USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 691 hydrogens (30 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 NoAdj-H: A 39 HIS HE2 : A 39 HIS NE2 : A 95 HEMFE :(H bumps) USER MOD NoAdj-H: A 63 HIS HE2 : A 63 HIS NE2 : A 95 HEMFE :(H bumps) USER MOD Set 1.1: A 71 SER OG : rot 180:sc= -0.329 USER MOD Set 1.2: A 95 HEM CMB :methyl 150:sc= -1.03 (180deg=-1.03) USER MOD Set 2.1: A 35 TYR OH : rot 30:sc= -2.59! USER MOD Set 2.2: A 95 HEM CMA :methyl -30:sc= -0.0327 (180deg=-0.973) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 0:sc= -1.36 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.142 USER MOD Single : A 13 GLN : amide:sc=-0.00244 X(o=-0.0024,f=-0.11) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -6.04 K(o=-6,f=-5.5!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 10:sc= 1.21 USER MOD Single : A 26 HIS : no HE2:sc= -7.29 K(o=-7.3,f=-10!) USER MOD Single : A 27 HIS : no HD1:sc= -2.05 X(o=-2,f=-2.3) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc=-0.00831 USER MOD Single : A 33 THR OG1 : rot 116:sc= 1.14 USER MOD Single : A 34 LYS NZ :NH3+ 158:sc= 0.225 (180deg=-0.954) USER MOD Single : A 49 GLN : amide:sc= 0.987 K(o=0.99,f=-0.24) USER MOD Single : A 55 THR OG1 : rot 22:sc= 0.123 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.91 K(o=-0.91,f=-0.28) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 HEM CMC :methyl -30:sc= -3.04! (180deg=-5.67!) USER MOD Single : A 95 HEM CMD :methyl -30:sc= -8.54! (180deg=-13.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 4 2.721 -0.711 -8.027 1.00 0.00 N ATOM 2 CA VAL A 4 3.378 0.535 -8.379 1.00 0.00 C ATOM 3 C VAL A 4 2.325 1.633 -8.549 1.00 0.00 C ATOM 4 O VAL A 4 1.128 1.351 -8.569 1.00 0.00 O ATOM 5 CB VAL A 4 4.242 0.337 -9.626 1.00 0.00 C ATOM 6 CG1 VAL A 4 3.426 0.564 -10.900 1.00 0.00 C ATOM 7 CG2 VAL A 4 5.471 1.248 -9.593 1.00 0.00 C ATOM 0 HA VAL A 4 4.050 0.851 -7.581 1.00 0.00 H new ATOM 0 HB VAL A 4 4.591 -0.696 -9.631 1.00 0.00 H new ATOM 0 HG11 VAL A 4 4.064 0.417 -11.772 1.00 0.00 H new ATOM 0 HG12 VAL A 4 2.598 -0.144 -10.933 1.00 0.00 H new ATOM 0 HG13 VAL A 4 3.034 1.581 -10.905 1.00 0.00 H new ATOM 0 HG21 VAL A 4 6.068 1.087 -10.491 1.00 0.00 H new ATOM 0 HG22 VAL A 4 5.151 2.289 -9.552 1.00 0.00 H new ATOM 0 HG23 VAL A 4 6.071 1.018 -8.713 1.00 0.00 H new ATOM 17 N LYS A 5 2.809 2.859 -8.667 1.00 0.00 N ATOM 18 CA LYS A 5 1.925 4.000 -8.836 1.00 0.00 C ATOM 19 C LYS A 5 2.121 4.591 -10.233 1.00 0.00 C ATOM 20 O LYS A 5 3.232 4.973 -10.599 1.00 0.00 O ATOM 21 CB LYS A 5 2.133 5.011 -7.705 1.00 0.00 C ATOM 22 CG LYS A 5 1.018 4.906 -6.664 1.00 0.00 C ATOM 23 CD LYS A 5 -0.016 6.020 -6.853 1.00 0.00 C ATOM 24 CE LYS A 5 -0.815 5.812 -8.142 1.00 0.00 C ATOM 25 NZ LYS A 5 -1.752 6.937 -8.356 1.00 0.00 N ATOM 0 H LYS A 5 3.803 3.088 -8.649 1.00 0.00 H new ATOM 0 HA LYS A 5 0.883 3.688 -8.766 1.00 0.00 H new ATOM 0 HB2 LYS A 5 3.098 4.836 -7.229 1.00 0.00 H new ATOM 0 HB3 LYS A 5 2.159 6.021 -8.115 1.00 0.00 H new ATOM 0 HG2 LYS A 5 0.530 3.935 -6.745 1.00 0.00 H new ATOM 0 HG3 LYS A 5 1.444 4.966 -5.662 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -0.694 6.041 -6.000 1.00 0.00 H new ATOM 0 HD3 LYS A 5 0.487 6.987 -6.884 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -0.135 5.731 -8.990 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -1.369 4.875 -8.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -2.287 6.781 -9.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -2.412 6.996 -7.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -1.217 7.826 -8.430 1.00 0.00 H new ATOM 39 N TYR A 6 1.025 4.648 -10.976 1.00 0.00 N ATOM 40 CA TYR A 6 1.063 5.187 -12.325 1.00 0.00 C ATOM 41 C TYR A 6 0.548 6.627 -12.355 1.00 0.00 C ATOM 42 O TYR A 6 -0.582 6.895 -11.951 1.00 0.00 O ATOM 43 CB TYR A 6 0.128 4.306 -13.157 1.00 0.00 C ATOM 44 CG TYR A 6 0.553 2.838 -13.225 1.00 0.00 C ATOM 45 CD1 TYR A 6 1.844 2.509 -13.588 1.00 0.00 C ATOM 46 CD2 TYR A 6 -0.352 1.842 -12.922 1.00 0.00 C ATOM 47 CE1 TYR A 6 2.245 1.127 -13.653 1.00 0.00 C ATOM 48 CE2 TYR A 6 0.048 0.460 -12.986 1.00 0.00 C ATOM 49 CZ TYR A 6 1.326 0.171 -13.349 1.00 0.00 C ATOM 50 OH TYR A 6 1.704 -1.134 -13.408 1.00 0.00 O ATOM 0 H TYR A 6 0.106 4.330 -10.669 1.00 0.00 H new ATOM 0 HA TYR A 6 2.084 5.192 -12.708 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -0.877 4.364 -12.738 1.00 0.00 H new ATOM 0 HB3 TYR A 6 0.075 4.705 -14.170 1.00 0.00 H new ATOM 0 HD1 TYR A 6 2.554 3.288 -13.823 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -1.361 2.099 -12.637 1.00 0.00 H new ATOM 0 HE1 TYR A 6 3.251 0.856 -13.936 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -0.651 -0.329 -12.751 1.00 0.00 H new ATOM 0 HH TYR A 6 0.946 -1.705 -13.164 1.00 0.00 H new ATOM 60 N TYR A 7 1.403 7.517 -12.838 1.00 0.00 N ATOM 61 CA TYR A 7 1.049 8.923 -12.927 1.00 0.00 C ATOM 62 C TYR A 7 0.860 9.351 -14.384 1.00 0.00 C ATOM 63 O TYR A 7 1.511 8.816 -15.280 1.00 0.00 O ATOM 64 CB TYR A 7 2.229 9.693 -12.331 1.00 0.00 C ATOM 65 CG TYR A 7 2.791 9.076 -11.048 1.00 0.00 C ATOM 66 CD1 TYR A 7 1.955 8.823 -9.980 1.00 0.00 C ATOM 67 CD2 TYR A 7 4.133 8.772 -10.960 1.00 0.00 C ATOM 68 CE1 TYR A 7 2.483 8.242 -8.774 1.00 0.00 C ATOM 69 CE2 TYR A 7 4.663 8.190 -9.753 1.00 0.00 C ATOM 70 CZ TYR A 7 3.812 7.955 -8.719 1.00 0.00 C ATOM 71 OH TYR A 7 4.311 7.406 -7.580 1.00 0.00 O ATOM 0 H TYR A 7 2.340 7.291 -13.172 1.00 0.00 H new ATOM 0 HA TYR A 7 0.114 9.117 -12.401 1.00 0.00 H new ATOM 0 HB2 TYR A 7 3.025 9.750 -13.074 1.00 0.00 H new ATOM 0 HB3 TYR A 7 1.914 10.716 -12.123 1.00 0.00 H new ATOM 0 HD1 TYR A 7 0.904 9.061 -10.049 1.00 0.00 H new ATOM 0 HD2 TYR A 7 4.787 8.970 -11.796 1.00 0.00 H new ATOM 0 HE1 TYR A 7 1.839 8.038 -7.931 1.00 0.00 H new ATOM 0 HE2 TYR A 7 5.712 7.946 -9.672 1.00 0.00 H new ATOM 0 HH TYR A 7 3.589 7.294 -6.927 1.00 0.00 H new ATOM 81 N THR A 8 -0.033 10.311 -14.575 1.00 0.00 N ATOM 82 CA THR A 8 -0.315 10.816 -15.907 1.00 0.00 C ATOM 83 C THR A 8 0.822 11.722 -16.386 1.00 0.00 C ATOM 84 O THR A 8 1.551 12.290 -15.574 1.00 0.00 O ATOM 85 CB THR A 8 -1.675 11.516 -15.869 1.00 0.00 C ATOM 86 OG1 THR A 8 -1.665 12.228 -14.635 1.00 0.00 O ATOM 87 CG2 THR A 8 -2.837 10.531 -15.722 1.00 0.00 C ATOM 0 H THR A 8 -0.571 10.752 -13.829 1.00 0.00 H new ATOM 0 HA THR A 8 -0.371 10.006 -16.634 1.00 0.00 H new ATOM 0 HB THR A 8 -1.808 12.100 -16.780 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.510 12.712 -14.530 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.779 11.080 -15.700 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.838 9.841 -16.566 1.00 0.00 H new ATOM 0 HG23 THR A 8 -2.723 9.969 -14.795 1.00 0.00 H new ATOM 95 N LEU A 9 0.937 11.828 -17.702 1.00 0.00 N ATOM 96 CA LEU A 9 1.971 12.655 -18.298 1.00 0.00 C ATOM 97 C LEU A 9 1.753 14.114 -17.888 1.00 0.00 C ATOM 98 O LEU A 9 2.642 14.947 -18.051 1.00 0.00 O ATOM 99 CB LEU A 9 2.021 12.443 -19.812 1.00 0.00 C ATOM 100 CG LEU A 9 1.044 13.283 -20.639 1.00 0.00 C ATOM 101 CD1 LEU A 9 1.257 13.053 -22.137 1.00 0.00 C ATOM 102 CD2 LEU A 9 -0.402 13.015 -20.217 1.00 0.00 C ATOM 0 H LEU A 9 0.331 11.354 -18.372 1.00 0.00 H new ATOM 0 HA LEU A 9 2.953 12.363 -17.926 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.033 12.656 -20.156 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.829 11.390 -20.018 1.00 0.00 H new ATOM 0 HG LEU A 9 1.246 14.336 -20.443 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.551 13.661 -22.702 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.275 13.334 -22.407 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.097 12.000 -22.370 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.076 13.624 -20.820 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.635 11.961 -20.366 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -0.527 13.269 -19.164 1.00 0.00 H new ATOM 114 N GLU A 10 0.565 14.375 -17.364 1.00 0.00 N ATOM 115 CA GLU A 10 0.218 15.718 -16.928 1.00 0.00 C ATOM 116 C GLU A 10 1.037 16.104 -15.696 1.00 0.00 C ATOM 117 O GLU A 10 1.421 17.263 -15.540 1.00 0.00 O ATOM 118 CB GLU A 10 -1.282 15.833 -16.649 1.00 0.00 C ATOM 119 CG GLU A 10 -1.986 16.626 -17.751 1.00 0.00 C ATOM 120 CD GLU A 10 -2.080 18.109 -17.385 1.00 0.00 C ATOM 121 OE1 GLU A 10 -2.972 18.438 -16.572 1.00 0.00 O ATOM 122 OE2 GLU A 10 -1.258 18.880 -17.926 1.00 0.00 O ATOM 0 H GLU A 10 -0.170 13.680 -17.231 1.00 0.00 H new ATOM 0 HA GLU A 10 0.459 16.414 -17.732 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.719 14.837 -16.577 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.440 16.321 -15.687 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.443 16.513 -18.689 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.986 16.223 -17.912 1.00 0.00 H new ATOM 129 N GLU A 11 1.280 15.113 -14.851 1.00 0.00 N ATOM 130 CA GLU A 11 2.047 15.335 -13.638 1.00 0.00 C ATOM 131 C GLU A 11 3.443 15.858 -13.980 1.00 0.00 C ATOM 132 O GLU A 11 3.748 17.027 -13.743 1.00 0.00 O ATOM 133 CB GLU A 11 2.130 14.058 -12.800 1.00 0.00 C ATOM 134 CG GLU A 11 1.349 14.208 -11.493 1.00 0.00 C ATOM 135 CD GLU A 11 -0.031 13.557 -11.601 1.00 0.00 C ATOM 136 OE1 GLU A 11 -0.087 12.428 -12.135 1.00 0.00 O ATOM 137 OE2 GLU A 11 -1.001 14.204 -11.148 1.00 0.00 O ATOM 0 H GLU A 11 0.959 14.154 -14.983 1.00 0.00 H new ATOM 0 HA GLU A 11 1.534 16.089 -13.041 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.733 13.218 -13.370 1.00 0.00 H new ATOM 0 HB3 GLU A 11 3.173 13.830 -12.580 1.00 0.00 H new ATOM 0 HG2 GLU A 11 1.908 13.750 -10.677 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.238 15.265 -11.251 1.00 0.00 H new ATOM 144 N ILE A 12 4.255 14.968 -14.532 1.00 0.00 N ATOM 145 CA ILE A 12 5.612 15.326 -14.910 1.00 0.00 C ATOM 146 C ILE A 12 5.629 16.761 -15.438 1.00 0.00 C ATOM 147 O ILE A 12 6.472 17.563 -15.040 1.00 0.00 O ATOM 148 CB ILE A 12 6.182 14.301 -15.892 1.00 0.00 C ATOM 149 CG1 ILE A 12 5.061 13.571 -16.634 1.00 0.00 C ATOM 150 CG2 ILE A 12 7.128 13.330 -15.184 1.00 0.00 C ATOM 151 CD1 ILE A 12 4.739 12.234 -15.964 1.00 0.00 C ATOM 0 H ILE A 12 3.999 14.000 -14.727 1.00 0.00 H new ATOM 0 HA ILE A 12 6.269 15.300 -14.041 1.00 0.00 H new ATOM 0 HB ILE A 12 6.769 14.834 -16.640 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.168 14.195 -16.655 1.00 0.00 H new ATOM 0 HG13 ILE A 12 5.356 13.401 -17.669 1.00 0.00 H new ATOM 0 HG21 ILE A 12 7.519 12.612 -15.905 1.00 0.00 H new ATOM 0 HG22 ILE A 12 7.954 13.885 -14.740 1.00 0.00 H new ATOM 0 HG23 ILE A 12 6.586 12.799 -14.401 1.00 0.00 H new ATOM 0 HD11 ILE A 12 3.939 11.736 -16.512 1.00 0.00 H new ATOM 0 HD12 ILE A 12 5.628 11.603 -15.966 1.00 0.00 H new ATOM 0 HD13 ILE A 12 4.421 12.409 -14.936 1.00 0.00 H new ATOM 163 N GLN A 13 4.687 17.041 -16.327 1.00 0.00 N ATOM 164 CA GLN A 13 4.582 18.366 -16.916 1.00 0.00 C ATOM 165 C GLN A 13 4.474 19.426 -15.817 1.00 0.00 C ATOM 166 O GLN A 13 5.465 20.065 -15.468 1.00 0.00 O ATOM 167 CB GLN A 13 3.395 18.447 -17.876 1.00 0.00 C ATOM 168 CG GLN A 13 3.705 17.735 -19.194 1.00 0.00 C ATOM 169 CD GLN A 13 3.961 18.743 -20.316 1.00 0.00 C ATOM 170 OE1 GLN A 13 4.614 19.758 -20.136 1.00 0.00 O ATOM 171 NE2 GLN A 13 3.411 18.409 -21.479 1.00 0.00 N ATOM 0 H GLN A 13 3.989 16.373 -16.654 1.00 0.00 H new ATOM 0 HA GLN A 13 5.486 18.560 -17.494 1.00 0.00 H new ATOM 0 HB2 GLN A 13 2.517 17.996 -17.413 1.00 0.00 H new ATOM 0 HB3 GLN A 13 3.152 19.491 -18.071 1.00 0.00 H new ATOM 0 HG2 GLN A 13 4.579 17.095 -19.069 1.00 0.00 H new ATOM 0 HG3 GLN A 13 2.872 17.087 -19.466 1.00 0.00 H new ATOM 0 HE21 GLN A 13 2.876 17.544 -21.561 1.00 0.00 H new ATOM 0 HE22 GLN A 13 3.524 19.018 -22.290 1.00 0.00 H new ATOM 180 N LYS A 14 3.262 19.581 -15.307 1.00 0.00 N ATOM 181 CA LYS A 14 3.011 20.553 -14.255 1.00 0.00 C ATOM 182 C LYS A 14 4.113 20.452 -13.200 1.00 0.00 C ATOM 183 O LYS A 14 4.404 21.425 -12.506 1.00 0.00 O ATOM 184 CB LYS A 14 1.601 20.379 -13.690 1.00 0.00 C ATOM 185 CG LYS A 14 1.419 18.983 -13.091 1.00 0.00 C ATOM 186 CD LYS A 14 -0.060 18.591 -13.054 1.00 0.00 C ATOM 187 CE LYS A 14 -0.372 17.741 -11.821 1.00 0.00 C ATOM 188 NZ LYS A 14 -0.952 18.578 -10.747 1.00 0.00 N ATOM 0 H LYS A 14 2.442 19.050 -15.602 1.00 0.00 H new ATOM 0 HA LYS A 14 3.045 21.566 -14.656 1.00 0.00 H new ATOM 0 HB2 LYS A 14 1.416 21.134 -12.926 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.867 20.538 -14.480 1.00 0.00 H new ATOM 0 HG2 LYS A 14 1.977 18.255 -13.680 1.00 0.00 H new ATOM 0 HG3 LYS A 14 1.830 18.960 -12.082 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.678 19.489 -13.047 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.315 18.036 -13.957 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.069 16.946 -12.087 1.00 0.00 H new ATOM 0 HE3 LYS A 14 0.539 17.260 -11.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.158 17.985 -9.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.274 19.321 -10.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.832 19.017 -11.086 1.00 0.00 H new ATOM 202 N HIS A 15 4.699 19.267 -13.112 1.00 0.00 N ATOM 203 CA HIS A 15 5.763 19.027 -12.153 1.00 0.00 C ATOM 204 C HIS A 15 7.120 19.228 -12.830 1.00 0.00 C ATOM 205 O HIS A 15 8.027 18.414 -12.664 1.00 0.00 O ATOM 206 CB HIS A 15 5.618 17.643 -11.516 1.00 0.00 C ATOM 207 CG HIS A 15 4.339 17.458 -10.735 1.00 0.00 C ATOM 208 ND1 HIS A 15 3.972 18.288 -9.689 1.00 0.00 N ATOM 209 CD2 HIS A 15 3.346 16.531 -10.857 1.00 0.00 C ATOM 210 CE1 HIS A 15 2.810 17.870 -9.211 1.00 0.00 C ATOM 211 NE2 HIS A 15 2.424 16.781 -9.935 1.00 0.00 N ATOM 0 H HIS A 15 4.457 18.462 -13.690 1.00 0.00 H new ATOM 0 HA HIS A 15 5.692 19.748 -11.338 1.00 0.00 H new ATOM 0 HB2 HIS A 15 5.666 16.887 -12.300 1.00 0.00 H new ATOM 0 HB3 HIS A 15 6.465 17.469 -10.853 1.00 0.00 H new ATOM 0 HD2 HIS A 15 3.315 15.730 -11.581 1.00 0.00 H new ATOM 0 HE1 HIS A 15 2.264 18.314 -8.392 1.00 0.00 H new ATOM 0 HE2 HIS A 15 1.567 16.246 -9.792 1.00 0.00 H new ATOM 219 N LYS A 16 7.216 20.316 -13.580 1.00 0.00 N ATOM 220 CA LYS A 16 8.447 20.635 -14.284 1.00 0.00 C ATOM 221 C LYS A 16 9.102 21.853 -13.630 1.00 0.00 C ATOM 222 O LYS A 16 9.834 22.594 -14.283 1.00 0.00 O ATOM 223 CB LYS A 16 8.178 20.809 -15.780 1.00 0.00 C ATOM 224 CG LYS A 16 9.487 20.838 -16.571 1.00 0.00 C ATOM 225 CD LYS A 16 9.336 21.665 -17.851 1.00 0.00 C ATOM 226 CE LYS A 16 10.285 22.867 -17.841 1.00 0.00 C ATOM 227 NZ LYS A 16 9.542 24.115 -18.121 1.00 0.00 N ATOM 0 H LYS A 16 6.461 20.988 -13.716 1.00 0.00 H new ATOM 0 HA LYS A 16 9.156 19.811 -14.205 1.00 0.00 H new ATOM 0 HB2 LYS A 16 7.550 19.993 -16.138 1.00 0.00 H new ATOM 0 HB3 LYS A 16 7.626 21.733 -15.949 1.00 0.00 H new ATOM 0 HG2 LYS A 16 10.280 21.259 -15.953 1.00 0.00 H new ATOM 0 HG3 LYS A 16 9.786 19.821 -16.824 1.00 0.00 H new ATOM 0 HD2 LYS A 16 9.544 21.040 -18.719 1.00 0.00 H new ATOM 0 HD3 LYS A 16 8.307 22.010 -17.946 1.00 0.00 H new ATOM 0 HE2 LYS A 16 10.779 22.940 -16.872 1.00 0.00 H new ATOM 0 HE3 LYS A 16 11.067 22.727 -18.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 10.200 24.920 -18.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 9.091 24.048 -19.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 8.812 24.255 -17.394 1.00 0.00 H new ATOM 241 N ASP A 17 8.816 22.021 -12.348 1.00 0.00 N ATOM 242 CA ASP A 17 9.368 23.136 -11.598 1.00 0.00 C ATOM 243 C ASP A 17 10.153 22.600 -10.398 1.00 0.00 C ATOM 244 O ASP A 17 10.076 21.414 -10.082 1.00 0.00 O ATOM 245 CB ASP A 17 8.259 24.048 -11.067 1.00 0.00 C ATOM 246 CG ASP A 17 7.092 23.322 -10.393 1.00 0.00 C ATOM 247 OD1 ASP A 17 7.377 22.507 -9.490 1.00 0.00 O ATOM 248 OD2 ASP A 17 5.942 23.599 -10.797 1.00 0.00 O ATOM 0 H ASP A 17 8.209 21.403 -11.809 1.00 0.00 H new ATOM 0 HA ASP A 17 10.013 23.705 -12.268 1.00 0.00 H new ATOM 0 HB2 ASP A 17 8.695 24.746 -10.352 1.00 0.00 H new ATOM 0 HB3 ASP A 17 7.869 24.641 -11.895 1.00 0.00 H new ATOM 253 N SER A 18 10.889 23.501 -9.764 1.00 0.00 N ATOM 254 CA SER A 18 11.687 23.132 -8.607 1.00 0.00 C ATOM 255 C SER A 18 10.798 22.490 -7.541 1.00 0.00 C ATOM 256 O SER A 18 11.125 21.430 -7.010 1.00 0.00 O ATOM 257 CB SER A 18 12.413 24.349 -8.029 1.00 0.00 C ATOM 258 OG SER A 18 13.824 24.267 -8.214 1.00 0.00 O ATOM 0 H SER A 18 10.950 24.484 -10.029 1.00 0.00 H new ATOM 0 HA SER A 18 12.439 22.411 -8.926 1.00 0.00 H new ATOM 0 HB2 SER A 18 12.037 25.255 -8.505 1.00 0.00 H new ATOM 0 HB3 SER A 18 12.191 24.432 -6.965 1.00 0.00 H new ATOM 0 HG SER A 18 14.251 25.063 -7.833 1.00 0.00 H new ATOM 264 N LYS A 19 9.690 23.159 -7.258 1.00 0.00 N ATOM 265 CA LYS A 19 8.751 22.667 -6.265 1.00 0.00 C ATOM 266 C LYS A 19 8.604 21.151 -6.415 1.00 0.00 C ATOM 267 O LYS A 19 8.746 20.411 -5.442 1.00 0.00 O ATOM 268 CB LYS A 19 7.425 23.425 -6.358 1.00 0.00 C ATOM 269 CG LYS A 19 6.889 23.766 -4.966 1.00 0.00 C ATOM 270 CD LYS A 19 6.242 25.152 -4.953 1.00 0.00 C ATOM 271 CE LYS A 19 4.872 25.124 -5.634 1.00 0.00 C ATOM 272 NZ LYS A 19 3.974 26.137 -5.034 1.00 0.00 N ATOM 0 H LYS A 19 9.422 24.038 -7.700 1.00 0.00 H new ATOM 0 HA LYS A 19 9.128 22.854 -5.260 1.00 0.00 H new ATOM 0 HB2 LYS A 19 7.565 24.341 -6.932 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.694 22.821 -6.895 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.159 23.017 -4.660 1.00 0.00 H new ATOM 0 HG3 LYS A 19 7.702 23.733 -4.241 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.134 25.497 -3.925 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.891 25.865 -5.462 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.986 25.316 -6.701 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.430 24.133 -5.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 3.049 26.105 -5.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.852 25.936 -4.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.390 27.083 -5.151 1.00 0.00 H new ATOM 286 N SER A 20 8.323 20.734 -7.640 1.00 0.00 N ATOM 287 CA SER A 20 8.156 19.320 -7.930 1.00 0.00 C ATOM 288 C SER A 20 8.836 18.974 -9.256 1.00 0.00 C ATOM 289 O SER A 20 8.235 19.117 -10.321 1.00 0.00 O ATOM 290 CB SER A 20 6.676 18.938 -7.976 1.00 0.00 C ATOM 291 OG SER A 20 6.131 18.751 -6.673 1.00 0.00 O ATOM 0 H SER A 20 8.207 21.351 -8.444 1.00 0.00 H new ATOM 0 HA SER A 20 8.625 18.749 -7.129 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.117 19.717 -8.494 1.00 0.00 H new ATOM 0 HB3 SER A 20 6.556 18.022 -8.554 1.00 0.00 H new ATOM 0 HG SER A 20 5.184 18.510 -6.746 1.00 0.00 H new ATOM 297 N THR A 21 10.077 18.525 -9.149 1.00 0.00 N ATOM 298 CA THR A 21 10.844 18.158 -10.327 1.00 0.00 C ATOM 299 C THR A 21 10.765 16.649 -10.567 1.00 0.00 C ATOM 300 O THR A 21 11.277 15.863 -9.770 1.00 0.00 O ATOM 301 CB THR A 21 12.274 18.669 -10.139 1.00 0.00 C ATOM 302 OG1 THR A 21 12.206 20.041 -10.518 1.00 0.00 O ATOM 303 CG2 THR A 21 13.253 18.054 -11.142 1.00 0.00 C ATOM 0 H THR A 21 10.571 18.407 -8.264 1.00 0.00 H new ATOM 0 HA THR A 21 10.434 18.620 -11.225 1.00 0.00 H new ATOM 0 HB THR A 21 12.607 18.448 -9.125 1.00 0.00 H new ATOM 0 HG1 THR A 21 11.268 20.304 -10.629 1.00 0.00 H new ATOM 0 HG21 THR A 21 14.253 18.450 -10.965 1.00 0.00 H new ATOM 0 HG22 THR A 21 13.265 16.971 -11.021 1.00 0.00 H new ATOM 0 HG23 THR A 21 12.939 18.302 -12.156 1.00 0.00 H new ATOM 311 N TRP A 22 10.120 16.289 -11.666 1.00 0.00 N ATOM 312 CA TRP A 22 9.967 14.887 -12.019 1.00 0.00 C ATOM 313 C TRP A 22 10.665 14.660 -13.361 1.00 0.00 C ATOM 314 O TRP A 22 10.850 15.596 -14.136 1.00 0.00 O ATOM 315 CB TRP A 22 8.491 14.484 -12.038 1.00 0.00 C ATOM 316 CG TRP A 22 7.960 14.008 -10.684 1.00 0.00 C ATOM 317 CD1 TRP A 22 8.459 14.259 -9.467 1.00 0.00 C ATOM 318 CD2 TRP A 22 6.797 13.181 -10.460 1.00 0.00 C ATOM 319 NE1 TRP A 22 7.707 13.657 -8.478 1.00 0.00 N ATOM 320 CE2 TRP A 22 6.665 12.982 -9.101 1.00 0.00 C ATOM 321 CE3 TRP A 22 5.889 12.621 -11.375 1.00 0.00 C ATOM 322 CZ2 TRP A 22 5.635 12.220 -8.536 1.00 0.00 C ATOM 323 CZ3 TRP A 22 4.865 11.864 -10.794 1.00 0.00 C ATOM 324 CH2 TRP A 22 4.718 11.653 -9.428 1.00 0.00 C ATOM 0 H TRP A 22 9.697 16.943 -12.324 1.00 0.00 H new ATOM 0 HA TRP A 22 10.434 14.247 -11.270 1.00 0.00 H new ATOM 0 HB2 TRP A 22 7.897 15.335 -12.371 1.00 0.00 H new ATOM 0 HB3 TRP A 22 8.351 13.690 -12.772 1.00 0.00 H new ATOM 0 HD1 TRP A 22 9.339 14.857 -9.282 1.00 0.00 H new ATOM 0 HE1 TRP A 22 7.884 13.700 -7.474 1.00 0.00 H new ATOM 0 HE3 TRP A 22 5.975 12.764 -12.442 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 5.553 12.077 -7.469 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 4.138 11.412 -11.453 1.00 0.00 H new ATOM 0 HH2 TRP A 22 3.900 11.054 -9.057 1.00 0.00 H new ATOM 335 N VAL A 23 11.035 13.409 -13.595 1.00 0.00 N ATOM 336 CA VAL A 23 11.708 13.046 -14.830 1.00 0.00 C ATOM 337 C VAL A 23 11.533 11.546 -15.080 1.00 0.00 C ATOM 338 O VAL A 23 12.004 10.724 -14.297 1.00 0.00 O ATOM 339 CB VAL A 23 13.177 13.473 -14.769 1.00 0.00 C ATOM 340 CG1 VAL A 23 13.846 12.961 -13.493 1.00 0.00 C ATOM 341 CG2 VAL A 23 13.936 13.004 -16.013 1.00 0.00 C ATOM 0 H VAL A 23 10.881 12.634 -12.950 1.00 0.00 H new ATOM 0 HA VAL A 23 11.264 13.571 -15.676 1.00 0.00 H new ATOM 0 HB VAL A 23 13.208 14.562 -14.748 1.00 0.00 H new ATOM 0 HG11 VAL A 23 14.888 13.279 -13.476 1.00 0.00 H new ATOM 0 HG12 VAL A 23 13.329 13.366 -12.623 1.00 0.00 H new ATOM 0 HG13 VAL A 23 13.798 11.872 -13.469 1.00 0.00 H new ATOM 0 HG21 VAL A 23 14.977 13.320 -15.945 1.00 0.00 H new ATOM 0 HG22 VAL A 23 13.890 11.917 -16.079 1.00 0.00 H new ATOM 0 HG23 VAL A 23 13.482 13.441 -16.902 1.00 0.00 H new ATOM 351 N ILE A 24 10.853 11.238 -16.174 1.00 0.00 N ATOM 352 CA ILE A 24 10.608 9.852 -16.538 1.00 0.00 C ATOM 353 C ILE A 24 11.942 9.165 -16.833 1.00 0.00 C ATOM 354 O ILE A 24 12.611 9.492 -17.812 1.00 0.00 O ATOM 355 CB ILE A 24 9.606 9.770 -17.690 1.00 0.00 C ATOM 356 CG1 ILE A 24 8.278 10.428 -17.311 1.00 0.00 C ATOM 357 CG2 ILE A 24 9.417 8.322 -18.150 1.00 0.00 C ATOM 358 CD1 ILE A 24 7.740 11.279 -18.462 1.00 0.00 C ATOM 0 H ILE A 24 10.464 11.924 -16.821 1.00 0.00 H new ATOM 0 HA ILE A 24 10.148 9.315 -15.708 1.00 0.00 H new ATOM 0 HB ILE A 24 10.011 10.327 -18.535 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.549 9.661 -17.050 1.00 0.00 H new ATOM 0 HG13 ILE A 24 8.416 11.051 -16.427 1.00 0.00 H new ATOM 0 HG21 ILE A 24 8.700 8.291 -18.970 1.00 0.00 H new ATOM 0 HG22 ILE A 24 10.372 7.920 -18.488 1.00 0.00 H new ATOM 0 HG23 ILE A 24 9.045 7.722 -17.320 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.795 11.735 -18.166 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.460 12.060 -18.704 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.580 10.649 -19.337 1.00 0.00 H new ATOM 370 N LEU A 25 12.290 8.223 -15.967 1.00 0.00 N ATOM 371 CA LEU A 25 13.533 7.486 -16.123 1.00 0.00 C ATOM 372 C LEU A 25 13.222 5.995 -16.265 1.00 0.00 C ATOM 373 O LEU A 25 12.622 5.394 -15.374 1.00 0.00 O ATOM 374 CB LEU A 25 14.494 7.807 -14.976 1.00 0.00 C ATOM 375 CG LEU A 25 15.739 8.614 -15.350 1.00 0.00 C ATOM 376 CD1 LEU A 25 15.379 9.784 -16.265 1.00 0.00 C ATOM 377 CD2 LEU A 25 16.492 9.072 -14.099 1.00 0.00 C ATOM 0 H LEU A 25 11.733 7.954 -15.156 1.00 0.00 H new ATOM 0 HA LEU A 25 14.046 7.794 -17.034 1.00 0.00 H new ATOM 0 HB2 LEU A 25 13.945 8.357 -14.212 1.00 0.00 H new ATOM 0 HB3 LEU A 25 14.816 6.869 -14.524 1.00 0.00 H new ATOM 0 HG LEU A 25 16.412 7.965 -15.910 1.00 0.00 H new ATOM 0 HD11 LEU A 25 16.282 10.341 -16.516 1.00 0.00 H new ATOM 0 HD12 LEU A 25 14.922 9.404 -17.179 1.00 0.00 H new ATOM 0 HD13 LEU A 25 14.676 10.443 -15.754 1.00 0.00 H new ATOM 0 HD21 LEU A 25 17.372 9.643 -14.393 1.00 0.00 H new ATOM 0 HD22 LEU A 25 15.840 9.698 -13.491 1.00 0.00 H new ATOM 0 HD23 LEU A 25 16.801 8.201 -13.521 1.00 0.00 H new ATOM 389 N HIS A 26 13.642 5.440 -17.392 1.00 0.00 N ATOM 390 CA HIS A 26 13.416 4.030 -17.662 1.00 0.00 C ATOM 391 C HIS A 26 12.017 3.635 -17.187 1.00 0.00 C ATOM 392 O HIS A 26 11.863 2.695 -16.410 1.00 0.00 O ATOM 393 CB HIS A 26 14.518 3.173 -17.036 1.00 0.00 C ATOM 394 CG HIS A 26 15.870 3.845 -16.993 1.00 0.00 C ATOM 395 ND1 HIS A 26 16.127 4.963 -16.219 1.00 0.00 N ATOM 396 CD2 HIS A 26 17.036 3.546 -17.636 1.00 0.00 C ATOM 397 CE1 HIS A 26 17.392 5.313 -16.395 1.00 0.00 C ATOM 398 NE2 HIS A 26 17.953 4.434 -17.274 1.00 0.00 N ATOM 0 H HIS A 26 14.138 5.941 -18.129 1.00 0.00 H new ATOM 0 HA HIS A 26 13.462 3.850 -18.736 1.00 0.00 H new ATOM 0 HB2 HIS A 26 14.224 2.906 -16.021 1.00 0.00 H new ATOM 0 HB3 HIS A 26 14.604 2.243 -17.598 1.00 0.00 H new ATOM 0 HD1 HIS A 26 15.456 5.437 -15.615 1.00 0.00 H new ATOM 0 HD2 HIS A 26 17.187 2.726 -18.323 1.00 0.00 H new ATOM 0 HE1 HIS A 26 17.891 6.147 -15.925 1.00 0.00 H new ATOM 406 N HIS A 27 11.031 4.373 -17.677 1.00 0.00 N ATOM 407 CA HIS A 27 9.649 4.111 -17.313 1.00 0.00 C ATOM 408 C HIS A 27 9.497 4.178 -15.792 1.00 0.00 C ATOM 409 O HIS A 27 8.943 3.267 -15.179 1.00 0.00 O ATOM 410 CB HIS A 27 9.176 2.779 -17.898 1.00 0.00 C ATOM 411 CG HIS A 27 9.596 2.552 -19.330 1.00 0.00 C ATOM 412 ND1 HIS A 27 9.987 1.315 -19.811 1.00 0.00 N ATOM 413 CD2 HIS A 27 9.681 3.418 -20.381 1.00 0.00 C ATOM 414 CE1 HIS A 27 10.293 1.442 -21.094 1.00 0.00 C ATOM 415 NE2 HIS A 27 10.103 2.746 -21.445 1.00 0.00 N ATOM 0 H HIS A 27 11.162 5.152 -18.323 1.00 0.00 H new ATOM 0 HA HIS A 27 9.005 4.879 -17.742 1.00 0.00 H new ATOM 0 HB2 HIS A 27 9.564 1.966 -17.284 1.00 0.00 H new ATOM 0 HB3 HIS A 27 8.089 2.733 -17.838 1.00 0.00 H new ATOM 0 HD2 HIS A 27 9.445 4.471 -20.352 1.00 0.00 H new ATOM 0 HE1 HIS A 27 10.633 0.652 -21.747 1.00 0.00 H new ATOM 0 HE2 HIS A 27 10.259 3.140 -22.373 1.00 0.00 H new ATOM 423 N LYS A 28 10.000 5.266 -15.226 1.00 0.00 N ATOM 424 CA LYS A 28 9.926 5.464 -13.789 1.00 0.00 C ATOM 425 C LYS A 28 10.353 6.894 -13.453 1.00 0.00 C ATOM 426 O LYS A 28 11.543 7.209 -13.458 1.00 0.00 O ATOM 427 CB LYS A 28 10.740 4.393 -13.059 1.00 0.00 C ATOM 428 CG LYS A 28 9.899 3.707 -11.979 1.00 0.00 C ATOM 429 CD LYS A 28 9.719 2.219 -12.287 1.00 0.00 C ATOM 430 CE LYS A 28 10.094 1.360 -11.078 1.00 0.00 C ATOM 431 NZ LYS A 28 10.506 0.007 -11.511 1.00 0.00 N ATOM 0 H LYS A 28 10.460 6.019 -15.737 1.00 0.00 H new ATOM 0 HA LYS A 28 8.900 5.346 -13.440 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.096 3.651 -13.774 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.621 4.847 -12.605 1.00 0.00 H new ATOM 0 HG2 LYS A 28 10.380 3.825 -11.008 1.00 0.00 H new ATOM 0 HG3 LYS A 28 8.924 4.189 -11.912 1.00 0.00 H new ATOM 0 HD2 LYS A 28 8.684 2.025 -12.569 1.00 0.00 H new ATOM 0 HD3 LYS A 28 10.339 1.943 -13.140 1.00 0.00 H new ATOM 0 HE2 LYS A 28 10.905 1.834 -10.525 1.00 0.00 H new ATOM 0 HE3 LYS A 28 9.245 1.288 -10.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 10.757 -0.563 -10.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.721 -0.449 -12.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 11.330 0.080 -12.141 1.00 0.00 H new ATOM 445 N VAL A 29 9.359 7.724 -13.171 1.00 0.00 N ATOM 446 CA VAL A 29 9.617 9.114 -12.834 1.00 0.00 C ATOM 447 C VAL A 29 10.483 9.176 -11.573 1.00 0.00 C ATOM 448 O VAL A 29 10.312 8.373 -10.658 1.00 0.00 O ATOM 449 CB VAL A 29 8.295 9.870 -12.688 1.00 0.00 C ATOM 450 CG1 VAL A 29 7.396 9.642 -13.905 1.00 0.00 C ATOM 451 CG2 VAL A 29 7.577 9.477 -11.396 1.00 0.00 C ATOM 0 H VAL A 29 8.374 7.461 -13.169 1.00 0.00 H new ATOM 0 HA VAL A 29 10.171 9.605 -13.634 1.00 0.00 H new ATOM 0 HB VAL A 29 8.523 10.934 -12.634 1.00 0.00 H new ATOM 0 HG11 VAL A 29 6.463 10.190 -13.776 1.00 0.00 H new ATOM 0 HG12 VAL A 29 7.903 9.995 -14.803 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.181 8.578 -14.004 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.641 10.029 -11.318 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.368 8.407 -11.407 1.00 0.00 H new ATOM 0 HG23 VAL A 29 8.210 9.714 -10.541 1.00 0.00 H new ATOM 461 N TYR A 30 11.394 10.138 -11.567 1.00 0.00 N ATOM 462 CA TYR A 30 12.287 10.315 -10.435 1.00 0.00 C ATOM 463 C TYR A 30 12.064 11.675 -9.770 1.00 0.00 C ATOM 464 O TYR A 30 12.399 12.712 -10.340 1.00 0.00 O ATOM 465 CB TYR A 30 13.706 10.266 -11.005 1.00 0.00 C ATOM 466 CG TYR A 30 14.301 8.859 -11.073 1.00 0.00 C ATOM 467 CD1 TYR A 30 13.502 7.760 -10.834 1.00 0.00 C ATOM 468 CD2 TYR A 30 15.637 8.688 -11.373 1.00 0.00 C ATOM 469 CE1 TYR A 30 14.062 6.434 -10.897 1.00 0.00 C ATOM 470 CE2 TYR A 30 16.197 7.364 -11.437 1.00 0.00 C ATOM 471 CZ TYR A 30 15.382 6.302 -11.196 1.00 0.00 C ATOM 472 OH TYR A 30 15.911 5.050 -11.256 1.00 0.00 O ATOM 0 H TYR A 30 11.533 10.803 -12.328 1.00 0.00 H new ATOM 0 HA TYR A 30 12.112 9.545 -9.684 1.00 0.00 H new ATOM 0 HB2 TYR A 30 13.699 10.695 -12.007 1.00 0.00 H new ATOM 0 HB3 TYR A 30 14.354 10.894 -10.394 1.00 0.00 H new ATOM 0 HD1 TYR A 30 12.456 7.894 -10.600 1.00 0.00 H new ATOM 0 HD2 TYR A 30 16.263 9.548 -11.560 1.00 0.00 H new ATOM 0 HE1 TYR A 30 13.448 5.565 -10.711 1.00 0.00 H new ATOM 0 HE2 TYR A 30 17.241 7.217 -11.671 1.00 0.00 H new ATOM 0 HH TYR A 30 16.863 5.108 -11.480 1.00 0.00 H new ATOM 482 N ASP A 31 11.500 11.627 -8.572 1.00 0.00 N ATOM 483 CA ASP A 31 11.229 12.842 -7.823 1.00 0.00 C ATOM 484 C ASP A 31 12.513 13.310 -7.136 1.00 0.00 C ATOM 485 O ASP A 31 12.721 13.044 -5.953 1.00 0.00 O ATOM 486 CB ASP A 31 10.176 12.597 -6.740 1.00 0.00 C ATOM 487 CG ASP A 31 9.919 13.784 -5.808 1.00 0.00 C ATOM 488 OD1 ASP A 31 10.000 14.926 -6.308 1.00 0.00 O ATOM 489 OD2 ASP A 31 9.648 13.521 -4.617 1.00 0.00 O ATOM 0 H ASP A 31 11.223 10.765 -8.101 1.00 0.00 H new ATOM 0 HA ASP A 31 10.861 13.594 -8.521 1.00 0.00 H new ATOM 0 HB2 ASP A 31 9.238 12.323 -7.222 1.00 0.00 H new ATOM 0 HB3 ASP A 31 10.487 11.743 -6.139 1.00 0.00 H new ATOM 494 N LEU A 32 13.341 13.999 -7.908 1.00 0.00 N ATOM 495 CA LEU A 32 14.599 14.508 -7.389 1.00 0.00 C ATOM 496 C LEU A 32 14.439 15.988 -7.035 1.00 0.00 C ATOM 497 O LEU A 32 15.315 16.798 -7.331 1.00 0.00 O ATOM 498 CB LEU A 32 15.736 14.230 -8.375 1.00 0.00 C ATOM 499 CG LEU A 32 15.674 14.990 -9.701 1.00 0.00 C ATOM 500 CD1 LEU A 32 16.951 15.802 -9.929 1.00 0.00 C ATOM 501 CD2 LEU A 32 15.383 14.039 -10.865 1.00 0.00 C ATOM 0 H LEU A 32 13.165 14.217 -8.889 1.00 0.00 H new ATOM 0 HA LEU A 32 14.870 13.989 -6.470 1.00 0.00 H new ATOM 0 HB2 LEU A 32 16.681 14.468 -7.886 1.00 0.00 H new ATOM 0 HB3 LEU A 32 15.750 13.162 -8.591 1.00 0.00 H new ATOM 0 HG LEU A 32 14.848 15.699 -9.650 1.00 0.00 H new ATOM 0 HD11 LEU A 32 16.880 16.332 -10.879 1.00 0.00 H new ATOM 0 HD12 LEU A 32 17.074 16.522 -9.120 1.00 0.00 H new ATOM 0 HD13 LEU A 32 17.810 15.131 -9.951 1.00 0.00 H new ATOM 0 HD21 LEU A 32 15.344 14.605 -11.796 1.00 0.00 H new ATOM 0 HD22 LEU A 32 16.172 13.289 -10.928 1.00 0.00 H new ATOM 0 HD23 LEU A 32 14.425 13.545 -10.700 1.00 0.00 H new ATOM 513 N THR A 33 13.315 16.295 -6.405 1.00 0.00 N ATOM 514 CA THR A 33 13.030 17.662 -6.008 1.00 0.00 C ATOM 515 C THR A 33 14.100 18.171 -5.039 1.00 0.00 C ATOM 516 O THR A 33 14.630 19.266 -5.216 1.00 0.00 O ATOM 517 CB THR A 33 11.615 17.700 -5.425 1.00 0.00 C ATOM 518 OG1 THR A 33 10.794 17.189 -6.470 1.00 0.00 O ATOM 519 CG2 THR A 33 11.105 19.127 -5.214 1.00 0.00 C ATOM 0 H THR A 33 12.591 15.620 -6.160 1.00 0.00 H new ATOM 0 HA THR A 33 13.063 18.337 -6.863 1.00 0.00 H new ATOM 0 HB THR A 33 11.601 17.166 -4.475 1.00 0.00 H new ATOM 0 HG1 THR A 33 10.382 16.348 -6.181 1.00 0.00 H new ATOM 0 HG21 THR A 33 10.098 19.096 -4.799 1.00 0.00 H new ATOM 0 HG22 THR A 33 11.766 19.651 -4.524 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.088 19.652 -6.169 1.00 0.00 H new ATOM 527 N LYS A 34 14.384 17.351 -4.039 1.00 0.00 N ATOM 528 CA LYS A 34 15.382 17.704 -3.043 1.00 0.00 C ATOM 529 C LYS A 34 16.773 17.644 -3.677 1.00 0.00 C ATOM 530 O LYS A 34 17.619 18.495 -3.409 1.00 0.00 O ATOM 531 CB LYS A 34 15.234 16.823 -1.801 1.00 0.00 C ATOM 532 CG LYS A 34 13.759 16.578 -1.476 1.00 0.00 C ATOM 533 CD LYS A 34 13.400 15.100 -1.639 1.00 0.00 C ATOM 534 CE LYS A 34 12.086 14.937 -2.404 1.00 0.00 C ATOM 535 NZ LYS A 34 12.245 13.961 -3.505 1.00 0.00 N ATOM 0 H LYS A 34 13.941 16.443 -3.896 1.00 0.00 H new ATOM 0 HA LYS A 34 15.232 18.728 -2.700 1.00 0.00 H new ATOM 0 HB2 LYS A 34 15.737 15.870 -1.964 1.00 0.00 H new ATOM 0 HB3 LYS A 34 15.723 17.300 -0.952 1.00 0.00 H new ATOM 0 HG2 LYS A 34 13.550 16.896 -0.455 1.00 0.00 H new ATOM 0 HG3 LYS A 34 13.133 17.183 -2.132 1.00 0.00 H new ATOM 0 HD2 LYS A 34 14.200 14.584 -2.169 1.00 0.00 H new ATOM 0 HD3 LYS A 34 13.314 14.632 -0.658 1.00 0.00 H new ATOM 0 HE2 LYS A 34 11.302 14.603 -1.725 1.00 0.00 H new ATOM 0 HE3 LYS A 34 11.771 15.900 -2.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 11.314 13.581 -3.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 12.673 14.432 -4.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 12.860 13.183 -3.193 1.00 0.00 H new ATOM 549 N TYR A 35 16.967 16.629 -4.506 1.00 0.00 N ATOM 550 CA TYR A 35 18.240 16.447 -5.181 1.00 0.00 C ATOM 551 C TYR A 35 18.260 17.179 -6.524 1.00 0.00 C ATOM 552 O TYR A 35 18.994 16.796 -7.434 1.00 0.00 O ATOM 553 CB TYR A 35 18.374 14.943 -5.432 1.00 0.00 C ATOM 554 CG TYR A 35 19.689 14.537 -6.100 1.00 0.00 C ATOM 555 CD1 TYR A 35 20.825 14.359 -5.336 1.00 0.00 C ATOM 556 CD2 TYR A 35 19.741 14.350 -7.466 1.00 0.00 C ATOM 557 CE1 TYR A 35 22.063 13.978 -5.965 1.00 0.00 C ATOM 558 CE2 TYR A 35 20.978 13.968 -8.095 1.00 0.00 C ATOM 559 CZ TYR A 35 22.079 13.801 -7.313 1.00 0.00 C ATOM 560 OH TYR A 35 23.249 13.441 -7.907 1.00 0.00 O ATOM 0 H TYR A 35 16.263 15.924 -4.725 1.00 0.00 H new ATOM 0 HA TYR A 35 19.054 16.844 -4.575 1.00 0.00 H new ATOM 0 HB2 TYR A 35 18.284 14.417 -4.481 1.00 0.00 H new ATOM 0 HB3 TYR A 35 17.544 14.614 -6.058 1.00 0.00 H new ATOM 0 HD1 TYR A 35 20.785 14.505 -4.267 1.00 0.00 H new ATOM 0 HD2 TYR A 35 18.853 14.490 -8.064 1.00 0.00 H new ATOM 0 HE1 TYR A 35 22.959 13.836 -5.379 1.00 0.00 H new ATOM 0 HE2 TYR A 35 21.031 13.817 -9.163 1.00 0.00 H new ATOM 0 HH TYR A 35 23.786 12.913 -7.279 1.00 0.00 H new ATOM 570 N LEU A 36 17.446 18.221 -6.605 1.00 0.00 N ATOM 571 CA LEU A 36 17.359 19.011 -7.822 1.00 0.00 C ATOM 572 C LEU A 36 18.510 20.019 -7.852 1.00 0.00 C ATOM 573 O LEU A 36 19.221 20.125 -8.850 1.00 0.00 O ATOM 574 CB LEU A 36 15.976 19.652 -7.948 1.00 0.00 C ATOM 575 CG LEU A 36 15.812 20.677 -9.072 1.00 0.00 C ATOM 576 CD1 LEU A 36 16.530 21.985 -8.732 1.00 0.00 C ATOM 577 CD2 LEU A 36 16.275 20.100 -10.411 1.00 0.00 C ATOM 0 H LEU A 36 16.840 18.537 -5.847 1.00 0.00 H new ATOM 0 HA LEU A 36 17.469 18.374 -8.699 1.00 0.00 H new ATOM 0 HB2 LEU A 36 15.242 18.860 -8.096 1.00 0.00 H new ATOM 0 HB3 LEU A 36 15.735 20.137 -7.002 1.00 0.00 H new ATOM 0 HG LEU A 36 14.752 20.909 -9.170 1.00 0.00 H new ATOM 0 HD11 LEU A 36 16.397 22.696 -9.548 1.00 0.00 H new ATOM 0 HD12 LEU A 36 16.112 22.402 -7.816 1.00 0.00 H new ATOM 0 HD13 LEU A 36 17.593 21.790 -8.590 1.00 0.00 H new ATOM 0 HD21 LEU A 36 16.148 20.848 -11.193 1.00 0.00 H new ATOM 0 HD22 LEU A 36 17.327 19.821 -10.343 1.00 0.00 H new ATOM 0 HD23 LEU A 36 15.681 19.219 -10.652 1.00 0.00 H new ATOM 589 N GLU A 37 18.658 20.734 -6.746 1.00 0.00 N ATOM 590 CA GLU A 37 19.709 21.730 -6.634 1.00 0.00 C ATOM 591 C GLU A 37 20.981 21.097 -6.064 1.00 0.00 C ATOM 592 O GLU A 37 22.028 21.740 -6.010 1.00 0.00 O ATOM 593 CB GLU A 37 19.255 22.913 -5.777 1.00 0.00 C ATOM 594 CG GLU A 37 19.020 22.482 -4.327 1.00 0.00 C ATOM 595 CD GLU A 37 19.381 23.608 -3.355 1.00 0.00 C ATOM 596 OE1 GLU A 37 20.575 23.976 -3.332 1.00 0.00 O ATOM 597 OE2 GLU A 37 18.454 24.074 -2.658 1.00 0.00 O ATOM 0 H GLU A 37 18.067 20.643 -5.920 1.00 0.00 H new ATOM 0 HA GLU A 37 19.930 22.110 -7.631 1.00 0.00 H new ATOM 0 HB2 GLU A 37 20.009 23.700 -5.809 1.00 0.00 H new ATOM 0 HB3 GLU A 37 18.337 23.334 -6.188 1.00 0.00 H new ATOM 0 HG2 GLU A 37 17.975 22.201 -4.192 1.00 0.00 H new ATOM 0 HG3 GLU A 37 19.619 21.599 -4.105 1.00 0.00 H new ATOM 604 N GLU A 38 20.848 19.843 -5.656 1.00 0.00 N ATOM 605 CA GLU A 38 21.973 19.117 -5.093 1.00 0.00 C ATOM 606 C GLU A 38 22.774 18.436 -6.205 1.00 0.00 C ATOM 607 O GLU A 38 23.954 18.134 -6.030 1.00 0.00 O ATOM 608 CB GLU A 38 21.503 18.099 -4.053 1.00 0.00 C ATOM 609 CG GLU A 38 22.086 18.415 -2.674 1.00 0.00 C ATOM 610 CD GLU A 38 21.984 17.204 -1.745 1.00 0.00 C ATOM 611 OE1 GLU A 38 22.468 16.128 -2.160 1.00 0.00 O ATOM 612 OE2 GLU A 38 21.424 17.379 -0.641 1.00 0.00 O ATOM 0 H GLU A 38 19.978 19.312 -5.704 1.00 0.00 H new ATOM 0 HA GLU A 38 22.624 19.829 -4.587 1.00 0.00 H new ATOM 0 HB2 GLU A 38 20.414 18.103 -4.001 1.00 0.00 H new ATOM 0 HB3 GLU A 38 21.804 17.097 -4.358 1.00 0.00 H new ATOM 0 HG2 GLU A 38 23.130 18.713 -2.776 1.00 0.00 H new ATOM 0 HG3 GLU A 38 21.555 19.260 -2.236 1.00 0.00 H new ATOM 619 N HIS A 39 22.101 18.212 -7.324 1.00 0.00 N ATOM 620 CA HIS A 39 22.735 17.570 -8.463 1.00 0.00 C ATOM 621 C HIS A 39 24.060 18.269 -8.773 1.00 0.00 C ATOM 622 O HIS A 39 24.099 19.488 -8.942 1.00 0.00 O ATOM 623 CB HIS A 39 21.787 17.537 -9.664 1.00 0.00 C ATOM 624 CG HIS A 39 22.157 16.512 -10.710 1.00 0.00 C ATOM 625 ND1 HIS A 39 22.094 16.770 -12.068 1.00 0.00 N ATOM 626 CD2 HIS A 39 22.595 15.227 -10.582 1.00 0.00 C ATOM 627 CE1 HIS A 39 22.477 15.682 -12.719 1.00 0.00 C ATOM 628 NE2 HIS A 39 22.787 14.726 -11.796 1.00 0.00 N ATOM 0 H HIS A 39 21.123 18.464 -7.466 1.00 0.00 H new ATOM 0 HA HIS A 39 22.960 16.531 -8.222 1.00 0.00 H new ATOM 0 HB2 HIS A 39 20.776 17.332 -9.311 1.00 0.00 H new ATOM 0 HB3 HIS A 39 21.769 18.524 -10.127 1.00 0.00 H new ATOM 0 HD1 HIS A 39 21.802 17.649 -12.495 1.00 0.00 H new ATOM 0 HD2 HIS A 39 22.758 14.705 -9.651 1.00 0.00 H new ATOM 0 HE1 HIS A 39 22.534 15.571 -13.792 1.00 0.00 H new ATOM 636 N PRO A 40 25.141 17.447 -8.840 1.00 0.00 N ATOM 637 CA PRO A 40 26.465 17.974 -9.127 1.00 0.00 C ATOM 638 C PRO A 40 26.603 18.333 -10.608 1.00 0.00 C ATOM 639 O PRO A 40 27.367 19.229 -10.963 1.00 0.00 O ATOM 640 CB PRO A 40 27.426 16.881 -8.689 1.00 0.00 C ATOM 641 CG PRO A 40 26.600 15.607 -8.608 1.00 0.00 C ATOM 642 CD PRO A 40 25.131 16.000 -8.646 1.00 0.00 C ATOM 0 HA PRO A 40 26.672 18.904 -8.597 1.00 0.00 H new ATOM 0 HB2 PRO A 40 28.244 16.772 -9.401 1.00 0.00 H new ATOM 0 HB3 PRO A 40 27.874 17.118 -7.724 1.00 0.00 H new ATOM 0 HG2 PRO A 40 26.839 14.944 -9.439 1.00 0.00 H new ATOM 0 HG3 PRO A 40 26.826 15.063 -7.691 1.00 0.00 H new ATOM 0 HD2 PRO A 40 24.607 15.495 -9.457 1.00 0.00 H new ATOM 0 HD3 PRO A 40 24.624 15.728 -7.720 1.00 0.00 H new ATOM 650 N GLY A 41 25.852 17.617 -11.430 1.00 0.00 N ATOM 651 CA GLY A 41 25.881 17.849 -12.865 1.00 0.00 C ATOM 652 C GLY A 41 25.309 19.226 -13.209 1.00 0.00 C ATOM 653 O GLY A 41 26.040 20.116 -13.640 1.00 0.00 O ATOM 0 H GLY A 41 25.219 16.875 -11.131 1.00 0.00 H new ATOM 0 HA2 GLY A 41 26.906 17.776 -13.228 1.00 0.00 H new ATOM 0 HA3 GLY A 41 25.307 17.075 -13.374 1.00 0.00 H new ATOM 657 N GLY A 42 24.007 19.357 -13.005 1.00 0.00 N ATOM 658 CA GLY A 42 23.328 20.610 -13.288 1.00 0.00 C ATOM 659 C GLY A 42 21.867 20.557 -12.835 1.00 0.00 C ATOM 660 O GLY A 42 21.253 19.492 -12.832 1.00 0.00 O ATOM 0 H GLY A 42 23.404 18.616 -12.647 1.00 0.00 H new ATOM 0 HA2 GLY A 42 23.840 21.428 -12.781 1.00 0.00 H new ATOM 0 HA3 GLY A 42 23.374 20.819 -14.357 1.00 0.00 H new ATOM 664 N GLU A 43 21.353 21.721 -12.465 1.00 0.00 N ATOM 665 CA GLU A 43 19.976 21.820 -12.012 1.00 0.00 C ATOM 666 C GLU A 43 19.037 22.003 -13.205 1.00 0.00 C ATOM 667 O GLU A 43 17.867 21.625 -13.143 1.00 0.00 O ATOM 668 CB GLU A 43 19.811 22.961 -11.005 1.00 0.00 C ATOM 669 CG GLU A 43 20.006 24.320 -11.679 1.00 0.00 C ATOM 670 CD GLU A 43 20.305 25.407 -10.644 1.00 0.00 C ATOM 671 OE1 GLU A 43 21.165 25.143 -9.777 1.00 0.00 O ATOM 672 OE2 GLU A 43 19.667 26.477 -10.745 1.00 0.00 O ATOM 0 H GLU A 43 21.865 22.603 -12.470 1.00 0.00 H new ATOM 0 HA GLU A 43 19.713 20.891 -11.506 1.00 0.00 H new ATOM 0 HB2 GLU A 43 18.819 22.913 -10.555 1.00 0.00 H new ATOM 0 HB3 GLU A 43 20.533 22.845 -10.197 1.00 0.00 H new ATOM 0 HG2 GLU A 43 20.825 24.260 -12.396 1.00 0.00 H new ATOM 0 HG3 GLU A 43 19.110 24.584 -12.240 1.00 0.00 H new ATOM 679 N GLU A 44 19.582 22.582 -14.265 1.00 0.00 N ATOM 680 CA GLU A 44 18.807 22.819 -15.471 1.00 0.00 C ATOM 681 C GLU A 44 18.630 21.516 -16.252 1.00 0.00 C ATOM 682 O GLU A 44 17.507 21.121 -16.562 1.00 0.00 O ATOM 683 CB GLU A 44 19.461 23.895 -16.340 1.00 0.00 C ATOM 684 CG GLU A 44 19.574 25.219 -15.580 1.00 0.00 C ATOM 685 CD GLU A 44 19.121 26.392 -16.451 1.00 0.00 C ATOM 686 OE1 GLU A 44 18.069 26.237 -17.108 1.00 0.00 O ATOM 687 OE2 GLU A 44 19.836 27.417 -16.440 1.00 0.00 O ATOM 0 H GLU A 44 20.552 22.894 -14.314 1.00 0.00 H new ATOM 0 HA GLU A 44 17.821 23.183 -15.181 1.00 0.00 H new ATOM 0 HB2 GLU A 44 20.452 23.564 -16.651 1.00 0.00 H new ATOM 0 HB3 GLU A 44 18.875 24.041 -17.247 1.00 0.00 H new ATOM 0 HG2 GLU A 44 18.966 25.177 -14.676 1.00 0.00 H new ATOM 0 HG3 GLU A 44 20.605 25.374 -15.263 1.00 0.00 H new ATOM 694 N VAL A 45 19.757 20.884 -16.550 1.00 0.00 N ATOM 695 CA VAL A 45 19.740 19.633 -17.290 1.00 0.00 C ATOM 696 C VAL A 45 18.575 18.771 -16.800 1.00 0.00 C ATOM 697 O VAL A 45 18.031 17.969 -17.557 1.00 0.00 O ATOM 698 CB VAL A 45 21.095 18.934 -17.167 1.00 0.00 C ATOM 699 CG1 VAL A 45 21.724 19.196 -15.796 1.00 0.00 C ATOM 700 CG2 VAL A 45 20.964 17.433 -17.432 1.00 0.00 C ATOM 0 H VAL A 45 20.687 21.215 -16.292 1.00 0.00 H new ATOM 0 HA VAL A 45 19.581 19.820 -18.352 1.00 0.00 H new ATOM 0 HB VAL A 45 21.757 19.351 -17.925 1.00 0.00 H new ATOM 0 HG11 VAL A 45 22.686 18.688 -15.734 1.00 0.00 H new ATOM 0 HG12 VAL A 45 21.870 20.268 -15.662 1.00 0.00 H new ATOM 0 HG13 VAL A 45 21.064 18.819 -15.015 1.00 0.00 H new ATOM 0 HG21 VAL A 45 21.942 16.960 -17.338 1.00 0.00 H new ATOM 0 HG22 VAL A 45 20.278 16.994 -16.708 1.00 0.00 H new ATOM 0 HG23 VAL A 45 20.579 17.274 -18.439 1.00 0.00 H new ATOM 710 N LEU A 46 18.228 18.965 -15.535 1.00 0.00 N ATOM 711 CA LEU A 46 17.138 18.215 -14.935 1.00 0.00 C ATOM 712 C LEU A 46 15.815 18.926 -15.224 1.00 0.00 C ATOM 713 O LEU A 46 14.908 18.343 -15.816 1.00 0.00 O ATOM 714 CB LEU A 46 17.401 17.987 -13.446 1.00 0.00 C ATOM 715 CG LEU A 46 18.859 17.747 -13.051 1.00 0.00 C ATOM 716 CD1 LEU A 46 19.115 18.179 -11.606 1.00 0.00 C ATOM 717 CD2 LEU A 46 19.260 16.290 -13.293 1.00 0.00 C ATOM 0 H LEU A 46 18.683 19.631 -14.910 1.00 0.00 H new ATOM 0 HA LEU A 46 17.070 17.222 -15.379 1.00 0.00 H new ATOM 0 HB2 LEU A 46 17.034 18.854 -12.896 1.00 0.00 H new ATOM 0 HB3 LEU A 46 16.811 17.130 -13.120 1.00 0.00 H new ATOM 0 HG LEU A 46 19.491 18.366 -13.688 1.00 0.00 H new ATOM 0 HD11 LEU A 46 20.159 17.997 -11.351 1.00 0.00 H new ATOM 0 HD12 LEU A 46 18.895 19.241 -11.499 1.00 0.00 H new ATOM 0 HD13 LEU A 46 18.473 17.607 -10.936 1.00 0.00 H new ATOM 0 HD21 LEU A 46 20.301 16.146 -13.004 1.00 0.00 H new ATOM 0 HD22 LEU A 46 18.624 15.634 -12.698 1.00 0.00 H new ATOM 0 HD23 LEU A 46 19.140 16.050 -14.350 1.00 0.00 H new ATOM 729 N ARG A 47 15.746 20.178 -14.795 1.00 0.00 N ATOM 730 CA ARG A 47 14.549 20.975 -15.000 1.00 0.00 C ATOM 731 C ARG A 47 14.272 21.142 -16.495 1.00 0.00 C ATOM 732 O ARG A 47 13.204 20.770 -16.977 1.00 0.00 O ATOM 733 CB ARG A 47 14.690 22.356 -14.357 1.00 0.00 C ATOM 734 CG ARG A 47 14.779 22.246 -12.834 1.00 0.00 C ATOM 735 CD ARG A 47 14.228 23.505 -12.160 1.00 0.00 C ATOM 736 NE ARG A 47 15.285 24.538 -12.078 1.00 0.00 N ATOM 737 CZ ARG A 47 15.083 25.786 -11.636 1.00 0.00 C ATOM 738 NH1 ARG A 47 13.863 26.165 -11.233 1.00 0.00 N ATOM 739 NH2 ARG A 47 16.102 26.657 -11.597 1.00 0.00 N ATOM 0 H ARG A 47 16.500 20.660 -14.306 1.00 0.00 H new ATOM 0 HA ARG A 47 13.717 20.451 -14.529 1.00 0.00 H new ATOM 0 HB2 ARG A 47 15.582 22.851 -14.742 1.00 0.00 H new ATOM 0 HB3 ARG A 47 13.837 22.977 -14.631 1.00 0.00 H new ATOM 0 HG2 ARG A 47 14.220 21.374 -12.496 1.00 0.00 H new ATOM 0 HG3 ARG A 47 15.817 22.095 -12.537 1.00 0.00 H new ATOM 0 HD2 ARG A 47 13.377 23.887 -12.724 1.00 0.00 H new ATOM 0 HD3 ARG A 47 13.865 23.264 -11.161 1.00 0.00 H new ATOM 0 HE ARG A 47 16.226 24.283 -12.377 1.00 0.00 H new ATOM 0 HH11 ARG A 47 13.088 25.503 -11.263 1.00 0.00 H new ATOM 0 HH12 ARG A 47 13.710 27.116 -10.896 1.00 0.00 H new ATOM 0 HH21 ARG A 47 17.031 26.369 -11.904 1.00 0.00 H new ATOM 0 HH22 ARG A 47 15.948 27.607 -11.260 1.00 0.00 H new ATOM 753 N GLU A 48 15.254 21.701 -17.187 1.00 0.00 N ATOM 754 CA GLU A 48 15.129 21.922 -18.618 1.00 0.00 C ATOM 755 C GLU A 48 14.298 20.807 -19.256 1.00 0.00 C ATOM 756 O GLU A 48 13.419 21.075 -20.074 1.00 0.00 O ATOM 757 CB GLU A 48 16.505 22.026 -19.279 1.00 0.00 C ATOM 758 CG GLU A 48 16.375 22.278 -20.782 1.00 0.00 C ATOM 759 CD GLU A 48 17.477 21.553 -21.558 1.00 0.00 C ATOM 760 OE1 GLU A 48 18.633 22.017 -21.468 1.00 0.00 O ATOM 761 OE2 GLU A 48 17.137 20.550 -22.221 1.00 0.00 O ATOM 0 H GLU A 48 16.139 22.007 -16.784 1.00 0.00 H new ATOM 0 HA GLU A 48 14.614 22.869 -18.776 1.00 0.00 H new ATOM 0 HB2 GLU A 48 17.073 22.835 -18.819 1.00 0.00 H new ATOM 0 HB3 GLU A 48 17.065 21.106 -19.108 1.00 0.00 H new ATOM 0 HG2 GLU A 48 15.399 21.939 -21.128 1.00 0.00 H new ATOM 0 HG3 GLU A 48 16.429 23.348 -20.981 1.00 0.00 H new ATOM 768 N GLN A 49 14.605 19.582 -18.859 1.00 0.00 N ATOM 769 CA GLN A 49 13.897 18.426 -19.382 1.00 0.00 C ATOM 770 C GLN A 49 13.449 17.515 -18.238 1.00 0.00 C ATOM 771 O GLN A 49 13.721 16.316 -18.251 1.00 0.00 O ATOM 772 CB GLN A 49 14.762 17.661 -20.385 1.00 0.00 C ATOM 773 CG GLN A 49 16.052 17.163 -19.729 1.00 0.00 C ATOM 774 CD GLN A 49 17.200 17.123 -20.741 1.00 0.00 C ATOM 775 OE1 GLN A 49 17.016 16.864 -21.918 1.00 0.00 O ATOM 776 NE2 GLN A 49 18.392 17.394 -20.215 1.00 0.00 N ATOM 0 H GLN A 49 15.335 19.364 -18.181 1.00 0.00 H new ATOM 0 HA GLN A 49 13.010 18.776 -19.910 1.00 0.00 H new ATOM 0 HB2 GLN A 49 14.202 16.815 -20.783 1.00 0.00 H new ATOM 0 HB3 GLN A 49 15.005 18.307 -21.229 1.00 0.00 H new ATOM 0 HG2 GLN A 49 16.317 17.816 -18.898 1.00 0.00 H new ATOM 0 HG3 GLN A 49 15.893 16.168 -19.314 1.00 0.00 H new ATOM 0 HE21 GLN A 49 18.475 17.603 -19.220 1.00 0.00 H new ATOM 0 HE22 GLN A 49 19.223 17.393 -20.807 1.00 0.00 H new ATOM 785 N ALA A 50 12.770 18.119 -17.273 1.00 0.00 N ATOM 786 CA ALA A 50 12.281 17.378 -16.123 1.00 0.00 C ATOM 787 C ALA A 50 11.076 16.533 -16.541 1.00 0.00 C ATOM 788 O ALA A 50 11.234 15.392 -16.976 1.00 0.00 O ATOM 789 CB ALA A 50 11.946 18.352 -14.991 1.00 0.00 C ATOM 0 H ALA A 50 12.547 19.114 -17.265 1.00 0.00 H new ATOM 0 HA ALA A 50 13.048 16.698 -15.751 1.00 0.00 H new ATOM 0 HB1 ALA A 50 11.579 17.795 -14.129 1.00 0.00 H new ATOM 0 HB2 ALA A 50 12.842 18.906 -14.711 1.00 0.00 H new ATOM 0 HB3 ALA A 50 11.178 19.049 -15.326 1.00 0.00 H new ATOM 795 N GLY A 51 9.900 17.123 -16.394 1.00 0.00 N ATOM 796 CA GLY A 51 8.669 16.439 -16.750 1.00 0.00 C ATOM 797 C GLY A 51 8.844 15.631 -18.038 1.00 0.00 C ATOM 798 O GLY A 51 8.221 14.584 -18.207 1.00 0.00 O ATOM 0 H GLY A 51 9.773 18.068 -16.033 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.369 15.776 -15.938 1.00 0.00 H new ATOM 0 HA3 GLY A 51 7.868 17.167 -16.879 1.00 0.00 H new ATOM 802 N GLY A 52 9.694 16.149 -18.913 1.00 0.00 N ATOM 803 CA GLY A 52 9.959 15.487 -20.180 1.00 0.00 C ATOM 804 C GLY A 52 10.533 14.087 -19.957 1.00 0.00 C ATOM 805 O GLY A 52 10.079 13.358 -19.076 1.00 0.00 O ATOM 0 H GLY A 52 10.208 17.019 -18.770 1.00 0.00 H new ATOM 0 HA2 GLY A 52 9.038 15.418 -20.758 1.00 0.00 H new ATOM 0 HA3 GLY A 52 10.659 16.082 -20.766 1.00 0.00 H new ATOM 809 N ASP A 53 11.522 13.752 -20.774 1.00 0.00 N ATOM 810 CA ASP A 53 12.163 12.451 -20.677 1.00 0.00 C ATOM 811 C ASP A 53 13.681 12.630 -20.727 1.00 0.00 C ATOM 812 O ASP A 53 14.233 12.993 -21.765 1.00 0.00 O ATOM 813 CB ASP A 53 11.754 11.548 -21.844 1.00 0.00 C ATOM 814 CG ASP A 53 12.268 11.993 -23.215 1.00 0.00 C ATOM 815 OD1 ASP A 53 11.996 13.159 -23.572 1.00 0.00 O ATOM 816 OD2 ASP A 53 12.919 11.155 -23.876 1.00 0.00 O ATOM 0 H ASP A 53 11.894 14.358 -21.505 1.00 0.00 H new ATOM 0 HA ASP A 53 11.853 11.991 -19.739 1.00 0.00 H new ATOM 0 HB2 ASP A 53 12.115 10.539 -21.647 1.00 0.00 H new ATOM 0 HB3 ASP A 53 10.666 11.496 -21.880 1.00 0.00 H new ATOM 821 N ALA A 54 14.313 12.366 -19.594 1.00 0.00 N ATOM 822 CA ALA A 54 15.757 12.495 -19.495 1.00 0.00 C ATOM 823 C ALA A 54 16.380 11.103 -19.364 1.00 0.00 C ATOM 824 O ALA A 54 17.445 10.950 -18.768 1.00 0.00 O ATOM 825 CB ALA A 54 16.110 13.404 -18.316 1.00 0.00 C ATOM 0 H ALA A 54 13.852 12.063 -18.736 1.00 0.00 H new ATOM 0 HA ALA A 54 16.164 12.956 -20.395 1.00 0.00 H new ATOM 0 HB1 ALA A 54 17.193 13.500 -18.242 1.00 0.00 H new ATOM 0 HB2 ALA A 54 15.668 14.388 -18.470 1.00 0.00 H new ATOM 0 HB3 ALA A 54 15.721 12.972 -17.394 1.00 0.00 H new ATOM 831 N THR A 55 15.690 10.125 -19.932 1.00 0.00 N ATOM 832 CA THR A 55 16.162 8.751 -19.885 1.00 0.00 C ATOM 833 C THR A 55 17.569 8.651 -20.478 1.00 0.00 C ATOM 834 O THR A 55 18.535 8.411 -19.757 1.00 0.00 O ATOM 835 CB THR A 55 15.135 7.875 -20.605 1.00 0.00 C ATOM 836 OG1 THR A 55 14.004 7.883 -19.738 1.00 0.00 O ATOM 837 CG2 THR A 55 15.555 6.404 -20.656 1.00 0.00 C ATOM 0 H THR A 55 14.808 10.256 -20.427 1.00 0.00 H new ATOM 0 HA THR A 55 16.250 8.397 -18.858 1.00 0.00 H new ATOM 0 HB THR A 55 14.988 8.246 -21.619 1.00 0.00 H new ATOM 0 HG1 THR A 55 14.047 8.666 -19.151 1.00 0.00 H new ATOM 0 HG21 THR A 55 14.792 5.826 -21.177 1.00 0.00 H new ATOM 0 HG22 THR A 55 16.503 6.315 -21.186 1.00 0.00 H new ATOM 0 HG23 THR A 55 15.669 6.023 -19.641 1.00 0.00 H new ATOM 845 N GLU A 56 17.639 8.839 -21.789 1.00 0.00 N ATOM 846 CA GLU A 56 18.911 8.773 -22.487 1.00 0.00 C ATOM 847 C GLU A 56 19.868 9.839 -21.950 1.00 0.00 C ATOM 848 O GLU A 56 21.068 9.598 -21.833 1.00 0.00 O ATOM 849 CB GLU A 56 18.716 8.922 -23.997 1.00 0.00 C ATOM 850 CG GLU A 56 17.910 7.751 -24.565 1.00 0.00 C ATOM 851 CD GLU A 56 16.481 8.180 -24.900 1.00 0.00 C ATOM 852 OE1 GLU A 56 15.893 8.899 -24.064 1.00 0.00 O ATOM 853 OE2 GLU A 56 16.009 7.781 -25.986 1.00 0.00 O ATOM 0 H GLU A 56 16.835 9.037 -22.385 1.00 0.00 H new ATOM 0 HA GLU A 56 19.352 7.793 -22.306 1.00 0.00 H new ATOM 0 HB2 GLU A 56 18.202 9.859 -24.210 1.00 0.00 H new ATOM 0 HB3 GLU A 56 19.687 8.972 -24.489 1.00 0.00 H new ATOM 0 HG2 GLU A 56 18.399 7.370 -25.462 1.00 0.00 H new ATOM 0 HG3 GLU A 56 17.889 6.935 -23.842 1.00 0.00 H new ATOM 860 N ASN A 57 19.300 10.994 -21.638 1.00 0.00 N ATOM 861 CA ASN A 57 20.088 12.099 -21.116 1.00 0.00 C ATOM 862 C ASN A 57 20.711 11.688 -19.780 1.00 0.00 C ATOM 863 O ASN A 57 21.730 12.240 -19.371 1.00 0.00 O ATOM 864 CB ASN A 57 19.214 13.330 -20.872 1.00 0.00 C ATOM 865 CG ASN A 57 19.224 14.260 -22.087 1.00 0.00 C ATOM 866 OD1 ASN A 57 19.982 15.213 -22.167 1.00 0.00 O ATOM 867 ND2 ASN A 57 18.343 13.930 -23.028 1.00 0.00 N ATOM 0 H ASN A 57 18.304 11.190 -21.736 1.00 0.00 H new ATOM 0 HA ASN A 57 20.857 12.342 -21.849 1.00 0.00 H new ATOM 0 HB2 ASN A 57 18.192 13.018 -20.657 1.00 0.00 H new ATOM 0 HB3 ASN A 57 19.574 13.868 -19.995 1.00 0.00 H new ATOM 0 HD21 ASN A 57 18.273 14.488 -23.879 1.00 0.00 H new ATOM 0 HD22 ASN A 57 17.738 13.119 -22.898 1.00 0.00 H new ATOM 874 N PHE A 58 20.070 10.722 -19.137 1.00 0.00 N ATOM 875 CA PHE A 58 20.549 10.232 -17.855 1.00 0.00 C ATOM 876 C PHE A 58 21.511 9.058 -18.044 1.00 0.00 C ATOM 877 O PHE A 58 22.518 8.957 -17.343 1.00 0.00 O ATOM 878 CB PHE A 58 19.324 9.752 -17.075 1.00 0.00 C ATOM 879 CG PHE A 58 19.635 8.685 -16.023 1.00 0.00 C ATOM 880 CD1 PHE A 58 19.879 7.403 -16.405 1.00 0.00 C ATOM 881 CD2 PHE A 58 19.668 9.019 -14.705 1.00 0.00 C ATOM 882 CE1 PHE A 58 20.168 6.414 -15.429 1.00 0.00 C ATOM 883 CE2 PHE A 58 19.958 8.030 -13.729 1.00 0.00 C ATOM 884 CZ PHE A 58 20.201 6.748 -14.111 1.00 0.00 C ATOM 0 H PHE A 58 19.224 10.266 -19.479 1.00 0.00 H new ATOM 0 HA PHE A 58 21.082 11.023 -17.328 1.00 0.00 H new ATOM 0 HB2 PHE A 58 18.861 10.608 -16.584 1.00 0.00 H new ATOM 0 HB3 PHE A 58 18.592 9.353 -17.777 1.00 0.00 H new ATOM 0 HD1 PHE A 58 19.853 7.137 -17.451 1.00 0.00 H new ATOM 0 HD2 PHE A 58 19.474 10.037 -14.401 1.00 0.00 H new ATOM 0 HE1 PHE A 58 20.362 5.396 -15.733 1.00 0.00 H new ATOM 0 HE2 PHE A 58 19.986 8.296 -12.683 1.00 0.00 H new ATOM 0 HZ PHE A 58 20.420 5.995 -13.368 1.00 0.00 H new ATOM 894 N GLU A 59 21.168 8.197 -18.992 1.00 0.00 N ATOM 895 CA GLU A 59 21.990 7.034 -19.280 1.00 0.00 C ATOM 896 C GLU A 59 23.226 7.443 -20.082 1.00 0.00 C ATOM 897 O GLU A 59 24.303 6.876 -19.902 1.00 0.00 O ATOM 898 CB GLU A 59 21.184 5.965 -20.021 1.00 0.00 C ATOM 899 CG GLU A 59 20.021 5.461 -19.164 1.00 0.00 C ATOM 900 CD GLU A 59 19.468 4.144 -19.710 1.00 0.00 C ATOM 901 OE1 GLU A 59 20.034 3.093 -19.338 1.00 0.00 O ATOM 902 OE2 GLU A 59 18.491 4.217 -20.487 1.00 0.00 O ATOM 0 H GLU A 59 20.332 8.282 -19.570 1.00 0.00 H new ATOM 0 HA GLU A 59 22.321 6.603 -18.335 1.00 0.00 H new ATOM 0 HB2 GLU A 59 20.800 6.376 -20.955 1.00 0.00 H new ATOM 0 HB3 GLU A 59 21.835 5.131 -20.283 1.00 0.00 H new ATOM 0 HG2 GLU A 59 20.356 5.321 -18.136 1.00 0.00 H new ATOM 0 HG3 GLU A 59 19.230 6.210 -19.142 1.00 0.00 H new ATOM 909 N ASP A 60 23.032 8.424 -20.951 1.00 0.00 N ATOM 910 CA ASP A 60 24.118 8.916 -21.781 1.00 0.00 C ATOM 911 C ASP A 60 25.260 9.400 -20.886 1.00 0.00 C ATOM 912 O ASP A 60 26.427 9.122 -21.156 1.00 0.00 O ATOM 913 CB ASP A 60 23.662 10.093 -22.645 1.00 0.00 C ATOM 914 CG ASP A 60 24.704 10.607 -23.641 1.00 0.00 C ATOM 915 OD1 ASP A 60 24.813 9.984 -24.719 1.00 0.00 O ATOM 916 OD2 ASP A 60 25.368 11.609 -23.301 1.00 0.00 O ATOM 0 H ASP A 60 22.138 8.892 -21.098 1.00 0.00 H new ATOM 0 HA ASP A 60 24.444 8.101 -22.427 1.00 0.00 H new ATOM 0 HB2 ASP A 60 22.770 9.795 -23.197 1.00 0.00 H new ATOM 0 HB3 ASP A 60 23.372 10.914 -21.990 1.00 0.00 H new ATOM 921 N VAL A 61 24.883 10.116 -19.836 1.00 0.00 N ATOM 922 CA VAL A 61 25.860 10.642 -18.899 1.00 0.00 C ATOM 923 C VAL A 61 26.448 9.490 -18.081 1.00 0.00 C ATOM 924 O VAL A 61 27.481 9.648 -17.432 1.00 0.00 O ATOM 925 CB VAL A 61 25.222 11.728 -18.030 1.00 0.00 C ATOM 926 CG1 VAL A 61 24.478 12.751 -18.890 1.00 0.00 C ATOM 927 CG2 VAL A 61 24.292 11.113 -16.981 1.00 0.00 C ATOM 0 H VAL A 61 23.914 10.344 -19.614 1.00 0.00 H new ATOM 0 HA VAL A 61 26.684 11.115 -19.433 1.00 0.00 H new ATOM 0 HB VAL A 61 26.021 12.251 -17.505 1.00 0.00 H new ATOM 0 HG11 VAL A 61 24.034 13.512 -18.248 1.00 0.00 H new ATOM 0 HG12 VAL A 61 25.177 13.222 -19.581 1.00 0.00 H new ATOM 0 HG13 VAL A 61 23.692 12.249 -19.455 1.00 0.00 H new ATOM 0 HG21 VAL A 61 23.851 11.905 -16.376 1.00 0.00 H new ATOM 0 HG22 VAL A 61 23.500 10.554 -17.480 1.00 0.00 H new ATOM 0 HG23 VAL A 61 24.862 10.441 -16.339 1.00 0.00 H new ATOM 937 N GLY A 62 25.764 8.357 -18.139 1.00 0.00 N ATOM 938 CA GLY A 62 26.205 7.179 -17.411 1.00 0.00 C ATOM 939 C GLY A 62 26.291 7.462 -15.910 1.00 0.00 C ATOM 940 O GLY A 62 27.359 7.798 -15.399 1.00 0.00 O ATOM 0 H GLY A 62 24.908 8.229 -18.679 1.00 0.00 H new ATOM 0 HA2 GLY A 62 25.513 6.356 -17.590 1.00 0.00 H new ATOM 0 HA3 GLY A 62 27.180 6.862 -17.781 1.00 0.00 H new ATOM 944 N HIS A 63 25.155 7.317 -15.246 1.00 0.00 N ATOM 945 CA HIS A 63 25.088 7.553 -13.813 1.00 0.00 C ATOM 946 C HIS A 63 25.844 6.445 -13.076 1.00 0.00 C ATOM 947 O HIS A 63 25.761 5.276 -13.449 1.00 0.00 O ATOM 948 CB HIS A 63 23.637 7.689 -13.351 1.00 0.00 C ATOM 949 CG HIS A 63 23.037 9.051 -13.604 1.00 0.00 C ATOM 950 ND1 HIS A 63 22.786 9.535 -14.876 1.00 0.00 N ATOM 951 CD2 HIS A 63 22.642 10.026 -12.736 1.00 0.00 C ATOM 952 CE1 HIS A 63 22.262 10.748 -14.766 1.00 0.00 C ATOM 953 NE2 HIS A 63 22.174 11.050 -13.439 1.00 0.00 N ATOM 0 H HIS A 63 24.272 7.039 -15.674 1.00 0.00 H new ATOM 0 HA HIS A 63 25.573 8.499 -13.573 1.00 0.00 H new ATOM 0 HB2 HIS A 63 23.033 6.937 -13.859 1.00 0.00 H new ATOM 0 HB3 HIS A 63 23.584 7.473 -12.284 1.00 0.00 H new ATOM 0 HD1 HIS A 63 22.972 9.042 -15.750 1.00 0.00 H new ATOM 0 HD2 HIS A 63 22.700 9.974 -11.659 1.00 0.00 H new ATOM 0 HE1 HIS A 63 21.958 11.385 -15.584 1.00 0.00 H new ATOM 961 N SER A 64 26.565 6.853 -12.042 1.00 0.00 N ATOM 962 CA SER A 64 27.335 5.910 -11.248 1.00 0.00 C ATOM 963 C SER A 64 26.427 5.222 -10.226 1.00 0.00 C ATOM 964 O SER A 64 25.280 5.626 -10.039 1.00 0.00 O ATOM 965 CB SER A 64 28.499 6.607 -10.541 1.00 0.00 C ATOM 966 OG SER A 64 29.752 6.299 -11.146 1.00 0.00 O ATOM 0 H SER A 64 26.632 7.824 -11.736 1.00 0.00 H new ATOM 0 HA SER A 64 27.751 5.158 -11.918 1.00 0.00 H new ATOM 0 HB2 SER A 64 28.342 7.685 -10.561 1.00 0.00 H new ATOM 0 HB3 SER A 64 28.519 6.307 -9.493 1.00 0.00 H new ATOM 0 HG SER A 64 30.470 6.764 -10.667 1.00 0.00 H new ATOM 972 N THR A 65 26.975 4.197 -9.590 1.00 0.00 N ATOM 973 CA THR A 65 26.230 3.451 -8.592 1.00 0.00 C ATOM 974 C THR A 65 25.607 4.402 -7.568 1.00 0.00 C ATOM 975 O THR A 65 24.426 4.288 -7.247 1.00 0.00 O ATOM 976 CB THR A 65 27.174 2.421 -7.968 1.00 0.00 C ATOM 977 OG1 THR A 65 26.979 1.249 -8.755 1.00 0.00 O ATOM 978 CG2 THR A 65 26.739 2.002 -6.562 1.00 0.00 C ATOM 0 H THR A 65 27.927 3.866 -9.747 1.00 0.00 H new ATOM 0 HA THR A 65 25.394 2.916 -9.043 1.00 0.00 H new ATOM 0 HB THR A 65 28.183 2.832 -7.928 1.00 0.00 H new ATOM 0 HG1 THR A 65 27.555 0.530 -8.420 1.00 0.00 H new ATOM 0 HG21 THR A 65 27.443 1.270 -6.166 1.00 0.00 H new ATOM 0 HG22 THR A 65 26.720 2.876 -5.911 1.00 0.00 H new ATOM 0 HG23 THR A 65 25.743 1.561 -6.606 1.00 0.00 H new ATOM 986 N ASP A 66 26.431 5.321 -7.085 1.00 0.00 N ATOM 987 CA ASP A 66 25.977 6.292 -6.104 1.00 0.00 C ATOM 988 C ASP A 66 24.581 6.785 -6.491 1.00 0.00 C ATOM 989 O ASP A 66 23.722 6.967 -5.629 1.00 0.00 O ATOM 990 CB ASP A 66 26.910 7.503 -6.056 1.00 0.00 C ATOM 991 CG ASP A 66 28.403 7.170 -6.055 1.00 0.00 C ATOM 992 OD1 ASP A 66 28.753 6.133 -5.452 1.00 0.00 O ATOM 993 OD2 ASP A 66 29.161 7.961 -6.657 1.00 0.00 O ATOM 0 H ASP A 66 27.410 5.413 -7.355 1.00 0.00 H new ATOM 0 HA ASP A 66 25.966 5.807 -5.128 1.00 0.00 H new ATOM 0 HB2 ASP A 66 26.696 8.141 -6.913 1.00 0.00 H new ATOM 0 HB3 ASP A 66 26.682 8.083 -5.162 1.00 0.00 H new ATOM 998 N ALA A 67 24.398 6.988 -7.787 1.00 0.00 N ATOM 999 CA ALA A 67 23.120 7.456 -8.298 1.00 0.00 C ATOM 1000 C ALA A 67 22.061 6.373 -8.084 1.00 0.00 C ATOM 1001 O ALA A 67 20.974 6.654 -7.582 1.00 0.00 O ATOM 1002 CB ALA A 67 23.270 7.841 -9.771 1.00 0.00 C ATOM 0 H ALA A 67 25.113 6.837 -8.499 1.00 0.00 H new ATOM 0 HA ALA A 67 22.794 8.346 -7.759 1.00 0.00 H new ATOM 0 HB1 ALA A 67 22.312 8.192 -10.155 1.00 0.00 H new ATOM 0 HB2 ALA A 67 24.012 8.634 -9.866 1.00 0.00 H new ATOM 0 HB3 ALA A 67 23.593 6.971 -10.343 1.00 0.00 H new ATOM 1008 N ARG A 68 22.417 5.157 -8.473 1.00 0.00 N ATOM 1009 CA ARG A 68 21.510 4.030 -8.329 1.00 0.00 C ATOM 1010 C ARG A 68 20.875 4.035 -6.937 1.00 0.00 C ATOM 1011 O ARG A 68 19.718 3.649 -6.778 1.00 0.00 O ATOM 1012 CB ARG A 68 22.243 2.704 -8.545 1.00 0.00 C ATOM 1013 CG ARG A 68 22.644 2.532 -10.011 1.00 0.00 C ATOM 1014 CD ARG A 68 22.304 1.126 -10.510 1.00 0.00 C ATOM 1015 NE ARG A 68 22.975 0.872 -11.805 1.00 0.00 N ATOM 1016 CZ ARG A 68 22.485 1.254 -12.992 1.00 0.00 C ATOM 1017 NH1 ARG A 68 21.317 1.907 -13.056 1.00 0.00 N ATOM 1018 NH2 ARG A 68 23.162 0.981 -14.116 1.00 0.00 N ATOM 0 H ARG A 68 23.320 4.928 -8.887 1.00 0.00 H new ATOM 0 HA ARG A 68 20.732 4.129 -9.086 1.00 0.00 H new ATOM 0 HB2 ARG A 68 23.132 2.669 -7.915 1.00 0.00 H new ATOM 0 HB3 ARG A 68 21.603 1.876 -8.240 1.00 0.00 H new ATOM 0 HG2 ARG A 68 22.129 3.273 -10.622 1.00 0.00 H new ATOM 0 HG3 ARG A 68 23.713 2.713 -10.123 1.00 0.00 H new ATOM 0 HD2 ARG A 68 22.620 0.385 -9.776 1.00 0.00 H new ATOM 0 HD3 ARG A 68 21.225 1.023 -10.624 1.00 0.00 H new ATOM 0 HE ARG A 68 23.866 0.375 -11.793 1.00 0.00 H new ATOM 0 HH11 ARG A 68 20.801 2.113 -12.201 1.00 0.00 H new ATOM 0 HH12 ARG A 68 20.944 2.198 -13.960 1.00 0.00 H new ATOM 0 HH21 ARG A 68 24.050 0.482 -14.068 1.00 0.00 H new ATOM 0 HH22 ARG A 68 22.789 1.272 -15.020 1.00 0.00 H new ATOM 1032 N GLU A 69 21.660 4.475 -5.965 1.00 0.00 N ATOM 1033 CA GLU A 69 21.188 4.534 -4.592 1.00 0.00 C ATOM 1034 C GLU A 69 20.160 5.656 -4.431 1.00 0.00 C ATOM 1035 O GLU A 69 19.037 5.415 -3.991 1.00 0.00 O ATOM 1036 CB GLU A 69 22.355 4.717 -3.618 1.00 0.00 C ATOM 1037 CG GLU A 69 22.863 3.366 -3.111 1.00 0.00 C ATOM 1038 CD GLU A 69 21.765 2.617 -2.352 1.00 0.00 C ATOM 1039 OE1 GLU A 69 21.650 2.864 -1.132 1.00 0.00 O ATOM 1040 OE2 GLU A 69 21.066 1.817 -3.009 1.00 0.00 O ATOM 0 H GLU A 69 22.619 4.794 -6.101 1.00 0.00 H new ATOM 0 HA GLU A 69 20.704 3.587 -4.355 1.00 0.00 H new ATOM 0 HB2 GLU A 69 23.166 5.252 -4.113 1.00 0.00 H new ATOM 0 HB3 GLU A 69 22.037 5.330 -2.775 1.00 0.00 H new ATOM 0 HG2 GLU A 69 23.205 2.763 -3.952 1.00 0.00 H new ATOM 0 HG3 GLU A 69 23.722 3.518 -2.458 1.00 0.00 H new ATOM 1047 N LEU A 70 20.582 6.858 -4.797 1.00 0.00 N ATOM 1048 CA LEU A 70 19.711 8.017 -4.699 1.00 0.00 C ATOM 1049 C LEU A 70 18.458 7.782 -5.545 1.00 0.00 C ATOM 1050 O LEU A 70 17.348 7.742 -5.019 1.00 0.00 O ATOM 1051 CB LEU A 70 20.472 9.292 -5.069 1.00 0.00 C ATOM 1052 CG LEU A 70 21.495 9.784 -4.043 1.00 0.00 C ATOM 1053 CD1 LEU A 70 21.553 8.847 -2.834 1.00 0.00 C ATOM 1054 CD2 LEU A 70 22.870 9.975 -4.687 1.00 0.00 C ATOM 0 H LEU A 70 21.514 7.054 -5.161 1.00 0.00 H new ATOM 0 HA LEU A 70 19.380 8.158 -3.670 1.00 0.00 H new ATOM 0 HB2 LEU A 70 20.988 9.122 -6.014 1.00 0.00 H new ATOM 0 HB3 LEU A 70 19.747 10.088 -5.240 1.00 0.00 H new ATOM 0 HG LEU A 70 21.172 10.759 -3.679 1.00 0.00 H new ATOM 0 HD11 LEU A 70 22.288 9.219 -2.120 1.00 0.00 H new ATOM 0 HD12 LEU A 70 20.573 8.806 -2.358 1.00 0.00 H new ATOM 0 HD13 LEU A 70 21.840 7.848 -3.162 1.00 0.00 H new ATOM 0 HD21 LEU A 70 23.578 10.325 -3.936 1.00 0.00 H new ATOM 0 HD22 LEU A 70 23.215 9.026 -5.096 1.00 0.00 H new ATOM 0 HD23 LEU A 70 22.798 10.711 -5.488 1.00 0.00 H new ATOM 1066 N SER A 71 18.679 7.632 -6.843 1.00 0.00 N ATOM 1067 CA SER A 71 17.582 7.402 -7.767 1.00 0.00 C ATOM 1068 C SER A 71 16.480 6.594 -7.079 1.00 0.00 C ATOM 1069 O SER A 71 15.340 7.047 -6.986 1.00 0.00 O ATOM 1070 CB SER A 71 18.064 6.677 -9.026 1.00 0.00 C ATOM 1071 OG SER A 71 18.891 7.508 -9.836 1.00 0.00 O ATOM 0 H SER A 71 19.602 7.665 -7.276 1.00 0.00 H new ATOM 0 HA SER A 71 17.181 8.369 -8.069 1.00 0.00 H new ATOM 0 HB2 SER A 71 18.618 5.783 -8.740 1.00 0.00 H new ATOM 0 HB3 SER A 71 17.203 6.346 -9.606 1.00 0.00 H new ATOM 0 HG SER A 71 19.180 7.009 -10.629 1.00 0.00 H new ATOM 1077 N LYS A 72 16.856 5.411 -6.616 1.00 0.00 N ATOM 1078 CA LYS A 72 15.915 4.537 -5.941 1.00 0.00 C ATOM 1079 C LYS A 72 15.287 5.284 -4.762 1.00 0.00 C ATOM 1080 O LYS A 72 14.065 5.322 -4.627 1.00 0.00 O ATOM 1081 CB LYS A 72 16.592 3.223 -5.546 1.00 0.00 C ATOM 1082 CG LYS A 72 15.698 2.025 -5.874 1.00 0.00 C ATOM 1083 CD LYS A 72 16.527 0.851 -6.399 1.00 0.00 C ATOM 1084 CE LYS A 72 16.424 0.745 -7.922 1.00 0.00 C ATOM 1085 NZ LYS A 72 17.607 0.047 -8.474 1.00 0.00 N ATOM 0 H LYS A 72 17.802 5.038 -6.696 1.00 0.00 H new ATOM 0 HA LYS A 72 15.103 4.261 -6.613 1.00 0.00 H new ATOM 0 HB2 LYS A 72 17.542 3.127 -6.072 1.00 0.00 H new ATOM 0 HB3 LYS A 72 16.817 3.232 -4.480 1.00 0.00 H new ATOM 0 HG2 LYS A 72 15.152 1.719 -4.982 1.00 0.00 H new ATOM 0 HG3 LYS A 72 14.956 2.313 -6.619 1.00 0.00 H new ATOM 0 HD2 LYS A 72 17.570 0.979 -6.109 1.00 0.00 H new ATOM 0 HD3 LYS A 72 16.181 -0.076 -5.942 1.00 0.00 H new ATOM 0 HE2 LYS A 72 15.516 0.206 -8.194 1.00 0.00 H new ATOM 0 HE3 LYS A 72 16.346 1.741 -8.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 17.521 -0.016 -9.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 18.468 0.577 -8.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 17.664 -0.910 -8.072 1.00 0.00 H new ATOM 1099 N THR A 73 16.152 5.859 -3.938 1.00 0.00 N ATOM 1100 CA THR A 73 15.697 6.603 -2.777 1.00 0.00 C ATOM 1101 C THR A 73 14.763 7.737 -3.201 1.00 0.00 C ATOM 1102 O THR A 73 13.839 8.092 -2.471 1.00 0.00 O ATOM 1103 CB THR A 73 16.932 7.085 -2.012 1.00 0.00 C ATOM 1104 OG1 THR A 73 16.992 6.229 -0.874 1.00 0.00 O ATOM 1105 CG2 THR A 73 16.743 8.481 -1.416 1.00 0.00 C ATOM 0 H THR A 73 17.165 5.824 -4.052 1.00 0.00 H new ATOM 0 HA THR A 73 15.108 5.974 -2.110 1.00 0.00 H new ATOM 0 HB THR A 73 17.794 7.088 -2.680 1.00 0.00 H new ATOM 0 HG1 THR A 73 17.766 6.471 -0.323 1.00 0.00 H new ATOM 0 HG21 THR A 73 17.648 8.775 -0.884 1.00 0.00 H new ATOM 0 HG22 THR A 73 16.544 9.194 -2.216 1.00 0.00 H new ATOM 0 HG23 THR A 73 15.902 8.470 -0.723 1.00 0.00 H new ATOM 1113 N TYR A 74 15.038 8.276 -4.380 1.00 0.00 N ATOM 1114 CA TYR A 74 14.234 9.365 -4.911 1.00 0.00 C ATOM 1115 C TYR A 74 13.221 8.849 -5.936 1.00 0.00 C ATOM 1116 O TYR A 74 13.014 9.471 -6.976 1.00 0.00 O ATOM 1117 CB TYR A 74 15.212 10.310 -5.610 1.00 0.00 C ATOM 1118 CG TYR A 74 15.987 11.221 -4.655 1.00 0.00 C ATOM 1119 CD1 TYR A 74 17.163 10.781 -4.084 1.00 0.00 C ATOM 1120 CD2 TYR A 74 15.509 12.482 -4.365 1.00 0.00 C ATOM 1121 CE1 TYR A 74 17.892 11.637 -3.186 1.00 0.00 C ATOM 1122 CE2 TYR A 74 16.238 13.339 -3.466 1.00 0.00 C ATOM 1123 CZ TYR A 74 17.394 12.875 -2.920 1.00 0.00 C ATOM 1124 OH TYR A 74 18.083 13.684 -2.073 1.00 0.00 O ATOM 0 H TYR A 74 15.806 7.979 -4.982 1.00 0.00 H new ATOM 0 HA TYR A 74 13.678 9.856 -4.112 1.00 0.00 H new ATOM 0 HB2 TYR A 74 15.922 9.719 -6.188 1.00 0.00 H new ATOM 0 HB3 TYR A 74 14.661 10.928 -6.318 1.00 0.00 H new ATOM 0 HD1 TYR A 74 17.537 9.794 -4.311 1.00 0.00 H new ATOM 0 HD2 TYR A 74 14.588 12.827 -4.812 1.00 0.00 H new ATOM 0 HE1 TYR A 74 18.814 11.304 -2.733 1.00 0.00 H new ATOM 0 HE2 TYR A 74 15.875 14.328 -3.231 1.00 0.00 H new ATOM 0 HH TYR A 74 17.610 14.537 -1.978 1.00 0.00 H new ATOM 1134 N ILE A 75 12.618 7.716 -5.605 1.00 0.00 N ATOM 1135 CA ILE A 75 11.633 7.110 -6.484 1.00 0.00 C ATOM 1136 C ILE A 75 10.274 7.083 -5.780 1.00 0.00 C ATOM 1137 O ILE A 75 10.197 6.814 -4.583 1.00 0.00 O ATOM 1138 CB ILE A 75 12.108 5.734 -6.954 1.00 0.00 C ATOM 1139 CG1 ILE A 75 11.586 5.422 -8.358 1.00 0.00 C ATOM 1140 CG2 ILE A 75 11.724 4.647 -5.947 1.00 0.00 C ATOM 1141 CD1 ILE A 75 12.360 4.262 -8.986 1.00 0.00 C ATOM 0 H ILE A 75 12.793 7.203 -4.741 1.00 0.00 H new ATOM 0 HA ILE A 75 11.513 7.707 -7.388 1.00 0.00 H new ATOM 0 HB ILE A 75 13.196 5.751 -7.011 1.00 0.00 H new ATOM 0 HG12 ILE A 75 10.526 5.172 -8.308 1.00 0.00 H new ATOM 0 HG13 ILE A 75 11.676 6.307 -8.988 1.00 0.00 H new ATOM 0 HG21 ILE A 75 12.074 3.679 -6.306 1.00 0.00 H new ATOM 0 HG22 ILE A 75 12.184 4.865 -4.983 1.00 0.00 H new ATOM 0 HG23 ILE A 75 10.640 4.622 -5.834 1.00 0.00 H new ATOM 0 HD11 ILE A 75 11.969 4.061 -9.983 1.00 0.00 H new ATOM 0 HD12 ILE A 75 13.416 4.525 -9.056 1.00 0.00 H new ATOM 0 HD13 ILE A 75 12.248 3.372 -8.366 1.00 0.00 H new ATOM 1153 N ILE A 76 9.237 7.369 -6.553 1.00 0.00 N ATOM 1154 CA ILE A 76 7.886 7.381 -6.018 1.00 0.00 C ATOM 1155 C ILE A 76 7.017 6.407 -6.815 1.00 0.00 C ATOM 1156 O ILE A 76 6.167 5.721 -6.248 1.00 0.00 O ATOM 1157 CB ILE A 76 7.336 8.809 -5.985 1.00 0.00 C ATOM 1158 CG1 ILE A 76 6.793 9.219 -7.355 1.00 0.00 C ATOM 1159 CG2 ILE A 76 8.390 9.790 -5.469 1.00 0.00 C ATOM 1160 CD1 ILE A 76 7.924 9.674 -8.279 1.00 0.00 C ATOM 0 H ILE A 76 9.305 7.594 -7.546 1.00 0.00 H new ATOM 0 HA ILE A 76 7.883 7.038 -4.983 1.00 0.00 H new ATOM 0 HB ILE A 76 6.500 8.837 -5.286 1.00 0.00 H new ATOM 0 HG12 ILE A 76 6.265 8.379 -7.807 1.00 0.00 H new ATOM 0 HG13 ILE A 76 6.069 10.025 -7.237 1.00 0.00 H new ATOM 0 HG21 ILE A 76 7.974 10.797 -5.455 1.00 0.00 H new ATOM 0 HG22 ILE A 76 8.687 9.507 -4.459 1.00 0.00 H new ATOM 0 HG23 ILE A 76 9.261 9.766 -6.124 1.00 0.00 H new ATOM 0 HD11 ILE A 76 7.511 9.960 -9.246 1.00 0.00 H new ATOM 0 HD12 ILE A 76 8.435 10.529 -7.835 1.00 0.00 H new ATOM 0 HD13 ILE A 76 8.634 8.858 -8.415 1.00 0.00 H new ATOM 1172 N GLY A 77 7.261 6.375 -8.117 1.00 0.00 N ATOM 1173 CA GLY A 77 6.512 5.495 -8.998 1.00 0.00 C ATOM 1174 C GLY A 77 6.869 5.751 -10.463 1.00 0.00 C ATOM 1175 O GLY A 77 7.882 6.384 -10.756 1.00 0.00 O ATOM 0 H GLY A 77 7.967 6.945 -8.583 1.00 0.00 H new ATOM 0 HA2 GLY A 77 6.723 4.456 -8.745 1.00 0.00 H new ATOM 0 HA3 GLY A 77 5.443 5.649 -8.848 1.00 0.00 H new ATOM 1179 N GLU A 78 6.018 5.246 -11.344 1.00 0.00 N ATOM 1180 CA GLU A 78 6.231 5.412 -12.771 1.00 0.00 C ATOM 1181 C GLU A 78 5.049 6.150 -13.402 1.00 0.00 C ATOM 1182 O GLU A 78 3.983 6.254 -12.798 1.00 0.00 O ATOM 1183 CB GLU A 78 6.461 4.061 -13.452 1.00 0.00 C ATOM 1184 CG GLU A 78 5.206 3.189 -13.378 1.00 0.00 C ATOM 1185 CD GLU A 78 4.887 2.571 -14.740 1.00 0.00 C ATOM 1186 OE1 GLU A 78 4.262 3.283 -15.555 1.00 0.00 O ATOM 1187 OE2 GLU A 78 5.275 1.398 -14.936 1.00 0.00 O ATOM 0 H GLU A 78 5.179 4.721 -11.096 1.00 0.00 H new ATOM 0 HA GLU A 78 7.129 6.013 -12.917 1.00 0.00 H new ATOM 0 HB2 GLU A 78 6.738 4.218 -14.494 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.295 3.546 -12.974 1.00 0.00 H new ATOM 0 HG2 GLU A 78 5.351 2.399 -12.641 1.00 0.00 H new ATOM 0 HG3 GLU A 78 4.361 3.789 -13.040 1.00 0.00 H new ATOM 1194 N LEU A 79 5.278 6.645 -14.610 1.00 0.00 N ATOM 1195 CA LEU A 79 4.246 7.370 -15.330 1.00 0.00 C ATOM 1196 C LEU A 79 3.460 6.394 -16.208 1.00 0.00 C ATOM 1197 O LEU A 79 4.012 5.407 -16.691 1.00 0.00 O ATOM 1198 CB LEU A 79 4.855 8.542 -16.104 1.00 0.00 C ATOM 1199 CG LEU A 79 5.089 8.308 -17.598 1.00 0.00 C ATOM 1200 CD1 LEU A 79 5.669 6.916 -17.851 1.00 0.00 C ATOM 1201 CD2 LEU A 79 3.806 8.549 -18.398 1.00 0.00 C ATOM 0 H LEU A 79 6.164 6.558 -15.108 1.00 0.00 H new ATOM 0 HA LEU A 79 3.535 7.814 -14.633 1.00 0.00 H new ATOM 0 HB2 LEU A 79 4.201 9.406 -15.990 1.00 0.00 H new ATOM 0 HB3 LEU A 79 5.808 8.800 -15.643 1.00 0.00 H new ATOM 0 HG LEU A 79 5.826 9.031 -17.946 1.00 0.00 H new ATOM 0 HD11 LEU A 79 5.826 6.776 -18.921 1.00 0.00 H new ATOM 0 HD12 LEU A 79 6.621 6.818 -17.329 1.00 0.00 H new ATOM 0 HD13 LEU A 79 4.975 6.160 -17.484 1.00 0.00 H new ATOM 0 HD21 LEU A 79 3.999 8.376 -19.457 1.00 0.00 H new ATOM 0 HD22 LEU A 79 3.029 7.866 -18.055 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.475 9.577 -18.253 1.00 0.00 H new ATOM 1213 N HIS A 80 2.184 6.705 -16.387 1.00 0.00 N ATOM 1214 CA HIS A 80 1.318 5.867 -17.199 1.00 0.00 C ATOM 1215 C HIS A 80 2.066 5.422 -18.458 1.00 0.00 C ATOM 1216 O HIS A 80 2.422 6.248 -19.297 1.00 0.00 O ATOM 1217 CB HIS A 80 0.005 6.588 -17.513 1.00 0.00 C ATOM 1218 CG HIS A 80 -1.215 5.701 -17.439 1.00 0.00 C ATOM 1219 ND1 HIS A 80 -2.443 6.070 -17.959 1.00 0.00 N ATOM 1220 CD2 HIS A 80 -1.382 4.458 -16.902 1.00 0.00 C ATOM 1221 CE1 HIS A 80 -3.304 5.088 -17.738 1.00 0.00 C ATOM 1222 NE2 HIS A 80 -2.645 4.090 -17.083 1.00 0.00 N ATOM 0 H HIS A 80 1.730 7.525 -15.984 1.00 0.00 H new ATOM 0 HA HIS A 80 1.049 4.969 -16.643 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -0.118 7.417 -16.816 1.00 0.00 H new ATOM 0 HB3 HIS A 80 0.069 7.019 -18.512 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -0.617 3.873 -16.413 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -4.345 5.079 -18.026 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -3.055 3.206 -16.782 1.00 0.00 H new ATOM 1230 N PRO A 81 2.287 4.084 -18.550 1.00 0.00 N ATOM 1231 CA PRO A 81 2.987 3.519 -19.693 1.00 0.00 C ATOM 1232 C PRO A 81 2.085 3.490 -20.929 1.00 0.00 C ATOM 1233 O PRO A 81 2.520 3.098 -22.010 1.00 0.00 O ATOM 1234 CB PRO A 81 3.421 2.134 -19.242 1.00 0.00 C ATOM 1235 CG PRO A 81 2.553 1.795 -18.041 1.00 0.00 C ATOM 1236 CD PRO A 81 1.881 3.077 -17.576 1.00 0.00 C ATOM 0 HA PRO A 81 3.849 4.114 -19.995 1.00 0.00 H new ATOM 0 HB2 PRO A 81 3.286 1.404 -20.040 1.00 0.00 H new ATOM 0 HB3 PRO A 81 4.478 2.124 -18.975 1.00 0.00 H new ATOM 0 HG2 PRO A 81 1.806 1.048 -18.308 1.00 0.00 H new ATOM 0 HG3 PRO A 81 3.158 1.369 -17.241 1.00 0.00 H new ATOM 0 HD2 PRO A 81 0.797 2.968 -17.548 1.00 0.00 H new ATOM 0 HD3 PRO A 81 2.200 3.349 -16.570 1.00 0.00 H new ATOM 1244 N ASP A 82 0.845 3.911 -20.726 1.00 0.00 N ATOM 1245 CA ASP A 82 -0.122 3.940 -21.811 1.00 0.00 C ATOM 1246 C ASP A 82 0.104 5.194 -22.657 1.00 0.00 C ATOM 1247 O ASP A 82 0.009 5.145 -23.883 1.00 0.00 O ATOM 1248 CB ASP A 82 -1.553 3.984 -21.272 1.00 0.00 C ATOM 1249 CG ASP A 82 -2.630 3.522 -22.256 1.00 0.00 C ATOM 1250 OD1 ASP A 82 -2.495 2.383 -22.751 1.00 0.00 O ATOM 1251 OD2 ASP A 82 -3.562 4.320 -22.492 1.00 0.00 O ATOM 0 H ASP A 82 0.488 4.235 -19.827 1.00 0.00 H new ATOM 0 HA ASP A 82 0.012 3.036 -22.406 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -1.608 3.362 -20.379 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -1.778 5.005 -20.964 1.00 0.00 H new ATOM 1256 N ASP A 83 0.399 6.287 -21.970 1.00 0.00 N ATOM 1257 CA ASP A 83 0.639 7.552 -22.644 1.00 0.00 C ATOM 1258 C ASP A 83 2.147 7.787 -22.758 1.00 0.00 C ATOM 1259 O ASP A 83 2.586 8.694 -23.463 1.00 0.00 O ATOM 1260 CB ASP A 83 0.037 8.718 -21.857 1.00 0.00 C ATOM 1261 CG ASP A 83 -1.488 8.815 -21.910 1.00 0.00 C ATOM 1262 OD1 ASP A 83 -2.031 8.620 -23.019 1.00 0.00 O ATOM 1263 OD2 ASP A 83 -2.078 9.081 -20.840 1.00 0.00 O ATOM 0 H ASP A 83 0.477 6.323 -20.954 1.00 0.00 H new ATOM 0 HA ASP A 83 0.174 7.503 -23.629 1.00 0.00 H new ATOM 0 HB2 ASP A 83 0.344 8.630 -20.815 1.00 0.00 H new ATOM 0 HB3 ASP A 83 0.459 9.649 -22.236 1.00 0.00 H new ATOM 1268 N ARG A 84 2.897 6.953 -22.053 1.00 0.00 N ATOM 1269 CA ARG A 84 4.346 7.058 -22.065 1.00 0.00 C ATOM 1270 C ARG A 84 4.881 6.865 -23.487 1.00 0.00 C ATOM 1271 O ARG A 84 5.924 7.411 -23.840 1.00 0.00 O ATOM 1272 CB ARG A 84 4.983 6.016 -21.144 1.00 0.00 C ATOM 1273 CG ARG A 84 5.213 4.697 -21.885 1.00 0.00 C ATOM 1274 CD ARG A 84 5.864 3.659 -20.967 1.00 0.00 C ATOM 1275 NE ARG A 84 5.255 2.330 -21.194 1.00 0.00 N ATOM 1276 CZ ARG A 84 5.917 1.171 -21.081 1.00 0.00 C ATOM 1277 NH1 ARG A 84 7.214 1.170 -20.744 1.00 0.00 N ATOM 1278 NH2 ARG A 84 5.284 0.012 -21.305 1.00 0.00 N ATOM 0 H ARG A 84 2.528 6.202 -21.470 1.00 0.00 H new ATOM 0 HA ARG A 84 4.608 8.053 -21.705 1.00 0.00 H new ATOM 0 HB2 ARG A 84 5.932 6.394 -20.763 1.00 0.00 H new ATOM 0 HB3 ARG A 84 4.339 5.845 -20.282 1.00 0.00 H new ATOM 0 HG2 ARG A 84 4.263 4.314 -22.257 1.00 0.00 H new ATOM 0 HG3 ARG A 84 5.849 4.870 -22.753 1.00 0.00 H new ATOM 0 HD2 ARG A 84 6.936 3.614 -21.158 1.00 0.00 H new ATOM 0 HD3 ARG A 84 5.738 3.953 -19.925 1.00 0.00 H new ATOM 0 HE ARG A 84 4.269 2.294 -21.453 1.00 0.00 H new ATOM 0 HH11 ARG A 84 7.697 2.052 -20.573 1.00 0.00 H new ATOM 0 HH12 ARG A 84 7.718 0.287 -20.658 1.00 0.00 H new ATOM 0 HH21 ARG A 84 4.297 0.011 -21.562 1.00 0.00 H new ATOM 0 HH22 ARG A 84 5.789 -0.870 -21.219 1.00 0.00 H new ATOM 1292 N SER A 85 4.139 6.088 -24.263 1.00 0.00 N ATOM 1293 CA SER A 85 4.525 5.818 -25.637 1.00 0.00 C ATOM 1294 C SER A 85 3.566 6.523 -26.598 1.00 0.00 C ATOM 1295 O SER A 85 3.099 5.924 -27.566 1.00 0.00 O ATOM 1296 CB SER A 85 4.546 4.314 -25.917 1.00 0.00 C ATOM 1297 OG SER A 85 5.818 3.876 -26.385 1.00 0.00 O ATOM 0 H SER A 85 3.273 5.637 -23.966 1.00 0.00 H new ATOM 0 HA SER A 85 5.533 6.204 -25.792 1.00 0.00 H new ATOM 0 HB2 SER A 85 4.288 3.772 -25.007 1.00 0.00 H new ATOM 0 HB3 SER A 85 3.784 4.073 -26.658 1.00 0.00 H new ATOM 0 HG SER A 85 5.791 2.910 -26.551 1.00 0.00 H new ATOM 1303 N LYS A 86 3.300 7.786 -26.298 1.00 0.00 N ATOM 1304 CA LYS A 86 2.406 8.579 -27.124 1.00 0.00 C ATOM 1305 C LYS A 86 3.231 9.449 -28.074 1.00 0.00 C ATOM 1306 O LYS A 86 2.839 10.570 -28.394 1.00 0.00 O ATOM 1307 CB LYS A 86 1.434 9.375 -26.250 1.00 0.00 C ATOM 1308 CG LYS A 86 0.071 9.514 -26.931 1.00 0.00 C ATOM 1309 CD LYS A 86 -0.888 8.415 -26.468 1.00 0.00 C ATOM 1310 CE LYS A 86 -1.203 7.446 -27.609 1.00 0.00 C ATOM 1311 NZ LYS A 86 -2.629 7.544 -27.994 1.00 0.00 N ATOM 0 H LYS A 86 3.688 8.280 -25.494 1.00 0.00 H new ATOM 0 HA LYS A 86 1.786 7.931 -27.743 1.00 0.00 H new ATOM 0 HB2 LYS A 86 1.314 8.878 -25.287 1.00 0.00 H new ATOM 0 HB3 LYS A 86 1.846 10.364 -26.049 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -0.354 10.492 -26.705 1.00 0.00 H new ATOM 0 HG3 LYS A 86 0.194 9.462 -28.013 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -0.446 7.869 -25.634 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -1.811 8.864 -26.102 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -0.572 7.670 -28.469 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -0.972 6.426 -27.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -2.826 6.880 -28.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -3.226 7.308 -27.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -2.838 8.513 -28.307 1.00 0.00 H new ATOM 1325 N ILE A 87 4.361 8.900 -28.497 1.00 0.00 N ATOM 1326 CA ILE A 87 5.245 9.612 -29.404 1.00 0.00 C ATOM 1327 C ILE A 87 5.017 9.110 -30.831 1.00 0.00 C ATOM 1328 O ILE A 87 4.678 9.889 -31.720 1.00 0.00 O ATOM 1329 CB ILE A 87 6.697 9.497 -28.935 1.00 0.00 C ATOM 1330 CG1 ILE A 87 7.004 10.524 -27.844 1.00 0.00 C ATOM 1331 CG2 ILE A 87 7.664 9.608 -30.116 1.00 0.00 C ATOM 1332 CD1 ILE A 87 6.330 10.142 -26.526 1.00 0.00 C ATOM 0 H ILE A 87 4.684 7.971 -28.228 1.00 0.00 H new ATOM 0 HA ILE A 87 5.017 10.678 -29.402 1.00 0.00 H new ATOM 0 HB ILE A 87 6.837 8.510 -28.495 1.00 0.00 H new ATOM 0 HG12 ILE A 87 8.082 10.594 -27.698 1.00 0.00 H new ATOM 0 HG13 ILE A 87 6.661 11.509 -28.160 1.00 0.00 H new ATOM 0 HG21 ILE A 87 8.689 9.523 -29.756 1.00 0.00 H new ATOM 0 HG22 ILE A 87 7.462 8.808 -30.828 1.00 0.00 H new ATOM 0 HG23 ILE A 87 7.530 10.572 -30.606 1.00 0.00 H new ATOM 0 HD11 ILE A 87 6.565 10.889 -25.768 1.00 0.00 H new ATOM 0 HD12 ILE A 87 5.250 10.097 -26.669 1.00 0.00 H new ATOM 0 HD13 ILE A 87 6.694 9.167 -26.200 1.00 0.00 H new ATOM 1344 N ALA A 88 5.213 7.810 -31.006 1.00 0.00 N ATOM 1345 CA ALA A 88 5.032 7.195 -32.309 1.00 0.00 C ATOM 1346 C ALA A 88 3.538 7.105 -32.624 1.00 0.00 C ATOM 1347 O ALA A 88 2.931 6.046 -32.472 1.00 0.00 O ATOM 1348 CB ALA A 88 5.716 5.826 -32.326 1.00 0.00 C ATOM 0 H ALA A 88 5.495 7.167 -30.266 1.00 0.00 H new ATOM 0 HA ALA A 88 5.496 7.801 -33.087 1.00 0.00 H new ATOM 0 HB1 ALA A 88 5.581 5.364 -33.304 1.00 0.00 H new ATOM 0 HB2 ALA A 88 6.781 5.949 -32.127 1.00 0.00 H new ATOM 0 HB3 ALA A 88 5.275 5.189 -31.559 1.00 0.00 H new TER 1354 ALA A 88 HETATM 1355 FE HEM A 95 22.637 12.804 -12.612 1.00 0.00 FE HETATM 1356 CHA HEM A 95 25.990 12.920 -12.794 1.00 0.00 C HETATM 1357 CHB HEM A 95 22.850 11.383 -9.535 1.00 0.00 C HETATM 1358 CHC HEM A 95 19.265 12.717 -12.438 1.00 0.00 C HETATM 1359 CHD HEM A 95 22.406 14.250 -15.696 1.00 0.00 C HETATM 1360 NA HEM A 95 24.146 12.257 -11.423 1.00 0.00 N HETATM 1361 C1A HEM A 95 25.478 12.406 -11.684 1.00 0.00 C HETATM 1362 C2A HEM A 95 26.235 11.881 -10.551 1.00 0.00 C HETATM 1363 C3A HEM A 95 25.346 11.458 -9.638 1.00 0.00 C HETATM 1364 C4A HEM A 95 24.040 11.703 -10.178 1.00 0.00 C HETATM 1365 CMA HEM A 95 25.695 10.800 -8.311 1.00 0.00 C HETATM 1366 CAA HEM A 95 27.666 11.235 -10.579 1.00 0.00 C HETATM 1367 CBA HEM A 95 28.520 11.159 -11.865 1.00 0.00 C HETATM 1368 CGA HEM A 95 29.698 10.201 -11.745 1.00 0.00 C HETATM 1369 O1A HEM A 95 29.801 9.494 -10.711 1.00 0.00 O HETATM 1370 O2A HEM A 95 30.527 10.130 -12.687 1.00 0.00 O HETATM 1371 NB HEM A 95 21.311 12.170 -11.268 1.00 0.00 N HETATM 1372 C1B HEM A 95 21.595 11.609 -10.060 1.00 0.00 C HETATM 1373 C2B HEM A 95 20.366 11.284 -9.354 1.00 0.00 C HETATM 1374 C3B HEM A 95 19.360 11.653 -10.161 1.00 0.00 C HETATM 1375 C4B HEM A 95 19.947 12.235 -11.369 1.00 0.00 C HETATM 1376 CMB HEM A 95 20.209 10.632 -7.990 1.00 0.00 C HETATM 1377 CAB HEM A 95 17.888 11.502 -9.864 1.00 0.00 C HETATM 1378 CBB HEM A 95 17.198 10.521 -9.635 1.00 0.00 C HETATM 1379 NC HEM A 95 21.125 13.384 -13.819 1.00 0.00 N HETATM 1380 C1C HEM A 95 19.790 13.250 -13.565 1.00 0.00 C HETATM 1381 C2C HEM A 95 19.020 13.752 -14.679 1.00 0.00 C HETATM 1382 C3C HEM A 95 19.933 14.217 -15.611 1.00 0.00 C HETATM 1383 C4C HEM A 95 21.232 13.955 -15.072 1.00 0.00 C HETATM 1384 CMC HEM A 95 17.537 13.828 -14.840 1.00 0.00 C HETATM 1385 CAC HEM A 95 19.561 14.836 -16.919 1.00 0.00 C HETATM 1386 CBC HEM A 95 18.656 15.396 -17.196 1.00 0.00 C HETATM 1387 ND HEM A 95 23.961 13.462 -13.971 1.00 0.00 N HETATM 1388 C1D HEM A 95 23.669 14.030 -15.195 1.00 0.00 C HETATM 1389 C2D HEM A 95 24.930 14.362 -15.889 1.00 0.00 C HETATM 1390 C3D HEM A 95 25.895 13.981 -15.066 1.00 0.00 C HETATM 1391 C4D HEM A 95 25.306 13.427 -13.872 1.00 0.00 C HETATM 1392 CMD HEM A 95 25.044 15.003 -17.238 1.00 0.00 C HETATM 1393 CAD HEM A 95 27.482 14.269 -15.067 1.00 0.00 C HETATM 1394 CBD HEM A 95 27.798 15.524 -14.218 1.00 0.00 C HETATM 1395 CGD HEM A 95 29.298 15.812 -14.176 1.00 0.00 C HETATM 1396 O1D HEM A 95 29.946 16.344 -15.077 1.00 0.00 O HETATM 1397 O2D HEM A 95 29.828 15.138 -13.166 1.00 0.00 O HETATM 0 HMA1 HEM A 95 24.903 10.997 -7.588 1.00 0.00 H new HETATM 0 HMA2 HEM A 95 26.635 11.207 -7.939 1.00 0.00 H new HETATM 0 HMA3 HEM A 95 25.797 9.724 -8.454 1.00 0.00 H new HETATM 0 HMB1 HEM A 95 19.291 10.987 -7.521 1.00 0.00 H new HETATM 0 HMB2 HEM A 95 21.061 10.892 -7.362 1.00 0.00 H new HETATM 0 HMB3 HEM A 95 20.161 9.549 -8.108 1.00 0.00 H new HETATM 0 HMC1 HEM A 95 17.069 13.016 -14.283 1.00 0.00 H new HETATM 0 HMC2 HEM A 95 17.281 13.739 -15.896 1.00 0.00 H new HETATM 0 HMC3 HEM A 95 17.178 14.784 -14.459 1.00 0.00 H new HETATM 0 HMD1 HEM A 95 24.185 14.722 -17.848 1.00 0.00 H new HETATM 0 HMD2 HEM A 95 25.960 14.667 -17.724 1.00 0.00 H new HETATM 0 HMD3 HEM A 95 25.070 16.087 -17.125 1.00 0.00 H new HETATM 0 HBB1 HEM A 95 16.132 10.638 -9.442 1.00 0.00 H new HETATM 0 HBB2 HEM A 95 17.648 9.529 -9.623 1.00 0.00 H new HETATM 0 HBC1 HEM A 95 18.544 15.784 -18.208 1.00 0.00 H new HETATM 0 HBC2 HEM A 95 17.871 15.563 -16.458 1.00 0.00 H new HETATM 0 HBA1 HEM A 95 28.892 12.155 -12.106 1.00 0.00 H new HETATM 0 HBA2 HEM A 95 27.888 10.845 -12.696 1.00 0.00 H new HETATM 0 HAA1 HEM A 95 27.553 10.212 -10.219 1.00 0.00 H new HETATM 0 HAA2 HEM A 95 28.263 11.769 -9.840 1.00 0.00 H new HETATM 0 HBD1 HEM A 95 27.426 15.381 -13.204 1.00 0.00 H new HETATM 0 HBD2 HEM A 95 27.273 16.385 -14.631 1.00 0.00 H new HETATM 0 HAD1 HEM A 95 27.832 14.415 -16.089 1.00 0.00 H new HETATM 0 HAD2 HEM A 95 28.016 13.407 -14.667 1.00 0.00 H new HETATM 0 HHA HEM A 95 27.068 12.943 -12.858 1.00 0.00 H new HETATM 0 HHB HEM A 95 22.912 10.927 -8.558 1.00 0.00 H new HETATM 0 HHC HEM A 95 18.187 12.670 -12.383 1.00 0.00 H new HETATM 0 HHD HEM A 95 22.340 14.699 -16.676 1.00 0.00 H new HETATM 0 HAB HEM A 95 17.339 12.444 -9.852 1.00 0.00 H new HETATM 0 HAC HEM A 95 20.295 14.715 -17.716 1.00 0.00 H new