B 529 -8.960 10.445 4.143 1.00 0.00 H new ATOM 0 HA GLU B 529 -11.353 9.537 5.273 1.00 0.00 H new ATOM 0 HB2 GLU B 529 -9.278 11.518 6.316 1.00 0.02 H new ATOM 0 HB3 GLU B 529 -10.475 10.706 7.306 1.00 0.02 H new ATOM 0 HG2 GLU B 529 -9.480 8.515 6.734 1.00 1.29 H new ATOM 0 HG3 GLU B 529 -8.300 9.308 5.709 1.00 1.29 H new ATOM 797 N GLN B 530 -11.385 12.682 4.409 1.00 0.00 N ATOM 798 CA GLN B 530 -12.203 13.892 4.305 1.00 0.00 C ATOM 799 C GLN B 530 -13.468 13.698 3.473 1.00 0.00 C ATOM 800 O GLN B 530 -14.574 13.994 3.922 1.00 0.00 O ATOM 801 CB GLN B 530 -11.374 15.033 3.715 1.00 0.01 C ATOM 802 CG GLN B 530 -12.121 16.355 3.642 1.00 0.99 C ATOM 803 CD GLN B 530 -11.284 17.467 3.039 1.00 1.50 C ATOM 804 OE1 GLN B 530 -10.587 18.189 3.752 1.00 2.15 O ATOM 805 NE2 GLN B 530 -11.347 17.607 1.720 1.00 2.24 N ATOM 0 H GLN B 530 -10.516 12.720 3.876 1.00 0.00 H new ATOM 0 HA GLN B 530 -12.524 14.136 5.318 1.00 0.00 H new ATOM 0 HB2 GLN B 530 -10.475 15.166 4.317 1.00 0.01 H new ATOM 0 HB3 GLN B 530 -11.048 14.754 2.713 1.00 0.01 H new ATOM 0 HG2 GLN B 530 -13.026 16.224 3.049 1.00 0.99 H new ATOM 0 HG3 GLN B 530 -12.436 16.645 4.644 1.00 0.99 H new ATOM 0 HE21 GLN B 530 -11.939 16.985 1.169 1.00 2.24 H new ATOM 0 HE22 GLN B 530 -10.804 18.336 1.258 1.00 2.24 H new ATOM 814 N LYS B 531 -13.290 13.227 2.247 1.00 0.00 N ATOM 815 CA LYS B 531 -14.402 13.046 1.331 1.00 0.00 C ATOM 816 C LYS B 531 -15.316 11.917 1.796 1.00 0.00 C ATOM 817 O LYS B 531 -14.850 10.864 2.245 1.00 0.00 O ATOM 818 CB LYS B 531 -13.892 12.758 -0.082 1.00 0.03 C ATOM 819 CG LYS B 531 -13.066 13.887 -0.677 1.00 0.77 C ATOM 820 CD LYS B 531 -13.902 15.142 -0.886 1.00 1.35 C ATOM 821 CE LYS B 531 -13.092 16.247 -1.545 1.00 1.81 C ATOM 822 NZ LYS B 531 -13.902 17.481 -1.750 1.00 2.28 N ATOM 0 H LYS B 531 -12.382 12.963 1.865 1.00 0.00 H new ATOM 0 HA LYS B 531 -14.978 13.971 1.317 1.00 0.00 H new ATOM 0 HB2 LYS B 531 -13.289 11.850 -0.063 1.00 0.03 H new ATOM 0 HB3 LYS B 531 -14.744 12.561 -0.733 1.00 0.03 H new ATOM 0 HG2 LYS B 531 -12.228 14.113 -0.017 1.00 0.77 H new ATOM 0 HG3 LYS B 531 -12.644 13.567 -1.630 1.00 0.77 H new ATOM 0 HD2 LYS B 531 -14.767 14.905 -1.505 1.00 1.35 H new ATOM 0 HD3 LYS B 531 -14.282 15.491 0.074 1.00 1.35 H new ATOM 0 HE2 LYS B 531 -12.225 16.480 -0.927 1.00 1.81 H new ATOM 0 HE3 LYS B 531 -12.714 15.897 -2.505 1.00 1.81 H new ATOM 0 HZ1 LYS B 531 -13.315 18.211 -2.202 1.00 2.28 H new ATOM 0 HZ2 LYS B 531 -14.716 17.265 -2.361 1.00 2.28 H new ATOM 0 HZ3 LYS B 531 -14.242 17.830 -0.831 1.00 2.28 H new ATOM 836 N ARG B 532 -16.621 12.149 1.689 1.00 0.00 N ATOM 837 CA ARG B 532 -17.590 11.144 2.064 1.00 0.00 C ATOM 838 C ARG B 532 -18.045 10.367 0.834 1.00 0.00 C ATOM 839 O ARG B 532 -17.884 10.829 -0.303 1.00 0.00 O ATOM 840 CB ARG B 532 -18.798 11.791 2.749 1.00 0.01 C ATOM 841 CG ARG B 532 -18.457 12.503 4.049 1.00 1.32 C ATOM 842 CD ARG B 532 -19.708 13.024 4.742 1.00 1.86 C ATOM 843 NE ARG B 532 -19.392 13.741 5.975 1.00 2.54 N ATOM 844 CZ ARG B 532 -20.313 14.242 6.796 1.00 3.32 C ATOM 845 NH1 ARG B 532 -21.602 14.108 6.517 1.00 3.60 N ATOM 846 NH2 ARG B 532 -19.942 14.879 7.898 1.00 4.21 N ATOM 0 H ARG B 532 -17.023 13.022 1.347 1.00 0.00 H new ATOM 0 HA ARG B 532 -17.118 10.456 2.765 1.00 0.00 H new ATOM 0 HB2 ARG B 532 -19.254 12.505 2.063 1.00 0.01 H new ATOM 0 HB3 ARG B 532 -19.544 11.023 2.951 1.00 0.01 H new ATOM 0 HG2 ARG B 532 -17.930 11.818 4.713 1.00 1.32 H new ATOM 0 HG3 ARG B 532 -17.780 13.333 3.844 1.00 1.32 H new ATOM 0 HD2 ARG B 532 -20.248 13.687 4.066 1.00 1.86 H new ATOM 0 HD3 ARG B 532 -20.372 12.189 4.968 1.00 1.86 H new ATOM 0 HE ARG B 532 -18.410 13.865 6.221 1.00 2.54 H new ATOM 0 HH11 ARG B 532 -21.892 13.619 5.670 1.00 3.60 H new ATOM 0 HH12 ARG B 532 -22.303 14.494 7.149 1.00 3.60 H new ATOM 0 HH21 ARG B 532 -18.951 14.985 8.117 1.00 4.21 H new ATOM 0 HH22 ARG B 532 -20.647 15.263 8.527 1.00 4.21 H new ATOM 860 N GLY B 533 -18.610 9.184 1.069 1.00 0.00 N ATOM 861 CA GLY B 533 -19.096 8.353 -0.009 1.00 0.00 C ATOM 862 C GLY B 533 -18.046 7.431 -0.600 1.00 0.00 C ATOM 863 O GLY B 533 -17.036 7.883 -1.131 1.00 0.00 O ATOM 0 H GLY B 533 -18.738 8.787 2.000 1.00 0.00 H new ATOM 0 HA2 GLY B 533 -19.928 7.752 0.357 1.00 0.00 H new ATOM 0 HA3 GLY B 533 -19.488 8.993 -0.799 1.00 0.00 H new ATOM 867 N LYS B 534 -18.311 6.129 -0.518 1.00 0.00 N ATOM 868 CA LYS B 534 -17.433 5.114 -1.088 1.00 0.00 C ATOM 869 C LYS B 534 -16.995 5.432 -2.532 1.00 0.00 C ATOM 870 O LYS B 534 -15.867 5.161 -2.906 1.00 0.00 O ATOM 871 CB LYS B 534 -18.128 3.752 -1.047 1.00 0.02 C ATOM 872 CG LYS B 534 -19.525 3.765 -1.645 1.00 1.17 C ATOM 873 CD LYS B 534 -20.241 2.441 -1.432 1.00 1.67 C ATOM 874 CE LYS B 534 -20.605 2.229 0.029 1.00 2.37 C ATOM 875 NZ LYS B 534 -21.299 0.930 0.247 1.00 2.95 N ATOM 0 H LYS B 534 -19.138 5.751 -0.056 1.00 0.00 H new ATOM 0 HA LYS B 534 -16.528 5.100 -0.480 1.00 0.00 H new ATOM 0 HB2 LYS B 534 -17.518 3.026 -1.584 1.00 0.02 H new ATOM 0 HB3 LYS B 534 -18.188 3.415 -0.012 1.00 0.02 H new ATOM 0 HG2 LYS B 534 -20.106 4.569 -1.194 1.00 1.17 H new ATOM 0 HG3 LYS B 534 -19.462 3.977 -2.712 1.00 1.17 H new ATOM 0 HD2 LYS B 534 -21.145 2.414 -2.040 1.00 1.67 H new ATOM 0 HD3 LYS B 534 -19.604 1.624 -1.771 1.00 1.67 H new ATOM 0 HE2 LYS B 534 -19.701 2.264 0.637 1.00 2.37 H new ATOM 0 HE3 LYS B 534 -21.246 3.044 0.365 1.00 2.37 H new ATOM 0 HZ1 LYS B 534 -21.530 0.825 1.256 1.00 2.95 H new ATOM 0 HZ2 LYS B 534 -22.175 0.906 -0.313 1.00 2.95 H new ATOM 0 HZ3 LYS B 534 -20.678 0.150 -0.049 1.00 2.95 H new ATOM 889 N ASP B 535 -17.881 6.012 -3.334 1.00 0.00 N ATOM 890 CA ASP B 535 -17.492 6.447 -4.671 1.00 0.00 C ATOM 891 C ASP B 535 -16.216 7.299 -4.618 1.00 0.00 C ATOM 892 O ASP B 535 -15.264 7.030 -5.339 1.00 0.00 O ATOM 893 CB ASP B 535 -18.627 7.245 -5.317 1.00 0.01 C ATOM 894 CG ASP B 535 -18.245 7.792 -6.678 1.00 1.35 C ATOM 895 OD1 ASP B 535 -18.446 7.077 -7.683 1.00 1.82 O ATOM 896 OD2 ASP B 535 -17.749 8.937 -6.741 1.00 2.20 O ATOM 0 H ASP B 535 -18.855 6.190 -3.089 1.00 0.00 H new ATOM 0 HA ASP B 535 -17.290 5.561 -5.273 1.00 0.00 H new ATOM 0 HB2 ASP B 535 -19.505 6.607 -5.418 1.00 0.01 H new ATOM 0 HB3 ASP B 535 -18.906 8.070 -4.662 1.00 0.01 H new ATOM 901 N ASN B 536 -16.210 8.326 -3.768 1.00 0.00 N ATOM 902 CA ASN B 536 -15.038 9.193 -3.599 1.00 0.00 C ATOM 903 C ASN B 536 -13.855 8.463 -2.993 1.00 0.00 C ATOM 904 O ASN B 536 -12.712 8.628 -3.432 1.00 0.00 O ATOM 905 CB ASN B 536 -15.399 10.399 -2.729 1.00 0.07 C ATOM 906 CG ASN B 536 -16.486 11.259 -3.347 1.00 0.63 C ATOM 907 OD1 ASN B 536 -17.300 11.854 -2.640 1.00 1.38 O ATOM 908 ND2 ASN B 536 -16.503 11.335 -4.674 1.00 1.47 N ATOM 0 H ASN B 536 -17.006 8.581 -3.183 1.00 0.00 H new ATOM 0 HA ASN B 536 -14.741 9.524 -4.594 1.00 0.00 H new ATOM 0 HB2 ASN B 536 -15.729 10.051 -1.750 1.00 0.07 H new ATOM 0 HB3 ASN B 536 -14.508 11.006 -2.568 1.00 0.07 H new ATOM 0 HD21 ASN B 536 -17.209 11.902 -5.143 1.00 1.47 H new ATOM 0 HD22 ASN B 536 -15.810 10.826 -5.223 1.00 1.47 H new ATOM 915 N LYS B 537 -14.118 7.680 -1.955 1.00 0.00 N ATOM 916 CA LYS B 537 -13.035 7.022 -1.232 1.00 0.00 C ATOM 917 C LYS B 537 -12.376 5.965 -2.114 1.00 0.00 C ATOM 918 O LYS B 537 -11.169 5.734 -2.026 1.00 0.00 O ATOM 919 CB LYS B 537 -13.565 6.387 0.055 1.00 0.03 C ATOM 920 CG LYS B 537 -14.267 7.379 0.968 1.00 0.81 C ATOM 921 CD LYS B 537 -14.741 6.720 2.253 1.00 1.12 C ATOM 922 CE LYS B 537 -15.447 7.716 3.158 1.00 1.82 C ATOM 923 NZ LYS B 537 -15.881 7.095 4.440 1.00 2.50 N ATOM 0 H LYS B 537 -15.054 7.486 -1.599 1.00 0.00 H new ATOM 0 HA LYS B 537 -12.287 7.770 -0.968 1.00 0.00 H new ATOM 0 HB2 LYS B 537 -14.258 5.586 -0.202 1.00 0.03 H new ATOM 0 HB3 LYS B 537 -12.736 5.930 0.595 1.00 0.03 H new ATOM 0 HG2 LYS B 537 -13.588 8.197 1.207 1.00 0.81 H new ATOM 0 HG3 LYS B 537 -15.119 7.814 0.446 1.00 0.81 H new ATOM 0 HD2 LYS B 537 -15.417 5.899 2.015 1.00 1.12 H new ATOM 0 HD3 LYS B 537 -13.889 6.289 2.778 1.00 1.12 H new ATOM 0 HE2 LYS B 537 -14.779 8.552 3.368 1.00 1.82 H new ATOM 0 HE3 LYS B 537 -16.315 8.124 2.641 1.00 1.82 H new ATOM 0 HZ1 LYS B 537 -16.358 7.809 5.027 1.00 2.50 H new ATOM 0 HZ2 LYS B 537 -16.538 6.314 4.242 1.00 2.50 H new ATOM 0 HZ3 LYS B 537 -15.050 6.728 4.947 1.00 2.50 H new ATOM 937 N ALA B 538 -13.176 5.358 -2.987 1.00 0.00 N ATOM 938 CA ALA B 538 -12.693 4.351 -3.922 1.00 0.00 C ATOM 939 C ALA B 538 -11.768 4.969 -4.968 1.00 0.00 C ATOM 940 O ALA B 538 -10.697 4.443 -5.243 1.00 0.00 O ATOM 941 CB ALA B 538 -13.863 3.648 -4.592 1.00 0.04 C ATOM 0 H ALA B 538 -14.175 5.551 -3.065 1.00 0.00 H new ATOM 0 HA ALA B 538 -12.118 3.615 -3.360 1.00 0.00 H new ATOM 0 HB1 ALA B 538 -13.487 2.898 -5.288 1.00 0.04 H new ATOM 0 HB2 ALA B 538 -14.479 3.163 -3.834 1.00 0.04 H new ATOM 0 HB3 ALA B 538 -14.464 4.378 -5.135 1.00 0.04 H new ATOM 947 N ILE B 539 -12.189 6.087 -5.546 1.00 0.00 N ATOM 948 CA ILE B 539 -11.334 6.842 -6.454 1.00 0.00 C ATOM 949 C ILE B 539 -10.027 7.272 -5.761 1.00 0.00 C ATOM 950 O ILE B 539 -8.925 6.984 -6.229 1.00 0.00 O ATOM 951 CB ILE B 539 -12.055 8.095 -6.993 1.00 0.05 C ATOM 952 CG1 ILE B 539 -13.347 7.700 -7.711 1.00 1.15 C ATOM 953 CG2 ILE B 539 -11.141 8.869 -7.933 1.00 1.12 C ATOM 954 CD1 ILE B 539 -14.245 8.877 -8.034 1.00 1.82 C ATOM 0 H ILE B 539 -13.115 6.490 -5.403 1.00 0.00 H new ATOM 0 HA ILE B 539 -11.097 6.181 -7.288 1.00 0.00 H new ATOM 0 HB ILE B 539 -12.310 8.737 -6.150 1.00 0.05 H new ATOM 0 HG12 ILE B 539 -13.095 7.181 -8.636 1.00 1.15 H new ATOM 0 HG13 ILE B 539 -13.897 6.994 -7.089 1.00 1.15 H new ATOM 0 HG21 ILE B 539 -11.664 9.750 -8.305 1.00 1.12 H new ATOM 0 HG22 ILE B 539 -10.245 9.179 -7.396 1.00 1.12 H new ATOM 0 HG23 ILE B 539 -10.859 8.233 -8.772 1.00 1.12 H new ATOM 0 HD11 ILE B 539 -15.142 8.522 -8.542 1.00 1.82 H new ATOM 0 HD12 ILE B 539 -14.527 9.383 -7.111 1.00 1.82 H new ATOM 0 HD13 ILE B 539 -13.713 9.574 -8.682 1.00 1.82 H new ATOM 966 N ILE B 540 -10.147 7.957 -4.633 1.00 0.00 N ATOM 967 CA ILE B 540 -8.960 8.425 -3.926 1.00 0.00 C ATOM 968 C ILE B 540 -8.036 7.255 -3.594 1.00 0.00 C ATOM 969 O ILE B 540 -6.836 7.308 -3.846 1.00 0.00 O ATOM 970 CB ILE B 540 -9.334 9.165 -2.624 1.00 0.06 C ATOM 971 CG1 ILE B 540 -10.183 10.405 -2.933 1.00 1.12 C ATOM 972 CG2 ILE B 540 -8.082 9.551 -1.847 1.00 1.11 C ATOM 973 CD1 ILE B 540 -9.483 11.430 -3.805 1.00 1.85 C ATOM 0 H ILE B 540 -11.035 8.198 -4.193 1.00 0.00 H new ATOM 0 HA ILE B 540 -8.443 9.121 -4.586 1.00 0.00 H new ATOM 0 HB ILE B 540 -9.926 8.491 -2.005 1.00 0.06 H new ATOM 0 HG12 ILE B 540 -11.102 10.090 -3.427 1.00 1.12 H new ATOM 0 HG13 ILE B 540 -10.472 10.878 -1.994 1.00 1.12 H new ATOM 0 HG21 ILE B 540 -8.367 10.071 -0.933 1.00 1.11 H new ATOM 0 HG22 ILE B 540 -7.520 8.652 -1.593 1.00 1.11 H new ATOM 0 HG23 ILE B 540 -7.462 10.206 -2.459 1.00 1.11 H new ATOM 0 HD11 ILE B 540 -10.148 12.276 -3.978 1.00 1.85 H new ATOM 0 HD12 ILE B 540 -8.578 11.776 -3.305 1.00 1.85 H new ATOM 0 HD13 ILE B 540 -9.218 10.976 -4.760 1.00 1.85 H new ATOM 985 N ALA B 541 -8.617 6.198 -3.038 1.00 0.00 N ATOM 986 CA ALA B 541 -7.883 4.992 -2.670 1.00 0.00 C ATOM 987 C ALA B 541 -7.139 4.343 -3.845 1.00 0.00 C ATOM 988 O ALA B 541 -5.986 3.915 -3.706 1.00 0.00 O ATOM 989 CB ALA B 541 -8.824 3.980 -2.035 1.00 0.02 C ATOM 0 H ALA B 541 -9.614 6.153 -2.829 1.00 0.00 H new ATOM 0 HA ALA B 541 -7.123 5.304 -1.954 1.00 0.00 H new ATOM 0 HB1 ALA B 541 -8.266 3.084 -1.764 1.00 0.02 H new ATOM 0 HB2 ALA B 541 -9.273 4.412 -1.141 1.00 0.02 H new ATOM 0 HB3 ALA B 541 -9.609 3.718 -2.744 1.00 0.02 H new ATOM 995 N SER B 542 -7.807 4.248 -4.993 1.00 0.00 N ATOM 996 CA SER B 542 -7.190 3.623 -6.163 1.00 0.00 C ATOM 997 C SER B 542 -5.933 4.383 -6.567 1.00 0.00 C ATOM 998 O SER B 542 -4.944 3.783 -6.959 1.00 0.00 O ATOM 999 CB SER B 542 -8.178 3.578 -7.330 1.00 0.01 C ATOM 1000 OG SER B 542 -8.543 4.883 -7.742 1.00 1.20 O ATOM 0 H SER B 542 -8.757 4.588 -5.138 1.00 0.00 H new ATOM 0 HA SER B 542 -6.914 2.601 -5.903 1.00 0.00 H new ATOM 0 HB2 SER B 542 -7.732 3.041 -8.167 1.00 0.01 H new ATOM 0 HB3 SER B 542 -9.069 3.024 -7.034 1.00 0.01 H new ATOM 0 HG SER B 542 -8.936 5.367 -6.986 1.00 1.20 H new ATOM 1006 N ASN B 543 -6.007 5.707 -6.462 1.00 0.00 N ATOM 1007 CA ASN B 543 -4.957 6.613 -6.890 1.00 0.00 C ATOM 1008 C ASN B 543 -3.684 6.554 -6.034 1.00 0.00 C ATOM 1009 O ASN B 543 -2.564 6.476 -6.540 1.00 0.00 O ATOM 1010 CB ASN B 543 -5.488 8.048 -6.910 1.00 0.01 C ATOM 1011 CG ASN B 543 -4.507 9.020 -7.538 1.00 1.12 C ATOM 1012 OD1 ASN B 543 -4.552 9.274 -8.742 1.00 2.03 O ATOM 1013 ND2 ASN B 543 -3.613 9.569 -6.725 1.00 1.80 N ATOM 0 H ASN B 543 -6.817 6.185 -6.068 1.00 0.00 H new ATOM 0 HA ASN B 543 -4.670 6.286 -7.889 1.00 0.00 H new ATOM 0 HB2 ASN B 543 -6.427 8.077 -7.462 1.00 0.01 H new ATOM 0 HB3 ASN B 543 -5.707 8.365 -5.891 1.00 0.01 H new ATOM 0 HD21 ASN B 543 -2.928 10.230 -7.092 1.00 1.80 H new ATOM 0 HD22 ASN B 543 -3.611 9.330 -5.733 1.00 1.80 H new ATOM 1020 N ILE B 544 -3.867 6.582 -4.732 1.00 0.00 N ATOM 1021 CA ILE B 544 -2.781 6.321 -3.817 1.00 0.00 C ATOM 1022 C ILE B 544 -2.124 4.981 -4.206 1.00 0.00 C ATOM 1023 O ILE B 544 -0.899 4.863 -4.294 1.00 0.00 O ATOM 1024 CB ILE B 544 -3.221 6.310 -2.333 1.00 0.05 C ATOM 1025 CG1 ILE B 544 -2.056 5.893 -1.432 1.00 1.41 C ATOM 1026 CG2 ILE B 544 -4.413 5.396 -2.121 1.00 1.38 C ATOM 1027 CD1 ILE B 544 -2.395 5.900 0.043 1.00 1.81 C ATOM 0 H ILE B 544 -4.761 6.784 -4.284 1.00 0.00 H new ATOM 0 HA ILE B 544 -2.064 7.138 -3.902 1.00 0.00 H new ATOM 0 HB ILE B 544 -3.524 7.322 -2.064 1.00 0.05 H new ATOM 0 HG12 ILE B 544 -1.729 4.893 -1.716 1.00 1.41 H new ATOM 0 HG13 ILE B 544 -1.215 6.565 -1.606 1.00 1.41 H new ATOM 0 HG21 ILE B 544 -4.699 5.409 -1.069 1.00 1.38 H new ATOM 0 HG22 ILE B 544 -5.249 5.742 -2.729 1.00 1.38 H new ATOM 0 HG23 ILE B 544 -4.148 4.380 -2.412 1.00 1.38 H new ATOM 0 HD11 ILE B 544 -1.521 5.594 0.619 1.00 1.81 H new ATOM 0 HD12 ILE B 544 -2.693 6.905 0.343 1.00 1.81 H new ATOM 0 HD13 ILE B 544 -3.215 5.207 0.231 1.00 1.81 H new ATOM 1039 N MET B 545 -2.943 3.969 -4.459 1.00 0.00 N ATOM 1040 CA MET B 545 -2.395 2.674 -4.846 1.00 0.00 C ATOM 1041 C MET B 545 -1.647 2.722 -6.184 1.00 0.00 C ATOM 1042 O MET B 545 -0.568 2.139 -6.320 1.00 0.00 O ATOM 1043 CB MET B 545 -3.505 1.623 -4.898 1.00 0.04 C ATOM 1044 CG MET B 545 -3.951 1.154 -3.522 1.00 0.88 C ATOM 1045 SD MET B 545 -5.137 -0.204 -3.591 1.00 1.81 S ATOM 1046 CE MET B 545 -6.617 0.662 -4.103 1.00 2.60 C ATOM 0 H MET B 545 -3.961 4.014 -4.406 1.00 0.00 H new ATOM 0 HA MET B 545 -1.666 2.398 -4.084 1.00 0.00 H new ATOM 0 HB2 MET B 545 -4.362 2.036 -5.430 1.00 0.04 H new ATOM 0 HB3 MET B 545 -3.157 0.764 -5.472 1.00 0.04 H new ATOM 0 HG2 MET B 545 -3.078 0.838 -2.951 1.00 0.88 H new ATOM 0 HG3 MET B 545 -4.397 1.992 -2.985 1.00 0.88 H new ATOM 0 HE1 MET B 545 -7.143 0.071 -4.853 1.00 2.60 H new ATOM 0 HE2 MET B 545 -7.266 0.814 -3.241 1.00 2.60 H new ATOM 0 HE3 MET B 545 -6.345 1.628 -4.527 1.00 2.60 H new ATOM 1056 N TYR B 546 -2.206 3.423 -7.164 1.00 0.00 N ATOM 1057 CA TYR B 546 -1.506 3.561 -8.421 1.00 0.00 C ATOM 1058 C TYR B 546 -0.144 4.209 -8.187 1.00 0.00 C ATOM 1059 O TYR B 546 0.869 3.697 -8.654 1.00 0.00 O ATOM 1060 CB TYR B 546 -2.329 4.397 -9.404 1.00 0.01 C ATOM 1061 CG TYR B 546 -1.652 4.607 -10.742 1.00 0.55 C ATOM 1062 CD1 TYR B 546 -1.682 3.622 -11.721 1.00 0.55 C ATOM 1063 CD2 TYR B 546 -0.983 5.791 -11.024 1.00 1.19 C ATOM 1064 CE1 TYR B 546 -1.065 3.811 -12.944 1.00 1.00 C ATOM 1065 CE2 TYR B 546 -0.364 5.988 -12.244 1.00 1.68 C ATOM 1066 CZ TYR B 546 -0.408 4.996 -13.199 1.00 1.57 C ATOM 1067 OH TYR B 546 0.206 5.190 -14.416 1.00 2.08 O ATOM 0 H TYR B 546 -3.112 3.888 -7.111 1.00 0.00 H new ATOM 0 HA TYR B 546 -1.359 2.571 -8.852 1.00 0.00 H new ATOM 0 HB2 TYR B 546 -3.290 3.909 -9.566 1.00 0.01 H new ATOM 0 HB3 TYR B 546 -2.536 5.369 -8.956 1.00 0.01 H new ATOM 0 HD1 TYR B 546 -2.196 2.693 -11.524 1.00 0.55 H new ATOM 0 HD2 TYR B 546 -0.946 6.571 -10.278 1.00 1.19 H new ATOM 0 HE1 TYR B 546 -1.098 3.035 -13.695 1.00 1.00 H new ATOM 0 HE2 TYR B 546 0.152 6.915 -12.448 1.00 1.68 H new ATOM 0 HH TYR B 546 0.622 6.077 -14.435 1.00 2.08 H new ATOM 1077 N ILE B 547 -0.134 5.313 -7.439 1.00 0.00 N ATOM 1078 CA ILE B 547 1.092 6.045 -7.106 1.00 0.00 C ATOM 1079 C ILE B 547 2.149 5.160 -6.442 1.00 0.00 C ATOM 1080 O ILE B 547 3.251 4.976 -6.967 1.00 0.00 O ATOM 1081 CB ILE B 547 0.789 7.245 -6.186 1.00 0.06 C ATOM 1082 CG1 ILE B 547 -0.054 8.290 -6.928 1.00 0.74 C ATOM 1083 CG2 ILE B 547 2.081 7.865 -5.665 1.00 0.78 C ATOM 1084 CD1 ILE B 547 0.634 8.886 -8.139 1.00 1.50 C ATOM 0 H ILE B 547 -0.979 5.727 -7.045 1.00 0.00 H new ATOM 0 HA ILE B 547 1.496 6.399 -8.055 1.00 0.00 H new ATOM 0 HB ILE B 547 0.217 6.886 -5.331 1.00 0.06 H new ATOM 0 HG12 ILE B 547 -0.990 7.830 -7.244 1.00 0.74 H new ATOM 0 HG13 ILE B 547 -0.311 9.093 -6.237 1.00 0.74 H new ATOM 0 HG21 ILE B 547 1.844 8.710 -5.018 1.00 0.78 H new ATOM 0 HG22 ILE B 547 2.640 7.120 -5.099 1.00 0.78 H new ATOM 0 HG23 ILE B 547 2.684 8.209 -6.505 1.00 0.78 H new ATOM 0 HD11 ILE B 547 -0.025 9.616 -8.610 1.00 1.50 H new ATOM 0 HD12 ILE B 547 1.556 9.377 -7.829 1.00 1.50 H new ATOM 0 HD13 ILE B 547 0.867 8.095 -8.852 1.00 1.50 H new ATOM 1096 N VAL B 548 1.820 4.605 -5.289 1.00 0.00 N ATOM 1097 CA VAL B 548 2.743 3.686 -4.640 1.00 0.00 C ATOM 1098 C VAL B 548 3.289 2.643 -5.630 1.00 0.00 C ATOM 1099 O VAL B 548 4.477 2.341 -5.636 1.00 0.00 O ATOM 1100 CB VAL B 548 2.091 2.977 -3.431 1.00 0.03 C ATOM 1101 CG1 VAL B 548 0.882 2.164 -3.859 1.00 1.40 C ATOM 1102 CG2 VAL B 548 3.100 2.097 -2.714 1.00 1.39 C ATOM 0 H VAL B 548 0.944 4.767 -4.792 1.00 0.00 H new ATOM 0 HA VAL B 548 3.576 4.286 -4.275 1.00 0.00 H new ATOM 0 HB VAL B 548 1.751 3.746 -2.737 1.00 0.03 H new ATOM 0 HG11 VAL B 548 0.444 1.677 -2.988 1.00 1.40 H new ATOM 0 HG12 VAL B 548 0.143 2.823 -4.316 1.00 1.40 H new ATOM 0 HG13 VAL B 548 1.189 1.408 -4.581 1.00 1.40 H new ATOM 0 HG21 VAL B 548 2.619 1.608 -1.867 1.00 1.39 H new ATOM 0 HG22 VAL B 548 3.478 1.341 -3.403 1.00 1.39 H new ATOM 0 HG23 VAL B 548 3.928 2.709 -2.357 1.00 1.39 H new ATOM 1112 N GLY B 549 2.416 2.077 -6.461 1.00 0.00 N ATOM 1113 CA GLY B 549 2.816 1.045 -7.408 1.00 0.00 C ATOM 1114 C GLY B 549 3.916 1.500 -8.347 1.00 0.00 C ATOM 1115 O GLY B 549 4.729 0.701 -8.825 1.00 0.00 O ATOM 0 H GLY B 549 1.426 2.318 -6.496 1.00 0.00 H new ATOM 0 HA2 GLY B 549 3.154 0.166 -6.859 1.00 0.00 H new ATOM 0 HA3 GLY B 549 1.949 0.740 -7.993 1.00 0.00 H new ATOM 1119 N GLN B 550 3.952 2.807 -8.597 1.00 0.00 N ATOM 1120 CA GLN B 550 4.881 3.390 -9.552 1.00 0.00 C ATOM 1121 C GLN B 550 6.223 3.728 -8.929 1.00 0.00 C ATOM 1122 O GLN B 550 7.178 4.047 -9.637 1.00 0.00 O ATOM 1123 CB GLN B 550 4.270 4.644 -10.178 1.00 0.01 C ATOM 1124 CG GLN B 550 3.077 4.355 -11.073 1.00 1.12 C ATOM 1125 CD GLN B 550 3.450 3.527 -12.287 1.00 1.59 C ATOM 1126 OE1 GLN B 550 3.426 2.297 -12.246 1.00 2.25 O ATOM 1127 NE2 GLN B 550 3.796 4.201 -13.378 1.00 2.27 N ATOM 0 H GLN B 550 3.340 3.486 -8.144 1.00 0.00 H new ATOM 0 HA GLN B 550 5.061 2.639 -10.321 1.00 0.00 H new ATOM 0 HB2 GLN B 550 3.962 5.324 -9.384 1.00 0.01 H new ATOM 0 HB3 GLN B 550 5.034 5.159 -10.760 1.00 0.01 H new ATOM 0 HG2 GLN B 550 2.315 3.829 -10.498 1.00 1.12 H new ATOM 0 HG3 GLN B 550 2.636 5.296 -11.401 1.00 1.12 H new ATOM 0 HE21 GLN B 550 3.802 5.221 -13.367 1.00 2.27 H new ATOM 0 HE22 GLN B 550 4.056 3.699 -14.227 1.00 2.27 H new ATOM 1136 N TYR B 551 6.302 3.640 -7.604 1.00 0.00 N ATOM 1137 CA TYR B 551 7.521 4.004 -6.906 1.00 0.00 C ATOM 1138 C TYR B 551 8.132 2.858 -6.087 1.00 0.00 C ATOM 1139 O TYR B 551 8.289 2.968 -4.872 1.00 0.00 O ATOM 1140 CB TYR B 551 7.256 5.205 -5.999 1.00 0.08 C ATOM 1141 CG TYR B 551 7.095 6.505 -6.754 1.00 0.90 C ATOM 1142 CD1 TYR B 551 8.201 7.277 -7.084 1.00 1.80 C ATOM 1143 CD2 TYR B 551 5.839 6.958 -7.139 1.00 1.10 C ATOM 1144 CE1 TYR B 551 8.060 8.466 -7.775 1.00 2.65 C ATOM 1145 CE2 TYR B 551 5.691 8.145 -7.831 1.00 1.91 C ATOM 1146 CZ TYR B 551 6.804 8.894 -8.146 1.00 2.65 C ATOM 1147 OH TYR B 551 6.662 10.077 -8.834 1.00 3.53 O ATOM 0 H TYR B 551 5.542 3.323 -7.002 1.00 0.00 H new ATOM 0 HA TYR B 551 8.253 4.255 -7.674 1.00 0.00 H new ATOM 0 HB2 TYR B 551 6.354 5.018 -5.416 1.00 0.08 H new ATOM 0 HB3 TYR B 551 8.079 5.304 -5.291 1.00 0.08 H new ATOM 0 HD1 TYR B 551 9.187 6.943 -6.796 1.00 1.80 H new ATOM 0 HD2 TYR B 551 4.965 6.373 -6.894 1.00 1.10 H new ATOM 0 HE1 TYR B 551 8.930 9.056 -8.023 1.00 2.65 H new ATOM 0 HE2 TYR B 551 4.708 8.484 -8.123 1.00 1.91 H new ATOM 0 HH TYR B 551 5.713 10.235 -9.021 1.00 3.53 H new ATOM 1157 N PRO B 552 8.484 1.746 -6.754 1.00 0.00 N ATOM 1158 CA PRO B 552 9.115 0.635 -6.028 1.00 0.00 C ATOM 1159 C PRO B 552 10.379 1.051 -5.272 1.00 0.00 C ATOM 1160 O PRO B 552 10.617 0.552 -4.182 1.00 0.00 O ATOM 1161 CB PRO B 552 9.472 -0.356 -7.142 1.00 0.01 C ATOM 1162 CG PRO B 552 8.572 -0.008 -8.282 1.00 0.46 C ATOM 1163 CD PRO B 552 8.319 1.472 -8.188 1.00 0.02 C ATOM 0 HA PRO B 552 8.452 0.233 -5.262 1.00 0.00 H new ATOM 0 HB2 PRO B 552 10.520 -0.267 -7.427 1.00 0.01 H new ATOM 0 HB3 PRO B 552 9.316 -1.385 -6.818 1.00 0.01 H new ATOM 0 HG2 PRO B 552 9.036 -0.263 -9.235 1.00 0.46 H new ATOM 0 HG3 PRO B 552 7.638 -0.566 -8.223 1.00 0.46 H new ATOM 0 HD2 PRO B 552 9.026 2.041 -8.791 1.00 0.02 H new ATOM 0 HD3 PRO B 552 7.320 1.733 -8.536 1.00 0.02 H new ATOM 1171 N ARG B 553 11.202 1.915 -5.861 1.00 0.00 N ATOM 1172 CA ARG B 553 12.483 2.260 -5.258 1.00 0.00 C ATOM 1173 C ARG B 553 12.268 2.791 -3.845 1.00 0.00 C ATOM 1174 O ARG B 553 12.957 2.403 -2.911 1.00 0.00 O ATOM 1175 CB ARG B 553 13.206 3.307 -6.111 1.00 0.01 C ATOM 1176 CG ARG B 553 13.570 2.816 -7.504 1.00 1.17 C ATOM 1177 CD ARG B 553 14.694 1.792 -7.462 1.00 1.73 C ATOM 1178 NE ARG B 553 15.951 2.378 -7.004 1.00 2.26 N ATOM 1179 CZ ARG B 553 17.148 1.960 -7.403 1.00 3.06 C ATOM 1180 NH1 ARG B 553 17.252 0.959 -8.268 1.00 3.50 N ATOM 1181 NH2 ARG B 553 18.243 2.544 -6.939 1.00 3.87 N ATOM 0 H ARG B 553 11.006 2.384 -6.746 1.00 0.00 H new ATOM 0 HA ARG B 553 13.101 1.364 -5.208 1.00 0.00 H new ATOM 0 HB2 ARG B 553 12.573 4.190 -6.201 1.00 0.01 H new ATOM 0 HB3 ARG B 553 14.115 3.618 -5.596 1.00 0.01 H new ATOM 0 HG2 ARG B 553 12.692 2.374 -7.975 1.00 1.17 H new ATOM 0 HG3 ARG B 553 13.871 3.662 -8.121 1.00 1.17 H new ATOM 0 HD2 ARG B 553 14.413 0.973 -6.800 1.00 1.73 H new ATOM 0 HD3 ARG B 553 14.833 1.366 -8.455 1.00 1.73 H new ATOM 0 HE ARG B 553 15.908 3.152 -6.341 1.00 2.26 H new ATOM 0 HH11 ARG B 553 16.412 0.508 -8.629 1.00 3.50 H new ATOM 0 HH12 ARG B 553 18.172 0.641 -8.572 1.00 3.50 H new ATOM 0 HH21 ARG B 553 18.168 3.315 -6.275 1.00 3.87 H new ATOM 0 HH22 ARG B 553 19.161 2.223 -7.246 1.00 3.87 H new ATOM 1195 N PHE B 554 11.304 3.698 -3.716 1.00 0.00 N ATOM 1196 CA PHE B 554 10.770 4.142 -2.433 1.00 0.00 C ATOM 1197 C PHE B 554 10.405 2.963 -1.518 1.00 0.00 C ATOM 1198 O PHE B 554 10.935 2.836 -0.406 1.00 0.00 O ATOM 1199 CB PHE B 554 9.545 5.042 -2.618 1.00 0.03 C ATOM 1200 CG PHE B 554 9.041 5.626 -1.323 1.00 0.17 C ATOM 1201 CD1 PHE B 554 9.551 6.822 -0.840 1.00 0.40 C ATOM 1202 CD2 PHE B 554 8.067 4.973 -0.584 1.00 0.59 C ATOM 1203 CE1 PHE B 554 9.096 7.357 0.353 1.00 0.45 C ATOM 1204 CE2 PHE B 554 7.609 5.501 0.610 1.00 0.70 C ATOM 1205 CZ PHE B 554 8.124 6.695 1.080 1.00 0.48 C ATOM 0 H PHE B 554 10.864 4.153 -4.516 1.00 0.00 H new ATOM 0 HA PHE B 554 11.564 4.715 -1.954 1.00 0.00 H new ATOM 0 HB2 PHE B 554 9.797 5.853 -3.302 1.00 0.03 H new ATOM 0 HB3 PHE B 554 8.746 4.467 -3.086 1.00 0.03 H new ATOM 0 HD1 PHE B 554 10.313 7.342 -1.402 1.00 0.40 H new ATOM 0 HD2 PHE B 554 7.660 4.040 -0.945 1.00 0.59 H new ATOM 0 HE1 PHE B 554 9.500 8.291 0.716 1.00 0.45 H new ATOM 0 HE2 PHE B 554 6.850 4.981 1.175 1.00 0.70 H new ATOM 0 HZ PHE B 554 7.768 7.109 2.012 1.00 0.48 H new ATOM 1215 N LEU B 555 9.492 2.113 -1.987 1.00 0.00 N ATOM 1216 CA LEU B 555 9.029 0.957 -1.221 1.00 0.00 C ATOM 1217 C LEU B 555 10.201 0.113 -0.794 1.00 0.00 C ATOM 1218 O LEU B 555 10.322 -0.251 0.378 1.00 0.00 O ATOM 1219 CB LEU B 555 8.057 0.119 -2.052 1.00 0.03 C ATOM 1220 CG LEU B 555 6.689 0.758 -2.286 1.00 0.54 C ATOM 1221 CD1 LEU B 555 5.868 -0.088 -3.245 1.00 1.49 C ATOM 1222 CD2 LEU B 555 5.953 0.934 -0.964 1.00 1.34 C ATOM 0 H LEU B 555 9.055 2.206 -2.904 1.00 0.00 H new ATOM 0 HA LEU B 555 8.509 1.317 -0.333 1.00 0.00 H new ATOM 0 HB2 LEU B 555 8.515 -0.088 -3.019 1.00 0.03 H new ATOM 0 HB3 LEU B 555 7.913 -0.841 -1.556 1.00 0.03 H new ATOM 0 HG LEU B 555 6.836 1.742 -2.732 1.00 0.54 H new ATOM 0 HD11 LEU B 555 4.896 0.380 -3.402 1.00 1.49 H new ATOM 0 HD12 LEU B 555 6.390 -0.168 -4.198 1.00 1.49 H new ATOM 0 HD13 LEU B 555 5.728 -1.083 -2.823 1.00 1.49 H new ATOM 0 HD21 LEU B 555 4.980 1.390 -1.147 1.00 1.34 H new ATOM 0 HD22 LEU B 555 5.814 -0.039 -0.492 1.00 1.34 H new ATOM 0 HD23 LEU B 555 6.537 1.577 -0.305 1.00 1.34 H new ATOM 1234 N ARG B 556 11.072 -0.175 -1.756 1.00 0.00 N ATOM 1235 CA ARG B 556 12.244 -1.010 -1.531 1.00 0.00 C ATOM 1236 C ARG B 556 13.132 -0.534 -0.371 1.00 0.00 C ATOM 1237 O ARG B 556 13.691 -1.351 0.380 1.00 0.00 O ATOM 1238 CB ARG B 556 13.066 -1.070 -2.825 1.00 0.02 C ATOM 1239 CG ARG B 556 14.506 -1.520 -2.633 1.00 1.02 C ATOM 1240 CD ARG B 556 15.216 -1.685 -3.966 1.00 1.14 C ATOM 1241 NE ARG B 556 16.645 -1.933 -3.799 1.00 1.74 N ATOM 1242 CZ ARG B 556 17.497 -2.049 -4.813 1.00 2.13 C ATOM 1243 NH1 ARG B 556 17.065 -1.947 -6.064 1.00 1.99 N ATOM 1244 NH2 ARG B 556 18.784 -2.267 -4.577 1.00 3.09 N ATOM 0 H ARG B 556 10.984 0.165 -2.714 1.00 0.00 H new ATOM 0 HA ARG B 556 11.882 -1.998 -1.247 1.00 0.00 H new ATOM 0 HB2 ARG B 556 12.575 -1.750 -3.522 1.00 0.02 H new ATOM 0 HB3 ARG B 556 13.065 -0.083 -3.288 1.00 0.02 H new ATOM 0 HG2 ARG B 556 15.039 -0.791 -2.023 1.00 1.02 H new ATOM 0 HG3 ARG B 556 14.525 -2.465 -2.089 1.00 1.02 H new ATOM 0 HD2 ARG B 556 14.767 -2.512 -4.516 1.00 1.14 H new ATOM 0 HD3 ARG B 556 15.072 -0.787 -4.567 1.00 1.14 H new ATOM 0 HE ARG B 556 17.010 -2.022 -2.851 1.00 1.74 H new ATOM 0 HH11 ARG B 556 16.076 -1.779 -6.250 1.00 1.99 H new ATOM 0 HH12 ARG B 556 17.722 -2.037 -6.839 1.00 1.99 H new ATOM 0 HH21 ARG B 556 19.120 -2.346 -3.617 1.00 3.09 H new ATOM 0 HH22 ARG B 556 19.437 -2.356 -5.355 1.00 3.09 H new ATOM 1258 N ALA B 557 13.237 0.780 -0.208 1.00 0.00 N ATOM 1259 CA ALA B 557 14.099 1.333 0.837 1.00 0.00 C ATOM 1260 C ALA B 557 13.381 1.434 2.180 1.00 0.00 C ATOM 1261 O ALA B 557 14.029 1.658 3.196 1.00 0.00 O ATOM 1262 CB ALA B 557 14.621 2.699 0.415 1.00 0.00 C ATOM 0 H ALA B 557 12.747 1.474 -0.773 1.00 0.00 H new ATOM 0 HA ALA B 557 14.937 0.648 0.967 1.00 0.00 H new ATOM 0 HB1 ALA B 557 15.261 3.102 1.200 1.00 0.00 H new ATOM 0 HB2 ALA B 557 15.194 2.601 -0.507 1.00 0.00 H new ATOM 0 HB3 ALA B 557 13.781 3.374 0.250 1.00 0.00 H new ATOM 1268 N HIS B 558 12.060 1.265 2.189 1.00 0.00 N ATOM 1269 CA HIS B 558 11.288 1.401 3.442 1.00 0.00 C ATOM 1270 C HIS B 558 10.362 0.208 3.752 1.00 0.00 C ATOM 1271 O HIS B 558 9.151 0.301 3.572 1.00 0.00 O ATOM 1272 CB HIS B 558 10.466 2.689 3.398 1.00 0.08 C ATOM 1273 CG HIS B 558 11.265 3.894 3.006 1.00 1.15 C ATOM 1274 ND1 HIS B 558 12.411 4.287 3.669 1.00 2.12 N ATOM 1275 CD2 HIS B 558 11.080 4.796 2.014 1.00 2.10 C ATOM 1276 CE1 HIS B 558 12.893 5.379 3.101 1.00 2.93 C ATOM 1277 NE2 HIS B 558 12.104 5.707 2.095 1.00 2.91 N ATOM 0 H HIS B 558 11.503 1.038 1.365 1.00 0.00 H new ATOM 0 HA HIS B 558 12.022 1.429 4.247 1.00 0.00 H new ATOM 0 HB2 HIS B 558 9.644 2.562 2.693 1.00 0.08 H new ATOM 0 HB3 HIS B 558 10.021 2.861 4.378 1.00 0.08 H new ATOM 0 HD2 HIS B 558 10.276 4.799 1.293 1.00 2.10 H new ATOM 0 HE1 HIS B 558 13.781 5.912 3.408 1.00 2.93 H new ATOM 0 HE2 HIS B 558 12.234 6.508 1.477 1.00 2.91 H new ATOM 1286 N TRP B 559 10.924 -0.884 4.261 1.00 0.00 N ATOM 1287 CA TRP B 559 10.154 -2.120 4.518 1.00 0.00 C ATOM 1288 C TRP B 559 8.848 -1.962 5.322 1.00 0.00 C ATOM 1289 O TRP B 559 7.801 -2.516 4.947 1.00 0.00 O ATOM 1290 CB TRP B 559 11.050 -3.128 5.237 1.00 0.02 C ATOM 1291 CG TRP B 559 12.392 -3.298 4.596 1.00 1.09 C ATOM 1292 CD1 TRP B 559 12.682 -4.023 3.476 1.00 2.27 C ATOM 1293 CD2 TRP B 559 13.629 -2.733 5.041 1.00 1.54 C ATOM 1294 NE1 TRP B 559 14.025 -3.940 3.196 1.00 2.97 N ATOM 1295 CE2 TRP B 559 14.628 -3.154 4.143 1.00 2.47 C ATOM 1296 CE3 TRP B 559 13.988 -1.910 6.112 1.00 2.00 C ATOM 1297 CZ2 TRP B 559 15.962 -2.781 4.286 1.00 3.11 C ATOM 1298 CZ3 TRP B 559 15.312 -1.539 6.251 1.00 2.76 C ATOM 1299 CH2 TRP B 559 16.285 -1.974 5.342 1.00 3.08 C ATOM 0 H TRP B 559 11.912 -0.949 4.508 1.00 0.00 H new ATOM 0 HA TRP B 559 9.840 -2.457 3.530 1.00 0.00 H new ATOM 0 HB2 TRP B 559 11.187 -2.808 6.270 1.00 0.02 H new ATOM 0 HB3 TRP B 559 10.546 -4.094 5.267 1.00 0.02 H new ATOM 0 HD1 TRP B 559 11.962 -4.580 2.895 1.00 2.27 H new ATOM 0 HE1 TRP B 559 14.496 -4.390 2.411 1.00 2.97 H new ATOM 0 HE3 TRP B 559 13.245 -1.570 6.818 1.00 2.00 H new ATOM 0 HZ2 TRP B 559 16.715 -3.117 3.588 1.00 3.11 H new ATOM 0 HZ3 TRP B 559 15.601 -0.903 7.074 1.00 2.76 H new ATOM 0 HH2 TRP B 559 17.311 -1.666 5.478 1.00 3.08 H new ATOM 1310 N LYS B 560 8.927 -1.243 6.437 1.00 0.00 N ATOM 1311 CA LYS B 560 7.766 -1.020 7.282 1.00 0.00 C ATOM 1312 C LYS B 560 6.626 -0.373 6.494 1.00 0.00 C ATOM 1313 O LYS B 560 5.460 -0.680 6.711 1.00 0.00 O ATOM 1314 CB LYS B 560 8.139 -0.139 8.477 1.00 0.01 C ATOM 1315 CG LYS B 560 6.992 0.093 9.449 1.00 1.26 C ATOM 1316 CD LYS B 560 6.558 -1.199 10.122 1.00 1.83 C ATOM 1317 CE LYS B 560 5.393 -0.970 11.072 1.00 2.58 C ATOM 1318 NZ LYS B 560 5.748 -0.032 12.173 1.00 3.32 N ATOM 0 H LYS B 560 9.785 -0.806 6.774 1.00 0.00 H new ATOM 0 HA LYS B 560 7.425 -1.990 7.645 1.00 0.00 H new ATOM 0 HB2 LYS B 560 8.969 -0.601 9.012 1.00 0.01 H new ATOM 0 HB3 LYS B 560 8.493 0.824 8.110 1.00 0.01 H new ATOM 0 HG2 LYS B 560 7.297 0.814 10.207 1.00 1.26 H new ATOM 0 HG3 LYS B 560 6.146 0.529 8.917 1.00 1.26 H new ATOM 0 HD2 LYS B 560 6.272 -1.927 9.363 1.00 1.83 H new ATOM 0 HD3 LYS B 560 7.398 -1.624 10.671 1.00 1.83 H new ATOM 0 HE2 LYS B 560 4.544 -0.572 10.516 1.00 2.58 H new ATOM 0 HE3 LYS B 560 5.077 -1.924 11.495 1.00 2.58 H new ATOM 0 HZ1 LYS B 560 5.008 -0.059 12.904 1.00 3.32 H new ATOM 0 HZ2 LYS B 560 6.657 -0.315 12.590 1.00 3.32 H new ATOM 0 HZ3 LYS B 560 5.826 0.934 11.795 1.00 3.32 H new ATOM 1332 N PHE B 561 6.958 0.519 5.571 1.00 0.00 N ATOM 1333 CA PHE B 561 5.915 1.090 4.729 1.00 0.00 C ATOM 1334 C PHE B 561 5.432 0.093 3.657 1.00 0.00 C ATOM 1335 O PHE B 561 4.233 -0.061 3.440 1.00 0.00 O ATOM 1336 CB PHE B 561 6.410 2.373 4.056 1.00 0.03 C ATOM 1337 CG PHE B 561 5.318 3.372 3.791 1.00 0.40 C ATOM 1338 CD1 PHE B 561 4.267 3.064 2.940 1.00 0.95 C ATOM 1339 CD2 PHE B 561 5.338 4.617 4.399 1.00 0.98 C ATOM 1340 CE1 PHE B 561 3.259 3.979 2.699 1.00 1.18 C ATOM 1341 CE2 PHE B 561 4.333 5.536 4.162 1.00 1.25 C ATOM 1342 CZ PHE B 561 3.293 5.216 3.312 1.00 1.14 C ATOM 0 H PHE B 561 7.904 0.854 5.389 1.00 0.00 H new ATOM 0 HA PHE B 561 5.070 1.323 5.377 1.00 0.00 H new ATOM 0 HB2 PHE B 561 7.169 2.835 4.687 1.00 0.03 H new ATOM 0 HB3 PHE B 561 6.893 2.116 3.113 1.00 0.03 H new ATOM 0 HD1 PHE B 561 4.236 2.097 2.460 1.00 0.95 H new ATOM 0 HD2 PHE B 561 6.148 4.872 5.066 1.00 0.98 H new ATOM 0 HE1 PHE B 561 2.447 3.727 2.033 1.00 1.18 H new ATOM 0 HE2 PHE B 561 4.361 6.503 4.641 1.00 1.25 H new ATOM 0 HZ PHE B 561 2.507 5.933 3.127 1.00 1.14 H new ATOM 1352 N LEU B 562 6.375 -0.579 2.997 1.00 0.00 N ATOM 1353 CA LEU B 562 6.061 -1.621 2.038 1.00 0.00 C ATOM 1354 C LEU B 562 5.078 -2.619 2.643 1.00 0.00 C ATOM 1355 O LEU B 562 3.984 -2.804 2.118 1.00 0.00 O ATOM 1356 CB LEU B 562 7.348 -2.344 1.627 1.00 0.03 C ATOM 1357 CG LEU B 562 7.162 -3.550 0.707 1.00 0.45 C ATOM 1358 CD1 LEU B 562 6.808 -3.096 -0.699 1.00 1.32 C ATOM 1359 CD2 LEU B 562 8.419 -4.407 0.693 1.00 1.23 C ATOM 0 H LEU B 562 7.374 -0.412 3.116 1.00 0.00 H new ATOM 0 HA LEU B 562 5.602 -1.167 1.159 1.00 0.00 H new ATOM 0 HB2 LEU B 562 8.003 -1.628 1.130 1.00 0.03 H new ATOM 0 HB3 LEU B 562 7.862 -2.674 2.530 1.00 0.03 H new ATOM 0 HG LEU B 562 6.339 -4.154 1.090 1.00 0.45 H new ATOM 0 HD11 LEU B 562 6.679 -3.967 -1.341 1.00 1.32 H new ATOM 0 HD12 LEU B 562 5.881 -2.523 -0.674 1.00 1.32 H new ATOM 0 HD13 LEU B 562 7.610 -2.471 -1.092 1.00 1.32 H new ATOM 0 HD21 LEU B 562 8.269 -5.261 0.033 1.00 1.23 H new ATOM 0 HD22 LEU B 562 9.260 -3.814 0.334 1.00 1.23 H new ATOM 0 HD23 LEU B 562 8.630 -4.761 1.702 1.00 1.23 H new ATOM 1371 N LYS B 563 5.467 -3.250 3.753 1.00 0.00 N ATOM 1372 CA LYS B 563 4.600 -4.216 4.444 1.00 0.00 C ATOM 1373 C LYS B 563 3.183 -3.694 4.717 1.00 0.00 C ATOM 1374 O LYS B 563 2.198 -4.432 4.605 1.00 0.00 O ATOM 1375 CB LYS B 563 5.249 -4.636 5.764 1.00 0.03 C ATOM 1376 CG LYS B 563 6.588 -5.337 5.587 1.00 1.29 C ATOM 1377 CD LYS B 563 7.274 -5.595 6.922 1.00 1.53 C ATOM 1378 CE LYS B 563 6.672 -6.789 7.649 1.00 2.10 C ATOM 1379 NZ LYS B 563 5.294 -6.511 8.143 1.00 2.74 N ATOM 0 H LYS B 563 6.376 -3.112 4.195 1.00 0.00 H new ATOM 0 HA LYS B 563 4.493 -5.067 3.771 1.00 0.00 H new ATOM 0 HB2 LYS B 563 5.390 -3.753 6.387 1.00 0.03 H new ATOM 0 HB3 LYS B 563 4.569 -5.299 6.299 1.00 0.03 H new ATOM 0 HG2 LYS B 563 6.437 -6.283 5.068 1.00 1.29 H new ATOM 0 HG3 LYS B 563 7.236 -4.728 4.957 1.00 1.29 H new ATOM 0 HD2 LYS B 563 8.337 -5.770 6.756 1.00 1.53 H new ATOM 0 HD3 LYS B 563 7.191 -4.708 7.550 1.00 1.53 H new ATOM 0 HE2 LYS B 563 6.649 -7.647 6.977 1.00 2.10 H new ATOM 0 HE3 LYS B 563 7.310 -7.059 8.490 1.00 2.10 H new ATOM 0 HZ1 LYS B 563 5.162 -6.957 9.073 1.00 2.74 H new ATOM 0 HZ2 LYS B 563 5.157 -5.484 8.229 1.00 2.74 H new ATOM 0 HZ3 LYS B 563 4.600 -6.898 7.472 1.00 2.74 H new ATOM 1393 N THR B 564 3.096 -2.411 5.074 1.00 0.00 N ATOM 1394 CA THR B 564 1.834 -1.783 5.448 1.00 0.00 C ATOM 1395 C THR B 564 0.949 -1.596 4.221 1.00 0.00 C ATOM 1396 O THR B 564 -0.273 -1.766 4.273 1.00 0.00 O ATOM 1397 CB THR B 564 2.061 -0.415 6.123 1.00 0.03 C ATOM 1398 OG1 THR B 564 2.889 -0.568 7.280 1.00 1.17 O ATOM 1399 CG2 THR B 564 0.738 0.218 6.527 1.00 1.24 C ATOM 0 H THR B 564 3.898 -1.782 5.111 1.00 0.00 H new ATOM 0 HA THR B 564 1.341 -2.444 6.160 1.00 0.00 H new ATOM 0 HB THR B 564 2.556 0.238 5.404 1.00 0.03 H new ATOM 0 HG1 THR B 564 3.831 -0.509 7.018 1.00 1.17 H new ATOM 0 HG21 THR B 564 0.925 1.182 7.001 1.00 1.24 H new ATOM 0 HG22 THR B 564 0.119 0.363 5.642 1.00 1.24 H new ATOM 0 HG23 THR B 564 0.221 -0.437 7.228 1.00 1.24 H new ATOM 1407 N VAL B 565 1.573 -1.224 3.116 1.00 0.00 N ATOM 1408 CA VAL B 565 0.882 -1.145 1.840 1.00 0.00 C ATOM 1409 C VAL B 565 0.350 -2.513 1.371 1.00 0.00 C ATOM 1410 O VAL B 565 -0.763 -2.604 0.859 1.00 0.00 O ATOM 1411 CB VAL B 565 1.795 -0.565 0.747 1.00 0.06 C ATOM 1412 CG1 VAL B 565 1.046 -0.469 -0.577 1.00 1.19 C ATOM 1413 CG2 VAL B 565 2.326 0.797 1.169 1.00 1.18 C ATOM 0 H VAL B 565 2.560 -0.971 3.077 1.00 0.00 H new ATOM 0 HA VAL B 565 0.032 -0.482 2.001 1.00 0.00 H new ATOM 0 HB VAL B 565 2.644 -1.235 0.609 1.00 0.06 H new ATOM 0 HG11 VAL B 565 1.707 -0.057 -1.340 1.00 1.19 H new ATOM 0 HG12 VAL B 565 0.716 -1.462 -0.881 1.00 1.19 H new ATOM 0 HG13 VAL B 565 0.179 0.181 -0.458 1.00 1.19 H new ATOM 0 HG21 VAL B 565 2.971 1.195 0.385 1.00 1.18 H new ATOM 0 HG22 VAL B 565 1.491 1.478 1.333 1.00 1.18 H new ATOM 0 HG23 VAL B 565 2.897 0.695 2.092 1.00 1.18 H new ATOM 1423 N VAL B 566 1.148 -3.561 1.548 1.00 0.00 N ATOM 1424 CA VAL B 566 0.755 -4.880 1.066 1.00 0.00 C ATOM 1425 C VAL B 566 -0.384 -5.447 1.904 1.00 0.00 C ATOM 1426 O VAL B 566 -1.412 -5.873 1.369 1.00 0.00 O ATOM 1427 CB VAL B 566 1.939 -5.865 1.088 1.00 0.04 C ATOM 1428 CG1 VAL B 566 1.535 -7.199 0.484 1.00 1.36 C ATOM 1429 CG2 VAL B 566 3.136 -5.284 0.349 1.00 1.36 C ATOM 0 H VAL B 566 2.055 -3.525 2.013 1.00 0.00 H new ATOM 0 HA VAL B 566 0.421 -4.757 0.036 1.00 0.00 H new ATOM 0 HB VAL B 566 2.226 -6.031 2.126 1.00 0.04 H new ATOM 0 HG11 VAL B 566 2.384 -7.882 0.508 1.00 1.36 H new ATOM 0 HG12 VAL B 566 0.712 -7.624 1.058 1.00 1.36 H new ATOM 0 HG13 VAL B 566 1.219 -7.050 -0.548 1.00 1.36 H new ATOM 0 HG21 VAL B 566 3.961 -5.996 0.377 1.00 1.36 H new ATOM 0 HG22 VAL B 566 2.862 -5.085 -0.687 1.00 1.36 H new ATOM 0 HG23 VAL B 566 3.443 -4.354 0.828 1.00 1.36 H new ATOM 1439 N ASN B 567 -0.204 -5.433 3.218 1.00 0.00 N ATOM 1440 CA ASN B 567 -1.296 -5.756 4.118 1.00 0.00 C ATOM 1441 C ASN B 567 -2.564 -4.942 3.801 1.00 0.00 C ATOM 1442 O ASN B 567 -3.674 -5.446 3.906 1.00 0.00 O ATOM 1443 CB ASN B 567 -0.872 -5.509 5.565 1.00 0.01 C ATOM 1444 CG ASN B 567 -1.953 -5.892 6.557 1.00 1.12 C ATOM 1445 OD1 ASN B 567 -2.010 -7.031 7.021 1.00 1.94 O ATOM 1446 ND2 ASN B 567 -2.821 -4.942 6.885 1.00 1.91 N ATOM 0 H ASN B 567 0.677 -5.204 3.677 1.00 0.00 H new ATOM 0 HA ASN B 567 -1.534 -6.810 3.978 1.00 0.00 H new ATOM 0 HB2 ASN B 567 0.032 -6.080 5.778 1.00 0.01 H new ATOM 0 HB3 ASN B 567 -0.622 -4.456 5.693 1.00 0.01 H new ATOM 0 HD21 ASN B 567 -3.572 -5.143 7.545 1.00 1.91 H new ATOM 0 HD22 ASN B 567 -2.737 -4.011 6.476 1.00 1.91 H new ATOM 1453 N LYS B 568 -2.393 -3.681 3.422 1.00 0.00 N ATOM 1454 CA LYS B 568 -3.539 -2.830 3.119 1.00 0.00 C ATOM 1455 C LYS B 568 -4.157 -3.254 1.800 1.00 0.00 C ATOM 1456 O LYS B 568 -5.362 -3.142 1.614 1.00 0.00 O ATOM 1457 CB LYS B 568 -3.125 -1.359 3.055 1.00 0.02 C ATOM 1458 CG LYS B 568 -2.958 -0.714 4.420 1.00 0.94 C ATOM 1459 CD LYS B 568 -4.283 -0.608 5.156 1.00 1.74 C ATOM 1460 CE LYS B 568 -4.077 -0.221 6.610 1.00 2.68 C ATOM 1461 NZ LYS B 568 -3.300 1.041 6.740 1.00 3.53 N ATOM 0 H LYS B 568 -1.485 -3.229 3.318 1.00 0.00 H new ATOM 0 HA LYS B 568 -4.274 -2.942 3.916 1.00 0.00 H new ATOM 0 HB2 LYS B 568 -2.186 -1.278 2.507 1.00 0.02 H new ATOM 0 HB3 LYS B 568 -3.873 -0.804 2.489 1.00 0.02 H new ATOM 0 HG2 LYS B 568 -2.256 -1.298 5.015 1.00 0.94 H new ATOM 0 HG3 LYS B 568 -2.526 0.280 4.303 1.00 0.94 H new ATOM 0 HD2 LYS B 568 -4.915 0.133 4.666 1.00 1.74 H new ATOM 0 HD3 LYS B 568 -4.809 -1.561 5.102 1.00 1.74 H new ATOM 0 HE2 LYS B 568 -5.046 -0.103 7.096 1.00 2.68 H new ATOM 0 HE3 LYS B 568 -3.555 -1.025 7.130 1.00 2.68 H new ATOM 0 HZ1 LYS B 568 -2.933 1.125 7.710 1.00 3.53 H new ATOM 0 HZ2 LYS B 568 -2.505 1.030 6.069 1.00 3.53 H new ATOM 0 HZ3 LYS B 568 -3.917 1.852 6.532 1.00 3.53 H new ATOM 1475 N LEU B 569 -3.317 -3.729 0.889 1.00 0.00 N ATOM 1476 CA LEU B 569 -3.775 -4.228 -0.392 1.00 0.00 C ATOM 1477 C LEU B 569 -4.584 -5.516 -0.158 1.00 0.00 C ATOM 1478 O LEU B 569 -5.572 -5.770 -0.842 1.00 0.00 O ATOM 1479 CB LEU B 569 -2.591 -4.507 -1.321 1.00 0.05 C ATOM 1480 CG LEU B 569 -1.930 -3.265 -1.920 1.00 1.14 C ATOM 1481 CD1 LEU B 569 -0.599 -3.626 -2.559 1.00 2.01 C ATOM 1482 CD2 LEU B 569 -2.848 -2.614 -2.943 1.00 1.89 C ATOM 0 H LEU B 569 -2.307 -3.777 1.020 1.00 0.00 H new ATOM 0 HA LEU B 569 -4.403 -3.476 -0.870 1.00 0.00 H new ATOM 0 HB2 LEU B 569 -1.839 -5.068 -0.767 1.00 0.05 H new ATOM 0 HB3 LEU B 569 -2.931 -5.147 -2.135 1.00 0.05 H new ATOM 0 HG LEU B 569 -1.746 -2.552 -1.116 1.00 1.14 H new ATOM 0 HD11 LEU B 569 -0.143 -2.730 -2.980 1.00 2.01 H new ATOM 0 HD12 LEU B 569 0.064 -4.050 -1.805 1.00 2.01 H new ATOM 0 HD13 LEU B 569 -0.762 -4.357 -3.351 1.00 2.01 H new ATOM 0 HD21 LEU B 569 -2.362 -1.732 -3.359 1.00 1.89 H new ATOM 0 HD22 LEU B 569 -3.061 -3.322 -3.744 1.00 1.89 H new ATOM 0 HD23 LEU B 569 -3.780 -2.321 -2.461 1.00 1.89 H new ATOM 1494 N PHE B 570 -4.158 -6.320 0.812 1.00 0.00 N ATOM 1495 CA PHE B 570 -4.869 -7.553 1.146 1.00 0.00 C ATOM 1496 C PHE B 570 -6.245 -7.222 1.697 1.00 0.00 C ATOM 1497 O PHE B 570 -7.226 -7.899 1.395 1.00 0.00 O ATOM 1498 CB PHE B 570 -4.088 -8.374 2.176 1.00 0.02 C ATOM 1499 CG PHE B 570 -2.859 -9.040 1.628 1.00 1.32 C ATOM 1500 CD1 PHE B 570 -2.893 -9.707 0.413 1.00 2.04 C ATOM 1501 CD2 PHE B 570 -1.669 -9.007 2.335 1.00 1.92 C ATOM 1502 CE1 PHE B 570 -1.764 -10.326 -0.086 1.00 3.25 C ATOM 1503 CE2 PHE B 570 -0.537 -9.623 1.841 1.00 3.12 C ATOM 1504 CZ PHE B 570 -0.583 -10.284 0.629 1.00 3.77 C ATOM 0 H PHE B 570 -3.329 -6.143 1.379 1.00 0.00 H new ATOM 0 HA PHE B 570 -4.971 -8.145 0.236 1.00 0.00 H new ATOM 0 HB2 PHE B 570 -3.798 -7.722 2.999 1.00 0.02 H new ATOM 0 HB3 PHE B 570 -4.747 -9.137 2.591 1.00 0.02 H new ATOM 0 HD1 PHE B 570 -3.814 -9.743 -0.150 1.00 2.04 H new ATOM 0 HD2 PHE B 570 -1.626 -8.493 3.284 1.00 1.92 H new ATOM 0 HE1 PHE B 570 -1.804 -10.842 -1.034 1.00 3.25 H new ATOM 0 HE2 PHE B 570 0.385 -9.588 2.402 1.00 3.12 H new ATOM 0 HZ PHE B 570 0.302 -10.767 0.242 1.00 3.77 H new ATOM 1514 N GLU B 571 -6.312 -6.169 2.507 1.00 0.00 N ATOM 1515 CA GLU B 571 -7.598 -5.735 3.025 1.00 0.00 C ATOM 1516 C GLU B 571 -8.563 -5.413 1.870 1.00 0.00 C ATOM 1517 O GLU B 571 -9.660 -5.949 1.803 1.00 0.00 O ATOM 1518 CB GLU B 571 -7.422 -4.504 3.918 1.00 0.01 C ATOM 1519 CG GLU B 571 -8.697 -4.082 4.630 1.00 1.13 C ATOM 1520 CD GLU B 571 -9.168 -5.112 5.638 1.00 1.67 C ATOM 1521 OE1 GLU B 571 -9.905 -6.038 5.241 1.00 2.47 O ATOM 1522 OE2 GLU B 571 -8.800 -4.991 6.825 1.00 1.97 O ATOM 0 H GLU B 571 -5.511 -5.615 2.811 1.00 0.00 H new ATOM 0 HA GLU B 571 -8.021 -6.545 3.619 1.00 0.00 H new ATOM 0 HB2 GLU B 571 -6.652 -4.712 4.661 1.00 0.01 H new ATOM 0 HB3 GLU B 571 -7.063 -3.673 3.311 1.00 0.01 H new ATOM 0 HG2 GLU B 571 -8.528 -3.132 5.138 1.00 1.13 H new ATOM 0 HG3 GLU B 571 -9.482 -3.914 3.893 1.00 1.13 H new ATOM 1529 N PHE B 572 -8.131 -4.552 0.952 1.00 0.00 N ATOM 1530 CA PHE B 572 -8.975 -4.133 -0.141 1.00 0.00 C ATOM 1531 C PHE B 572 -9.403 -5.281 -1.087 1.00 0.00 C ATOM 1532 O PHE B 572 -10.263 -5.083 -1.934 1.00 0.00 O ATOM 1533 CB PHE B 572 -8.274 -3.049 -0.963 1.00 0.03 C ATOM 1534 CG PHE B 572 -8.182 -1.721 -0.265 1.00 0.34 C ATOM 1535 CD1 PHE B 572 -9.327 -1.002 0.036 1.00 1.03 C ATOM 1536 CD2 PHE B 572 -6.951 -1.193 0.087 1.00 1.02 C ATOM 1537 CE1 PHE B 572 -9.246 0.220 0.677 1.00 1.23 C ATOM 1538 CE2 PHE B 572 -6.863 0.028 0.727 1.00 1.21 C ATOM 1539 CZ PHE B 572 -8.011 0.736 1.022 1.00 0.99 C ATOM 0 H PHE B 572 -7.200 -4.136 0.952 1.00 0.00 H new ATOM 0 HA PHE B 572 -9.884 -3.749 0.322 1.00 0.00 H new ATOM 0 HB2 PHE B 572 -7.268 -3.388 -1.212 1.00 0.03 H new ATOM 0 HB3 PHE B 572 -8.808 -2.918 -1.904 1.00 0.03 H new ATOM 0 HD1 PHE B 572 -10.294 -1.401 -0.233 1.00 1.03 H new ATOM 0 HD2 PHE B 572 -6.050 -1.742 -0.141 1.00 1.02 H new ATOM 0 HE1 PHE B 572 -10.146 0.771 0.908 1.00 1.23 H new ATOM 0 HE2 PHE B 572 -5.897 0.429 0.996 1.00 1.21 H new ATOM 0 HZ PHE B 572 -7.944 1.691 1.521 1.00 0.99 H new ATOM 1549 N MET B 573 -8.818 -6.466 -0.944 1.00 0.00 N ATOM 1550 CA MET B 573 -9.197 -7.589 -1.780 1.00 0.00 C ATOM 1551 C MET B 573 -10.523 -8.157 -1.303 1.00 0.00 C ATOM 1552 O MET B 573 -11.112 -9.052 -1.930 1.00 0.00 O ATOM 1553 CB MET B 573 -8.125 -8.680 -1.757 1.00 0.03 C ATOM 1554 CG MET B 573 -6.736 -8.187 -2.124 1.00 0.87 C ATOM 1555 SD MET B 573 -5.672 -9.501 -2.751 1.00 1.42 S ATOM 1556 CE MET B 573 -5.804 -10.710 -1.438 1.00 2.11 C ATOM 0 H MET B 573 -8.087 -6.668 -0.262 1.00 0.00 H new ATOM 0 HA MET B 573 -9.298 -7.235 -2.806 1.00 0.00 H new ATOM 0 HB2 MET B 573 -8.092 -9.122 -0.761 1.00 0.03 H new ATOM 0 HB3 MET B 573 -8.413 -9.473 -2.448 1.00 0.03 H new ATOM 0 HG2 MET B 573 -6.821 -7.404 -2.877 1.00 0.87 H new ATOM 0 HG3 MET B 573 -6.271 -7.737 -1.247 1.00 0.87 H new ATOM 0 HE1 MET B 573 -4.836 -11.187 -1.284 1.00 2.11 H new ATOM 0 HE2 MET B 573 -6.116 -10.215 -0.518 1.00 2.11 H new ATOM 0 HE3 MET B 573 -6.541 -11.465 -1.712 1.00 2.11 H new ATOM 1566 N HIS B 574 -10.995 -7.608 -0.192 1.00 0.00 N ATOM 1567 CA HIS B 574 -12.310 -7.939 0.329 1.00 0.00 C ATOM 1568 C HIS B 574 -13.278 -6.776 0.172 1.00 0.00 C ATOM 1569 O HIS B 574 -14.434 -6.875 0.562 1.00 0.00 O ATOM 1570 CB HIS B 574 -12.209 -8.364 1.802 1.00 0.02 C ATOM 1571 CG HIS B 574 -12.448 -7.259 2.792 1.00 1.30 C ATOM 1572 ND1 HIS B 574 -12.140 -5.936 2.545 1.00 2.28 N ATOM 1573 CD2 HIS B 574 -12.976 -7.290 4.040 1.00 2.30 C ATOM 1574 CE1 HIS B 574 -12.470 -5.205 3.594 1.00 3.20 C ATOM 1575 NE2 HIS B 574 -12.979 -6.002 4.515 1.00 3.20 N ATOM 0 H HIS B 574 -10.481 -6.927 0.367 1.00 0.00 H new ATOM 0 HA HIS B 574 -12.701 -8.775 -0.251 1.00 0.00 H new ATOM 0 HB2 HIS B 574 -12.930 -9.161 1.986 1.00 0.02 H new ATOM 0 HB3 HIS B 574 -11.218 -8.783 1.978 1.00 0.02 H new ATOM 0 HD2 HIS B 574 -13.329 -8.166 4.564 1.00 2.30 H new ATOM 0 HE1 HIS B 574 -12.345 -4.136 3.683 1.00 3.20 H new ATOM 0 HE2 HIS B 574 -13.319 -5.709 5.431 1.00 3.20 H new ATOM 1584 N GLU B 575 -12.785 -5.670 -0.387 1.00 0.00 N ATOM 1585 CA GLU B 575 -13.613 -4.500 -0.648 1.00 0.00 C ATOM 1586 C GLU B 575 -14.619 -4.804 -1.743 1.00 0.00 C ATOM 1587 O GLU B 575 -14.261 -5.306 -2.811 1.00 0.00 O ATOM 1588 CB GLU B 575 -12.739 -3.309 -1.050 1.00 0.02 C ATOM 1589 CG GLU B 575 -13.529 -2.048 -1.359 1.00 0.96 C ATOM 1590 CD GLU B 575 -14.417 -1.618 -0.207 1.00 1.15 C ATOM 1591 OE1 GLU B 575 -13.887 -1.420 0.907 1.00 1.55 O ATOM 1592 OE2 GLU B 575 -15.639 -1.479 -0.419 1.00 1.55 O ATOM 0 H GLU B 575 -11.810 -5.564 -0.668 1.00 0.00 H new ATOM 0 HA GLU B 575 -14.153 -4.245 0.264 1.00 0.00 H new ATOM 0 HB2 GLU B 575 -12.035 -3.098 -0.245 1.00 0.02 H new ATOM 0 HB3 GLU B 575 -12.149 -3.581 -1.925 1.00 0.02 H new ATOM 0 HG2 GLU B 575 -12.838 -1.241 -1.601 1.00 0.96 H new ATOM 0 HG3 GLU B 575 -14.144 -2.217 -2.243 1.00 0.96 H new ATOM 1599 N THR B 576 -15.881 -4.490 -1.487 1.00 0.00 N ATOM 1600 CA THR B 576 -16.918 -4.801 -2.451 1.00 0.00 C ATOM 1601 C THR B 576 -17.120 -3.694 -3.488 1.00 0.00 C ATOM 1602 O THR B 576 -17.652 -3.946 -4.569 1.00 0.00 O ATOM 1603 CB THR B 576 -18.261 -5.068 -1.747 1.00 0.00 C ATOM 1604 OG1 THR B 576 -19.263 -5.406 -2.713 1.00 1.33 O ATOM 1605 CG2 THR B 576 -18.707 -3.849 -0.953 1.00 1.40 C ATOM 0 H THR B 576 -16.204 -4.029 -0.636 1.00 0.00 H new ATOM 0 HA THR B 576 -16.580 -5.697 -2.972 1.00 0.00 H new ATOM 0 HB THR B 576 -18.125 -5.902 -1.058 1.00 0.00 H new ATOM 0 HG1 THR B 576 -18.997 -5.067 -3.593 1.00 1.33 H new ATOM 0 HG21 THR B 576 -19.658 -4.061 -0.464 1.00 1.40 H new ATOM 0 HG22 THR B 576 -17.957 -3.611 -0.199 1.00 1.40 H new ATOM 0 HG23 THR B 576 -18.826 -3.000 -1.626 1.00 1.40 H new ATOM 1613 N HIS B 577 -16.701 -2.475 -3.170 1.00 0.00 N ATOM 1614 CA HIS B 577 -16.953 -1.348 -4.069 1.00 0.00 C ATOM 1615 C HIS B 577 -16.317 -1.545 -5.450 1.00 0.00 C ATOM 1616 O HIS B 577 -15.130 -1.834 -5.574 1.00 0.00 O ATOM 1617 CB HIS B 577 -16.437 -0.049 -3.449 1.00 0.04 C ATOM 1618 CG HIS B 577 -16.833 1.171 -4.220 1.00 1.15 C ATOM 1619 ND1 HIS B 577 -17.804 2.050 -3.791 1.00 2.11 N ATOM 1620 CD2 HIS B 577 -16.387 1.655 -5.404 1.00 2.04 C ATOM 1621 CE1 HIS B 577 -17.939 3.020 -4.676 1.00 2.85 C ATOM 1622 NE2 HIS B 577 -17.091 2.805 -5.664 1.00 2.79 N ATOM 0 H HIS B 577 -16.195 -2.241 -2.316 1.00 0.00 H new ATOM 0 HA HIS B 577 -18.033 -1.291 -4.208 1.00 0.00 H new ATOM 0 HB2 HIS B 577 -16.815 0.035 -2.430 1.00 0.04 H new ATOM 0 HB3 HIS B 577 -15.350 -0.092 -3.383 1.00 0.04 H new ATOM 0 HD2 HIS B 577 -15.621 1.218 -6.027 1.00 2.04 H new ATOM 0 HE1 HIS B 577 -18.627 3.849 -4.604 1.00 2.85 H new ATOM 0 HE2 HIS B 577 -16.977 3.397 -6.487 1.00 2.79 H new ATOM 1631 N ASP B 578 -17.138 -1.382 -6.485 1.00 0.00 N ATOM 1632 CA ASP B 578 -16.760 -1.694 -7.860 1.00 0.00 C ATOM 1633 C ASP B 578 -15.362 -1.179 -8.232 1.00 0.00 C ATOM 1634 O ASP B 578 -15.060 -0.002 -8.048 1.00 0.00 O ATOM 1635 CB ASP B 578 -17.795 -1.118 -8.827 1.00 0.00 C ATOM 1636 CG ASP B 578 -17.940 0.384 -8.689 1.00 1.37 C ATOM 1637 OD1 ASP B 578 -18.769 0.827 -7.867 1.00 2.04 O ATOM 1638 OD2 ASP B 578 -17.226 1.117 -9.405 1.00 2.15 O ATOM 0 H ASP B 578 -18.090 -1.028 -6.392 1.00 0.00 H new ATOM 0 HA ASP B 578 -16.730 -2.781 -7.939 1.00 0.00 H new ATOM 0 HB2 ASP B 578 -17.507 -1.360 -9.850 1.00 0.00 H new ATOM 0 HB3 ASP B 578 -18.760 -1.592 -8.647 1.00 0.00 H new ATOM 1643 N GLY B 579 -14.512 -2.082 -8.723 1.00 0.00 N ATOM 1644 CA GLY B 579 -13.190 -1.721 -9.219 1.00 0.00 C ATOM 1645 C GLY B 579 -12.038 -1.883 -8.243 1.00 0.00 C ATOM 1646 O GLY B 579 -10.927 -2.212 -8.634 1.00 0.00 O ATOM 0 H GLY B 579 -14.722 -3.078 -8.786 1.00 0.00 H new ATOM 0 HA2 GLY B 579 -12.979 -2.325 -10.101 1.00 0.00 H new ATOM 0 HA3 GLY B 579 -13.219 -0.681 -9.545 1.00 0.00 H new ATOM 1650 N VAL B 580 -12.298 -1.636 -6.966 1.00 0.00 N ATOM 1651 CA VAL B 580 -11.263 -1.660 -5.944 1.00 0.00 C ATOM 1652 C VAL B 580 -10.473 -2.961 -5.926 1.00 0.00 C ATOM 1653 O VAL B 580 -9.241 -2.942 -5.857 1.00 0.00 O ATOM 1654 CB VAL B 580 -11.862 -1.422 -4.545 1.00 0.05 C ATOM 1655 CG1 VAL B 580 -10.761 -1.347 -3.495 1.00 1.28 C ATOM 1656 CG2 VAL B 580 -12.702 -0.154 -4.535 1.00 1.29 C ATOM 0 H VAL B 580 -13.228 -1.414 -6.612 1.00 0.00 H new ATOM 0 HA VAL B 580 -10.577 -0.853 -6.201 1.00 0.00 H new ATOM 0 HB VAL B 580 -12.509 -2.264 -4.299 1.00 0.05 H new ATOM 0 HG11 VAL B 580 -11.205 -1.178 -2.514 1.00 1.28 H new ATOM 0 HG12 VAL B 580 -10.203 -2.283 -3.485 1.00 1.28 H new ATOM 0 HG13 VAL B 580 -10.086 -0.525 -3.734 1.00 1.28 H new ATOM 0 HG21 VAL B 580 -13.118 -0.001 -3.539 1.00 1.29 H new ATOM 0 HG22 VAL B 580 -12.077 0.698 -4.803 1.00 1.29 H new ATOM 0 HG23 VAL B 580 -13.514 -0.250 -5.256 1.00 1.29 H new ATOM 1666 N GLN B 581 -11.181 -4.085 -5.981 1.00 0.00 N ATOM 1667 CA GLN B 581 -10.528 -5.395 -5.966 1.00 0.00 C ATOM 1668 C GLN B 581 -9.562 -5.580 -7.142 1.00 0.00 C ATOM 1669 O GLN B 581 -8.472 -6.118 -6.987 1.00 0.00 O ATOM 1670 CB GLN B 581 -11.570 -6.515 -6.004 1.00 0.01 C ATOM 1671 CG GLN B 581 -12.696 -6.351 -4.998 1.00 1.21 C ATOM 1672 CD GLN B 581 -13.916 -5.676 -5.594 1.00 1.41 C ATOM 1673 OE1 GLN B 581 -14.796 -6.336 -6.146 1.00 1.90 O ATOM 1674 NE2 GLN B 581 -13.980 -4.355 -5.477 1.00 1.99 N ATOM 0 H GLN B 581 -12.199 -4.119 -6.036 1.00 0.00 H new ATOM 0 HA GLN B 581 -9.955 -5.444 -5.040 1.00 0.00 H new ATOM 0 HB2 GLN B 581 -11.997 -6.565 -7.006 1.00 0.01 H new ATOM 0 HB3 GLN B 581 -11.071 -7.467 -5.822 1.00 0.01 H new ATOM 0 HG2 GLN B 581 -12.979 -7.330 -4.612 1.00 1.21 H new ATOM 0 HG3 GLN B 581 -12.339 -5.766 -4.151 1.00 1.21 H new ATOM 0 HE21 GLN B 581 -13.228 -3.847 -5.012 1.00 1.99 H new ATOM 0 HE22 GLN B 581 -14.781 -3.848 -5.853 1.00 1.99 H new ATOM 1683 N ASP B 582 -9.981 -5.145 -8.321 1.00 0.00 N ATOM 1684 CA ASP B 582 -9.102 -5.107 -9.474 1.00 0.00 C ATOM 1685 C ASP B 582 -7.888 -4.203 -9.245 1.00 0.00 C ATOM 1686 O ASP B 582 -6.774 -4.569 -9.598 1.00 0.00 O ATOM 1687 CB ASP B 582 -9.873 -4.631 -10.705 1.00 0.00 C ATOM 1688 CG ASP B 582 -11.023 -5.554 -11.060 1.00 1.21 C ATOM 1689 OD1 ASP B 582 -12.129 -5.363 -10.510 1.00 2.23 O ATOM 1690 OD2 ASP B 582 -10.817 -6.467 -11.887 1.00 1.15 O ATOM 0 H ASP B 582 -10.928 -4.813 -8.502 1.00 0.00 H new ATOM 0 HA ASP B 582 -8.735 -6.120 -9.635 1.00 0.00 H new ATOM 0 HB2 ASP B 582 -10.259 -3.628 -10.523 1.00 0.00 H new ATOM 0 HB3 ASP B 582 -9.191 -4.562 -11.553 1.00 0.00 H new ATOM 1695 N MET B 583 -8.111 -3.035 -8.640 1.00 0.00 N ATOM 1696 CA MET B 583 -7.012 -2.149 -8.291 1.00 0.00 C ATOM 1697 C MET B 583 -6.063 -2.837 -7.326 1.00 0.00 C ATOM 1698 O MET B 583 -4.844 -2.842 -7.539 1.00 0.00 O ATOM 1699 CB MET B 583 -7.537 -0.847 -7.684 1.00 0.02 C ATOM 1700 CG MET B 583 -6.472 0.231 -7.528 1.00 1.14 C ATOM 1701 SD MET B 583 -6.182 1.162 -9.048 1.00 1.87 S ATOM 1702 CE MET B 583 -5.083 0.063 -9.938 1.00 2.58 C ATOM 0 H MET B 583 -9.036 -2.688 -8.386 1.00 0.00 H new ATOM 0 HA MET B 583 -6.467 -1.906 -9.203 1.00 0.00 H new ATOM 0 HB2 MET B 583 -8.341 -0.462 -8.312 1.00 0.02 H new ATOM 0 HB3 MET B 583 -7.970 -1.061 -6.707 1.00 0.02 H new ATOM 0 HG2 MET B 583 -6.773 0.920 -6.739 1.00 1.14 H new ATOM 0 HG3 MET B 583 -5.538 -0.232 -7.208 1.00 1.14 H new ATOM 0 HE1 MET B 583 -4.278 0.642 -10.391 1.00 2.58 H new ATOM 0 HE2 MET B 583 -4.661 -0.667 -9.247 1.00 2.58 H new ATOM 0 HE3 MET B 583 -5.640 -0.456 -10.718 1.00 2.58 H new ATOM 1712 N ALA B 584 -6.622 -3.418 -6.266 1.00 0.00 N ATOM 1713 CA ALA B 584 -5.815 -4.058 -5.234 1.00 0.00 C ATOM 1714 C ALA B 584 -4.913 -5.144 -5.814 1.00 0.00 C ATOM 1715 O ALA B 584 -3.734 -5.231 -5.460 1.00 0.00 O ATOM 1716 CB ALA B 584 -6.713 -4.644 -4.153 1.00 0.03 C ATOM 0 H ALA B 584 -7.628 -3.458 -6.101 1.00 0.00 H new ATOM 0 HA ALA B 584 -5.173 -3.294 -4.795 1.00 0.00 H new ATOM 0 HB1 ALA B 584 -6.099 -5.119 -3.388 1.00 0.03 H new ATOM 0 HB2 ALA B 584 -7.305 -3.848 -3.701 1.00 0.03 H new ATOM 0 HB3 ALA B 584 -7.379 -5.385 -4.595 1.00 0.03 H new ATOM 1722 N CYS B 585 -5.454 -5.953 -6.719 1.00 0.00 N ATOM 1723 CA CYS B 585 -4.675 -7.046 -7.273 1.00 0.00 C ATOM 1724 C CYS B 585 -3.637 -6.556 -8.267 1.00 0.00 C ATOM 1725 O CYS B 585 -2.511 -7.049 -8.286 1.00 0.00 O ATOM 1726 CB CYS B 585 -5.597 -8.063 -7.947 1.00 0.01 C ATOM 1727 SG CYS B 585 -6.810 -8.809 -6.833 1.00 1.50 S ATOM 0 H CYS B 585 -6.406 -5.874 -7.076 1.00 0.00 H new ATOM 0 HA CYS B 585 -4.147 -7.521 -6.446 1.00 0.00 H new ATOM 0 HB2 CYS B 585 -6.124 -7.573 -8.766 1.00 0.01 H new ATOM 0 HB3 CYS B 585 -4.989 -8.853 -8.387 1.00 0.01 H new ATOM 0 HG CYS B 585 -7.767 -7.960 -6.602 1.00 1.50 H new ATOM 1733 N ASP B 586 -4.027 -5.592 -9.100 1.00 0.00 N ATOM 1734 CA ASP B 586 -3.141 -5.025 -10.109 1.00 0.00 C ATOM 1735 C ASP B 586 -1.896 -4.397 -9.488 1.00 0.00 C ATOM 1736 O ASP B 586 -0.784 -4.635 -9.950 1.00 0.00 O ATOM 1737 CB ASP B 586 -3.884 -3.984 -10.948 1.00 0.01 C ATOM 1738 CG ASP B 586 -4.638 -4.606 -12.106 1.00 0.98 C ATOM 1739 OD1 ASP B 586 -4.029 -4.792 -13.180 1.00 0.87 O ATOM 1740 OD2 ASP B 586 -5.839 -4.909 -11.941 1.00 1.98 O ATOM 0 H ASP B 586 -4.962 -5.185 -9.093 1.00 0.00 H new ATOM 0 HA ASP B 586 -2.817 -5.844 -10.751 1.00 0.00 H new ATOM 0 HB2 ASP B 586 -4.584 -3.441 -10.312 1.00 0.01 H new ATOM 0 HB3 ASP B 586 -3.171 -3.255 -11.332 1.00 0.01 H new ATOM 1745 N THR B 587 -2.104 -3.607 -8.433 1.00 0.00 N ATOM 1746 CA THR B 587 -1.033 -3.003 -7.668 1.00 0.00 C ATOM 1747 C THR B 587 -0.170 -4.073 -7.030 1.00 0.00 C ATOM 1748 O THR B 587 1.061 -3.979 -7.012 1.00 0.00 O ATOM 1749 CB THR B 587 -1.579 -2.071 -6.570 1.00 0.03 C ATOM 1750 OG1 THR B 587 -2.376 -1.036 -7.157 1.00 1.24 O ATOM 1751 CG2 THR B 587 -0.444 -1.446 -5.773 1.00 1.30 C ATOM 0 H THR B 587 -3.035 -3.371 -8.089 1.00 0.00 H new ATOM 0 HA THR B 587 -0.434 -2.411 -8.360 1.00 0.00 H new ATOM 0 HB THR B 587 -2.193 -2.667 -5.895 1.00 0.03 H new ATOM 0 HG1 THR B 587 -3.267 -1.387 -7.365 1.00 1.24 H new ATOM 0 HG21 THR B 587 -0.856 -0.792 -5.004 1.00 1.30 H new ATOM 0 HG22 THR B 587 0.146 -2.232 -5.303 1.00 1.30 H new ATOM 0 HG23 THR B 587 0.192 -0.865 -6.440 1.00 1.30 H new ATOM 1759 N PHE B 588 -0.814 -5.108 -6.514 1.00 0.00 N ATOM 1760 CA PHE B 588 -0.096 -6.177 -5.829 1.00 0.00 C ATOM 1761 C PHE B 588 0.882 -6.873 -6.766 1.00 0.00 C ATOM 1762 O PHE B 588 1.940 -7.342 -6.346 1.00 0.00 O ATOM 1763 CB PHE B 588 -1.085 -7.198 -5.263 1.00 0.02 C ATOM 1764 CG PHE B 588 -0.424 -8.333 -4.533 1.00 0.16 C ATOM 1765 CD1 PHE B 588 0.008 -8.174 -3.228 1.00 0.40 C ATOM 1766 CD2 PHE B 588 -0.231 -9.556 -5.156 1.00 0.45 C ATOM 1767 CE1 PHE B 588 0.620 -9.215 -2.555 1.00 0.49 C ATOM 1768 CE2 PHE B 588 0.380 -10.600 -4.489 1.00 0.51 C ATOM 1769 CZ PHE B 588 0.806 -10.429 -3.186 1.00 0.53 C ATOM 0 H PHE B 588 -1.826 -5.233 -6.555 1.00 0.00 H new ATOM 0 HA PHE B 588 0.471 -5.730 -5.012 1.00 0.00 H new ATOM 0 HB2 PHE B 588 -1.770 -6.690 -4.584 1.00 0.02 H new ATOM 0 HB3 PHE B 588 -1.685 -7.602 -6.079 1.00 0.02 H new ATOM 0 HD1 PHE B 588 -0.134 -7.226 -2.730 1.00 0.40 H new ATOM 0 HD2 PHE B 588 -0.562 -9.694 -6.175 1.00 0.45 H new ATOM 0 HE1 PHE B 588 0.952 -9.079 -1.536 1.00 0.49 H new ATOM 0 HE2 PHE B 588 0.524 -11.548 -4.985 1.00 0.51 H new ATOM 0 HZ PHE B 588 1.284 -11.243 -2.662 1.00 0.53 H new ATOM 1779 N ILE B 589 0.546 -6.951 -8.044 1.00 0.00 N ATOM 1780 CA ILE B 589 1.425 -7.699 -8.903 1.00 0.00 C ATOM 1781 C ILE B 589 2.627 -6.843 -9.280 1.00 0.00 C ATOM 1782 O ILE B 589 3.743 -7.345 -9.373 1.00 0.00 O ATOM 1783 CB ILE B 589 0.719 -8.216 -10.180 1.00 0.03 C ATOM 1784 CG1 ILE B 589 1.661 -9.121 -10.982 1.00 1.34 C ATOM 1785 CG2 ILE B 589 0.230 -7.065 -11.044 1.00 1.31 C ATOM 1786 CD1 ILE B 589 2.062 -10.383 -10.249 1.00 1.97 C ATOM 0 H ILE B 589 -0.275 -6.533 -8.481 1.00 0.00 H new ATOM 0 HA ILE B 589 1.751 -8.577 -8.345 1.00 0.00 H new ATOM 0 HB ILE B 589 -0.150 -8.797 -9.871 1.00 0.03 H new ATOM 0 HG12 ILE B 589 1.177 -9.394 -11.920 1.00 1.34 H new ATOM 0 HG13 ILE B 589 2.559 -8.559 -11.239 1.00 1.34 H new ATOM 0 HG21 ILE B 589 -0.261 -7.461 -11.933 1.00 1.31 H new ATOM 0 HG22 ILE B 589 -0.478 -6.460 -10.477 1.00 1.31 H new ATOM 0 HG23 ILE B 589 1.078 -6.448 -11.342 1.00 1.31 H new ATOM 0 HD11 ILE B 589 2.728 -10.973 -10.878 1.00 1.97 H new ATOM 0 HD12 ILE B 589 2.575 -10.119 -9.324 1.00 1.97 H new ATOM 0 HD13 ILE B 589 1.172 -10.967 -10.016 1.00 1.97 H new ATOM 1798 N LYS B 590 2.394 -5.545 -9.461 1.00 0.00 N ATOM 1799 CA LYS B 590 3.471 -4.610 -9.741 1.00 0.00 C ATOM 1800 C LYS B 590 4.480 -4.704 -8.595 1.00 0.00 C ATOM 1801 O LYS B 590 5.668 -4.885 -8.812 1.00 0.00 O ATOM 1802 CB LYS B 590 2.936 -3.183 -9.875 1.00 0.01 C ATOM 1803 CG LYS B 590 1.953 -3.008 -11.020 1.00 0.99 C ATOM 1804 CD LYS B 590 1.432 -1.581 -11.093 1.00 1.52 C ATOM 1805 CE LYS B 590 0.452 -1.401 -12.240 1.00 2.04 C ATOM 1806 NZ LYS B 590 -0.730 -2.299 -12.110 1.00 2.62 N ATOM 0 H LYS B 590 1.467 -5.121 -9.418 1.00 0.00 H new ATOM 0 HA LYS B 590 3.949 -4.863 -10.688 1.00 0.00 H new ATOM 0 HB2 LYS B 590 2.450 -2.897 -8.942 1.00 0.01 H new ATOM 0 HB3 LYS B 590 3.774 -2.501 -10.019 1.00 0.01 H new ATOM 0 HG2 LYS B 590 2.438 -3.268 -11.961 1.00 0.99 H new ATOM 0 HG3 LYS B 590 1.117 -3.696 -10.892 1.00 0.99 H new ATOM 0 HD2 LYS B 590 0.944 -1.323 -10.153 1.00 1.52 H new ATOM 0 HD3 LYS B 590 2.269 -0.894 -11.217 1.00 1.52 H new ATOM 0 HE2 LYS B 590 0.118 -0.364 -12.272 1.00 2.04 H new ATOM 0 HE3 LYS B 590 0.958 -1.602 -13.184 1.00 2.04 H new ATOM 0 HZ1 LYS B 590 -1.600 -1.754 -12.274 1.00 2.62 H new ATOM 0 HZ2 LYS B 590 -0.663 -3.064 -12.811 1.00 2.62 H new ATOM 0 HZ3 LYS B 590 -0.753 -2.707 -11.154 1.00 2.62 H new ATOM 1820 N ILE B 591 3.973 -4.617 -7.374 1.00 0.00 N ATOM 1821 CA ILE B 591 4.791 -4.624 -6.165 1.00 0.00 C ATOM 1822 C ILE B 591 5.549 -5.936 -5.968 1.00 0.00 C ATOM 1823 O ILE B 591 6.730 -5.936 -5.631 1.00 0.00 O ATOM 1824 CB ILE B 591 3.941 -4.287 -4.912 1.00 0.04 C ATOM 1825 CG1 ILE B 591 4.830 -3.757 -3.788 1.00 1.27 C ATOM 1826 CG2 ILE B 591 3.141 -5.490 -4.436 1.00 1.28 C ATOM 1827 CD1 ILE B 591 4.047 -3.168 -2.634 1.00 1.96 C ATOM 0 H ILE B 591 2.973 -4.539 -7.190 1.00 0.00 H new ATOM 0 HA ILE B 591 5.541 -3.844 -6.298 1.00 0.00 H new ATOM 0 HB ILE B 591 3.231 -3.510 -5.195 1.00 0.04 H new ATOM 0 HG12 ILE B 591 5.457 -4.568 -3.417 1.00 1.27 H new ATOM 0 HG13 ILE B 591 5.498 -2.996 -4.191 1.00 1.27 H new ATOM 0 HG21 ILE B 591 2.558 -5.215 -3.557 1.00 1.28 H new ATOM 0 HG22 ILE B 591 2.469 -5.817 -5.229 1.00 1.28 H new ATOM 0 HG23 ILE B 591 3.822 -6.302 -4.180 1.00 1.28 H new ATOM 0 HD11 ILE B 591 4.738 -2.810 -1.871 1.00 1.96 H new ATOM 0 HD12 ILE B 591 3.440 -2.336 -2.993 1.00 1.96 H new ATOM 0 HD13 ILE B 591 3.398 -3.933 -2.207 1.00 1.96 H new ATOM 1839 N ALA B 592 4.878 -7.057 -6.187 1.00 0.00 N ATOM 1840 CA ALA B 592 5.545 -8.354 -6.071 1.00 0.00 C ATOM 1841 C ALA B 592 6.653 -8.529 -7.105 1.00 0.00 C ATOM 1842 O ALA B 592 7.695 -9.085 -6.797 1.00 0.00 O ATOM 1843 CB ALA B 592 4.528 -9.477 -6.198 1.00 0.00 C ATOM 0 H ALA B 592 3.891 -7.101 -6.441 1.00 0.00 H new ATOM 0 HA ALA B 592 6.012 -8.393 -5.087 1.00 0.00 H new ATOM 0 HB1 ALA B 592 5.034 -10.438 -6.110 1.00 0.00 H new ATOM 0 HB2 ALA B 592 3.784 -9.385 -5.407 1.00 0.00 H new ATOM 0 HB3 ALA B 592 4.035 -9.414 -7.168 1.00 0.00 H new ATOM 1849 N GLN B 593 6.438 -8.063 -8.333 1.00 0.00 N ATOM 1850 CA GLN B 593 7.525 -8.106 -9.311 1.00 0.00 C ATOM 1851 C GLN B 593 8.701 -7.236 -8.825 1.00 0.00 C ATOM 1852 O GLN B 593 9.755 -7.731 -8.459 1.00 0.00 O ATOM 1853 CB GLN B 593 7.039 -7.613 -10.677 1.00 0.01 C ATOM 1854 CG GLN B 593 5.993 -8.512 -11.316 1.00 1.09 C ATOM 1855 CD GLN B 593 5.517 -7.987 -12.658 1.00 1.64 C ATOM 1856 OE1 GLN B 593 5.502 -6.780 -12.896 1.00 2.36 O ATOM 1857 NE2 GLN B 593 5.125 -8.897 -13.543 1.00 2.26 N ATOM 0 H GLN B 593 5.560 -7.666 -8.667 1.00 0.00 H new ATOM 0 HA GLN B 593 7.860 -9.138 -9.415 1.00 0.00 H new ATOM 0 HB2 GLN B 593 6.624 -6.611 -10.565 1.00 0.01 H new ATOM 0 HB3 GLN B 593 7.894 -7.531 -11.349 1.00 0.01 H new ATOM 0 HG2 GLN B 593 6.408 -9.511 -11.447 1.00 1.09 H new ATOM 0 HG3 GLN B 593 5.140 -8.607 -10.644 1.00 1.09 H new ATOM 0 HE21 GLN B 593 5.154 -9.888 -13.303 1.00 2.26 H new ATOM 0 HE22 GLN B 593 4.795 -8.605 -14.463 1.00 2.26 H new ATOM 1866 N LYS B 594 8.487 -5.926 -8.837 1.00 0.00 N ATOM 1867 CA LYS B 594 9.502 -4.951 -8.485 1.00 0.00 C ATOM 1868 C LYS B 594 10.150 -5.101 -7.090 1.00 0.00 C ATOM 1869 O LYS B 594 11.268 -4.648 -6.895 1.00 0.00 O ATOM 1870 CB LYS B 594 8.919 -3.542 -8.620 1.00 0.01 C ATOM 1871 CG LYS B 594 8.828 -3.052 -10.058 1.00 0.52 C ATOM 1872 CD LYS B 594 7.829 -3.864 -10.871 1.00 1.21 C ATOM 1873 CE LYS B 594 7.827 -3.446 -12.331 1.00 1.59 C ATOM 1874 NZ LYS B 594 6.900 -4.282 -13.144 1.00 2.19 N ATOM 0 H LYS B 594 7.592 -5.510 -9.095 1.00 0.00 H new ATOM 0 HA LYS B 594 10.314 -5.137 -9.188 1.00 0.00 H new ATOM 0 HB2 LYS B 594 7.923 -3.526 -8.177 1.00 0.01 H new ATOM 0 HB3 LYS B 594 9.534 -2.848 -8.047 1.00 0.01 H new ATOM 0 HG2 LYS B 594 8.535 -2.002 -10.066 1.00 0.52 H new ATOM 0 HG3 LYS B 594 9.811 -3.112 -10.525 1.00 0.52 H new ATOM 0 HD2 LYS B 594 8.073 -4.924 -10.795 1.00 1.21 H new ATOM 0 HD3 LYS B 594 6.830 -3.736 -10.454 1.00 1.21 H new ATOM 0 HE2 LYS B 594 7.535 -2.399 -12.409 1.00 1.59 H new ATOM 0 HE3 LYS B 594 8.837 -3.526 -12.734 1.00 1.59 H new ATOM 0 HZ1 LYS B 594 7.358 -4.534 -14.043 1.00 2.19 H new ATOM 0 HZ2 LYS B 594 6.665 -5.149 -12.620 1.00 2.19 H new ATOM 0 HZ3 LYS B 594 6.029 -3.747 -13.337 1.00 2.19 H new ATOM 1888 N CYS B 595 9.477 -5.739 -6.134 1.00 0.00 N ATOM 1889 CA CYS B 595 10.052 -5.877 -4.792 1.00 0.00 C ATOM 1890 C CYS B 595 10.209 -7.317 -4.325 1.00 0.00 C ATOM 1891 O CYS B 595 10.280 -7.597 -3.129 1.00 0.00 O ATOM 1892 CB CYS B 595 9.223 -5.086 -3.775 1.00 0.01 C ATOM 1893 SG CYS B 595 7.846 -6.002 -3.049 1.00 1.26 S ATOM 0 H CYS B 595 8.556 -6.160 -6.255 1.00 0.00 H new ATOM 0 HA CYS B 595 11.061 -5.469 -4.859 1.00 0.00 H new ATOM 0 HB2 CYS B 595 9.881 -4.750 -2.974 1.00 0.01 H new ATOM 0 HB3 CYS B 595 8.831 -4.193 -4.262 1.00 0.01 H new ATOM 0 HG CYS B 595 7.015 -6.351 -3.986 1.00 1.26 H new ATOM 1899 N ARG B 596 10.322 -8.219 -5.288 1.00 0.00 N ATOM 1900 CA ARG B 596 10.318 -9.659 -5.026 1.00 0.00 C ATOM 1901 C ARG B 596 11.257 -10.140 -3.902 1.00 0.00 C ATOM 1902 O ARG B 596 10.905 -11.049 -3.147 1.00 0.00 O ATOM 1903 CB ARG B 596 10.663 -10.398 -6.321 1.00 0.01 C ATOM 1904 CG ARG B 596 10.626 -11.912 -6.195 1.00 1.21 C ATOM 1905 CD ARG B 596 10.862 -12.586 -7.537 1.00 1.42 C ATOM 1906 NE ARG B 596 10.912 -14.042 -7.418 1.00 2.09 N ATOM 1907 CZ ARG B 596 10.887 -14.870 -8.458 1.00 2.60 C ATOM 1908 NH1 ARG B 596 10.812 -14.390 -9.694 1.00 2.53 N ATOM 1909 NH2 ARG B 596 10.936 -16.182 -8.264 1.00 3.58 N ATOM 0 H ARG B 596 10.419 -7.978 -6.274 1.00 0.00 H new ATOM 0 HA ARG B 596 9.313 -9.886 -4.671 1.00 0.00 H new ATOM 0 HB2 ARG B 596 9.965 -10.091 -7.100 1.00 0.01 H new ATOM 0 HB3 ARG B 596 11.658 -10.095 -6.647 1.00 0.01 H new ATOM 0 HG2 ARG B 596 11.385 -12.238 -5.484 1.00 1.21 H new ATOM 0 HG3 ARG B 596 9.660 -12.222 -5.795 1.00 1.21 H new ATOM 0 HD2 ARG B 596 10.067 -12.306 -8.228 1.00 1.42 H new ATOM 0 HD3 ARG B 596 11.797 -12.225 -7.964 1.00 1.42 H new ATOM 0 HE ARG B 596 10.969 -14.446 -6.483 1.00 2.09 H new ATOM 0 HH11 ARG B 596 10.773 -13.382 -9.848 1.00 2.53 H new ATOM 0 HH12 ARG B 596 10.793 -15.029 -10.489 1.00 2.53 H new ATOM 0 HH21 ARG B 596 10.993 -16.556 -7.317 1.00 3.58 H new ATOM 0 HH22 ARG B 596 10.917 -16.817 -9.062 1.00 3.58 H new ATOM 1923 N ARG B 597 12.452 -9.558 -3.790 1.00 0.00 N ATOM 1924 CA ARG B 597 13.429 -10.038 -2.801 1.00 0.00 C ATOM 1925 C ARG B 597 13.025 -9.745 -1.374 1.00 0.00 C ATOM 1926 O ARG B 597 13.342 -10.504 -0.456 1.00 0.00 O ATOM 1927 CB ARG B 597 14.798 -9.414 -3.080 1.00 0.01 C ATOM 1928 CG ARG B 597 15.333 -9.706 -4.476 1.00 1.27 C ATOM 1929 CD ARG B 597 15.692 -11.173 -4.645 1.00 1.71 C ATOM 1930 NE ARG B 597 16.224 -11.455 -5.976 1.00 2.17 N ATOM 1931 CZ ARG B 597 16.289 -12.676 -6.503 1.00 2.92 C ATOM 1932 NH1 ARG B 597 15.857 -13.724 -5.814 1.00 3.29 N ATOM 1933 NH2 ARG B 597 16.785 -12.848 -7.721 1.00 3.74 N ATOM 0 H ARG B 597 12.766 -8.770 -4.357 1.00 0.00 H new ATOM 0 HA ARG B 597 13.472 -11.122 -2.905 1.00 0.00 H new ATOM 0 HB2 ARG B 597 14.729 -8.334 -2.946 1.00 0.01 H new ATOM 0 HB3 ARG B 597 15.512 -9.782 -2.343 1.00 0.01 H new ATOM 0 HG2 ARG B 597 14.585 -9.427 -5.218 1.00 1.27 H new ATOM 0 HG3 ARG B 597 16.214 -9.092 -4.664 1.00 1.27 H new ATOM 0 HD2 ARG B 597 16.428 -11.455 -3.893 1.00 1.71 H new ATOM 0 HD3 ARG B 597 14.807 -11.785 -4.471 1.00 1.71 H new ATOM 0 HE ARG B 597 16.565 -10.672 -6.533 1.00 2.17 H new ATOM 0 HH11 ARG B 597 15.474 -13.596 -4.878 1.00 3.29 H new ATOM 0 HH12 ARG B 597 15.908 -14.658 -6.221 1.00 3.29 H new ATOM 0 HH21 ARG B 597 17.117 -12.045 -8.255 1.00 3.74 H new ATOM 0 HH22 ARG B 597 16.834 -13.784 -8.124 1.00 3.74 H new ATOM 1947 N HIS B 598 12.336 -8.627 -1.192 1.00 0.00 N ATOM 1948 CA HIS B 598 11.990 -8.130 0.136 1.00 0.00 C ATOM 1949 C HIS B 598 10.947 -8.999 0.816 1.00 0.00 C ATOM 1950 O HIS B 598 10.598 -8.763 1.981 1.00 0.00 O ATOM 1951 CB HIS B 598 11.500 -6.686 0.043 1.00 0.02 C ATOM 1952 CG HIS B 598 12.551 -5.742 -0.449 1.00 0.83 C ATOM 1953 ND1 HIS B 598 13.407 -5.064 0.394 1.00 1.71 N ATOM 1954 CD2 HIS B 598 12.894 -5.374 -1.706 1.00 1.62 C ATOM 1955 CE1 HIS B 598 14.229 -4.319 -0.322 1.00 2.14 C ATOM 1956 NE2 HIS B 598 13.940 -4.491 -1.599 1.00 2.04 N ATOM 0 H HIS B 598 12.002 -8.040 -1.956 1.00 0.00 H new ATOM 0 HA HIS B 598 12.891 -8.168 0.748 1.00 0.00 H new ATOM 0 HB2 HIS B 598 10.639 -6.643 -0.625 1.00 0.02 H new ATOM 0 HB3 HIS B 598 11.158 -6.360 1.025 1.00 0.02 H new ATOM 0 HD1 HIS B 598 13.405 -5.128 1.412 1.00 1.71 H new ATOM 0 HD2 HIS B 598 12.431 -5.712 -2.622 1.00 1.62 H new ATOM 0 HE1 HIS B 598 15.005 -3.678 0.070 1.00 2.14 H new ATOM 1965 N PHE B 599 10.462 -10.003 0.091 1.00 0.00 N ATOM 1966 CA PHE B 599 9.401 -10.869 0.597 1.00 0.00 C ATOM 1967 C PHE B 599 9.969 -12.221 0.986 1.00 0.00 C ATOM 1968 O PHE B 599 9.341 -12.989 1.718 1.00 0.00 O ATOM 1969 CB PHE B 599 8.299 -11.052 -0.451 1.00 0.06 C ATOM 1970 CG PHE B 599 7.381 -9.867 -0.607 1.00 1.01 C ATOM 1971 CD1 PHE B 599 7.076 -9.048 0.472 1.00 1.94 C ATOM 1972 CD2 PHE B 599 6.817 -9.577 -1.839 1.00 1.40 C ATOM 1973 CE1 PHE B 599 6.228 -7.967 0.323 1.00 2.87 C ATOM 1974 CE2 PHE B 599 5.965 -8.499 -1.993 1.00 2.28 C ATOM 1975 CZ PHE B 599 5.673 -7.693 -0.910 1.00 2.95 C ATOM 0 H PHE B 599 10.786 -10.237 -0.847 1.00 0.00 H new ATOM 0 HA PHE B 599 8.967 -10.394 1.477 1.00 0.00 H new ATOM 0 HB2 PHE B 599 8.763 -11.265 -1.414 1.00 0.06 H new ATOM 0 HB3 PHE B 599 7.703 -11.925 -0.184 1.00 0.06 H new ATOM 0 HD1 PHE B 599 7.507 -9.258 1.440 1.00 1.94 H new ATOM 0 HD2 PHE B 599 7.046 -10.201 -2.690 1.00 1.40 H new ATOM 0 HE1 PHE B 599 6.000 -7.338 1.171 1.00 2.87 H new ATOM 0 HE2 PHE B 599 5.529 -8.288 -2.958 1.00 2.28 H new ATOM 0 HZ PHE B 599 5.010 -6.848 -1.028 1.00 2.95 H new ATOM 1985 N VAL B 600 11.173 -12.490 0.491 1.00 0.00 N ATOM 1986 CA VAL B 600 11.844 -13.767 0.675 1.00 0.00 C ATOM 1987 C VAL B 600 12.990 -13.656 1.697 1.00 0.00 C ATOM 1988 O VAL B 600 13.376 -14.626 2.344 1.00 0.00 O ATOM 1989 CB VAL B 600 12.399 -14.317 -0.653 1.00 0.01 C ATOM 1990 CG1 VAL B 600 11.273 -14.554 -1.646 1.00 1.42 C ATOM 1991 CG2 VAL B 600 13.440 -13.374 -1.236 1.00 1.42 C ATOM 0 H VAL B 600 11.714 -11.819 -0.054 1.00 0.00 H new ATOM 0 HA VAL B 600 11.093 -14.460 1.054 1.00 0.00 H new ATOM 0 HB VAL B 600 12.883 -15.272 -0.450 1.00 0.01 H new ATOM 0 HG11 VAL B 600 11.685 -14.942 -2.577 1.00 1.42 H new ATOM 0 HG12 VAL B 600 10.569 -15.276 -1.232 1.00 1.42 H new ATOM 0 HG13 VAL B 600 10.757 -13.614 -1.842 1.00 1.42 H new ATOM 0 HG21 VAL B 600 13.817 -13.783 -2.173 1.00 1.42 H new ATOM 0 HG22 VAL B 600 12.986 -12.401 -1.422 1.00 1.42 H new ATOM 0 HG23 VAL B 600 14.264 -13.261 -0.531 1.00 1.42 H new ATOM 2001 N GLN B 601 13.523 -12.455 1.865 1.00 0.00 N ATOM 2002 CA GLN B 601 14.550 -12.265 2.866 1.00 0.00 C ATOM 2003 C GLN B 601 13.993 -11.604 4.128 1.00 0.00 C ATOM 2004 O GLN B 601 13.165 -10.690 4.050 1.00 0.00 O ATOM 2005 CB GLN B 601 15.689 -11.417 2.291 1.00 0.01 C ATOM 2006 CG GLN B 601 16.863 -11.245 3.241 1.00 1.31 C ATOM 2007 CD GLN B 601 18.006 -10.455 2.629 1.00 1.73 C ATOM 2008 OE1 GLN B 601 19.173 -10.677 2.958 1.00 2.34 O ATOM 2009 NE2 GLN B 601 17.679 -9.526 1.738 1.00 2.31 N ATOM 0 H GLN B 601 13.268 -11.621 1.335 1.00 0.00 H new ATOM 0 HA GLN B 601 14.930 -13.248 3.145 1.00 0.00 H new ATOM 0 HB2 GLN B 601 16.044 -11.878 1.369 1.00 0.01 H new ATOM 0 HB3 GLN B 601 15.300 -10.434 2.026 1.00 0.01 H new ATOM 0 HG2 GLN B 601 16.522 -10.740 4.145 1.00 1.31 H new ATOM 0 HG3 GLN B 601 17.227 -12.227 3.543 1.00 1.31 H new ATOM 0 HE21 GLN B 601 16.700 -9.375 1.494 1.00 2.31 H new ATOM 0 HE22 GLN B 601 18.407 -8.964 1.297 1.00 2.31 H new ATOM 2018 N VAL B 602 14.445 -12.078 5.289 1.00 0.00 N ATOM 2019 CA VAL B 602 14.008 -11.532 6.566 1.00 0.00 C ATOM 2020 C VAL B 602 14.395 -10.072 6.625 1.00 0.00 C ATOM 2021 O VAL B 602 15.569 -9.735 6.461 1.00 0.00 O ATOM 2022 CB VAL B 602 14.628 -12.296 7.756 1.00 0.01 C ATOM 2023 CG1 VAL B 602 16.144 -12.348 7.637 1.00 1.37 C ATOM 2024 CG2 VAL B 602 14.209 -11.666 9.076 1.00 1.36 C ATOM 0 H VAL B 602 15.116 -12.842 5.367 1.00 0.00 H new ATOM 0 HA VAL B 602 12.926 -11.641 6.642 1.00 0.00 H new ATOM 0 HB VAL B 602 14.254 -13.320 7.734 1.00 0.01 H new ATOM 0 HG11 VAL B 602 16.557 -12.891 8.487 1.00 1.37 H new ATOM 0 HG12 VAL B 602 16.419 -12.856 6.713 1.00 1.37 H new ATOM 0 HG13 VAL B 602 16.543 -11.334 7.626 1.00 1.37 H new ATOM 0 HG21 VAL B 602 14.657 -12.219 9.902 1.00 1.36 H new ATOM 0 HG22 VAL B 602 14.547 -10.630 9.108 1.00 1.36 H new ATOM 0 HG23 VAL B 602 13.123 -11.697 9.165 1.00 1.36 H new ATOM 2034 N GLN B 603 13.400 -9.208 6.830 1.00 0.00 N ATOM 2035 CA GLN B 603 13.616 -7.762 6.859 1.00 0.00 C ATOM 2036 C GLN B 603 13.858 -7.299 8.289 1.00 0.00 C ATOM 2037 O GLN B 603 13.638 -8.053 9.227 1.00 0.00 O ATOM 2038 CB GLN B 603 12.405 -7.024 6.278 1.00 0.02 C ATOM 2039 CG GLN B 603 11.838 -7.664 5.019 1.00 1.20 C ATOM 2040 CD GLN B 603 10.859 -8.785 5.318 1.00 1.93 C ATOM 2041 OE1 GLN B 603 10.759 -9.753 4.566 1.00 2.58 O ATOM 2042 NE2 GLN B 603 10.121 -8.654 6.415 1.00 2.68 N ATOM 0 H GLN B 603 12.431 -9.488 6.979 1.00 0.00 H new ATOM 0 HA GLN B 603 14.492 -7.534 6.252 1.00 0.00 H new ATOM 0 HB2 GLN B 603 11.622 -6.979 7.035 1.00 0.02 H new ATOM 0 HB3 GLN B 603 12.691 -5.996 6.054 1.00 0.02 H new ATOM 0 HG2 GLN B 603 11.338 -6.901 4.423 1.00 1.20 H new ATOM 0 HG3 GLN B 603 12.657 -8.055 4.415 1.00 1.20 H new ATOM 0 HE21 GLN B 603 10.235 -7.835 7.012 1.00 2.68 H new ATOM 0 HE22 GLN B 603 9.440 -9.373 6.660 1.00 2.68 H new ATOM 2051 N VAL B 604 14.324 -6.066 8.465 1.00 0.00 N ATOM 2052 CA VAL B 604 14.675 -5.602 9.809 1.00 0.00 C ATOM 2053 C VAL B 604 13.454 -5.353 10.693 1.00 0.00 C ATOM 2054 O VAL B 604 12.528 -4.651 10.308 1.00 0.00 O ATOM 2055 CB VAL B 604 15.509 -4.308 9.747 1.00 0.01 C ATOM 2056 CG1 VAL B 604 15.997 -3.914 11.132 1.00 1.27 C ATOM 2057 CG2 VAL B 604 16.678 -4.470 8.788 1.00 1.27 C ATOM 0 H VAL B 604 14.466 -5.385 7.719 1.00 0.00 H new ATOM 0 HA VAL B 604 15.259 -6.407 10.254 1.00 0.00 H new ATOM 0 HB VAL B 604 14.870 -3.508 9.374 1.00 0.01 H new ATOM 0 HG11 VAL B 604 16.584 -2.998 11.064 1.00 1.27 H new ATOM 0 HG12 VAL B 604 15.141 -3.749 11.786 1.00 1.27 H new ATOM 0 HG13 VAL B 604 16.617 -4.712 11.540 1.00 1.27 H new ATOM 0 HG21 VAL B 604 17.255 -3.546 8.758 1.00 1.27 H new ATOM 0 HG22 VAL B 604 17.317 -5.285 9.127 1.00 1.27 H new ATOM 0 HG23 VAL B 604 16.302 -4.695 7.790 1.00 1.27 H new ATOM 2067 N GLY B 605 13.474 -5.933 11.883 1.00 0.00 N ATOM 2068 CA GLY B 605 12.338 -5.852 12.773 1.00 0.00 C ATOM 2069 C GLY B 605 11.399 -7.022 12.602 1.00 0.00 C ATOM 2070 O GLY B 605 10.309 -7.038 13.158 1.00 0.00 O ATOM 0 H GLY B 605 14.265 -6.463 12.250 1.00 0.00 H new ATOM 0 HA2 GLY B 605 12.688 -5.816 13.805 1.00 0.00 H new ATOM 0 HA3 GLY B 605 11.798 -4.924 12.587 1.00 0.00 H new ATOM 2074 N GLU B 606 11.788 -8.000 11.795 1.00 0.00 N ATOM 2075 CA GLU B 606 10.968 -9.197 11.667 1.00 0.00 C ATOM 2076 C GLU B 606 11.816 -10.449 11.812 1.00 0.00 C ATOM 2077 O GLU B 606 13.029 -10.433 11.609 1.00 0.00 O ATOM 2078 CB GLU B 606 10.255 -9.201 10.312 1.00 0.02 C ATOM 2079 CG GLU B 606 9.231 -10.315 10.156 1.00 1.16 C ATOM 2080 CD GLU B 606 8.068 -10.181 11.121 1.00 1.64 C ATOM 2081 OE1 GLU B 606 8.167 -10.709 12.249 1.00 2.51 O ATOM 2082 OE2 GLU B 606 7.058 -9.548 10.748 1.00 1.84 O ATOM 0 H GLU B 606 12.640 -7.992 11.234 1.00 0.00 H new ATOM 0 HA GLU B 606 10.224 -9.191 12.463 1.00 0.00 H new ATOM 0 HB2 GLU B 606 9.757 -8.241 10.172 1.00 0.02 H new ATOM 0 HB3 GLU B 606 11.000 -9.292 9.521 1.00 0.02 H new ATOM 0 HG2 GLU B 606 8.852 -10.314 9.134 1.00 1.16 H new ATOM 0 HG3 GLU B 606 9.720 -11.277 10.314 1.00 1.16 H new ATOM 2089 N VAL B 607 11.152 -11.537 12.162 1.00 0.00 N ATOM 2090 CA VAL B 607 11.814 -12.797 12.445 1.00 0.00 C ATOM 2091 C VAL B 607 11.680 -13.796 11.303 1.00 0.00 C ATOM 2092 O VAL B 607 12.486 -14.712 11.186 1.00 0.00 O ATOM 2093 CB VAL B 607 11.260 -13.435 13.738 1.00 0.01 C ATOM 2094 CG1 VAL B 607 12.035 -14.694 14.099 1.00 1.40 C ATOM 2095 CG2 VAL B 607 11.298 -12.433 14.884 1.00 1.40 C ATOM 0 H VAL B 607 10.137 -11.571 12.258 1.00 0.00 H new ATOM 0 HA VAL B 607 12.871 -12.562 12.571 1.00 0.00 H new ATOM 0 HB VAL B 607 10.223 -13.718 13.561 1.00 0.01 H new ATOM 0 HG11 VAL B 607 11.625 -15.124 15.013 1.00 1.40 H new ATOM 0 HG12 VAL B 607 11.951 -15.418 13.288 1.00 1.40 H new ATOM 0 HG13 VAL B 607 13.084 -14.443 14.255 1.00 1.40 H new ATOM 0 HG21 VAL B 607 10.904 -12.898 15.788 1.00 1.40 H new ATOM 0 HG22 VAL B 607 12.327 -12.117 15.057 1.00 1.40 H new ATOM 0 HG23 VAL B 607 10.690 -11.565 14.629 1.00 1.40 H new ATOM 2105 N MET B 608 10.663 -13.622 10.463 1.00 0.00 N ATOM 2106 CA MET B 608 10.375 -14.596 9.410 1.00 0.00 C ATOM 2107 C MET B 608 10.042 -13.937 8.078 1.00 0.00 C ATOM 2108 O MET B 608 9.351 -12.928 8.029 1.00 0.00 O ATOM 2109 CB MET B 608 9.218 -15.496 9.844 1.00 0.01 C ATOM 2110 CG MET B 608 7.938 -14.736 10.154 1.00 1.32 C ATOM 2111 SD MET B 608 6.619 -15.809 10.753 1.00 2.02 S ATOM 2112 CE MET B 608 7.344 -16.426 12.271 1.00 2.68 C ATOM 0 H MET B 608 10.029 -12.824 10.489 1.00 0.00 H new ATOM 0 HA MET B 608 11.278 -15.187 9.260 1.00 0.00 H new ATOM 0 HB2 MET B 608 9.018 -16.222 9.056 1.00 0.01 H new ATOM 0 HB3 MET B 608 9.519 -16.060 10.727 1.00 0.01 H new ATOM 0 HG2 MET B 608 8.147 -13.971 10.902 1.00 1.32 H new ATOM 0 HG3 MET B 608 7.601 -14.219 9.256 1.00 1.32 H new ATOM 0 HE1 MET B 608 6.553 -16.753 12.945 1.00 2.68 H new ATOM 0 HE2 MET B 608 7.999 -17.267 12.046 1.00 2.68 H new ATOM 0 HE3 MET B 608 7.922 -15.633 12.747 1.00 2.68 H new ATOM 2122 N PRO B 609 10.502 -14.539 6.984 1.00 0.00 N ATOM 2123 CA PRO B 609 10.222 -13.995 5.651 1.00 0.00 C ATOM 2124 C PRO B 609 8.719 -13.742 5.433 1.00 0.00 C ATOM 2125 O PRO B 609 7.905 -14.633 5.704 1.00 0.00 O ATOM 2126 CB PRO B 609 10.732 -15.087 4.696 1.00 0.01 C ATOM 2127 CG PRO B 609 10.965 -16.293 5.548 1.00 0.43 C ATOM 2128 CD PRO B 609 11.288 -15.778 6.919 1.00 0.02 C ATOM 0 HA PRO B 609 10.701 -13.028 5.497 1.00 0.00 H new ATOM 0 HB2 PRO B 609 10.002 -15.295 3.914 1.00 0.01 H new ATOM 0 HB3 PRO B 609 11.651 -14.775 4.199 1.00 0.01 H new ATOM 0 HG2 PRO B 609 10.082 -16.931 5.570 1.00 0.43 H new ATOM 0 HG3 PRO B 609 11.784 -16.895 5.155 1.00 0.43 H new ATOM 0 HD2 PRO B 609 10.998 -16.484 7.697 1.00 0.02 H new ATOM 0 HD3 PRO B 609 12.355 -15.589 7.041 1.00 0.02 H new ATOM 2136 N PHE B 610 8.362 -12.550 4.949 1.00 0.00 N ATOM 2137 CA PHE B 610 6.959 -12.148 4.818 1.00 0.00 C ATOM 2138 C PHE B 610 6.160 -13.136 3.948 1.00 0.00 C ATOM 2139 O PHE B 610 4.971 -13.345 4.185 1.00 0.00 O ATOM 2140 CB PHE B 610 6.877 -10.738 4.226 1.00 0.01 C ATOM 2141 CG PHE B 610 5.535 -10.079 4.393 1.00 0.79 C ATOM 2142 CD1 PHE B 610 4.981 -9.906 5.653 1.00 0.80 C ATOM 2143 CD2 PHE B 610 4.831 -9.626 3.289 1.00 1.65 C ATOM 2144 CE1 PHE B 610 3.750 -9.294 5.806 1.00 1.48 C ATOM 2145 CE2 PHE B 610 3.602 -9.012 3.437 1.00 2.37 C ATOM 2146 CZ PHE B 610 3.061 -8.847 4.696 1.00 2.25 C ATOM 0 H PHE B 610 9.029 -11.843 4.640 1.00 0.00 H new ATOM 0 HA PHE B 610 6.514 -12.154 5.813 1.00 0.00 H new ATOM 0 HB2 PHE B 610 7.637 -10.114 4.695 1.00 0.01 H new ATOM 0 HB3 PHE B 610 7.116 -10.787 3.164 1.00 0.01 H new ATOM 0 HD1 PHE B 610 5.517 -10.253 6.524 1.00 0.80 H new ATOM 0 HD2 PHE B 610 5.248 -9.754 2.301 1.00 1.65 H new ATOM 0 HE1 PHE B 610 3.328 -9.166 6.792 1.00 1.48 H new ATOM 0 HE2 PHE B 610 3.065 -8.661 2.568 1.00 2.37 H new ATOM 0 HZ PHE B 610 2.100 -8.369 4.813 1.00 2.25 H new ATOM 2156 N ILE B 611 6.822 -13.748 2.965 1.00 0.00 N ATOM 2157 CA ILE B 611 6.180 -14.734 2.098 1.00 0.00 C ATOM 2158 C ILE B 611 5.443 -15.793 2.936 1.00 0.00 C ATOM 2159 O ILE B 611 4.299 -16.152 2.638 1.00 0.00 O ATOM 2160 CB ILE B 611 7.187 -15.447 1.171 1.00 0.02 C ATOM 2161 CG1 ILE B 611 8.443 -15.851 1.950 1.00 1.20 C ATOM 2162 CG2 ILE B 611 7.535 -14.560 -0.016 1.00 1.20 C ATOM 2163 CD1 ILE B 611 9.439 -16.647 1.131 1.00 1.84 C ATOM 0 H ILE B 611 7.804 -13.577 2.750 1.00 0.00 H new ATOM 0 HA ILE B 611 5.472 -14.184 1.477 1.00 0.00 H new ATOM 0 HB ILE B 611 6.726 -16.357 0.787 1.00 0.02 H new ATOM 0 HG12 ILE B 611 8.931 -14.952 2.326 1.00 1.20 H new ATOM 0 HG13 ILE B 611 8.147 -16.440 2.818 1.00 1.20 H new ATOM 0 HG21 ILE B 611 8.246 -15.077 -0.660 1.00 1.20 H new ATOM 0 HG22 ILE B 611 6.630 -14.336 -0.581 1.00 1.20 H new ATOM 0 HG23 ILE B 611 7.979 -13.631 0.342 1.00 1.20 H new ATOM 0 HD11 ILE B 611 10.301 -16.897 1.749 1.00 1.84 H new ATOM 0 HD12 ILE B 611 8.968 -17.564 0.777 1.00 1.84 H new ATOM 0 HD13 ILE B 611 9.765 -16.053 0.277 1.00 1.84 H new ATOM 2175 N ASP B 612 6.113 -16.268 3.984 1.00 0.00 N ATOM 2176 CA ASP B 612 5.565 -17.234 4.919 1.00 0.00 C ATOM 2177 C ASP B 612 4.186 -16.838 5.440 1.00 0.00 C ATOM 2178 O ASP B 612 3.240 -17.629 5.393 1.00 0.00 O ATOM 2179 CB ASP B 612 6.520 -17.426 6.098 1.00 0.01 C ATOM 2180 CG ASP B 612 6.009 -18.446 7.097 1.00 1.14 C ATOM 2181 OD1 ASP B 612 6.284 -19.649 6.911 1.00 1.26 O ATOM 2182 OD2 ASP B 612 5.333 -18.039 8.066 1.00 2.15 O ATOM 0 H ASP B 612 7.067 -15.984 4.206 1.00 0.00 H new ATOM 0 HA ASP B 612 5.450 -18.169 4.371 1.00 0.00 H new ATOM 0 HB2 ASP B 612 7.494 -17.743 5.725 1.00 0.01 H new ATOM 0 HB3 ASP B 612 6.667 -16.471 6.602 1.00 0.01 H new ATOM 2187 N GLU B 613 4.065 -15.620 5.948 1.00 0.00 N ATOM 2188 CA GLU B 613 2.782 -15.154 6.458 1.00 0.00 C ATOM 2189 C GLU B 613 1.739 -15.176 5.355 1.00 0.00 C ATOM 2190 O GLU B 613 0.561 -15.493 5.594 1.00 0.00 O ATOM 2191 CB GLU B 613 2.917 -13.742 7.031 1.00 0.01 C ATOM 2192 CG GLU B 613 3.882 -13.652 8.201 1.00 1.17 C ATOM 2193 CD GLU B 613 4.026 -12.240 8.732 1.00 1.82 C ATOM 2194 OE1 GLU B 613 3.145 -11.801 9.500 1.00 2.11 O ATOM 2195 OE2 GLU B 613 5.024 -11.574 8.382 1.00 2.66 O ATOM 0 H GLU B 613 4.826 -14.945 6.018 1.00 0.00 H new ATOM 0 HA GLU B 613 2.462 -15.823 7.256 1.00 0.00 H new ATOM 0 HB2 GLU B 613 3.252 -13.069 6.242 1.00 0.01 H new ATOM 0 HB3 GLU B 613 1.935 -13.394 7.352 1.00 0.01 H new ATOM 0 HG2 GLU B 613 3.536 -14.304 9.003 1.00 1.17 H new ATOM 0 HG3 GLU B 613 4.860 -14.020 7.890 1.00 1.17 H new ATOM 2202 N ILE B 614 2.169 -14.838 4.143 1.00 0.00 N ATOM 2203 CA ILE B 614 1.253 -14.857 3.011 1.00 0.00 C ATOM 2204 C ILE B 614 0.745 -16.287 2.699 1.00 0.00 C ATOM 2205 O ILE B 614 -0.443 -16.498 2.535 1.00 0.00 O ATOM 2206 CB ILE B 614 1.921 -14.288 1.744 1.00 0.05 C ATOM 2207 CG1 ILE B 614 2.604 -12.951 2.046 1.00 1.10 C ATOM 2208 CG2 ILE B 614 0.898 -14.127 0.629 1.00 1.11 C ATOM 2209 CD1 ILE B 614 1.699 -11.943 2.720 1.00 1.76 C ATOM 0 H ILE B 614 3.124 -14.554 3.923 1.00 0.00 H new ATOM 0 HA ILE B 614 0.406 -14.233 3.295 1.00 0.00 H new ATOM 0 HB ILE B 614 2.684 -14.993 1.413 1.00 0.05 H new ATOM 0 HG12 ILE B 614 3.470 -13.131 2.683 1.00 1.10 H new ATOM 0 HG13 ILE B 614 2.977 -12.525 1.114 1.00 1.10 H new ATOM 0 HG21 ILE B 614 1.387 -13.724 -0.258 1.00 1.11 H new ATOM 0 HG22 ILE B 614 0.461 -15.097 0.393 1.00 1.11 H new ATOM 0 HG23 ILE B 614 0.112 -13.444 0.952 1.00 1.11 H new ATOM 0 HD11 ILE B 614 2.252 -11.022 2.902 1.00 1.76 H new ATOM 0 HD12 ILE B 614 0.845 -11.732 2.076 1.00 1.76 H new ATOM 0 HD13 ILE B 614 1.346 -12.348 3.669 1.00 1.76 H new ATOM 2221 N LEU B 615 1.670 -17.240 2.634 1.00 0.00 N ATOM 2222 CA LEU B 615 1.355 -18.631 2.306 1.00 0.00 C ATOM 2223 C LEU B 615 0.437 -19.288 3.325 1.00 0.00 C ATOM 2224 O LEU B 615 -0.354 -20.158 2.976 1.00 0.00 O ATOM 2225 CB LEU B 615 2.649 -19.437 2.176 1.00 0.01 C ATOM 2226 CG LEU B 615 2.475 -20.876 1.690 1.00 1.09 C ATOM 2227 CD1 LEU B 615 3.678 -21.307 0.869 1.00 1.70 C ATOM 2228 CD2 LEU B 615 2.275 -21.819 2.867 1.00 1.84 C ATOM 0 H LEU B 615 2.661 -17.072 2.807 1.00 0.00 H new ATOM 0 HA LEU B 615 0.819 -18.621 1.357 1.00 0.00 H new ATOM 0 HB2 LEU B 615 3.315 -18.916 1.488 1.00 0.01 H new ATOM 0 HB3 LEU B 615 3.145 -19.456 3.146 1.00 0.01 H new ATOM 0 HG LEU B 615 1.588 -20.919 1.059 1.00 1.09 H new ATOM 0 HD11 LEU B 615 3.539 -22.334 0.531 1.00 1.70 H new ATOM 0 HD12 LEU B 615 3.783 -20.651 0.005 1.00 1.70 H new ATOM 0 HD13 LEU B 615 4.577 -21.246 1.482 1.00 1.70 H new ATOM 0 HD21 LEU B 615 2.153 -22.838 2.500 1.00 1.84 H new ATOM 0 HD22 LEU B 615 3.144 -21.771 3.523 1.00 1.84 H new ATOM 0 HD23 LEU B 615 1.384 -21.524 3.422 1.00 1.84 H new ATOM 2240 N ASN B 616 0.544 -18.867 4.582 1.00 0.00 N ATOM 2241 CA ASN B 616 -0.277 -19.433 5.644 1.00 0.00 C ATOM 2242 C ASN B 616 -1.712 -18.884 5.706 1.00 0.00 C ATOM 2243 O ASN B 616 -2.499 -19.270 6.569 1.00 0.00 O ATOM 2244 CB ASN B 616 0.410 -19.211 6.993 1.00 0.02 C ATOM 2245 CG ASN B 616 -0.251 -19.985 8.118 1.00 1.19 C ATOM 2246 OD1 ASN B 616 -0.819 -21.055 7.901 1.00 2.06 O ATOM 2247 ND2 ASN B 616 -0.179 -19.445 9.329 1.00 1.95 N ATOM 0 H ASN B 616 1.189 -18.139 4.888 1.00 0.00 H new ATOM 0 HA ASN B 616 -0.372 -20.494 5.414 1.00 0.00 H new ATOM 0 HB2 ASN B 616 1.456 -19.509 6.917 1.00 0.02 H new ATOM 0 HB3 ASN B 616 0.398 -18.148 7.232 1.00 0.02 H new ATOM 0 HD21 ASN B 616 -0.605 -19.920 10.125 1.00 1.95 H new ATOM 0 HD22 ASN B 616 0.302 -18.556 9.463 1.00 1.95 H new ATOM 2254 N ASN B 617 -2.039 -18.006 4.771 1.00 0.00 N ATOM 2255 CA ASN B 617 -3.313 -17.302 4.761 1.00 0.00 C ATOM 2256 C ASN B 617 -3.876 -17.110 3.368 1.00 0.00 C ATOM 2257 O ASN B 617 -4.772 -16.273 3.170 1.00 0.00 O ATOM 2258 CB ASN B 617 -3.213 -15.951 5.491 1.00 0.03 C ATOM 2259 CG ASN B 617 -2.232 -14.968 4.868 1.00 1.15 C ATOM 2260 OD1 ASN B 617 -1.557 -14.226 5.581 1.00 1.96 O ATOM 2261 ND2 ASN B 617 -2.163 -14.926 3.543 1.00 1.97 N ATOM 0 H ASN B 617 -1.426 -17.760 3.994 1.00 0.00 H new ATOM 0 HA ASN B 617 -4.012 -17.942 5.300 1.00 0.00 H new ATOM 0 HB2 ASN B 617 -4.201 -15.492 5.516 1.00 0.03 H new ATOM 0 HB3 ASN B 617 -2.919 -16.132 6.525 1.00 0.03 H new ATOM 0 HD21 ASN B 617 -1.536 -14.264 3.086 1.00 1.97 H new ATOM 0 HD22 ASN B 617 -2.737 -15.556 2.982 1.00 1.97 H new ATOM 2268 N ILE B 618 -3.357 -17.845 2.396 1.00 0.00 N ATOM 2269 CA ILE B 618 -3.823 -17.636 1.025 1.00 0.00 C ATOM 2270 C ILE B 618 -5.341 -17.583 0.990 1.00 0.00 C ATOM 2271 O ILE B 618 -5.922 -16.677 0.393 1.00 0.00 O ATOM 2272 CB ILE B 618 -3.317 -18.751 0.082 1.00 0.01 C ATOM 2273 CG1 ILE B 618 -3.880 -18.557 -1.330 1.00 1.42 C ATOM 2274 CG2 ILE B 618 -3.687 -20.124 0.627 1.00 1.42 C ATOM 2275 CD1 ILE B 618 -3.371 -19.572 -2.333 1.00 2.01 C ATOM 0 H ILE B 618 -2.643 -18.563 2.516 1.00 0.00 H new ATOM 0 HA ILE B 618 -3.418 -16.686 0.677 1.00 0.00 H new ATOM 0 HB ILE B 618 -2.230 -18.689 0.028 1.00 0.01 H new ATOM 0 HG12 ILE B 618 -4.968 -18.614 -1.289 1.00 1.42 H new ATOM 0 HG13 ILE B 618 -3.626 -17.556 -1.679 1.00 1.42 H new ATOM 0 HG21 ILE B 618 -3.322 -20.895 -0.051 1.00 1.42 H new ATOM 0 HG22 ILE B 618 -3.234 -20.260 1.609 1.00 1.42 H new ATOM 0 HG23 ILE B 618 -4.771 -20.201 0.714 1.00 1.42 H new ATOM 0 HD11 ILE B 618 -3.812 -19.372 -3.309 1.00 2.01 H new ATOM 0 HD12 ILE B 618 -2.286 -19.501 -2.404 1.00 2.01 H new ATOM 0 HD13 ILE B 618 -3.648 -20.575 -2.008 1.00 2.01 H new ATOM 2287 N ASN B 619 -5.976 -18.537 1.658 1.00 0.00 N ATOM 2288 CA ASN B 619 -7.421 -18.615 1.618 1.00 0.00 C ATOM 2289 C ASN B 619 -8.120 -17.400 2.222 1.00 0.00 C ATOM 2290 O ASN B 619 -8.976 -16.783 1.589 1.00 0.00 O ATOM 2291 CB ASN B 619 -7.893 -19.882 2.334 1.00 0.01 C ATOM 2292 CG ASN B 619 -7.343 -21.145 1.697 1.00 1.38 C ATOM 2293 OD1 ASN B 619 -7.091 -21.187 0.493 1.00 2.28 O ATOM 2294 ND2 ASN B 619 -7.153 -22.182 2.505 1.00 2.18 N ATOM 0 H ASN B 619 -5.519 -19.253 2.223 1.00 0.00 H new ATOM 0 HA ASN B 619 -7.695 -18.641 0.563 1.00 0.00 H new ATOM 0 HB2 ASN B 619 -7.585 -19.842 3.379 1.00 0.01 H new ATOM 0 HB3 ASN B 619 -8.982 -19.918 2.324 1.00 0.01 H new ATOM 0 HD21 ASN B 619 -6.784 -23.057 2.133 1.00 2.18 H new ATOM 0 HD22 ASN B 619 -7.376 -22.103 3.497 1.00 2.18 H new ATOM 2301 N THR B 620 -7.735 -17.027 3.435 1.00 0.00 N ATOM 2302 CA THR B 620 -8.361 -15.873 4.060 1.00 0.00 C ATOM 2303 C THR B 620 -8.211 -14.640 3.184 1.00 0.00 C ATOM 2304 O THR B 620 -9.097 -13.802 3.161 1.00 0.00 O ATOM 2305 CB THR B 620 -7.753 -15.582 5.444 1.00 0.02 C ATOM 2306 OG1 THR B 620 -6.385 -15.178 5.303 1.00 1.27 O ATOM 2307 CG2 THR B 620 -7.832 -16.808 6.341 1.00 1.32 C ATOM 0 H THR B 620 -7.016 -17.490 3.990 1.00 0.00 H new ATOM 0 HA THR B 620 -9.418 -16.109 4.183 1.00 0.00 H new ATOM 0 HB THR B 620 -8.326 -14.777 5.904 1.00 0.02 H new ATOM 0 HG1 THR B 620 -6.008 -15.578 4.492 1.00 1.27 H new ATOM 0 HG21 THR B 620 -7.396 -16.577 7.313 1.00 1.32 H new ATOM 0 HG22 THR B 620 -8.875 -17.097 6.471 1.00 1.32 H new ATOM 0 HG23 THR B 620 -7.282 -17.630 5.883 1.00 1.32 H new ATOM 2315 N ILE B 621 -7.110 -14.545 2.430 1.00 0.00 N ATOM 2316 CA ILE B 621 -6.883 -13.378 1.577 1.00 0.00 C ATOM 2317 C ILE B 621 -7.647 -13.377 0.259 1.00 0.00 C ATOM 2318 O ILE B 621 -8.174 -12.334 -0.140 1.00 0.00 O ATOM 2319 CB ILE B 621 -5.383 -13.119 1.306 1.00 0.06 C ATOM 2320 CG1 ILE B 621 -4.775 -14.209 0.426 1.00 1.39 C ATOM 2321 CG2 ILE B 621 -4.623 -13.013 2.619 1.00 1.37 C ATOM 2322 CD1 ILE B 621 -3.415 -13.848 -0.131 1.00 2.00 C ATOM 0 H ILE B 621 -6.374 -15.251 2.394 1.00 0.00 H new ATOM 0 HA ILE B 621 -7.290 -12.560 2.171 1.00 0.00 H new ATOM 0 HB ILE B 621 -5.299 -12.175 0.768 1.00 0.06 H new ATOM 0 HG12 ILE B 621 -4.689 -15.127 1.007 1.00 1.39 H new ATOM 0 HG13 ILE B 621 -5.454 -14.418 -0.401 1.00 1.39 H new ATOM 0 HG21 ILE B 621 -3.568 -12.831 2.415 1.00 1.37 H new ATOM 0 HG22 ILE B 621 -5.027 -12.189 3.207 1.00 1.37 H new ATOM 0 HG23 ILE B 621 -4.729 -13.943 3.177 1.00 1.37 H new ATOM 0 HD11 ILE B 621 -3.044 -14.668 -0.746 1.00 2.00 H new ATOM 0 HD12 ILE B 621 -3.498 -12.947 -0.739 1.00 2.00 H new ATOM 0 HD13 ILE B 621 -2.721 -13.668 0.690 1.00 2.00 H new ATOM 2334 N ILE B 622 -7.707 -14.515 -0.433 1.00 0.00 N ATOM 2335 CA ILE B 622 -8.391 -14.530 -1.731 1.00 0.00 C ATOM 2336 C ILE B 622 -9.900 -14.805 -1.667 1.00 0.00 C ATOM 2337 O ILE B 622 -10.588 -14.712 -2.677 1.00 0.00 O ATOM 2338 CB ILE B 622 -7.747 -15.570 -2.669 1.00 0.04 C ATOM 2339 CG1 ILE B 622 -7.748 -16.956 -2.021 1.00 1.31 C ATOM 2340 CG2 ILE B 622 -6.330 -15.149 -3.031 1.00 1.30 C ATOM 2341 CD1 ILE B 622 -8.989 -17.771 -2.318 1.00 2.09 C ATOM 0 H ILE B 622 -7.309 -15.406 -0.135 1.00 0.00 H new ATOM 0 HA ILE B 622 -8.272 -13.516 -2.113 1.00 0.00 H new ATOM 0 HB ILE B 622 -8.337 -15.622 -3.584 1.00 0.04 H new ATOM 0 HG12 ILE B 622 -6.872 -17.507 -2.364 1.00 1.31 H new ATOM 0 HG13 ILE B 622 -7.650 -16.842 -0.941 1.00 1.31 H new ATOM 0 HG21 ILE B 622 -5.888 -15.893 -3.694 1.00 1.30 H new ATOM 0 HG22 ILE B 622 -6.355 -14.183 -3.535 1.00 1.30 H new ATOM 0 HG23 ILE B 622 -5.731 -15.069 -2.124 1.00 1.30 H new ATOM 0 HD11 ILE B 622 -8.915 -18.740 -1.824 1.00 2.09 H new ATOM 0 HD12 ILE B 622 -9.868 -17.242 -1.950 1.00 2.09 H new ATOM 0 HD13 ILE B 622 -9.079 -17.918 -3.394 1.00 2.09 H new ATOM 2353 N CYS B 623 -10.385 -15.122 -0.472 1.00 0.00 N ATOM 2354 CA CYS B 623 -11.811 -15.425 -0.205 1.00 0.00 C ATOM 2355 C CYS B 623 -12.806 -14.926 -1.221 1.00 0.00 C ATOM 2356 O CYS B 623 -13.595 -15.691 -1.775 1.00 0.00 O ATOM 2357 CB CYS B 623 -12.193 -14.888 1.175 1.00 0.01 C ATOM 2358 SG CYS B 623 -11.837 -13.131 1.413 1.00 1.47 S ATOM 0 H CYS B 623 -9.799 -15.180 0.361 1.00 0.00 H new ATOM 0 HA CYS B 623 -11.875 -16.512 -0.264 1.00 0.00 H new ATOM 0 HB2 CYS B 623 -13.258 -15.056 1.336 1.00 0.01 H new ATOM 0 HB3 CYS B 623 -11.662 -15.461 1.935 1.00 0.01 H new ATOM 0 HG CYS B 623 -10.749 -13.000 2.112 1.00 1.47 H new ATOM 2364 N ASP B 624 -12.778 -13.612 -1.404 1.00 0.00 N ATOM 2365 CA ASP B 624 -13.836 -12.879 -2.056 1.00 0.00 C ATOM 2366 C ASP B 624 -13.490 -12.596 -3.497 1.00 0.00 C ATOM 2367 O ASP B 624 -14.324 -12.082 -4.248 1.00 0.00 O ATOM 2368 CB ASP B 624 -14.112 -11.568 -1.316 1.00 0.01 C ATOM 2369 CG ASP B 624 -15.328 -10.841 -1.859 1.00 1.08 C ATOM 2370 OD1 ASP B 624 -16.453 -11.149 -1.411 1.00 1.01 O ATOM 2371 OD2 ASP B 624 -15.156 -9.964 -2.731 1.00 2.07 O ATOM 0 H ASP B 624 -12.004 -13.024 -1.096 1.00 0.00 H new ATOM 0 HA ASP B 624 -14.735 -13.495 -2.033 1.00 0.00 H new ATOM 0 HB2 ASP B 624 -14.260 -11.777 -0.256 1.00 0.01 H new ATOM 0 HB3 ASP B 624 -13.240 -10.919 -1.394 1.00 0.01 H new ATOM 2376 N LEU B 625 -12.252 -12.908 -3.882 1.00 0.00 N ATOM 2377 CA LEU B 625 -11.755 -12.556 -5.211 1.00 0.00 C ATOM 2378 C LEU B 625 -12.404 -13.419 -6.307 1.00 0.00 C ATOM 2379 O LEU B 625 -12.733 -14.584 -6.068 1.00 0.00 O ATOM 2380 CB LEU B 625 -10.231 -12.701 -5.265 1.00 0.06 C ATOM 2381 CG LEU B 625 -9.442 -11.585 -4.571 1.00 0.72 C ATOM 2382 CD1 LEU B 625 -9.726 -11.574 -3.078 1.00 1.60 C ATOM 2383 CD2 LEU B 625 -7.951 -11.745 -4.831 1.00 1.67 C ATOM 0 H LEU B 625 -11.579 -13.401 -3.296 1.00 0.00 H new ATOM 0 HA LEU B 625 -12.025 -11.517 -5.398 1.00 0.00 H new ATOM 0 HB2 LEU B 625 -9.957 -13.653 -4.811 1.00 0.06 H new ATOM 0 HB3 LEU B 625 -9.923 -12.745 -6.310 1.00 0.06 H new ATOM 0 HG LEU B 625 -9.764 -10.630 -4.986 1.00 0.72 H new ATOM 0 HD11 LEU B 625 -9.156 -10.774 -2.605 1.00 1.60 H new ATOM 0 HD12 LEU B 625 -10.790 -11.408 -2.911 1.00 1.60 H new ATOM 0 HD13 LEU B 625 -9.436 -12.531 -2.645 1.00 1.60 H new ATOM 0 HD21 LEU B 625 -7.406 -10.944 -4.331 1.00 1.67 H new ATOM 0 HD22 LEU B 625 -7.616 -12.708 -4.445 1.00 1.67 H new ATOM 0 HD23 LEU B 625 -7.762 -11.698 -5.903 1.00 1.67 H new ATOM 2395 N GLN B 626 -12.603 -12.839 -7.492 1.00 0.00 N ATOM 2396 CA GLN B 626 -13.106 -13.585 -8.647 1.00 0.00 C ATOM 2397 C GLN B 626 -11.973 -14.416 -9.224 1.00 0.00 C ATOM 2398 O GLN B 626 -10.806 -14.132 -8.969 1.00 0.00 O ATOM 2399 CB GLN B 626 -13.657 -12.624 -9.706 1.00 0.01 C ATOM 2400 CG GLN B 626 -14.927 -11.899 -9.279 1.00 0.94 C ATOM 2401 CD GLN B 626 -14.685 -10.895 -8.168 1.00 1.63 C ATOM 2402 OE1 GLN B 626 -14.380 -9.730 -8.424 1.00 2.35 O ATOM 2403 NE2 GLN B 626 -14.827 -11.340 -6.926 1.00 2.33 N ATOM 0 H GLN B 626 -12.423 -11.852 -7.677 1.00 0.00 H new ATOM 0 HA GLN B 626 -13.918 -14.241 -8.333 1.00 0.00 H new ATOM 0 HB2 GLN B 626 -12.892 -11.886 -9.946 1.00 0.01 H new ATOM 0 HB3 GLN B 626 -13.859 -13.183 -10.620 1.00 0.01 H new ATOM 0 HG2 GLN B 626 -15.354 -11.385 -10.140 1.00 0.94 H new ATOM 0 HG3 GLN B 626 -15.664 -12.631 -8.947 1.00 0.94 H new ATOM 0 HE21 GLN B 626 -15.081 -12.314 -6.759 1.00 2.33 H new ATOM 0 HE22 GLN B 626 -14.682 -10.708 -6.138 1.00 2.33 H new ATOM 2412 N PRO B 627 -12.303 -15.426 -10.033 1.00 0.00 N ATOM 2413 CA PRO B 627 -11.275 -16.305 -10.610 1.00 0.00 C ATOM 2414 C PRO B 627 -10.075 -15.600 -11.241 1.00 0.00 C ATOM 2415 O PRO B 627 -8.930 -16.023 -11.066 1.00 0.00 O ATOM 2416 CB PRO B 627 -12.051 -17.074 -11.680 1.00 0.01 C ATOM 2417 CG PRO B 627 -13.456 -17.104 -11.186 1.00 0.44 C ATOM 2418 CD PRO B 627 -13.667 -15.810 -10.448 1.00 0.01 C ATOM 0 HA PRO B 627 -10.817 -16.910 -9.827 1.00 0.00 H new ATOM 0 HB2 PRO B 627 -11.983 -16.580 -12.649 1.00 0.01 H new ATOM 0 HB3 PRO B 627 -11.655 -18.082 -11.808 1.00 0.01 H new ATOM 0 HG2 PRO B 627 -14.158 -17.199 -12.014 1.00 0.44 H new ATOM 0 HG3 PRO B 627 -13.620 -17.958 -10.529 1.00 0.44 H new ATOM 0 HD2 PRO B 627 -14.121 -15.052 -11.087 1.00 0.01 H new ATOM 0 HD3 PRO B 627 -14.326 -15.940 -9.590 1.00 0.01 H new ATOM 2426 N GLN B 628 -10.336 -14.549 -12.003 1.00 0.00 N ATOM 2427 CA GLN B 628 -9.274 -13.891 -12.732 1.00 0.00 C ATOM 2428 C GLN B 628 -8.314 -13.216 -11.747 1.00 0.00 C ATOM 2429 O GLN B 628 -7.088 -13.318 -11.878 1.00 0.00 O ATOM 2430 CB GLN B 628 -9.847 -12.862 -13.709 1.00 0.01 C ATOM 2431 CG GLN B 628 -8.790 -12.182 -14.564 1.00 1.30 C ATOM 2432 CD GLN B 628 -9.384 -11.277 -15.627 1.00 1.94 C ATOM 2433 OE1 GLN B 628 -8.809 -11.104 -16.701 1.00 2.62 O ATOM 2434 NE2 GLN B 628 -10.539 -10.691 -15.332 1.00 2.58 N ATOM 0 H GLN B 628 -11.262 -14.141 -12.129 1.00 0.00 H new ATOM 0 HA GLN B 628 -8.727 -14.637 -13.309 1.00 0.00 H new ATOM 0 HB2 GLN B 628 -10.568 -13.355 -14.361 1.00 0.01 H new ATOM 0 HB3 GLN B 628 -10.391 -12.103 -13.147 1.00 0.01 H new ATOM 0 HG2 GLN B 628 -8.132 -11.597 -13.922 1.00 1.30 H new ATOM 0 HG3 GLN B 628 -8.174 -12.942 -15.044 1.00 1.30 H new ATOM 0 HE21 GLN B 628 -10.982 -10.862 -14.429 1.00 2.58 H new ATOM 0 HE22 GLN B 628 -10.983 -10.070 -16.008 1.00 2.58 H new ATOM 2443 N GLN B 629 -8.880 -12.562 -10.738 1.00 0.00 N ATOM 2444 CA GLN B 629 -8.098 -11.896 -9.709 1.00 0.00 C ATOM 2445 C GLN B 629 -7.269 -12.898 -8.924 1.00 0.00 C ATOM 2446 O GLN B 629 -6.117 -12.627 -8.558 1.00 0.00 O ATOM 2447 CB GLN B 629 -9.017 -11.122 -8.762 1.00 0.01 C ATOM 2448 CG GLN B 629 -9.771 -9.990 -9.442 1.00 0.49 C ATOM 2449 CD GLN B 629 -10.828 -9.369 -8.548 1.00 1.22 C ATOM 2450 OE1 GLN B 629 -11.850 -8.878 -9.027 1.00 2.04 O ATOM 2451 NE2 GLN B 629 -10.586 -9.388 -7.241 1.00 2.06 N ATOM 0 H GLN B 629 -9.889 -12.480 -10.613 1.00 0.00 H new ATOM 0 HA GLN B 629 -7.420 -11.197 -10.198 1.00 0.00 H new ATOM 0 HB2 GLN B 629 -9.735 -11.813 -8.320 1.00 0.01 H new ATOM 0 HB3 GLN B 629 -8.423 -10.713 -7.945 1.00 0.01 H new ATOM 0 HG2 GLN B 629 -9.063 -9.220 -9.749 1.00 0.49 H new ATOM 0 HG3 GLN B 629 -10.244 -10.367 -10.349 1.00 0.49 H new ATOM 0 HE21 GLN B 629 -9.725 -9.806 -6.888 1.00 2.06 H new ATOM 0 HE22 GLN B 629 -11.261 -8.985 -6.591 1.00 2.06 H new ATOM 2460 N VAL B 630 -7.847 -14.067 -8.664 1.00 0.00 N ATOM 2461 CA VAL B 630 -7.110 -15.131 -7.975 1.00 0.00 C ATOM 2462 C VAL B 630 -5.861 -15.524 -8.766 1.00 0.00 C ATOM 2463 O VAL B 630 -4.770 -15.016 -8.435 1.00 1.10 O ATOM 2464 CB VAL B 630 -7.988 -16.380 -7.752 1.00 0.05 C ATOM 2465 CG1 VAL B 630 -7.194 -17.483 -7.068 1.00 1.27 C ATOM 2466 CG2 VAL B 630 -9.220 -16.024 -6.935 1.00 1.30 C ATOM 2467 OXT VAL B 630 -5.987 -16.333 -9.709 1.00 1.10 O ATOM 0 H VAL B 630 -8.807 -14.303 -8.914 1.00 0.00 H new ATOM 0 HA VAL B 630 -6.815 -14.737 -7.002 1.00 0.00 H new ATOM 0 HB VAL B 630 -8.312 -16.748 -8.725 1.00 0.05 H new ATOM 0 HG11 VAL B 630 -7.833 -18.354 -6.921 1.00 1.27 H new ATOM 0 HG12 VAL B 630 -6.343 -17.759 -7.691 1.00 1.27 H new ATOM 0 HG13 VAL B 630 -6.836 -17.128 -6.101 1.00 1.27 H new ATOM 0 HG21 VAL B 630 -9.829 -16.916 -6.787 1.00 1.30 H new ATOM 0 HG22 VAL B 630 -8.913 -15.629 -5.967 1.00 1.30 H new ATOM 0 HG23 VAL B 630 -9.803 -15.271 -7.465 1.00 1.30 H new TER 2477 VAL B 630