USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 795 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 NoAdj-H: A 35 HIS HE2 : A 35 HIS NE2 : A 301 ZNZN :(H bumps) USER MOD NoAdj-H: A 61 HIS HE2 : A 61 HIS NE2 : A 501 ZNZN :(H bumps) USER MOD NoAdj-H: A 88 HIS HE2 : A 88 HIS NE2 : A 701 ZNZN :(H bumps) USER MOD Set 1.1: A 71 THR OG1 : rot 78:sc= 1.34 USER MOD Set 1.2: A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 6:sc= 0.22 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.144 X(o=-0.14,f=-0.43) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.107 K(o=-0.11,f=-4.8!) USER MOD Single : A 23 ASN : amide:sc= -3.96! C(o=-4!,f=-4.5!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot -36:sc= 0.00814 USER MOD Single : A 28 SER OG : rot 42:sc= 1.25 USER MOD Single : A 32 GLN : amide:sc= -0.185 K(o=-0.18,f=-1.5) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -1.54 K(o=-1.5,f=-0.59) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 157:sc= 1.09 (180deg=0.384) USER MOD Single : A 59 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ -169:sc= 0.682 (180deg=0.563) USER MOD Single : A 76 MET CE :methyl -114:sc= -2.58 (180deg=-3.51!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= -0.019 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -0.222 K(o=-0.22,f=0.44) USER MOD Single : A 93 HIS : no HE2:sc= -2.95! K(o=-2.9!,f=-1.5) USER MOD Single : A 94 ASN : amide:sc= -0.895 K(o=-0.9,f=-1.7) USER MOD Single : A 95 GLN : amide:sc= -0.057 K(o=-0.057,f=-0.95) USER MOD Single : A 96 ASN : amide:sc= -5.43! K(o=-5.4!,f=-1.9) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=-0.0018) USER MOD Single : A 98 MET CE :methyl -160:sc= -0.0322 (180deg=-0.307) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.682 -27.269 -36.598 1.00 0.00 N ATOM 2 CA GLY A 1 7.329 -27.638 -36.972 1.00 0.00 C ATOM 3 C GLY A 1 6.309 -27.242 -35.922 1.00 0.00 C ATOM 4 O GLY A 1 6.557 -27.378 -34.724 1.00 0.00 O ATOM 0 H1 GLY A 1 9.341 -27.561 -37.348 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.738 -26.238 -36.470 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.938 -27.743 -35.708 1.00 0.00 H new ATOM 0 HA2 GLY A 1 7.074 -27.162 -37.919 1.00 0.00 H new ATOM 0 HA3 GLY A 1 7.281 -28.715 -37.133 1.00 0.00 H new ATOM 8 N SER A 2 5.160 -26.748 -36.373 1.00 0.00 N ATOM 9 CA SER A 2 4.102 -26.325 -35.463 1.00 0.00 C ATOM 10 C SER A 2 2.729 -26.519 -36.100 1.00 0.00 C ATOM 11 O SER A 2 2.613 -26.681 -37.315 1.00 0.00 O ATOM 12 CB SER A 2 4.292 -24.858 -35.072 1.00 0.00 C ATOM 13 OG SER A 2 5.400 -24.702 -34.202 1.00 0.00 O ATOM 0 H SER A 2 4.938 -26.631 -37.362 1.00 0.00 H new ATOM 0 HA SER A 2 4.159 -26.943 -34.567 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.442 -24.256 -35.968 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.389 -24.488 -34.586 1.00 0.00 H new ATOM 0 HG SER A 2 5.865 -25.559 -34.108 1.00 0.00 H new ATOM 19 N SER A 3 1.691 -26.500 -35.271 1.00 0.00 N ATOM 20 CA SER A 3 0.325 -26.678 -35.751 1.00 0.00 C ATOM 21 C SER A 3 -0.652 -25.839 -34.933 1.00 0.00 C ATOM 22 O SER A 3 -0.379 -25.491 -33.785 1.00 0.00 O ATOM 23 CB SER A 3 -0.073 -28.153 -35.686 1.00 0.00 C ATOM 24 OG SER A 3 -1.315 -28.376 -36.332 1.00 0.00 O ATOM 0 H SER A 3 1.769 -26.363 -34.263 1.00 0.00 H new ATOM 0 HA SER A 3 0.284 -26.344 -36.788 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.699 -28.762 -36.156 1.00 0.00 H new ATOM 0 HB3 SER A 3 -0.139 -28.469 -34.645 1.00 0.00 H new ATOM 0 HG SER A 3 -1.546 -29.327 -36.278 1.00 0.00 H new ATOM 30 N GLY A 4 -1.793 -25.517 -35.534 1.00 0.00 N ATOM 31 CA GLY A 4 -2.794 -24.721 -34.848 1.00 0.00 C ATOM 32 C GLY A 4 -4.200 -25.246 -35.062 1.00 0.00 C ATOM 33 O GLY A 4 -4.449 -26.006 -35.998 1.00 0.00 O ATOM 0 H GLY A 4 -2.042 -25.793 -36.484 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.573 -24.707 -33.781 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.737 -23.691 -35.199 1.00 0.00 H new ATOM 37 N SER A 5 -5.120 -24.843 -34.192 1.00 0.00 N ATOM 38 CA SER A 5 -6.507 -25.283 -34.288 1.00 0.00 C ATOM 39 C SER A 5 -7.434 -24.318 -33.555 1.00 0.00 C ATOM 40 O SER A 5 -6.980 -23.392 -32.883 1.00 0.00 O ATOM 41 CB SER A 5 -6.659 -26.691 -33.710 1.00 0.00 C ATOM 42 OG SER A 5 -6.599 -26.671 -32.295 1.00 0.00 O ATOM 0 H SER A 5 -4.930 -24.213 -33.413 1.00 0.00 H new ATOM 0 HA SER A 5 -6.785 -25.299 -35.342 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.609 -27.118 -34.031 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.871 -27.335 -34.101 1.00 0.00 H new ATOM 0 HG SER A 5 -6.700 -27.583 -31.950 1.00 0.00 H new ATOM 48 N SER A 6 -8.738 -24.541 -33.691 1.00 0.00 N ATOM 49 CA SER A 6 -9.731 -23.690 -33.046 1.00 0.00 C ATOM 50 C SER A 6 -10.964 -24.498 -32.652 1.00 0.00 C ATOM 51 O SER A 6 -11.109 -25.658 -33.035 1.00 0.00 O ATOM 52 CB SER A 6 -10.133 -22.545 -33.976 1.00 0.00 C ATOM 53 OG SER A 6 -10.654 -23.038 -35.198 1.00 0.00 O ATOM 0 H SER A 6 -9.131 -25.304 -34.242 1.00 0.00 H new ATOM 0 HA SER A 6 -9.286 -23.274 -32.142 1.00 0.00 H new ATOM 0 HB2 SER A 6 -10.879 -21.919 -33.486 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.267 -21.913 -34.175 1.00 0.00 H new ATOM 0 HG SER A 6 -10.905 -22.286 -35.774 1.00 0.00 H new ATOM 59 N GLY A 7 -11.851 -23.874 -31.883 1.00 0.00 N ATOM 60 CA GLY A 7 -13.061 -24.548 -31.448 1.00 0.00 C ATOM 61 C GLY A 7 -13.300 -24.406 -29.958 1.00 0.00 C ATOM 62 O GLY A 7 -12.374 -24.538 -29.159 1.00 0.00 O ATOM 0 H GLY A 7 -11.753 -22.914 -31.553 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.915 -24.141 -31.990 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.996 -25.606 -31.703 1.00 0.00 H new ATOM 66 N ALA A 8 -14.546 -24.135 -29.584 1.00 0.00 N ATOM 67 CA ALA A 8 -14.905 -23.976 -28.180 1.00 0.00 C ATOM 68 C ALA A 8 -16.362 -24.357 -27.939 1.00 0.00 C ATOM 69 O ALA A 8 -17.244 -24.001 -28.720 1.00 0.00 O ATOM 70 CB ALA A 8 -14.650 -22.545 -27.730 1.00 0.00 C ATOM 0 H ALA A 8 -15.324 -24.021 -30.234 1.00 0.00 H new ATOM 0 HA ALA A 8 -14.280 -24.648 -27.592 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -14.922 -22.440 -26.680 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -13.594 -22.306 -27.857 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -15.251 -21.862 -28.331 1.00 0.00 H new ATOM 76 N SER A 9 -16.606 -25.083 -26.853 1.00 0.00 N ATOM 77 CA SER A 9 -17.956 -25.517 -26.512 1.00 0.00 C ATOM 78 C SER A 9 -18.717 -24.408 -25.791 1.00 0.00 C ATOM 79 O SER A 9 -18.246 -23.832 -24.810 1.00 0.00 O ATOM 80 CB SER A 9 -17.906 -26.769 -25.634 1.00 0.00 C ATOM 81 OG SER A 9 -17.472 -27.895 -26.377 1.00 0.00 O ATOM 0 H SER A 9 -15.887 -25.383 -26.194 1.00 0.00 H new ATOM 0 HA SER A 9 -18.480 -25.752 -27.438 1.00 0.00 H new ATOM 0 HB2 SER A 9 -17.232 -26.601 -24.794 1.00 0.00 H new ATOM 0 HB3 SER A 9 -18.894 -26.964 -25.216 1.00 0.00 H new ATOM 0 HG SER A 9 -17.447 -28.682 -25.794 1.00 0.00 H new ATOM 87 N PRO A 10 -19.923 -24.099 -26.290 1.00 0.00 N ATOM 88 CA PRO A 10 -20.777 -23.057 -25.710 1.00 0.00 C ATOM 89 C PRO A 10 -21.333 -23.456 -24.347 1.00 0.00 C ATOM 90 O PRO A 10 -21.812 -24.575 -24.164 1.00 0.00 O ATOM 91 CB PRO A 10 -21.909 -22.918 -26.730 1.00 0.00 C ATOM 92 CG PRO A 10 -21.964 -24.238 -27.418 1.00 0.00 C ATOM 93 CD PRO A 10 -20.548 -24.743 -27.457 1.00 0.00 C ATOM 0 HA PRO A 10 -20.229 -22.132 -25.533 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -22.856 -22.687 -26.242 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -21.709 -22.112 -27.436 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -22.611 -24.931 -26.881 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -22.370 -24.137 -28.424 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -20.507 -25.830 -27.386 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -20.048 -24.465 -28.385 1.00 0.00 H new ATOM 101 N VAL A 11 -21.267 -22.532 -23.393 1.00 0.00 N ATOM 102 CA VAL A 11 -21.765 -22.787 -22.047 1.00 0.00 C ATOM 103 C VAL A 11 -22.355 -21.523 -21.431 1.00 0.00 C ATOM 104 O VAL A 11 -21.625 -20.622 -21.021 1.00 0.00 O ATOM 105 CB VAL A 11 -20.651 -23.321 -21.127 1.00 0.00 C ATOM 106 CG1 VAL A 11 -21.184 -23.552 -19.722 1.00 0.00 C ATOM 107 CG2 VAL A 11 -20.057 -24.600 -21.698 1.00 0.00 C ATOM 0 H VAL A 11 -20.874 -21.601 -23.528 1.00 0.00 H new ATOM 0 HA VAL A 11 -22.545 -23.543 -22.137 1.00 0.00 H new ATOM 0 HB VAL A 11 -19.860 -22.573 -21.071 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -20.383 -23.929 -19.086 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -21.558 -22.612 -19.316 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -21.994 -24.280 -19.755 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -19.271 -24.964 -21.036 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -20.837 -25.356 -21.785 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -19.636 -24.398 -22.683 1.00 0.00 H new ATOM 117 N GLU A 12 -23.682 -21.465 -21.371 1.00 0.00 N ATOM 118 CA GLU A 12 -24.370 -20.310 -20.805 1.00 0.00 C ATOM 119 C GLU A 12 -24.113 -20.205 -19.304 1.00 0.00 C ATOM 120 O GLU A 12 -24.211 -21.192 -18.577 1.00 0.00 O ATOM 121 CB GLU A 12 -25.874 -20.404 -21.070 1.00 0.00 C ATOM 122 CG GLU A 12 -26.531 -21.614 -20.427 1.00 0.00 C ATOM 123 CD GLU A 12 -26.275 -22.895 -21.197 1.00 0.00 C ATOM 124 OE1 GLU A 12 -26.813 -23.032 -22.316 1.00 0.00 O ATOM 125 OE2 GLU A 12 -25.537 -23.760 -20.681 1.00 0.00 O ATOM 0 H GLU A 12 -24.301 -22.203 -21.707 1.00 0.00 H new ATOM 0 HA GLU A 12 -23.978 -19.414 -21.287 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -26.357 -19.500 -20.700 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -26.043 -20.438 -22.146 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -26.159 -21.726 -19.409 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -27.606 -21.445 -20.357 1.00 0.00 H new ATOM 132 N ASN A 13 -23.782 -19.001 -18.850 1.00 0.00 N ATOM 133 CA ASN A 13 -23.510 -18.766 -17.436 1.00 0.00 C ATOM 134 C ASN A 13 -23.744 -17.303 -17.073 1.00 0.00 C ATOM 135 O ASN A 13 -23.577 -16.410 -17.905 1.00 0.00 O ATOM 136 CB ASN A 13 -22.071 -19.162 -17.101 1.00 0.00 C ATOM 137 CG ASN A 13 -21.738 -18.945 -15.637 1.00 0.00 C ATOM 138 OD1 ASN A 13 -22.491 -19.349 -14.751 1.00 0.00 O ATOM 139 ND2 ASN A 13 -20.604 -18.304 -15.377 1.00 0.00 N ATOM 0 H ASN A 13 -23.696 -18.173 -19.440 1.00 0.00 H new ATOM 0 HA ASN A 13 -24.195 -19.381 -16.852 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -21.917 -20.211 -17.354 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -21.384 -18.581 -17.717 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -20.327 -18.129 -14.411 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -20.010 -17.987 -16.143 1.00 0.00 H new ATOM 146 N LYS A 14 -24.130 -17.063 -15.825 1.00 0.00 N ATOM 147 CA LYS A 14 -24.386 -15.709 -15.349 1.00 0.00 C ATOM 148 C LYS A 14 -23.168 -14.817 -15.566 1.00 0.00 C ATOM 149 O LYS A 14 -22.040 -15.302 -15.653 1.00 0.00 O ATOM 150 CB LYS A 14 -24.758 -15.730 -13.864 1.00 0.00 C ATOM 151 CG LYS A 14 -23.602 -16.104 -12.953 1.00 0.00 C ATOM 152 CD LYS A 14 -24.094 -16.635 -11.617 1.00 0.00 C ATOM 153 CE LYS A 14 -24.327 -18.138 -11.666 1.00 0.00 C ATOM 154 NZ LYS A 14 -24.654 -18.692 -10.323 1.00 0.00 N ATOM 0 H LYS A 14 -24.273 -17.790 -15.124 1.00 0.00 H new ATOM 0 HA LYS A 14 -25.220 -15.301 -15.920 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -25.132 -14.747 -13.578 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -25.573 -16.438 -13.712 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -22.983 -16.858 -13.440 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -22.970 -15.231 -12.788 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -23.364 -16.404 -10.841 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -25.021 -16.131 -11.343 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -25.141 -18.357 -12.357 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -23.436 -18.631 -12.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -24.806 -19.718 -10.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -23.867 -18.505 -9.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -25.518 -18.240 -9.962 1.00 0.00 H new ATOM 168 N GLU A 15 -23.403 -13.511 -15.651 1.00 0.00 N ATOM 169 CA GLU A 15 -22.324 -12.553 -15.858 1.00 0.00 C ATOM 170 C GLU A 15 -22.220 -11.588 -14.680 1.00 0.00 C ATOM 171 O GLU A 15 -23.231 -11.158 -14.124 1.00 0.00 O ATOM 172 CB GLU A 15 -22.548 -11.771 -17.154 1.00 0.00 C ATOM 173 CG GLU A 15 -21.981 -12.458 -18.385 1.00 0.00 C ATOM 174 CD GLU A 15 -20.466 -12.518 -18.373 1.00 0.00 C ATOM 175 OE1 GLU A 15 -19.913 -13.453 -17.757 1.00 0.00 O ATOM 176 OE2 GLU A 15 -19.833 -11.630 -18.982 1.00 0.00 O ATOM 0 H GLU A 15 -24.331 -13.093 -15.580 1.00 0.00 H new ATOM 0 HA GLU A 15 -21.389 -13.108 -15.934 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -23.618 -11.616 -17.295 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -22.094 -10.785 -17.057 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -22.381 -13.470 -18.448 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -22.313 -11.928 -19.278 1.00 0.00 H new ATOM 183 N VAL A 16 -20.990 -11.253 -14.304 1.00 0.00 N ATOM 184 CA VAL A 16 -20.753 -10.339 -13.192 1.00 0.00 C ATOM 185 C VAL A 16 -19.606 -9.384 -13.502 1.00 0.00 C ATOM 186 O VAL A 16 -18.679 -9.727 -14.236 1.00 0.00 O ATOM 187 CB VAL A 16 -20.434 -11.104 -11.895 1.00 0.00 C ATOM 188 CG1 VAL A 16 -19.130 -11.875 -12.036 1.00 0.00 C ATOM 189 CG2 VAL A 16 -20.371 -10.147 -10.714 1.00 0.00 C ATOM 0 H VAL A 16 -20.142 -11.600 -14.753 1.00 0.00 H new ATOM 0 HA VAL A 16 -21.670 -9.767 -13.051 1.00 0.00 H new ATOM 0 HB VAL A 16 -21.234 -11.821 -11.711 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -18.921 -12.409 -11.109 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -19.216 -12.589 -12.855 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -18.317 -11.180 -12.245 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -20.145 -10.705 -9.805 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -19.592 -9.405 -10.888 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -21.332 -9.644 -10.601 1.00 0.00 H new ATOM 199 N TYR A 17 -19.675 -8.183 -12.937 1.00 0.00 N ATOM 200 CA TYR A 17 -18.642 -7.177 -13.154 1.00 0.00 C ATOM 201 C TYR A 17 -17.587 -7.232 -12.053 1.00 0.00 C ATOM 202 O TYR A 17 -17.757 -6.643 -10.986 1.00 0.00 O ATOM 203 CB TYR A 17 -19.266 -5.781 -13.209 1.00 0.00 C ATOM 204 CG TYR A 17 -20.405 -5.664 -14.196 1.00 0.00 C ATOM 205 CD1 TYR A 17 -20.361 -6.324 -15.418 1.00 0.00 C ATOM 206 CD2 TYR A 17 -21.525 -4.895 -13.906 1.00 0.00 C ATOM 207 CE1 TYR A 17 -21.399 -6.220 -16.323 1.00 0.00 C ATOM 208 CE2 TYR A 17 -22.569 -4.786 -14.805 1.00 0.00 C ATOM 209 CZ TYR A 17 -22.501 -5.450 -16.012 1.00 0.00 C ATOM 210 OH TYR A 17 -23.538 -5.345 -16.911 1.00 0.00 O ATOM 0 H TYR A 17 -20.435 -7.883 -12.326 1.00 0.00 H new ATOM 0 HA TYR A 17 -18.157 -7.390 -14.107 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -19.628 -5.515 -12.216 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -18.494 -5.057 -13.471 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -19.501 -6.928 -15.664 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -21.581 -4.373 -12.962 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -21.348 -6.739 -17.269 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -23.433 -4.184 -14.564 1.00 0.00 H new ATOM 0 HH TYR A 17 -24.237 -4.767 -16.539 1.00 0.00 H new ATOM 220 N GLN A 18 -16.498 -7.944 -12.322 1.00 0.00 N ATOM 221 CA GLN A 18 -15.415 -8.077 -11.355 1.00 0.00 C ATOM 222 C GLN A 18 -14.380 -6.973 -11.542 1.00 0.00 C ATOM 223 O GLN A 18 -14.191 -6.465 -12.647 1.00 0.00 O ATOM 224 CB GLN A 18 -14.747 -9.447 -11.492 1.00 0.00 C ATOM 225 CG GLN A 18 -15.317 -10.498 -10.553 1.00 0.00 C ATOM 226 CD GLN A 18 -15.222 -11.900 -11.121 1.00 0.00 C ATOM 227 OE1 GLN A 18 -16.200 -12.441 -11.637 1.00 0.00 O ATOM 228 NE2 GLN A 18 -14.039 -12.498 -11.029 1.00 0.00 N ATOM 0 H GLN A 18 -16.342 -8.437 -13.201 1.00 0.00 H new ATOM 0 HA GLN A 18 -15.840 -7.986 -10.356 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -14.855 -9.793 -12.520 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -13.679 -9.342 -11.301 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -14.784 -10.458 -9.603 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -16.361 -10.265 -10.343 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -13.255 -12.013 -10.593 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -13.915 -13.442 -11.394 1.00 0.00 H new ATOM 237 N CYS A 19 -13.713 -6.604 -10.453 1.00 0.00 N ATOM 238 CA CYS A 19 -12.698 -5.559 -10.495 1.00 0.00 C ATOM 239 C CYS A 19 -11.404 -6.082 -11.112 1.00 0.00 C ATOM 240 O CYS A 19 -10.959 -7.187 -10.802 1.00 0.00 O ATOM 241 CB CYS A 19 -12.426 -5.025 -9.087 1.00 0.00 C ATOM 242 SG CYS A 19 -11.126 -3.751 -9.012 1.00 0.00 S ATOM 0 H CYS A 19 -13.858 -7.014 -9.530 1.00 0.00 H new ATOM 0 HA CYS A 19 -13.074 -4.747 -11.117 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -13.349 -4.610 -8.683 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -12.141 -5.857 -8.443 1.00 0.00 H new ATOM 247 N ARG A 20 -10.804 -5.279 -11.985 1.00 0.00 N ATOM 248 CA ARG A 20 -9.561 -5.661 -12.645 1.00 0.00 C ATOM 249 C ARG A 20 -8.365 -5.438 -11.724 1.00 0.00 C ATOM 250 O ARG A 20 -7.224 -5.355 -12.180 1.00 0.00 O ATOM 251 CB ARG A 20 -9.380 -4.863 -13.937 1.00 0.00 C ATOM 252 CG ARG A 20 -10.366 -5.240 -15.030 1.00 0.00 C ATOM 253 CD ARG A 20 -10.069 -6.620 -15.597 1.00 0.00 C ATOM 254 NE ARG A 20 -9.071 -6.571 -16.661 1.00 0.00 N ATOM 255 CZ ARG A 20 -8.258 -7.580 -16.954 1.00 0.00 C ATOM 256 NH1 ARG A 20 -8.327 -8.712 -16.266 1.00 0.00 N ATOM 257 NH2 ARG A 20 -7.376 -7.460 -17.938 1.00 0.00 N ATOM 0 H ARG A 20 -11.158 -4.360 -12.252 1.00 0.00 H new ATOM 0 HA ARG A 20 -9.618 -6.722 -12.886 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -9.485 -3.801 -13.716 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -8.366 -5.013 -14.307 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -11.380 -5.220 -14.630 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -10.325 -4.500 -15.830 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -9.715 -7.272 -14.798 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -10.989 -7.059 -15.983 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.994 -5.715 -17.210 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.005 -8.809 -15.510 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -7.702 -9.485 -16.493 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -7.321 -6.592 -18.471 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -6.753 -8.236 -18.162 1.00 0.00 H new ATOM 271 N LEU A 21 -8.634 -5.340 -10.427 1.00 0.00 N ATOM 272 CA LEU A 21 -7.580 -5.126 -9.441 1.00 0.00 C ATOM 273 C LEU A 21 -7.617 -6.203 -8.362 1.00 0.00 C ATOM 274 O LEU A 21 -6.605 -6.844 -8.074 1.00 0.00 O ATOM 275 CB LEU A 21 -7.725 -3.743 -8.803 1.00 0.00 C ATOM 276 CG LEU A 21 -7.957 -2.580 -9.768 1.00 0.00 C ATOM 277 CD1 LEU A 21 -8.269 -1.304 -9.000 1.00 0.00 C ATOM 278 CD2 LEU A 21 -6.744 -2.381 -10.665 1.00 0.00 C ATOM 0 H LEU A 21 -9.573 -5.405 -10.033 1.00 0.00 H new ATOM 0 HA LEU A 21 -6.620 -5.184 -9.953 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -8.556 -3.775 -8.098 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -6.825 -3.535 -8.225 1.00 0.00 H new ATOM 0 HG LEU A 21 -8.814 -2.820 -10.397 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -8.431 -0.487 -9.703 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -9.167 -1.451 -8.400 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -7.432 -1.059 -8.346 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.927 -1.549 -11.345 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.870 -2.163 -10.052 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -6.565 -3.289 -11.242 1.00 0.00 H new ATOM 290 N CYS A 22 -8.790 -6.400 -7.769 1.00 0.00 N ATOM 291 CA CYS A 22 -8.960 -7.400 -6.723 1.00 0.00 C ATOM 292 C CYS A 22 -10.003 -8.438 -7.127 1.00 0.00 C ATOM 293 O CYS A 22 -10.443 -9.243 -6.308 1.00 0.00 O ATOM 294 CB CYS A 22 -9.373 -6.731 -5.410 1.00 0.00 C ATOM 295 SG CYS A 22 -10.878 -5.713 -5.535 1.00 0.00 S ATOM 0 H CYS A 22 -9.637 -5.879 -7.996 1.00 0.00 H new ATOM 0 HA CYS A 22 -8.005 -7.906 -6.581 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -9.530 -7.502 -4.656 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -8.552 -6.105 -5.060 1.00 0.00 H new ATOM 300 N ASN A 23 -10.395 -8.412 -8.397 1.00 0.00 N ATOM 301 CA ASN A 23 -11.387 -9.349 -8.911 1.00 0.00 C ATOM 302 C ASN A 23 -12.583 -9.446 -7.969 1.00 0.00 C ATOM 303 O ASN A 23 -13.145 -10.522 -7.771 1.00 0.00 O ATOM 304 CB ASN A 23 -10.761 -10.732 -9.101 1.00 0.00 C ATOM 305 CG ASN A 23 -10.126 -11.260 -7.829 1.00 0.00 C ATOM 306 OD1 ASN A 23 -8.902 -11.299 -7.702 1.00 0.00 O ATOM 307 ND2 ASN A 23 -10.959 -11.669 -6.878 1.00 0.00 N ATOM 0 H ASN A 23 -10.040 -7.752 -9.089 1.00 0.00 H new ATOM 0 HA ASN A 23 -11.735 -8.979 -9.875 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -11.526 -11.431 -9.439 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -10.007 -10.681 -9.886 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -10.591 -12.033 -5.999 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -11.967 -11.618 -7.026 1.00 0.00 H new ATOM 314 N ALA A 24 -12.968 -8.312 -7.392 1.00 0.00 N ATOM 315 CA ALA A 24 -14.099 -8.267 -6.474 1.00 0.00 C ATOM 316 C ALA A 24 -15.403 -8.012 -7.222 1.00 0.00 C ATOM 317 O ALA A 24 -15.571 -6.974 -7.862 1.00 0.00 O ATOM 318 CB ALA A 24 -13.877 -7.198 -5.415 1.00 0.00 C ATOM 0 H ALA A 24 -12.513 -7.412 -7.544 1.00 0.00 H new ATOM 0 HA ALA A 24 -14.176 -9.237 -5.983 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -14.730 -7.176 -4.736 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -12.971 -7.425 -4.853 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -13.771 -6.226 -5.896 1.00 0.00 H new ATOM 324 N LYS A 25 -16.325 -8.966 -7.137 1.00 0.00 N ATOM 325 CA LYS A 25 -17.615 -8.845 -7.805 1.00 0.00 C ATOM 326 C LYS A 25 -18.319 -7.554 -7.400 1.00 0.00 C ATOM 327 O LYS A 25 -18.469 -7.263 -6.212 1.00 0.00 O ATOM 328 CB LYS A 25 -18.501 -10.047 -7.470 1.00 0.00 C ATOM 329 CG LYS A 25 -18.037 -11.342 -8.113 1.00 0.00 C ATOM 330 CD LYS A 25 -18.556 -12.556 -7.361 1.00 0.00 C ATOM 331 CE LYS A 25 -17.946 -13.844 -7.893 1.00 0.00 C ATOM 332 NZ LYS A 25 -16.658 -14.167 -7.219 1.00 0.00 N ATOM 0 H LYS A 25 -16.202 -9.832 -6.612 1.00 0.00 H new ATOM 0 HA LYS A 25 -17.438 -8.820 -8.880 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -18.528 -10.178 -6.388 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -19.521 -9.837 -7.791 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -18.380 -11.379 -9.147 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -16.948 -11.367 -8.138 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -18.326 -12.454 -6.300 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -19.641 -12.603 -7.449 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -18.648 -14.665 -7.748 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -17.781 -13.752 -8.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -16.274 -15.051 -7.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -15.980 -13.395 -7.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -16.819 -14.281 -6.198 1.00 0.00 H new ATOM 346 N LEU A 26 -18.749 -6.783 -8.393 1.00 0.00 N ATOM 347 CA LEU A 26 -19.439 -5.523 -8.139 1.00 0.00 C ATOM 348 C LEU A 26 -20.951 -5.721 -8.135 1.00 0.00 C ATOM 349 O LEU A 26 -21.447 -6.793 -8.479 1.00 0.00 O ATOM 350 CB LEU A 26 -19.052 -4.486 -9.195 1.00 0.00 C ATOM 351 CG LEU A 26 -17.770 -3.698 -8.924 1.00 0.00 C ATOM 352 CD1 LEU A 26 -17.722 -3.239 -7.475 1.00 0.00 C ATOM 353 CD2 LEU A 26 -16.546 -4.538 -9.260 1.00 0.00 C ATOM 0 H LEU A 26 -18.632 -7.008 -9.381 1.00 0.00 H new ATOM 0 HA LEU A 26 -19.136 -5.163 -7.156 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -18.946 -4.995 -10.153 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -19.875 -3.778 -9.299 1.00 0.00 H new ATOM 0 HG LEU A 26 -17.767 -2.815 -9.564 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -16.803 -2.680 -7.301 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -18.580 -2.600 -7.267 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -17.749 -4.108 -6.817 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -15.643 -3.961 -9.061 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -16.544 -5.439 -8.647 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -16.574 -4.816 -10.313 1.00 0.00 H new ATOM 365 N SER A 27 -21.678 -4.679 -7.745 1.00 0.00 N ATOM 366 CA SER A 27 -23.134 -4.739 -7.695 1.00 0.00 C ATOM 367 C SER A 27 -23.745 -4.200 -8.985 1.00 0.00 C ATOM 368 O SER A 27 -24.933 -4.386 -9.247 1.00 0.00 O ATOM 369 CB SER A 27 -23.657 -3.942 -6.498 1.00 0.00 C ATOM 370 OG SER A 27 -24.971 -4.344 -6.153 1.00 0.00 O ATOM 0 H SER A 27 -21.283 -3.783 -7.459 1.00 0.00 H new ATOM 0 HA SER A 27 -23.426 -5.783 -7.584 1.00 0.00 H new ATOM 0 HB2 SER A 27 -22.994 -4.084 -5.645 1.00 0.00 H new ATOM 0 HB3 SER A 27 -23.649 -2.878 -6.734 1.00 0.00 H new ATOM 0 HG SER A 27 -25.471 -4.562 -6.967 1.00 0.00 H new ATOM 376 N SER A 28 -22.923 -3.531 -9.787 1.00 0.00 N ATOM 377 CA SER A 28 -23.382 -2.962 -11.049 1.00 0.00 C ATOM 378 C SER A 28 -22.209 -2.413 -11.856 1.00 0.00 C ATOM 379 O SER A 28 -21.096 -2.281 -11.344 1.00 0.00 O ATOM 380 CB SER A 28 -24.402 -1.851 -10.790 1.00 0.00 C ATOM 381 OG SER A 28 -25.712 -2.378 -10.675 1.00 0.00 O ATOM 0 H SER A 28 -21.936 -3.370 -9.586 1.00 0.00 H new ATOM 0 HA SER A 28 -23.857 -3.755 -11.626 1.00 0.00 H new ATOM 0 HB2 SER A 28 -24.140 -1.318 -9.876 1.00 0.00 H new ATOM 0 HB3 SER A 28 -24.369 -1.126 -11.603 1.00 0.00 H new ATOM 0 HG SER A 28 -25.688 -3.201 -10.143 1.00 0.00 H new ATOM 387 N LEU A 29 -22.466 -2.096 -13.120 1.00 0.00 N ATOM 388 CA LEU A 29 -21.432 -1.561 -14.000 1.00 0.00 C ATOM 389 C LEU A 29 -20.794 -0.314 -13.395 1.00 0.00 C ATOM 390 O LEU A 29 -19.581 -0.121 -13.482 1.00 0.00 O ATOM 391 CB LEU A 29 -22.023 -1.231 -15.372 1.00 0.00 C ATOM 392 CG LEU A 29 -21.064 -1.335 -16.558 1.00 0.00 C ATOM 393 CD1 LEU A 29 -20.779 -2.792 -16.888 1.00 0.00 C ATOM 394 CD2 LEU A 29 -21.635 -0.614 -17.770 1.00 0.00 C ATOM 0 H LEU A 29 -23.381 -2.200 -13.559 1.00 0.00 H new ATOM 0 HA LEU A 29 -20.660 -2.321 -14.117 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -22.866 -1.898 -15.552 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -22.421 -0.217 -15.340 1.00 0.00 H new ATOM 0 HG LEU A 29 -20.124 -0.855 -16.284 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -20.095 -2.846 -17.735 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -20.327 -3.279 -16.024 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -21.711 -3.297 -17.142 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -20.939 -0.698 -18.605 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -22.589 -1.065 -18.046 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -21.787 0.438 -17.529 1.00 0.00 H new ATOM 406 N LEU A 30 -21.618 0.527 -12.781 1.00 0.00 N ATOM 407 CA LEU A 30 -21.135 1.755 -12.159 1.00 0.00 C ATOM 408 C LEU A 30 -20.125 1.446 -11.058 1.00 0.00 C ATOM 409 O LEU A 30 -18.996 1.935 -11.085 1.00 0.00 O ATOM 410 CB LEU A 30 -22.305 2.554 -11.584 1.00 0.00 C ATOM 411 CG LEU A 30 -22.076 4.057 -11.421 1.00 0.00 C ATOM 412 CD1 LEU A 30 -23.400 4.805 -11.449 1.00 0.00 C ATOM 413 CD2 LEU A 30 -21.326 4.345 -10.128 1.00 0.00 C ATOM 0 H LEU A 30 -22.624 0.381 -12.700 1.00 0.00 H new ATOM 0 HA LEU A 30 -20.639 2.351 -12.925 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -23.171 2.407 -12.229 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -22.559 2.138 -10.609 1.00 0.00 H new ATOM 0 HG LEU A 30 -21.468 4.405 -12.256 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -23.217 5.873 -11.332 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -23.900 4.625 -12.401 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -24.034 4.454 -10.635 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -21.172 5.419 -10.028 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -21.908 3.982 -9.281 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -20.360 3.840 -10.147 1.00 0.00 H new ATOM 425 N GLU A 31 -20.539 0.632 -10.093 1.00 0.00 N ATOM 426 CA GLU A 31 -19.669 0.257 -8.985 1.00 0.00 C ATOM 427 C GLU A 31 -18.289 -0.154 -9.490 1.00 0.00 C ATOM 428 O GLU A 31 -17.290 -0.002 -8.788 1.00 0.00 O ATOM 429 CB GLU A 31 -20.292 -0.887 -8.182 1.00 0.00 C ATOM 430 CG GLU A 31 -19.941 -0.856 -6.704 1.00 0.00 C ATOM 431 CD GLU A 31 -20.873 -1.708 -5.865 1.00 0.00 C ATOM 432 OE1 GLU A 31 -20.723 -2.948 -5.884 1.00 0.00 O ATOM 433 OE2 GLU A 31 -21.753 -1.135 -5.190 1.00 0.00 O ATOM 0 H GLU A 31 -21.471 0.220 -10.056 1.00 0.00 H new ATOM 0 HA GLU A 31 -19.555 1.126 -8.337 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -21.376 -0.847 -8.290 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -19.964 -1.837 -8.605 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -18.917 -1.205 -6.570 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -19.976 0.173 -6.348 1.00 0.00 H new ATOM 440 N GLN A 32 -18.245 -0.675 -10.712 1.00 0.00 N ATOM 441 CA GLN A 32 -16.988 -1.109 -11.311 1.00 0.00 C ATOM 442 C GLN A 32 -16.127 0.089 -11.699 1.00 0.00 C ATOM 443 O GLN A 32 -14.915 0.087 -11.493 1.00 0.00 O ATOM 444 CB GLN A 32 -17.258 -1.978 -12.541 1.00 0.00 C ATOM 445 CG GLN A 32 -16.045 -2.764 -13.009 1.00 0.00 C ATOM 446 CD GLN A 32 -16.316 -3.561 -14.270 1.00 0.00 C ATOM 447 OE1 GLN A 32 -17.351 -3.390 -14.915 1.00 0.00 O ATOM 448 NE2 GLN A 32 -15.386 -4.438 -14.628 1.00 0.00 N ATOM 0 H GLN A 32 -19.064 -0.807 -11.306 1.00 0.00 H new ATOM 0 HA GLN A 32 -16.446 -1.698 -10.571 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -18.066 -2.674 -12.314 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -17.605 -1.342 -13.356 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -15.219 -2.076 -13.189 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -15.728 -3.442 -12.216 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -14.543 -4.547 -14.064 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -15.514 -5.003 -15.468 1.00 0.00 H new ATOM 457 N GLY A 33 -16.764 1.111 -12.263 1.00 0.00 N ATOM 458 CA GLY A 33 -16.041 2.301 -12.671 1.00 0.00 C ATOM 459 C GLY A 33 -15.619 3.156 -11.493 1.00 0.00 C ATOM 460 O GLY A 33 -14.590 3.829 -11.542 1.00 0.00 O ATOM 0 H GLY A 33 -17.767 1.136 -12.444 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -15.158 2.009 -13.239 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -16.668 2.892 -13.339 1.00 0.00 H new ATOM 464 N SER A 34 -16.418 3.132 -10.431 1.00 0.00 N ATOM 465 CA SER A 34 -16.125 3.916 -9.236 1.00 0.00 C ATOM 466 C SER A 34 -15.180 3.159 -8.308 1.00 0.00 C ATOM 467 O SER A 34 -14.190 3.710 -7.827 1.00 0.00 O ATOM 468 CB SER A 34 -17.419 4.259 -8.496 1.00 0.00 C ATOM 469 OG SER A 34 -18.048 5.393 -9.067 1.00 0.00 O ATOM 0 H SER A 34 -17.273 2.579 -10.373 1.00 0.00 H new ATOM 0 HA SER A 34 -15.637 4.840 -9.548 1.00 0.00 H new ATOM 0 HB2 SER A 34 -18.098 3.407 -8.530 1.00 0.00 H new ATOM 0 HB3 SER A 34 -17.201 4.451 -7.445 1.00 0.00 H new ATOM 0 HG SER A 34 -18.874 5.590 -8.577 1.00 0.00 H new ATOM 475 N HIS A 35 -15.494 1.891 -8.061 1.00 0.00 N ATOM 476 CA HIS A 35 -14.673 1.056 -7.190 1.00 0.00 C ATOM 477 C HIS A 35 -13.208 1.105 -7.615 1.00 0.00 C ATOM 478 O HIS A 35 -12.309 0.922 -6.795 1.00 0.00 O ATOM 479 CB HIS A 35 -15.174 -0.388 -7.212 1.00 0.00 C ATOM 480 CG HIS A 35 -14.267 -1.347 -6.505 1.00 0.00 C ATOM 481 ND1 HIS A 35 -14.356 -1.612 -5.155 1.00 0.00 N ATOM 482 CD2 HIS A 35 -13.250 -2.110 -6.970 1.00 0.00 C ATOM 483 CE1 HIS A 35 -13.431 -2.493 -4.819 1.00 0.00 C ATOM 484 NE2 HIS A 35 -12.747 -2.812 -5.903 1.00 0.00 N ATOM 0 H HIS A 35 -16.310 1.419 -8.451 1.00 0.00 H new ATOM 0 HA HIS A 35 -14.752 1.444 -6.175 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -16.161 -0.428 -6.752 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -15.291 -0.708 -8.247 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -15.031 -1.193 -4.515 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -12.900 -2.158 -7.990 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -13.263 -2.886 -3.827 1.00 0.00 H new ATOM 492 N GLU A 36 -12.977 1.351 -8.900 1.00 0.00 N ATOM 493 CA GLU A 36 -11.621 1.422 -9.433 1.00 0.00 C ATOM 494 C GLU A 36 -10.917 2.691 -8.962 1.00 0.00 C ATOM 495 O GLU A 36 -9.690 2.738 -8.876 1.00 0.00 O ATOM 496 CB GLU A 36 -11.647 1.377 -10.962 1.00 0.00 C ATOM 497 CG GLU A 36 -11.714 -0.032 -11.528 1.00 0.00 C ATOM 498 CD GLU A 36 -11.027 -0.153 -12.874 1.00 0.00 C ATOM 499 OE1 GLU A 36 -11.384 0.612 -13.794 1.00 0.00 O ATOM 500 OE2 GLU A 36 -10.132 -1.013 -13.007 1.00 0.00 O ATOM 0 H GLU A 36 -13.711 1.505 -9.592 1.00 0.00 H new ATOM 0 HA GLU A 36 -11.066 0.560 -9.061 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -12.506 1.944 -11.319 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -10.756 1.872 -11.347 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -11.251 -0.724 -10.825 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -12.758 -0.330 -11.629 1.00 0.00 H new ATOM 507 N ARG A 37 -11.704 3.719 -8.660 1.00 0.00 N ATOM 508 CA ARG A 37 -11.157 4.990 -8.200 1.00 0.00 C ATOM 509 C ARG A 37 -10.590 4.859 -6.790 1.00 0.00 C ATOM 510 O ARG A 37 -9.487 5.329 -6.506 1.00 0.00 O ATOM 511 CB ARG A 37 -12.236 6.074 -8.229 1.00 0.00 C ATOM 512 CG ARG A 37 -12.449 6.685 -9.605 1.00 0.00 C ATOM 513 CD ARG A 37 -13.540 7.744 -9.581 1.00 0.00 C ATOM 514 NE ARG A 37 -13.078 8.994 -8.984 1.00 0.00 N ATOM 515 CZ ARG A 37 -13.147 9.257 -7.684 1.00 0.00 C ATOM 516 NH1 ARG A 37 -13.656 8.361 -6.849 1.00 0.00 N ATOM 517 NH2 ARG A 37 -12.705 10.417 -7.216 1.00 0.00 N ATOM 0 H ARG A 37 -12.722 3.696 -8.726 1.00 0.00 H new ATOM 0 HA ARG A 37 -10.348 5.274 -8.873 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -13.177 5.648 -7.880 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -11.965 6.864 -7.528 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -11.517 7.129 -9.956 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -12.716 5.902 -10.315 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -13.883 7.933 -10.598 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -14.396 7.369 -9.020 1.00 0.00 H new ATOM 0 HE ARG A 37 -12.681 9.704 -9.599 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -13.996 7.467 -7.205 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -13.708 8.566 -5.851 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -12.312 11.108 -7.855 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -12.759 10.618 -6.217 1.00 0.00 H new ATOM 531 N LEU A 38 -11.351 4.219 -5.909 1.00 0.00 N ATOM 532 CA LEU A 38 -10.925 4.027 -4.527 1.00 0.00 C ATOM 533 C LEU A 38 -9.986 2.831 -4.408 1.00 0.00 C ATOM 534 O LEU A 38 -9.079 2.820 -3.575 1.00 0.00 O ATOM 535 CB LEU A 38 -12.141 3.827 -3.621 1.00 0.00 C ATOM 536 CG LEU A 38 -13.318 3.070 -4.235 1.00 0.00 C ATOM 537 CD1 LEU A 38 -14.036 2.248 -3.176 1.00 0.00 C ATOM 538 CD2 LEU A 38 -14.283 4.037 -4.906 1.00 0.00 C ATOM 0 H LEU A 38 -12.266 3.824 -6.127 1.00 0.00 H new ATOM 0 HA LEU A 38 -10.387 4.921 -4.211 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -11.819 3.294 -2.727 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -12.494 4.807 -3.298 1.00 0.00 H new ATOM 0 HG LEU A 38 -12.931 2.389 -4.993 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -14.871 1.716 -3.632 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -13.342 1.529 -2.741 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -14.411 2.909 -2.394 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -15.115 3.480 -5.338 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -14.663 4.743 -4.167 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -13.763 4.582 -5.694 1.00 0.00 H new ATOM 550 N CYS A 39 -10.208 1.825 -5.248 1.00 0.00 N ATOM 551 CA CYS A 39 -9.381 0.624 -5.239 1.00 0.00 C ATOM 552 C CYS A 39 -8.046 0.878 -5.932 1.00 0.00 C ATOM 553 O CYS A 39 -7.274 -0.050 -6.175 1.00 0.00 O ATOM 554 CB CYS A 39 -10.114 -0.530 -5.927 1.00 0.00 C ATOM 555 SG CYS A 39 -9.195 -2.103 -5.922 1.00 0.00 S ATOM 0 H CYS A 39 -10.954 1.818 -5.944 1.00 0.00 H new ATOM 0 HA CYS A 39 -9.186 0.355 -4.201 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -11.075 -0.681 -5.434 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -10.326 -0.248 -6.959 1.00 0.00 H new ATOM 560 N ARG A 40 -7.780 2.141 -6.248 1.00 0.00 N ATOM 561 CA ARG A 40 -6.539 2.517 -6.914 1.00 0.00 C ATOM 562 C ARG A 40 -5.736 3.493 -6.058 1.00 0.00 C ATOM 563 O ARG A 40 -4.509 3.534 -6.132 1.00 0.00 O ATOM 564 CB ARG A 40 -6.836 3.145 -8.277 1.00 0.00 C ATOM 565 CG ARG A 40 -5.592 3.418 -9.106 1.00 0.00 C ATOM 566 CD ARG A 40 -5.238 2.231 -9.988 1.00 0.00 C ATOM 567 NE ARG A 40 -4.370 2.614 -11.098 1.00 0.00 N ATOM 568 CZ ARG A 40 -4.804 3.228 -12.194 1.00 0.00 C ATOM 569 NH1 ARG A 40 -6.088 3.527 -12.325 1.00 0.00 N ATOM 570 NH2 ARG A 40 -3.951 3.543 -13.160 1.00 0.00 N ATOM 0 H ARG A 40 -8.407 2.921 -6.053 1.00 0.00 H new ATOM 0 HA ARG A 40 -5.946 1.614 -7.059 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -7.497 2.483 -8.836 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -7.375 4.081 -8.127 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -5.754 4.299 -9.727 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -4.755 3.644 -8.445 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -4.743 1.468 -9.387 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -6.152 1.785 -10.380 1.00 0.00 H new ATOM 0 HE ARG A 40 -3.375 2.398 -11.028 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -6.746 3.286 -11.584 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -6.419 3.998 -13.167 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -2.962 3.314 -13.062 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -4.284 4.014 -14.001 1.00 0.00 H new ATOM 584 N ASN A 41 -6.439 4.275 -5.245 1.00 0.00 N ATOM 585 CA ASN A 41 -5.792 5.251 -4.376 1.00 0.00 C ATOM 586 C ASN A 41 -5.892 4.827 -2.914 1.00 0.00 C ATOM 587 O ASN A 41 -5.039 5.172 -2.097 1.00 0.00 O ATOM 588 CB ASN A 41 -6.427 6.631 -4.562 1.00 0.00 C ATOM 589 CG ASN A 41 -6.717 6.942 -6.018 1.00 0.00 C ATOM 590 OD1 ASN A 41 -5.847 6.808 -6.879 1.00 0.00 O ATOM 591 ND2 ASN A 41 -7.946 7.359 -6.300 1.00 0.00 N ATOM 0 H ASN A 41 -7.456 4.252 -5.170 1.00 0.00 H new ATOM 0 HA ASN A 41 -4.738 5.303 -4.651 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -7.354 6.681 -3.991 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -5.761 7.392 -4.156 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -8.200 7.583 -7.262 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -8.635 7.456 -5.554 1.00 0.00 H new ATOM 598 N ALA A 42 -6.940 4.076 -2.591 1.00 0.00 N ATOM 599 CA ALA A 42 -7.150 3.602 -1.229 1.00 0.00 C ATOM 600 C ALA A 42 -5.822 3.378 -0.514 1.00 0.00 C ATOM 601 O ALA A 42 -5.516 4.048 0.472 1.00 0.00 O ATOM 602 CB ALA A 42 -7.970 2.320 -1.236 1.00 0.00 C ATOM 0 H ALA A 42 -7.657 3.783 -3.255 1.00 0.00 H new ATOM 0 HA ALA A 42 -7.701 4.370 -0.685 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -8.119 1.978 -0.212 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -8.938 2.510 -1.699 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.441 1.553 -1.802 1.00 0.00 H new ATOM 608 N ALA A 43 -5.036 2.432 -1.019 1.00 0.00 N ATOM 609 CA ALA A 43 -3.739 2.122 -0.429 1.00 0.00 C ATOM 610 C ALA A 43 -2.651 2.061 -1.496 1.00 0.00 C ATOM 611 O ALA A 43 -2.547 1.083 -2.236 1.00 0.00 O ATOM 612 CB ALA A 43 -3.808 0.807 0.333 1.00 0.00 C ATOM 0 H ALA A 43 -5.275 1.868 -1.834 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.483 2.921 0.268 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.833 0.587 0.768 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.551 0.885 1.127 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -4.089 0.005 -0.350 1.00 0.00 H new ATOM 618 N VAL A 44 -1.842 3.113 -1.570 1.00 0.00 N ATOM 619 CA VAL A 44 -0.762 3.180 -2.546 1.00 0.00 C ATOM 620 C VAL A 44 0.576 3.456 -1.868 1.00 0.00 C ATOM 621 O VAL A 44 0.871 4.590 -1.491 1.00 0.00 O ATOM 622 CB VAL A 44 -1.024 4.271 -3.601 1.00 0.00 C ATOM 623 CG1 VAL A 44 0.105 4.312 -4.619 1.00 0.00 C ATOM 624 CG2 VAL A 44 -2.363 4.038 -4.286 1.00 0.00 C ATOM 0 H VAL A 44 -1.915 3.931 -0.965 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.723 2.209 -3.040 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.062 5.237 -3.098 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -0.098 5.089 -5.356 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.045 4.530 -4.112 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.178 3.347 -5.120 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.532 4.818 -5.028 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.356 3.065 -4.777 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.161 4.064 -3.544 1.00 0.00 H new ATOM 634 N CYS A 45 1.382 2.411 -1.715 1.00 0.00 N ATOM 635 CA CYS A 45 2.689 2.539 -1.083 1.00 0.00 C ATOM 636 C CYS A 45 3.608 3.435 -1.908 1.00 0.00 C ATOM 637 O CYS A 45 3.928 3.144 -3.061 1.00 0.00 O ATOM 638 CB CYS A 45 3.329 1.161 -0.903 1.00 0.00 C ATOM 639 SG CYS A 45 4.897 1.184 0.024 1.00 0.00 S ATOM 0 H CYS A 45 1.152 1.465 -2.020 1.00 0.00 H new ATOM 0 HA CYS A 45 2.548 2.997 -0.104 1.00 0.00 H new ATOM 0 HB2 CYS A 45 2.624 0.509 -0.387 1.00 0.00 H new ATOM 0 HB3 CYS A 45 3.507 0.724 -1.886 1.00 0.00 H new ATOM 644 N PRO A 46 4.043 4.551 -1.305 1.00 0.00 N ATOM 645 CA PRO A 46 4.931 5.513 -1.965 1.00 0.00 C ATOM 646 C PRO A 46 6.337 4.958 -2.169 1.00 0.00 C ATOM 647 O PRO A 46 7.233 5.666 -2.628 1.00 0.00 O ATOM 648 CB PRO A 46 4.959 6.695 -0.994 1.00 0.00 C ATOM 649 CG PRO A 46 4.645 6.101 0.336 1.00 0.00 C ATOM 650 CD PRO A 46 3.701 4.961 0.067 1.00 0.00 C ATOM 0 HA PRO A 46 4.580 5.773 -2.964 1.00 0.00 H new ATOM 0 HB2 PRO A 46 5.935 7.181 -0.990 1.00 0.00 H new ATOM 0 HB3 PRO A 46 4.227 7.453 -1.272 1.00 0.00 H new ATOM 0 HG2 PRO A 46 5.551 5.750 0.830 1.00 0.00 H new ATOM 0 HG3 PRO A 46 4.188 6.839 0.995 1.00 0.00 H new ATOM 0 HD2 PRO A 46 3.843 4.146 0.777 1.00 0.00 H new ATOM 0 HD3 PRO A 46 2.660 5.274 0.145 1.00 0.00 H new ATOM 658 N TYR A 47 6.522 3.688 -1.825 1.00 0.00 N ATOM 659 CA TYR A 47 7.820 3.039 -1.969 1.00 0.00 C ATOM 660 C TYR A 47 7.871 2.200 -3.242 1.00 0.00 C ATOM 661 O TYR A 47 8.695 2.440 -4.125 1.00 0.00 O ATOM 662 CB TYR A 47 8.110 2.159 -0.752 1.00 0.00 C ATOM 663 CG TYR A 47 8.072 2.908 0.561 1.00 0.00 C ATOM 664 CD1 TYR A 47 8.590 4.193 0.665 1.00 0.00 C ATOM 665 CD2 TYR A 47 7.518 2.331 1.697 1.00 0.00 C ATOM 666 CE1 TYR A 47 8.557 4.881 1.862 1.00 0.00 C ATOM 667 CE2 TYR A 47 7.480 3.012 2.898 1.00 0.00 C ATOM 668 CZ TYR A 47 8.001 4.287 2.976 1.00 0.00 C ATOM 669 OH TYR A 47 7.966 4.968 4.171 1.00 0.00 O ATOM 0 H TYR A 47 5.790 3.088 -1.445 1.00 0.00 H new ATOM 0 HA TYR A 47 8.582 3.816 -2.037 1.00 0.00 H new ATOM 0 HB2 TYR A 47 7.382 1.348 -0.719 1.00 0.00 H new ATOM 0 HB3 TYR A 47 9.092 1.701 -0.871 1.00 0.00 H new ATOM 0 HD1 TYR A 47 9.026 4.662 -0.205 1.00 0.00 H new ATOM 0 HD2 TYR A 47 7.110 1.333 1.640 1.00 0.00 H new ATOM 0 HE1 TYR A 47 8.964 5.879 1.926 1.00 0.00 H new ATOM 0 HE2 TYR A 47 7.045 2.549 3.771 1.00 0.00 H new ATOM 0 HH TYR A 47 7.541 4.409 4.854 1.00 0.00 H new ATOM 679 N CYS A 48 6.984 1.214 -3.329 1.00 0.00 N ATOM 680 CA CYS A 48 6.926 0.338 -4.492 1.00 0.00 C ATOM 681 C CYS A 48 5.730 0.683 -5.375 1.00 0.00 C ATOM 682 O CYS A 48 5.551 0.109 -6.448 1.00 0.00 O ATOM 683 CB CYS A 48 6.843 -1.125 -4.052 1.00 0.00 C ATOM 684 SG CYS A 48 5.495 -1.472 -2.876 1.00 0.00 S ATOM 0 H CYS A 48 6.295 1.002 -2.607 1.00 0.00 H new ATOM 0 HA CYS A 48 7.838 0.485 -5.071 1.00 0.00 H new ATOM 0 HB2 CYS A 48 6.712 -1.752 -4.934 1.00 0.00 H new ATOM 0 HB3 CYS A 48 7.791 -1.411 -3.596 1.00 0.00 H new ATOM 689 N SER A 49 4.915 1.627 -4.914 1.00 0.00 N ATOM 690 CA SER A 49 3.734 2.047 -5.658 1.00 0.00 C ATOM 691 C SER A 49 2.744 0.895 -5.804 1.00 0.00 C ATOM 692 O SER A 49 2.222 0.643 -6.890 1.00 0.00 O ATOM 693 CB SER A 49 4.135 2.567 -7.040 1.00 0.00 C ATOM 694 OG SER A 49 4.894 3.759 -6.936 1.00 0.00 O ATOM 0 H SER A 49 5.051 2.115 -4.029 1.00 0.00 H new ATOM 0 HA SER A 49 3.251 2.849 -5.101 1.00 0.00 H new ATOM 0 HB2 SER A 49 4.715 1.807 -7.564 1.00 0.00 H new ATOM 0 HB3 SER A 49 3.241 2.752 -7.636 1.00 0.00 H new ATOM 0 HG SER A 49 5.139 4.070 -7.832 1.00 0.00 H new ATOM 700 N LEU A 50 2.492 0.198 -4.701 1.00 0.00 N ATOM 701 CA LEU A 50 1.565 -0.928 -4.703 1.00 0.00 C ATOM 702 C LEU A 50 0.119 -0.444 -4.661 1.00 0.00 C ATOM 703 O LEU A 50 -0.143 0.759 -4.651 1.00 0.00 O ATOM 704 CB LEU A 50 1.843 -1.845 -3.511 1.00 0.00 C ATOM 705 CG LEU A 50 2.791 -3.016 -3.771 1.00 0.00 C ATOM 706 CD1 LEU A 50 3.244 -3.638 -2.460 1.00 0.00 C ATOM 707 CD2 LEU A 50 2.120 -4.059 -4.654 1.00 0.00 C ATOM 0 H LEU A 50 2.917 0.393 -3.794 1.00 0.00 H new ATOM 0 HA LEU A 50 1.714 -1.488 -5.626 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.256 -1.242 -2.703 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.893 -2.245 -3.156 1.00 0.00 H new ATOM 0 HG LEU A 50 3.670 -2.638 -4.293 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.918 -4.470 -2.666 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.764 -2.889 -1.862 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.376 -4.002 -1.911 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.809 -4.885 -4.829 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.224 -4.433 -4.159 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.846 -3.607 -5.607 1.00 0.00 H new ATOM 719 N ARG A 51 -0.815 -1.389 -4.633 1.00 0.00 N ATOM 720 CA ARG A 51 -2.235 -1.058 -4.591 1.00 0.00 C ATOM 721 C ARG A 51 -3.024 -2.142 -3.862 1.00 0.00 C ATOM 722 O ARG A 51 -3.257 -3.224 -4.402 1.00 0.00 O ATOM 723 CB ARG A 51 -2.782 -0.880 -6.008 1.00 0.00 C ATOM 724 CG ARG A 51 -2.194 0.313 -6.743 1.00 0.00 C ATOM 725 CD ARG A 51 -2.533 0.278 -8.225 1.00 0.00 C ATOM 726 NE ARG A 51 -1.711 -0.686 -8.951 1.00 0.00 N ATOM 727 CZ ARG A 51 -2.016 -1.151 -10.157 1.00 0.00 C ATOM 728 NH1 ARG A 51 -3.119 -0.742 -10.769 1.00 0.00 N ATOM 729 NH2 ARG A 51 -1.218 -2.026 -10.754 1.00 0.00 N ATOM 0 H ARG A 51 -0.615 -2.389 -4.639 1.00 0.00 H new ATOM 0 HA ARG A 51 -2.348 -0.121 -4.046 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.581 -1.785 -6.582 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -3.865 -0.768 -5.959 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -2.574 1.235 -6.304 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -1.111 0.322 -6.617 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -3.586 0.024 -8.350 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -2.391 1.270 -8.653 1.00 0.00 H new ATOM 0 HE ARG A 51 -0.856 -1.021 -8.508 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -3.735 -0.069 -10.314 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -3.351 -1.101 -11.695 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -0.368 -2.343 -10.287 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -1.454 -2.382 -11.680 1.00 0.00 H new ATOM 743 N PHE A 52 -3.431 -1.845 -2.632 1.00 0.00 N ATOM 744 CA PHE A 52 -4.192 -2.794 -1.828 1.00 0.00 C ATOM 745 C PHE A 52 -5.661 -2.387 -1.752 1.00 0.00 C ATOM 746 O PHE A 52 -5.988 -1.200 -1.743 1.00 0.00 O ATOM 747 CB PHE A 52 -3.603 -2.888 -0.419 1.00 0.00 C ATOM 748 CG PHE A 52 -2.185 -3.382 -0.394 1.00 0.00 C ATOM 749 CD1 PHE A 52 -1.140 -2.544 -0.749 1.00 0.00 C ATOM 750 CD2 PHE A 52 -1.896 -4.683 -0.015 1.00 0.00 C ATOM 751 CE1 PHE A 52 0.166 -2.995 -0.728 1.00 0.00 C ATOM 752 CE2 PHE A 52 -0.592 -5.140 0.009 1.00 0.00 C ATOM 753 CZ PHE A 52 0.441 -4.294 -0.347 1.00 0.00 C ATOM 0 H PHE A 52 -3.246 -0.954 -2.170 1.00 0.00 H new ATOM 0 HA PHE A 52 -4.128 -3.771 -2.307 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -3.645 -1.905 0.050 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.222 -3.555 0.181 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -1.349 -1.527 -1.046 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.700 -5.348 0.265 1.00 0.00 H new ATOM 0 HE1 PHE A 52 0.971 -2.332 -1.009 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -0.381 -6.157 0.306 1.00 0.00 H new ATOM 0 HZ PHE A 52 1.461 -4.648 -0.327 1.00 0.00 H new ATOM 763 N PHE A 53 -6.542 -3.380 -1.698 1.00 0.00 N ATOM 764 CA PHE A 53 -7.976 -3.127 -1.624 1.00 0.00 C ATOM 765 C PHE A 53 -8.284 -2.042 -0.595 1.00 0.00 C ATOM 766 O PHE A 53 -8.991 -1.078 -0.888 1.00 0.00 O ATOM 767 CB PHE A 53 -8.724 -4.412 -1.266 1.00 0.00 C ATOM 768 CG PHE A 53 -10.092 -4.170 -0.693 1.00 0.00 C ATOM 769 CD1 PHE A 53 -10.856 -3.097 -1.121 1.00 0.00 C ATOM 770 CD2 PHE A 53 -10.613 -5.016 0.273 1.00 0.00 C ATOM 771 CE1 PHE A 53 -12.115 -2.871 -0.596 1.00 0.00 C ATOM 772 CE2 PHE A 53 -11.871 -4.796 0.800 1.00 0.00 C ATOM 773 CZ PHE A 53 -12.622 -3.722 0.366 1.00 0.00 C ATOM 0 H PHE A 53 -6.288 -4.368 -1.704 1.00 0.00 H new ATOM 0 HA PHE A 53 -8.310 -2.781 -2.602 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -8.817 -5.030 -2.159 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -8.133 -4.979 -0.547 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -10.464 -2.429 -1.874 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -10.029 -5.857 0.618 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -12.701 -2.030 -0.938 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -12.267 -5.464 1.551 1.00 0.00 H new ATOM 0 HZ PHE A 53 -13.605 -3.548 0.778 1.00 0.00 H new ATOM 783 N SER A 54 -7.749 -2.209 0.610 1.00 0.00 N ATOM 784 CA SER A 54 -7.970 -1.247 1.684 1.00 0.00 C ATOM 785 C SER A 54 -6.665 -0.561 2.076 1.00 0.00 C ATOM 786 O SER A 54 -5.570 -1.078 1.852 1.00 0.00 O ATOM 787 CB SER A 54 -8.580 -1.943 2.902 1.00 0.00 C ATOM 788 OG SER A 54 -9.988 -2.044 2.780 1.00 0.00 O ATOM 0 H SER A 54 -7.160 -3.001 0.867 1.00 0.00 H new ATOM 0 HA SER A 54 -8.664 -0.488 1.322 1.00 0.00 H new ATOM 0 HB2 SER A 54 -8.149 -2.938 3.010 1.00 0.00 H new ATOM 0 HB3 SER A 54 -8.329 -1.388 3.806 1.00 0.00 H new ATOM 0 HG SER A 54 -10.353 -2.494 3.570 1.00 0.00 H new ATOM 794 N PRO A 55 -6.782 0.634 2.674 1.00 0.00 N ATOM 795 CA PRO A 55 -5.623 1.417 3.111 1.00 0.00 C ATOM 796 C PRO A 55 -4.908 0.782 4.299 1.00 0.00 C ATOM 797 O PRO A 55 -3.703 0.957 4.475 1.00 0.00 O ATOM 798 CB PRO A 55 -6.234 2.762 3.511 1.00 0.00 C ATOM 799 CG PRO A 55 -7.645 2.445 3.870 1.00 0.00 C ATOM 800 CD PRO A 55 -8.055 1.311 2.972 1.00 0.00 C ATOM 0 HA PRO A 55 -4.865 1.493 2.331 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -5.701 3.204 4.353 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -6.185 3.478 2.691 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -7.727 2.161 4.919 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -8.289 3.312 3.723 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -8.760 0.642 3.466 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -8.540 1.672 2.065 1.00 0.00 H new ATOM 808 N GLU A 56 -5.659 0.044 5.110 1.00 0.00 N ATOM 809 CA GLU A 56 -5.095 -0.616 6.282 1.00 0.00 C ATOM 810 C GLU A 56 -4.152 -1.743 5.870 1.00 0.00 C ATOM 811 O GLU A 56 -3.080 -1.915 6.452 1.00 0.00 O ATOM 812 CB GLU A 56 -6.212 -1.169 7.170 1.00 0.00 C ATOM 813 CG GLU A 56 -5.833 -1.260 8.638 1.00 0.00 C ATOM 814 CD GLU A 56 -6.909 -1.920 9.478 1.00 0.00 C ATOM 815 OE1 GLU A 56 -7.326 -3.045 9.133 1.00 0.00 O ATOM 816 OE2 GLU A 56 -7.334 -1.310 10.482 1.00 0.00 O ATOM 0 H GLU A 56 -6.658 -0.112 4.977 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.525 0.123 6.845 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -7.093 -0.534 7.069 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -6.491 -2.160 6.813 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.905 -1.823 8.736 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.640 -0.258 9.022 1.00 0.00 H new ATOM 823 N LEU A 57 -4.559 -2.508 4.863 1.00 0.00 N ATOM 824 CA LEU A 57 -3.752 -3.620 4.372 1.00 0.00 C ATOM 825 C LEU A 57 -2.354 -3.148 3.985 1.00 0.00 C ATOM 826 O LEU A 57 -1.352 -3.720 4.416 1.00 0.00 O ATOM 827 CB LEU A 57 -4.432 -4.278 3.170 1.00 0.00 C ATOM 828 CG LEU A 57 -5.408 -5.411 3.489 1.00 0.00 C ATOM 829 CD1 LEU A 57 -6.256 -5.742 2.271 1.00 0.00 C ATOM 830 CD2 LEU A 57 -4.656 -6.644 3.969 1.00 0.00 C ATOM 0 H LEU A 57 -5.443 -2.379 4.371 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.659 -4.352 5.174 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -4.969 -3.508 2.615 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -3.658 -4.667 2.508 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.070 -5.080 4.289 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.945 -6.550 2.516 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -6.823 -4.860 1.972 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -5.609 -6.053 1.451 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -5.367 -7.440 4.191 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.969 -6.977 3.191 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -4.092 -6.399 4.869 1.00 0.00 H new ATOM 842 N LYS A 58 -2.293 -2.100 3.172 1.00 0.00 N ATOM 843 CA LYS A 58 -1.018 -1.547 2.728 1.00 0.00 C ATOM 844 C LYS A 58 -0.126 -1.215 3.920 1.00 0.00 C ATOM 845 O LYS A 58 1.033 -1.627 3.972 1.00 0.00 O ATOM 846 CB LYS A 58 -1.249 -0.292 1.884 1.00 0.00 C ATOM 847 CG LYS A 58 0.034 0.350 1.385 1.00 0.00 C ATOM 848 CD LYS A 58 0.615 1.308 2.411 1.00 0.00 C ATOM 849 CE LYS A 58 0.157 2.737 2.161 1.00 0.00 C ATOM 850 NZ LYS A 58 0.010 3.503 3.429 1.00 0.00 N ATOM 0 H LYS A 58 -3.112 -1.615 2.806 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.516 -2.299 2.119 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -1.873 -0.550 1.028 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.804 0.436 2.475 1.00 0.00 H new ATOM 0 HG2 LYS A 58 0.765 -0.426 1.156 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -0.164 0.886 0.457 1.00 0.00 H new ATOM 0 HD2 LYS A 58 0.314 0.998 3.412 1.00 0.00 H new ATOM 0 HD3 LYS A 58 1.704 1.262 2.378 1.00 0.00 H new ATOM 0 HE2 LYS A 58 0.875 3.240 1.514 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -0.796 2.725 1.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 0.084 4.521 3.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.918 3.299 3.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 0.761 3.224 4.092 1.00 0.00 H new ATOM 864 N GLN A 59 -0.673 -0.469 4.874 1.00 0.00 N ATOM 865 CA GLN A 59 0.075 -0.083 6.064 1.00 0.00 C ATOM 866 C GLN A 59 0.985 -1.216 6.527 1.00 0.00 C ATOM 867 O GLN A 59 2.188 -1.025 6.704 1.00 0.00 O ATOM 868 CB GLN A 59 -0.884 0.308 7.190 1.00 0.00 C ATOM 869 CG GLN A 59 -1.632 1.605 6.929 1.00 0.00 C ATOM 870 CD GLN A 59 -2.320 2.142 8.169 1.00 0.00 C ATOM 871 OE1 GLN A 59 -2.552 1.409 9.131 1.00 0.00 O ATOM 872 NE2 GLN A 59 -2.651 3.428 8.152 1.00 0.00 N ATOM 0 H GLN A 59 -1.631 -0.120 4.846 1.00 0.00 H new ATOM 0 HA GLN A 59 0.696 0.776 5.809 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -1.606 -0.495 7.336 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -0.321 0.403 8.119 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -0.934 2.353 6.553 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -2.375 1.441 6.148 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -2.439 3.998 7.333 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -3.117 3.845 8.958 1.00 0.00 H new ATOM 881 N GLU A 60 0.402 -2.395 6.721 1.00 0.00 N ATOM 882 CA GLU A 60 1.162 -3.558 7.164 1.00 0.00 C ATOM 883 C GLU A 60 2.356 -3.810 6.247 1.00 0.00 C ATOM 884 O GLU A 60 3.472 -4.042 6.712 1.00 0.00 O ATOM 885 CB GLU A 60 0.265 -4.797 7.202 1.00 0.00 C ATOM 886 CG GLU A 60 -0.970 -4.627 8.070 1.00 0.00 C ATOM 887 CD GLU A 60 -0.639 -4.138 9.467 1.00 0.00 C ATOM 888 OE1 GLU A 60 0.284 -4.702 10.090 1.00 0.00 O ATOM 889 OE2 GLU A 60 -1.304 -3.190 9.936 1.00 0.00 O ATOM 0 H GLU A 60 -0.593 -2.570 6.579 1.00 0.00 H new ATOM 0 HA GLU A 60 1.533 -3.356 8.169 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.046 -5.042 6.186 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.844 -5.644 7.571 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -1.650 -3.921 7.594 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -1.496 -5.579 8.138 1.00 0.00 H new ATOM 896 N HIS A 61 2.112 -3.762 4.941 1.00 0.00 N ATOM 897 CA HIS A 61 3.167 -3.984 3.958 1.00 0.00 C ATOM 898 C HIS A 61 4.311 -2.994 4.155 1.00 0.00 C ATOM 899 O HIS A 61 5.453 -3.390 4.386 1.00 0.00 O ATOM 900 CB HIS A 61 2.606 -3.859 2.541 1.00 0.00 C ATOM 901 CG HIS A 61 3.657 -3.618 1.501 1.00 0.00 C ATOM 902 ND1 HIS A 61 4.494 -4.609 1.034 1.00 0.00 N ATOM 903 CD2 HIS A 61 4.002 -2.491 0.835 1.00 0.00 C ATOM 904 CE1 HIS A 61 5.310 -4.101 0.127 1.00 0.00 C ATOM 905 NE2 HIS A 61 5.032 -2.818 -0.012 1.00 0.00 N ATOM 0 H HIS A 61 1.194 -3.572 4.539 1.00 0.00 H new ATOM 0 HA HIS A 61 3.556 -4.993 4.099 1.00 0.00 H new ATOM 0 HB2 HIS A 61 2.062 -4.770 2.292 1.00 0.00 H new ATOM 0 HB3 HIS A 61 1.886 -3.041 2.515 1.00 0.00 H new ATOM 0 HD1 HIS A 61 4.485 -5.582 1.340 1.00 0.00 H new ATOM 0 HD2 HIS A 61 3.551 -1.516 0.949 1.00 0.00 H new ATOM 0 HE1 HIS A 61 6.074 -4.643 -0.409 1.00 0.00 H new ATOM 913 N GLU A 62 3.995 -1.706 4.060 1.00 0.00 N ATOM 914 CA GLU A 62 4.998 -0.660 4.227 1.00 0.00 C ATOM 915 C GLU A 62 5.983 -1.022 5.335 1.00 0.00 C ATOM 916 O GLU A 62 7.197 -0.971 5.141 1.00 0.00 O ATOM 917 CB GLU A 62 4.325 0.677 4.544 1.00 0.00 C ATOM 918 CG GLU A 62 4.061 1.532 3.316 1.00 0.00 C ATOM 919 CD GLU A 62 3.099 2.671 3.594 1.00 0.00 C ATOM 920 OE1 GLU A 62 2.354 2.587 4.592 1.00 0.00 O ATOM 921 OE2 GLU A 62 3.092 3.646 2.813 1.00 0.00 O ATOM 0 H GLU A 62 3.054 -1.362 3.869 1.00 0.00 H new ATOM 0 HA GLU A 62 5.549 -0.568 3.291 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.380 0.487 5.054 1.00 0.00 H new ATOM 0 HB3 GLU A 62 4.954 1.236 5.237 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.004 1.939 2.952 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.656 0.905 2.522 1.00 0.00 H new ATOM 928 N SER A 63 5.449 -1.387 6.496 1.00 0.00 N ATOM 929 CA SER A 63 6.280 -1.753 7.637 1.00 0.00 C ATOM 930 C SER A 63 7.313 -2.804 7.242 1.00 0.00 C ATOM 931 O SER A 63 8.456 -2.771 7.699 1.00 0.00 O ATOM 932 CB SER A 63 5.410 -2.281 8.780 1.00 0.00 C ATOM 933 OG SER A 63 6.091 -2.197 10.020 1.00 0.00 O ATOM 0 H SER A 63 4.445 -1.437 6.671 1.00 0.00 H new ATOM 0 HA SER A 63 6.806 -0.860 7.973 1.00 0.00 H new ATOM 0 HB2 SER A 63 4.484 -1.708 8.831 1.00 0.00 H new ATOM 0 HB3 SER A 63 5.134 -3.317 8.583 1.00 0.00 H new ATOM 0 HG SER A 63 5.514 -2.539 10.734 1.00 0.00 H new ATOM 939 N LYS A 64 6.902 -3.738 6.390 1.00 0.00 N ATOM 940 CA LYS A 64 7.790 -4.799 5.931 1.00 0.00 C ATOM 941 C LYS A 64 8.014 -4.707 4.425 1.00 0.00 C ATOM 942 O LYS A 64 8.252 -5.716 3.759 1.00 0.00 O ATOM 943 CB LYS A 64 7.208 -6.169 6.288 1.00 0.00 C ATOM 944 CG LYS A 64 5.734 -6.310 5.950 1.00 0.00 C ATOM 945 CD LYS A 64 5.533 -6.848 4.543 1.00 0.00 C ATOM 946 CE LYS A 64 5.901 -8.321 4.452 1.00 0.00 C ATOM 947 NZ LYS A 64 6.255 -8.720 3.062 1.00 0.00 N ATOM 0 H LYS A 64 5.959 -3.781 6.004 1.00 0.00 H new ATOM 0 HA LYS A 64 8.750 -4.677 6.432 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.769 -6.941 5.761 1.00 0.00 H new ATOM 0 HB3 LYS A 64 7.346 -6.347 7.355 1.00 0.00 H new ATOM 0 HG2 LYS A 64 5.258 -6.978 6.667 1.00 0.00 H new ATOM 0 HG3 LYS A 64 5.244 -5.341 6.043 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.493 -6.713 4.246 1.00 0.00 H new ATOM 0 HD3 LYS A 64 6.142 -6.276 3.843 1.00 0.00 H new ATOM 0 HE2 LYS A 64 6.742 -8.527 5.114 1.00 0.00 H new ATOM 0 HE3 LYS A 64 5.065 -8.926 4.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 6.499 -9.731 3.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 5.444 -8.548 2.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 7.069 -8.161 2.737 1.00 0.00 H new ATOM 961 N CYS A 65 7.939 -3.491 3.893 1.00 0.00 N ATOM 962 CA CYS A 65 8.135 -3.267 2.466 1.00 0.00 C ATOM 963 C CYS A 65 9.616 -3.335 2.103 1.00 0.00 C ATOM 964 O CYS A 65 10.435 -2.601 2.655 1.00 0.00 O ATOM 965 CB CYS A 65 7.561 -1.908 2.059 1.00 0.00 C ATOM 966 SG CYS A 65 7.897 -1.448 0.329 1.00 0.00 S ATOM 0 H CYS A 65 7.744 -2.646 4.429 1.00 0.00 H new ATOM 0 HA CYS A 65 7.610 -4.054 1.924 1.00 0.00 H new ATOM 0 HB2 CYS A 65 6.483 -1.918 2.218 1.00 0.00 H new ATOM 0 HB3 CYS A 65 7.973 -1.141 2.714 1.00 0.00 H new ATOM 971 N GLU A 66 9.951 -4.222 1.171 1.00 0.00 N ATOM 972 CA GLU A 66 11.332 -4.387 0.735 1.00 0.00 C ATOM 973 C GLU A 66 11.825 -3.140 0.006 1.00 0.00 C ATOM 974 O GLU A 66 13.020 -2.844 -0.002 1.00 0.00 O ATOM 975 CB GLU A 66 11.460 -5.608 -0.178 1.00 0.00 C ATOM 976 CG GLU A 66 10.662 -5.492 -1.466 1.00 0.00 C ATOM 977 CD GLU A 66 10.445 -6.832 -2.140 1.00 0.00 C ATOM 978 OE1 GLU A 66 9.493 -7.543 -1.756 1.00 0.00 O ATOM 979 OE2 GLU A 66 11.227 -7.170 -3.054 1.00 0.00 O ATOM 0 H GLU A 66 9.285 -4.837 0.704 1.00 0.00 H new ATOM 0 HA GLU A 66 11.950 -4.538 1.620 1.00 0.00 H new ATOM 0 HB2 GLU A 66 12.511 -5.758 -0.424 1.00 0.00 H new ATOM 0 HB3 GLU A 66 11.130 -6.493 0.365 1.00 0.00 H new ATOM 0 HG2 GLU A 66 9.695 -5.037 -1.250 1.00 0.00 H new ATOM 0 HG3 GLU A 66 11.182 -4.824 -2.153 1.00 0.00 H new ATOM 986 N TYR A 67 10.896 -2.413 -0.604 1.00 0.00 N ATOM 987 CA TYR A 67 11.235 -1.199 -1.338 1.00 0.00 C ATOM 988 C TYR A 67 11.469 -0.033 -0.383 1.00 0.00 C ATOM 989 O TYR A 67 12.222 0.893 -0.687 1.00 0.00 O ATOM 990 CB TYR A 67 10.121 -0.848 -2.326 1.00 0.00 C ATOM 991 CG TYR A 67 10.259 -1.539 -3.664 1.00 0.00 C ATOM 992 CD1 TYR A 67 9.810 -2.842 -3.845 1.00 0.00 C ATOM 993 CD2 TYR A 67 10.838 -0.890 -4.748 1.00 0.00 C ATOM 994 CE1 TYR A 67 9.934 -3.477 -5.065 1.00 0.00 C ATOM 995 CE2 TYR A 67 10.965 -1.517 -5.972 1.00 0.00 C ATOM 996 CZ TYR A 67 10.512 -2.811 -6.125 1.00 0.00 C ATOM 997 OH TYR A 67 10.637 -3.440 -7.343 1.00 0.00 O ATOM 0 H TYR A 67 9.902 -2.643 -0.605 1.00 0.00 H new ATOM 0 HA TYR A 67 12.157 -1.383 -1.890 1.00 0.00 H new ATOM 0 HB2 TYR A 67 9.160 -1.114 -1.886 1.00 0.00 H new ATOM 0 HB3 TYR A 67 10.112 0.231 -2.483 1.00 0.00 H new ATOM 0 HD1 TYR A 67 9.356 -3.367 -3.017 1.00 0.00 H new ATOM 0 HD2 TYR A 67 11.195 0.123 -4.631 1.00 0.00 H new ATOM 0 HE1 TYR A 67 9.580 -4.490 -5.188 1.00 0.00 H new ATOM 0 HE2 TYR A 67 11.416 -0.997 -6.804 1.00 0.00 H new ATOM 0 HH TYR A 67 11.064 -2.833 -7.983 1.00 0.00 H new ATOM 1007 N LYS A 68 10.818 -0.084 0.774 1.00 0.00 N ATOM 1008 CA LYS A 68 10.955 0.966 1.777 1.00 0.00 C ATOM 1009 C LYS A 68 12.422 1.325 1.992 1.00 0.00 C ATOM 1010 O LYS A 68 12.835 2.461 1.758 1.00 0.00 O ATOM 1011 CB LYS A 68 10.329 0.520 3.100 1.00 0.00 C ATOM 1012 CG LYS A 68 10.505 1.525 4.225 1.00 0.00 C ATOM 1013 CD LYS A 68 9.494 1.300 5.337 1.00 0.00 C ATOM 1014 CE LYS A 68 9.766 2.205 6.529 1.00 0.00 C ATOM 1015 NZ LYS A 68 8.650 2.175 7.515 1.00 0.00 N ATOM 0 H LYS A 68 10.190 -0.842 1.041 1.00 0.00 H new ATOM 0 HA LYS A 68 10.432 1.851 1.414 1.00 0.00 H new ATOM 0 HB2 LYS A 68 9.265 0.341 2.947 1.00 0.00 H new ATOM 0 HB3 LYS A 68 10.772 -0.430 3.400 1.00 0.00 H new ATOM 0 HG2 LYS A 68 11.515 1.447 4.629 1.00 0.00 H new ATOM 0 HG3 LYS A 68 10.396 2.536 3.832 1.00 0.00 H new ATOM 0 HD2 LYS A 68 8.489 1.486 4.959 1.00 0.00 H new ATOM 0 HD3 LYS A 68 9.527 0.258 5.655 1.00 0.00 H new ATOM 0 HE2 LYS A 68 10.690 1.895 7.017 1.00 0.00 H new ATOM 0 HE3 LYS A 68 9.916 3.227 6.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 8.874 2.805 8.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 7.773 2.495 7.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 8.523 1.204 7.866 1.00 0.00 H new ATOM 1029 N LYS A 69 13.206 0.349 2.438 1.00 0.00 N ATOM 1030 CA LYS A 69 14.628 0.560 2.682 1.00 0.00 C ATOM 1031 C LYS A 69 15.317 1.115 1.440 1.00 0.00 C ATOM 1032 O LYS A 69 16.042 2.108 1.511 1.00 0.00 O ATOM 1033 CB LYS A 69 15.294 -0.751 3.105 1.00 0.00 C ATOM 1034 CG LYS A 69 15.163 -1.860 2.075 1.00 0.00 C ATOM 1035 CD LYS A 69 15.573 -3.206 2.649 1.00 0.00 C ATOM 1036 CE LYS A 69 15.885 -4.209 1.549 1.00 0.00 C ATOM 1037 NZ LYS A 69 14.682 -4.996 1.159 1.00 0.00 N ATOM 0 H LYS A 69 12.880 -0.597 2.638 1.00 0.00 H new ATOM 0 HA LYS A 69 14.729 1.288 3.487 1.00 0.00 H new ATOM 0 HB2 LYS A 69 16.351 -0.567 3.296 1.00 0.00 H new ATOM 0 HB3 LYS A 69 14.854 -1.085 4.045 1.00 0.00 H new ATOM 0 HG2 LYS A 69 14.132 -1.912 1.724 1.00 0.00 H new ATOM 0 HG3 LYS A 69 15.783 -1.629 1.209 1.00 0.00 H new ATOM 0 HD2 LYS A 69 16.448 -3.080 3.287 1.00 0.00 H new ATOM 0 HD3 LYS A 69 14.772 -3.593 3.279 1.00 0.00 H new ATOM 0 HE2 LYS A 69 16.273 -3.683 0.677 1.00 0.00 H new ATOM 0 HE3 LYS A 69 16.669 -4.887 1.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 14.968 -5.788 0.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 14.218 -5.367 2.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 14.019 -4.383 0.643 1.00 0.00 H new ATOM 1051 N LEU A 70 15.085 0.470 0.302 1.00 0.00 N ATOM 1052 CA LEU A 70 15.682 0.900 -0.957 1.00 0.00 C ATOM 1053 C LEU A 70 15.268 2.328 -1.297 1.00 0.00 C ATOM 1054 O LEU A 70 15.917 3.001 -2.098 1.00 0.00 O ATOM 1055 CB LEU A 70 15.271 -0.045 -2.088 1.00 0.00 C ATOM 1056 CG LEU A 70 15.898 -1.439 -2.059 1.00 0.00 C ATOM 1057 CD1 LEU A 70 15.345 -2.297 -3.187 1.00 0.00 C ATOM 1058 CD2 LEU A 70 17.414 -1.345 -2.152 1.00 0.00 C ATOM 0 H LEU A 70 14.487 -0.353 0.226 1.00 0.00 H new ATOM 0 HA LEU A 70 16.766 0.873 -0.844 1.00 0.00 H new ATOM 0 HB2 LEU A 70 14.187 -0.156 -2.066 1.00 0.00 H new ATOM 0 HB3 LEU A 70 15.524 0.426 -3.038 1.00 0.00 H new ATOM 0 HG LEU A 70 15.641 -1.912 -1.111 1.00 0.00 H new ATOM 0 HD11 LEU A 70 15.803 -3.285 -3.150 1.00 0.00 H new ATOM 0 HD12 LEU A 70 14.265 -2.393 -3.075 1.00 0.00 H new ATOM 0 HD13 LEU A 70 15.570 -1.828 -4.145 1.00 0.00 H new ATOM 0 HD21 LEU A 70 17.843 -2.347 -2.130 1.00 0.00 H new ATOM 0 HD22 LEU A 70 17.692 -0.852 -3.084 1.00 0.00 H new ATOM 0 HD23 LEU A 70 17.795 -0.769 -1.309 1.00 0.00 H new ATOM 1070 N THR A 71 14.183 2.787 -0.680 1.00 0.00 N ATOM 1071 CA THR A 71 13.682 4.135 -0.915 1.00 0.00 C ATOM 1072 C THR A 71 14.459 5.161 -0.098 1.00 0.00 C ATOM 1073 O THR A 71 14.551 5.054 1.126 1.00 0.00 O ATOM 1074 CB THR A 71 12.185 4.247 -0.569 1.00 0.00 C ATOM 1075 OG1 THR A 71 11.442 3.254 -1.284 1.00 0.00 O ATOM 1076 CG2 THR A 71 11.653 5.631 -0.910 1.00 0.00 C ATOM 0 H THR A 71 13.634 2.244 -0.013 1.00 0.00 H new ATOM 0 HA THR A 71 13.818 4.342 -1.977 1.00 0.00 H new ATOM 0 HB THR A 71 12.069 4.085 0.503 1.00 0.00 H new ATOM 0 HG1 THR A 71 11.550 2.385 -0.844 1.00 0.00 H new ATOM 0 HG21 THR A 71 10.594 5.686 -0.657 1.00 0.00 H new ATOM 0 HG22 THR A 71 12.202 6.382 -0.341 1.00 0.00 H new ATOM 0 HG23 THR A 71 11.782 5.818 -1.976 1.00 0.00 H new ATOM 1084 N CYS A 72 15.017 6.155 -0.780 1.00 0.00 N ATOM 1085 CA CYS A 72 15.786 7.201 -0.118 1.00 0.00 C ATOM 1086 C CYS A 72 14.863 8.228 0.530 1.00 0.00 C ATOM 1087 O CYS A 72 14.657 9.319 -0.004 1.00 0.00 O ATOM 1088 CB CYS A 72 16.714 7.893 -1.119 1.00 0.00 C ATOM 1089 SG CYS A 72 17.872 9.079 -0.363 1.00 0.00 S ATOM 0 H CYS A 72 14.951 6.258 -1.793 1.00 0.00 H new ATOM 0 HA CYS A 72 16.387 6.735 0.663 1.00 0.00 H new ATOM 0 HB2 CYS A 72 17.285 7.134 -1.653 1.00 0.00 H new ATOM 0 HB3 CYS A 72 16.108 8.415 -1.859 1.00 0.00 H new ATOM 1094 N LEU A 73 14.309 7.873 1.684 1.00 0.00 N ATOM 1095 CA LEU A 73 13.407 8.763 2.406 1.00 0.00 C ATOM 1096 C LEU A 73 13.829 10.219 2.238 1.00 0.00 C ATOM 1097 O LEU A 73 12.997 11.091 1.989 1.00 0.00 O ATOM 1098 CB LEU A 73 13.378 8.397 3.892 1.00 0.00 C ATOM 1099 CG LEU A 73 13.110 6.927 4.216 1.00 0.00 C ATOM 1100 CD1 LEU A 73 13.207 6.685 5.714 1.00 0.00 C ATOM 1101 CD2 LEU A 73 11.744 6.507 3.692 1.00 0.00 C ATOM 0 H LEU A 73 14.469 6.975 2.140 1.00 0.00 H new ATOM 0 HA LEU A 73 12.407 8.643 1.989 1.00 0.00 H new ATOM 0 HB2 LEU A 73 14.335 8.677 4.333 1.00 0.00 H new ATOM 0 HB3 LEU A 73 12.613 9.001 4.380 1.00 0.00 H new ATOM 0 HG LEU A 73 13.869 6.320 3.722 1.00 0.00 H new ATOM 0 HD11 LEU A 73 13.013 5.633 5.926 1.00 0.00 H new ATOM 0 HD12 LEU A 73 14.207 6.947 6.061 1.00 0.00 H new ATOM 0 HD13 LEU A 73 12.471 7.301 6.230 1.00 0.00 H new ATOM 0 HD21 LEU A 73 11.569 5.458 3.931 1.00 0.00 H new ATOM 0 HD22 LEU A 73 10.972 7.119 4.158 1.00 0.00 H new ATOM 0 HD23 LEU A 73 11.711 6.643 2.611 1.00 0.00 H new ATOM 1113 N GLU A 74 15.127 10.474 2.374 1.00 0.00 N ATOM 1114 CA GLU A 74 15.658 11.825 2.235 1.00 0.00 C ATOM 1115 C GLU A 74 15.008 12.547 1.058 1.00 0.00 C ATOM 1116 O GLU A 74 14.462 13.640 1.211 1.00 0.00 O ATOM 1117 CB GLU A 74 17.176 11.782 2.045 1.00 0.00 C ATOM 1118 CG GLU A 74 17.944 11.551 3.336 1.00 0.00 C ATOM 1119 CD GLU A 74 17.936 12.764 4.245 1.00 0.00 C ATOM 1120 OE1 GLU A 74 17.774 13.890 3.731 1.00 0.00 O ATOM 1121 OE2 GLU A 74 18.091 12.586 5.472 1.00 0.00 O ATOM 0 H GLU A 74 15.829 9.763 2.580 1.00 0.00 H new ATOM 0 HA GLU A 74 15.428 12.374 3.148 1.00 0.00 H new ATOM 0 HB2 GLU A 74 17.423 10.990 1.338 1.00 0.00 H new ATOM 0 HB3 GLU A 74 17.505 12.721 1.599 1.00 0.00 H new ATOM 0 HG2 GLU A 74 17.511 10.702 3.865 1.00 0.00 H new ATOM 0 HG3 GLU A 74 18.974 11.286 3.099 1.00 0.00 H new ATOM 1128 N CYS A 75 15.070 11.928 -0.116 1.00 0.00 N ATOM 1129 CA CYS A 75 14.490 12.510 -1.320 1.00 0.00 C ATOM 1130 C CYS A 75 13.637 11.486 -2.063 1.00 0.00 C ATOM 1131 O CYS A 75 13.687 11.394 -3.289 1.00 0.00 O ATOM 1132 CB CYS A 75 15.592 13.037 -2.240 1.00 0.00 C ATOM 1133 SG CYS A 75 16.600 11.731 -3.015 1.00 0.00 S ATOM 0 H CYS A 75 15.517 11.022 -0.259 1.00 0.00 H new ATOM 0 HA CYS A 75 13.850 13.340 -1.020 1.00 0.00 H new ATOM 0 HB2 CYS A 75 15.138 13.644 -3.023 1.00 0.00 H new ATOM 0 HB3 CYS A 75 16.246 13.694 -1.667 1.00 0.00 H new ATOM 1138 N MET A 76 12.855 10.718 -1.311 1.00 0.00 N ATOM 1139 CA MET A 76 11.991 9.701 -1.898 1.00 0.00 C ATOM 1140 C MET A 76 12.574 9.183 -3.209 1.00 0.00 C ATOM 1141 O MET A 76 11.908 9.199 -4.244 1.00 0.00 O ATOM 1142 CB MET A 76 10.591 10.268 -2.138 1.00 0.00 C ATOM 1143 CG MET A 76 9.912 10.767 -0.873 1.00 0.00 C ATOM 1144 SD MET A 76 8.836 9.528 -0.126 1.00 0.00 S ATOM 1145 CE MET A 76 10.039 8.490 0.702 1.00 0.00 C ATOM 0 H MET A 76 12.802 10.781 -0.294 1.00 0.00 H new ATOM 0 HA MET A 76 11.923 8.869 -1.197 1.00 0.00 H new ATOM 0 HB2 MET A 76 10.658 11.089 -2.852 1.00 0.00 H new ATOM 0 HB3 MET A 76 9.969 9.498 -2.594 1.00 0.00 H new ATOM 0 HG2 MET A 76 10.672 11.065 -0.151 1.00 0.00 H new ATOM 0 HG3 MET A 76 9.327 11.657 -1.106 1.00 0.00 H new ATOM 0 HE1 MET A 76 10.050 7.504 0.238 1.00 0.00 H new ATOM 0 HE2 MET A 76 11.028 8.941 0.618 1.00 0.00 H new ATOM 0 HE3 MET A 76 9.773 8.393 1.754 1.00 0.00 H new ATOM 1155 N ARG A 77 13.820 8.724 -3.157 1.00 0.00 N ATOM 1156 CA ARG A 77 14.493 8.203 -4.341 1.00 0.00 C ATOM 1157 C ARG A 77 14.793 6.715 -4.185 1.00 0.00 C ATOM 1158 O ARG A 77 15.683 6.326 -3.429 1.00 0.00 O ATOM 1159 CB ARG A 77 15.790 8.972 -4.597 1.00 0.00 C ATOM 1160 CG ARG A 77 16.508 8.550 -5.869 1.00 0.00 C ATOM 1161 CD ARG A 77 17.623 9.520 -6.227 1.00 0.00 C ATOM 1162 NE ARG A 77 17.139 10.637 -7.034 1.00 0.00 N ATOM 1163 CZ ARG A 77 17.904 11.319 -7.879 1.00 0.00 C ATOM 1164 NH1 ARG A 77 19.182 11.000 -8.027 1.00 0.00 N ATOM 1165 NH2 ARG A 77 17.390 12.323 -8.578 1.00 0.00 N ATOM 0 H ARG A 77 14.384 8.702 -2.307 1.00 0.00 H new ATOM 0 HA ARG A 77 13.827 8.334 -5.194 1.00 0.00 H new ATOM 0 HB2 ARG A 77 15.566 10.037 -4.653 1.00 0.00 H new ATOM 0 HB3 ARG A 77 16.459 8.831 -3.748 1.00 0.00 H new ATOM 0 HG2 ARG A 77 16.922 7.550 -5.740 1.00 0.00 H new ATOM 0 HG3 ARG A 77 15.794 8.496 -6.690 1.00 0.00 H new ATOM 0 HD2 ARG A 77 18.077 9.903 -5.313 1.00 0.00 H new ATOM 0 HD3 ARG A 77 18.403 8.990 -6.773 1.00 0.00 H new ATOM 0 HE ARG A 77 16.160 10.908 -6.944 1.00 0.00 H new ATOM 0 HH11 ARG A 77 19.581 10.229 -7.491 1.00 0.00 H new ATOM 0 HH12 ARG A 77 19.767 11.526 -8.677 1.00 0.00 H new ATOM 0 HH21 ARG A 77 16.407 12.571 -8.467 1.00 0.00 H new ATOM 0 HH22 ARG A 77 17.978 12.846 -9.227 1.00 0.00 H new ATOM 1179 N THR A 78 14.043 5.887 -4.906 1.00 0.00 N ATOM 1180 CA THR A 78 14.227 4.443 -4.847 1.00 0.00 C ATOM 1181 C THR A 78 15.347 3.992 -5.777 1.00 0.00 C ATOM 1182 O THR A 78 15.526 4.545 -6.863 1.00 0.00 O ATOM 1183 CB THR A 78 12.933 3.696 -5.221 1.00 0.00 C ATOM 1184 OG1 THR A 78 11.802 4.349 -4.632 1.00 0.00 O ATOM 1185 CG2 THR A 78 12.989 2.249 -4.755 1.00 0.00 C ATOM 0 H THR A 78 13.303 6.192 -5.537 1.00 0.00 H new ATOM 0 HA THR A 78 14.494 4.201 -3.818 1.00 0.00 H new ATOM 0 HB THR A 78 12.834 3.708 -6.306 1.00 0.00 H new ATOM 0 HG1 THR A 78 10.983 3.869 -4.876 1.00 0.00 H new ATOM 0 HG21 THR A 78 12.064 1.742 -5.030 1.00 0.00 H new ATOM 0 HG22 THR A 78 13.833 1.747 -5.228 1.00 0.00 H new ATOM 0 HG23 THR A 78 13.110 2.220 -3.672 1.00 0.00 H new ATOM 1193 N PHE A 79 16.100 2.986 -5.346 1.00 0.00 N ATOM 1194 CA PHE A 79 17.204 2.461 -6.141 1.00 0.00 C ATOM 1195 C PHE A 79 17.008 0.976 -6.430 1.00 0.00 C ATOM 1196 O PHE A 79 15.980 0.394 -6.083 1.00 0.00 O ATOM 1197 CB PHE A 79 18.533 2.680 -5.414 1.00 0.00 C ATOM 1198 CG PHE A 79 19.007 4.105 -5.448 1.00 0.00 C ATOM 1199 CD1 PHE A 79 18.340 5.088 -4.736 1.00 0.00 C ATOM 1200 CD2 PHE A 79 20.120 4.461 -6.192 1.00 0.00 C ATOM 1201 CE1 PHE A 79 18.774 6.400 -4.767 1.00 0.00 C ATOM 1202 CE2 PHE A 79 20.559 5.771 -6.226 1.00 0.00 C ATOM 1203 CZ PHE A 79 19.886 6.742 -5.512 1.00 0.00 C ATOM 0 H PHE A 79 15.966 2.518 -4.450 1.00 0.00 H new ATOM 0 HA PHE A 79 17.224 2.998 -7.089 1.00 0.00 H new ATOM 0 HB2 PHE A 79 18.426 2.366 -4.376 1.00 0.00 H new ATOM 0 HB3 PHE A 79 19.294 2.042 -5.864 1.00 0.00 H new ATOM 0 HD1 PHE A 79 17.471 4.827 -4.150 1.00 0.00 H new ATOM 0 HD2 PHE A 79 20.651 3.706 -6.752 1.00 0.00 H new ATOM 0 HE1 PHE A 79 18.244 7.158 -4.209 1.00 0.00 H new ATOM 0 HE2 PHE A 79 21.428 6.035 -6.811 1.00 0.00 H new ATOM 0 HZ PHE A 79 20.228 7.766 -5.536 1.00 0.00 H new ATOM 1213 N LYS A 80 18.002 0.368 -7.069 1.00 0.00 N ATOM 1214 CA LYS A 80 17.942 -1.049 -7.406 1.00 0.00 C ATOM 1215 C LYS A 80 18.446 -1.905 -6.249 1.00 0.00 C ATOM 1216 O LYS A 80 17.842 -2.922 -5.907 1.00 0.00 O ATOM 1217 CB LYS A 80 18.770 -1.332 -8.662 1.00 0.00 C ATOM 1218 CG LYS A 80 18.290 -2.540 -9.448 1.00 0.00 C ATOM 1219 CD LYS A 80 18.961 -3.817 -8.972 1.00 0.00 C ATOM 1220 CE LYS A 80 18.391 -5.041 -9.673 1.00 0.00 C ATOM 1221 NZ LYS A 80 19.397 -6.133 -9.787 1.00 0.00 N ATOM 0 H LYS A 80 18.859 0.835 -7.364 1.00 0.00 H new ATOM 0 HA LYS A 80 16.901 -1.307 -7.599 1.00 0.00 H new ATOM 0 HB2 LYS A 80 18.745 -0.455 -9.309 1.00 0.00 H new ATOM 0 HB3 LYS A 80 19.810 -1.486 -8.374 1.00 0.00 H new ATOM 0 HG2 LYS A 80 17.209 -2.636 -9.346 1.00 0.00 H new ATOM 0 HG3 LYS A 80 18.498 -2.392 -10.508 1.00 0.00 H new ATOM 0 HD2 LYS A 80 20.033 -3.757 -9.157 1.00 0.00 H new ATOM 0 HD3 LYS A 80 18.829 -3.919 -7.895 1.00 0.00 H new ATOM 0 HE2 LYS A 80 17.523 -5.403 -9.123 1.00 0.00 H new ATOM 0 HE3 LYS A 80 18.044 -4.761 -10.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 18.970 -6.949 -10.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 20.215 -5.796 -10.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 19.709 -6.418 -8.837 1.00 0.00 H new ATOM 1235 N SER A 81 19.556 -1.487 -5.648 1.00 0.00 N ATOM 1236 CA SER A 81 20.142 -2.217 -4.530 1.00 0.00 C ATOM 1237 C SER A 81 20.391 -1.288 -3.346 1.00 0.00 C ATOM 1238 O SER A 81 20.257 -0.069 -3.459 1.00 0.00 O ATOM 1239 CB SER A 81 21.453 -2.879 -4.958 1.00 0.00 C ATOM 1240 OG SER A 81 21.257 -3.722 -6.080 1.00 0.00 O ATOM 0 H SER A 81 20.067 -0.646 -5.917 1.00 0.00 H new ATOM 0 HA SER A 81 19.437 -2.989 -4.222 1.00 0.00 H new ATOM 0 HB2 SER A 81 22.189 -2.112 -5.200 1.00 0.00 H new ATOM 0 HB3 SER A 81 21.858 -3.460 -4.129 1.00 0.00 H new ATOM 0 HG SER A 81 22.110 -4.131 -6.335 1.00 0.00 H new ATOM 1246 N SER A 82 20.754 -1.873 -2.209 1.00 0.00 N ATOM 1247 CA SER A 82 21.019 -1.100 -1.001 1.00 0.00 C ATOM 1248 C SER A 82 22.396 -0.446 -1.065 1.00 0.00 C ATOM 1249 O SER A 82 22.576 0.692 -0.632 1.00 0.00 O ATOM 1250 CB SER A 82 20.924 -1.996 0.235 1.00 0.00 C ATOM 1251 OG SER A 82 22.027 -2.883 0.307 1.00 0.00 O ATOM 0 H SER A 82 20.871 -2.880 -2.099 1.00 0.00 H new ATOM 0 HA SER A 82 20.266 -0.315 -0.930 1.00 0.00 H new ATOM 0 HB2 SER A 82 20.890 -1.380 1.133 1.00 0.00 H new ATOM 0 HB3 SER A 82 19.996 -2.567 0.204 1.00 0.00 H new ATOM 0 HG SER A 82 21.944 -3.444 1.106 1.00 0.00 H new ATOM 1257 N PHE A 83 23.365 -1.175 -1.609 1.00 0.00 N ATOM 1258 CA PHE A 83 24.727 -0.668 -1.729 1.00 0.00 C ATOM 1259 C PHE A 83 24.778 0.537 -2.663 1.00 0.00 C ATOM 1260 O PHE A 83 25.459 1.524 -2.384 1.00 0.00 O ATOM 1261 CB PHE A 83 25.659 -1.767 -2.245 1.00 0.00 C ATOM 1262 CG PHE A 83 27.037 -1.275 -2.582 1.00 0.00 C ATOM 1263 CD1 PHE A 83 27.881 -0.803 -1.588 1.00 0.00 C ATOM 1264 CD2 PHE A 83 27.490 -1.283 -3.891 1.00 0.00 C ATOM 1265 CE1 PHE A 83 29.149 -0.349 -1.895 1.00 0.00 C ATOM 1266 CE2 PHE A 83 28.758 -0.831 -4.204 1.00 0.00 C ATOM 1267 CZ PHE A 83 29.589 -0.364 -3.205 1.00 0.00 C ATOM 0 H PHE A 83 23.232 -2.118 -1.974 1.00 0.00 H new ATOM 0 HA PHE A 83 25.060 -0.353 -0.740 1.00 0.00 H new ATOM 0 HB2 PHE A 83 25.736 -2.551 -1.491 1.00 0.00 H new ATOM 0 HB3 PHE A 83 25.217 -2.220 -3.132 1.00 0.00 H new ATOM 0 HD1 PHE A 83 27.543 -0.790 -0.562 1.00 0.00 H new ATOM 0 HD2 PHE A 83 26.844 -1.647 -4.677 1.00 0.00 H new ATOM 0 HE1 PHE A 83 29.796 0.017 -1.112 1.00 0.00 H new ATOM 0 HE2 PHE A 83 29.099 -0.843 -5.229 1.00 0.00 H new ATOM 0 HZ PHE A 83 30.581 -0.011 -3.447 1.00 0.00 H new ATOM 1277 N SER A 84 24.053 0.449 -3.773 1.00 0.00 N ATOM 1278 CA SER A 84 24.018 1.530 -4.751 1.00 0.00 C ATOM 1279 C SER A 84 23.523 2.825 -4.113 1.00 0.00 C ATOM 1280 O SER A 84 24.231 3.832 -4.097 1.00 0.00 O ATOM 1281 CB SER A 84 23.118 1.152 -5.929 1.00 0.00 C ATOM 1282 OG SER A 84 23.633 0.031 -6.626 1.00 0.00 O ATOM 0 H SER A 84 23.482 -0.360 -4.018 1.00 0.00 H new ATOM 0 HA SER A 84 25.033 1.690 -5.115 1.00 0.00 H new ATOM 0 HB2 SER A 84 22.114 0.929 -5.567 1.00 0.00 H new ATOM 0 HB3 SER A 84 23.030 1.999 -6.610 1.00 0.00 H new ATOM 0 HG SER A 84 23.039 -0.191 -7.373 1.00 0.00 H new ATOM 1288 N ILE A 85 22.302 2.789 -3.589 1.00 0.00 N ATOM 1289 CA ILE A 85 21.712 3.958 -2.949 1.00 0.00 C ATOM 1290 C ILE A 85 22.623 4.504 -1.854 1.00 0.00 C ATOM 1291 O ILE A 85 22.814 5.714 -1.738 1.00 0.00 O ATOM 1292 CB ILE A 85 20.336 3.632 -2.340 1.00 0.00 C ATOM 1293 CG1 ILE A 85 19.734 4.878 -1.688 1.00 0.00 C ATOM 1294 CG2 ILE A 85 20.458 2.503 -1.327 1.00 0.00 C ATOM 1295 CD1 ILE A 85 18.259 4.745 -1.377 1.00 0.00 C ATOM 0 H ILE A 85 21.703 1.964 -3.595 1.00 0.00 H new ATOM 0 HA ILE A 85 21.587 4.713 -3.725 1.00 0.00 H new ATOM 0 HB ILE A 85 19.670 3.306 -3.139 1.00 0.00 H new ATOM 0 HG12 ILE A 85 20.274 5.092 -0.765 1.00 0.00 H new ATOM 0 HG13 ILE A 85 19.882 5.732 -2.349 1.00 0.00 H new ATOM 0 HG21 ILE A 85 19.477 2.285 -0.906 1.00 0.00 H new ATOM 0 HG22 ILE A 85 20.848 1.612 -1.820 1.00 0.00 H new ATOM 0 HG23 ILE A 85 21.137 2.802 -0.529 1.00 0.00 H new ATOM 0 HD11 ILE A 85 17.900 5.665 -0.917 1.00 0.00 H new ATOM 0 HD12 ILE A 85 17.708 4.562 -2.299 1.00 0.00 H new ATOM 0 HD13 ILE A 85 18.105 3.912 -0.691 1.00 0.00 H new ATOM 1307 N TRP A 86 23.183 3.603 -1.055 1.00 0.00 N ATOM 1308 CA TRP A 86 24.076 3.994 0.030 1.00 0.00 C ATOM 1309 C TRP A 86 25.050 5.073 -0.429 1.00 0.00 C ATOM 1310 O TRP A 86 25.300 6.042 0.288 1.00 0.00 O ATOM 1311 CB TRP A 86 24.848 2.778 0.545 1.00 0.00 C ATOM 1312 CG TRP A 86 25.613 3.051 1.805 1.00 0.00 C ATOM 1313 CD1 TRP A 86 25.100 3.453 3.005 1.00 0.00 C ATOM 1314 CD2 TRP A 86 27.029 2.944 1.988 1.00 0.00 C ATOM 1315 NE1 TRP A 86 26.111 3.602 3.923 1.00 0.00 N ATOM 1316 CE2 TRP A 86 27.305 3.295 3.324 1.00 0.00 C ATOM 1317 CE3 TRP A 86 28.091 2.584 1.154 1.00 0.00 C ATOM 1318 CZ2 TRP A 86 28.597 3.297 3.842 1.00 0.00 C ATOM 1319 CZ3 TRP A 86 29.373 2.587 1.669 1.00 0.00 C ATOM 1320 CH2 TRP A 86 29.618 2.941 3.003 1.00 0.00 C ATOM 0 H TRP A 86 23.035 2.597 -1.138 1.00 0.00 H new ATOM 0 HA TRP A 86 23.469 4.400 0.839 1.00 0.00 H new ATOM 0 HB2 TRP A 86 24.149 1.961 0.723 1.00 0.00 H new ATOM 0 HB3 TRP A 86 25.541 2.443 -0.227 1.00 0.00 H new ATOM 0 HD1 TRP A 86 24.053 3.628 3.203 1.00 0.00 H new ATOM 0 HE1 TRP A 86 25.992 3.894 4.893 1.00 0.00 H new ATOM 0 HE3 TRP A 86 27.913 2.308 0.125 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 28.787 3.570 4.870 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 30.201 2.312 1.033 1.00 0.00 H new ATOM 0 HH2 TRP A 86 30.632 2.933 3.376 1.00 0.00 H new ATOM 1331 N ARG A 87 25.597 4.899 -1.628 1.00 0.00 N ATOM 1332 CA ARG A 87 26.545 5.859 -2.182 1.00 0.00 C ATOM 1333 C ARG A 87 25.864 7.195 -2.464 1.00 0.00 C ATOM 1334 O ARG A 87 26.461 8.258 -2.288 1.00 0.00 O ATOM 1335 CB ARG A 87 27.167 5.310 -3.467 1.00 0.00 C ATOM 1336 CG ARG A 87 27.951 4.024 -3.263 1.00 0.00 C ATOM 1337 CD ARG A 87 29.381 4.305 -2.831 1.00 0.00 C ATOM 1338 NE ARG A 87 30.157 4.947 -3.888 1.00 0.00 N ATOM 1339 CZ ARG A 87 31.221 5.709 -3.660 1.00 0.00 C ATOM 1340 NH1 ARG A 87 31.634 5.922 -2.419 1.00 0.00 N ATOM 1341 NH2 ARG A 87 31.875 6.259 -4.676 1.00 0.00 N ATOM 0 H ARG A 87 25.400 4.103 -2.234 1.00 0.00 H new ATOM 0 HA ARG A 87 27.332 6.021 -1.446 1.00 0.00 H new ATOM 0 HB2 ARG A 87 26.376 5.132 -4.196 1.00 0.00 H new ATOM 0 HB3 ARG A 87 27.828 6.065 -3.892 1.00 0.00 H new ATOM 0 HG2 ARG A 87 27.456 3.411 -2.510 1.00 0.00 H new ATOM 0 HG3 ARG A 87 27.956 3.449 -4.189 1.00 0.00 H new ATOM 0 HD2 ARG A 87 29.374 4.944 -1.948 1.00 0.00 H new ATOM 0 HD3 ARG A 87 29.863 3.370 -2.544 1.00 0.00 H new ATOM 0 HE ARG A 87 29.866 4.802 -4.855 1.00 0.00 H new ATOM 0 HH11 ARG A 87 31.135 5.500 -1.636 1.00 0.00 H new ATOM 0 HH12 ARG A 87 32.451 6.508 -2.247 1.00 0.00 H new ATOM 0 HH21 ARG A 87 31.561 6.097 -5.633 1.00 0.00 H new ATOM 0 HH22 ARG A 87 32.692 6.844 -4.500 1.00 0.00 H new ATOM 1355 N HIS A 88 24.611 7.134 -2.903 1.00 0.00 N ATOM 1356 CA HIS A 88 23.848 8.339 -3.209 1.00 0.00 C ATOM 1357 C HIS A 88 23.505 9.103 -1.934 1.00 0.00 C ATOM 1358 O HIS A 88 23.272 10.311 -1.968 1.00 0.00 O ATOM 1359 CB HIS A 88 22.567 7.979 -3.963 1.00 0.00 C ATOM 1360 CG HIS A 88 21.516 9.044 -3.900 1.00 0.00 C ATOM 1361 ND1 HIS A 88 21.504 10.140 -4.738 1.00 0.00 N ATOM 1362 CD2 HIS A 88 20.437 9.177 -3.094 1.00 0.00 C ATOM 1363 CE1 HIS A 88 20.463 10.900 -4.448 1.00 0.00 C ATOM 1364 NE2 HIS A 88 19.800 10.338 -3.454 1.00 0.00 N ATOM 0 H HIS A 88 24.102 6.263 -3.055 1.00 0.00 H new ATOM 0 HA HIS A 88 24.464 8.979 -3.840 1.00 0.00 H new ATOM 0 HB2 HIS A 88 22.812 7.783 -5.007 1.00 0.00 H new ATOM 0 HB3 HIS A 88 22.161 7.055 -3.552 1.00 0.00 H new ATOM 0 HD1 HIS A 88 22.191 10.333 -5.467 1.00 0.00 H new ATOM 0 HD2 HIS A 88 20.134 8.496 -2.313 1.00 0.00 H new ATOM 0 HE1 HIS A 88 20.199 11.824 -4.940 1.00 0.00 H new ATOM 1372 N GLN A 89 23.473 8.390 -0.813 1.00 0.00 N ATOM 1373 CA GLN A 89 23.157 9.002 0.472 1.00 0.00 C ATOM 1374 C GLN A 89 24.429 9.346 1.240 1.00 0.00 C ATOM 1375 O GLN A 89 24.416 10.189 2.137 1.00 0.00 O ATOM 1376 CB GLN A 89 22.281 8.065 1.306 1.00 0.00 C ATOM 1377 CG GLN A 89 20.982 7.674 0.619 1.00 0.00 C ATOM 1378 CD GLN A 89 20.109 6.788 1.484 1.00 0.00 C ATOM 1379 OE1 GLN A 89 19.024 7.189 1.908 1.00 0.00 O ATOM 1380 NE2 GLN A 89 20.577 5.574 1.751 1.00 0.00 N ATOM 0 H GLN A 89 23.662 7.389 -0.769 1.00 0.00 H new ATOM 0 HA GLN A 89 22.610 9.925 0.281 1.00 0.00 H new ATOM 0 HB2 GLN A 89 22.846 7.162 1.537 1.00 0.00 H new ATOM 0 HB3 GLN A 89 22.049 8.547 2.256 1.00 0.00 H new ATOM 0 HG2 GLN A 89 20.429 8.576 0.355 1.00 0.00 H new ATOM 0 HG3 GLN A 89 21.210 7.155 -0.312 1.00 0.00 H new ATOM 0 HE21 GLN A 89 21.481 5.283 1.379 1.00 0.00 H new ATOM 0 HE22 GLN A 89 20.032 4.933 2.328 1.00 0.00 H new ATOM 1389 N VAL A 90 25.526 8.687 0.882 1.00 0.00 N ATOM 1390 CA VAL A 90 26.808 8.923 1.537 1.00 0.00 C ATOM 1391 C VAL A 90 27.643 9.936 0.761 1.00 0.00 C ATOM 1392 O VAL A 90 28.472 10.641 1.336 1.00 0.00 O ATOM 1393 CB VAL A 90 27.611 7.618 1.685 1.00 0.00 C ATOM 1394 CG1 VAL A 90 28.981 7.899 2.284 1.00 0.00 C ATOM 1395 CG2 VAL A 90 26.845 6.615 2.534 1.00 0.00 C ATOM 0 H VAL A 90 25.553 7.985 0.142 1.00 0.00 H new ATOM 0 HA VAL A 90 26.589 9.320 2.528 1.00 0.00 H new ATOM 0 HB VAL A 90 27.755 7.186 0.695 1.00 0.00 H new ATOM 0 HG11 VAL A 90 29.534 6.965 2.381 1.00 0.00 H new ATOM 0 HG12 VAL A 90 29.530 8.580 1.633 1.00 0.00 H new ATOM 0 HG13 VAL A 90 28.862 8.354 3.267 1.00 0.00 H new ATOM 0 HG21 VAL A 90 27.427 5.698 2.628 1.00 0.00 H new ATOM 0 HG22 VAL A 90 26.668 7.036 3.524 1.00 0.00 H new ATOM 0 HG23 VAL A 90 25.890 6.391 2.059 1.00 0.00 H new ATOM 1405 N GLU A 91 27.418 10.002 -0.547 1.00 0.00 N ATOM 1406 CA GLU A 91 28.150 10.929 -1.402 1.00 0.00 C ATOM 1407 C GLU A 91 27.433 12.273 -1.488 1.00 0.00 C ATOM 1408 O GLU A 91 28.064 13.329 -1.461 1.00 0.00 O ATOM 1409 CB GLU A 91 28.322 10.339 -2.803 1.00 0.00 C ATOM 1410 CG GLU A 91 29.219 9.114 -2.842 1.00 0.00 C ATOM 1411 CD GLU A 91 29.898 8.930 -4.185 1.00 0.00 C ATOM 1412 OE1 GLU A 91 30.948 9.568 -4.411 1.00 0.00 O ATOM 1413 OE2 GLU A 91 29.380 8.150 -5.011 1.00 0.00 O ATOM 0 H GLU A 91 26.735 9.425 -1.038 1.00 0.00 H new ATOM 0 HA GLU A 91 29.134 11.090 -0.961 1.00 0.00 H new ATOM 0 HB2 GLU A 91 27.342 10.074 -3.199 1.00 0.00 H new ATOM 0 HB3 GLU A 91 28.736 11.103 -3.461 1.00 0.00 H new ATOM 0 HG2 GLU A 91 29.978 9.199 -2.064 1.00 0.00 H new ATOM 0 HG3 GLU A 91 28.627 8.228 -2.614 1.00 0.00 H new ATOM 1420 N VAL A 92 26.108 12.224 -1.593 1.00 0.00 N ATOM 1421 CA VAL A 92 25.303 13.437 -1.683 1.00 0.00 C ATOM 1422 C VAL A 92 24.847 13.897 -0.303 1.00 0.00 C ATOM 1423 O VAL A 92 25.265 14.950 0.181 1.00 0.00 O ATOM 1424 CB VAL A 92 24.066 13.224 -2.576 1.00 0.00 C ATOM 1425 CG1 VAL A 92 23.295 14.525 -2.739 1.00 0.00 C ATOM 1426 CG2 VAL A 92 24.477 12.665 -3.930 1.00 0.00 C ATOM 0 H VAL A 92 25.570 11.358 -1.618 1.00 0.00 H new ATOM 0 HA VAL A 92 25.936 14.205 -2.128 1.00 0.00 H new ATOM 0 HB VAL A 92 23.411 12.499 -2.093 1.00 0.00 H new ATOM 0 HG11 VAL A 92 22.425 14.355 -3.373 1.00 0.00 H new ATOM 0 HG12 VAL A 92 22.968 14.879 -1.761 1.00 0.00 H new ATOM 0 HG13 VAL A 92 23.939 15.274 -3.200 1.00 0.00 H new ATOM 0 HG21 VAL A 92 23.591 12.521 -4.548 1.00 0.00 H new ATOM 0 HG22 VAL A 92 25.153 13.364 -4.422 1.00 0.00 H new ATOM 0 HG23 VAL A 92 24.982 11.709 -3.791 1.00 0.00 H new ATOM 1436 N HIS A 93 23.988 13.102 0.326 1.00 0.00 N ATOM 1437 CA HIS A 93 23.476 13.427 1.652 1.00 0.00 C ATOM 1438 C HIS A 93 24.562 13.260 2.711 1.00 0.00 C ATOM 1439 O HIS A 93 24.546 13.931 3.741 1.00 0.00 O ATOM 1440 CB HIS A 93 22.277 12.541 1.991 1.00 0.00 C ATOM 1441 CG HIS A 93 21.143 12.671 1.020 1.00 0.00 C ATOM 1442 ND1 HIS A 93 20.075 13.520 1.219 1.00 0.00 N ATOM 1443 CD2 HIS A 93 20.916 12.054 -0.163 1.00 0.00 C ATOM 1444 CE1 HIS A 93 19.239 13.418 0.202 1.00 0.00 C ATOM 1445 NE2 HIS A 93 19.726 12.535 -0.652 1.00 0.00 N ATOM 0 H HIS A 93 23.632 12.228 -0.061 1.00 0.00 H new ATOM 0 HA HIS A 93 23.158 14.469 1.645 1.00 0.00 H new ATOM 0 HB2 HIS A 93 22.601 11.501 2.021 1.00 0.00 H new ATOM 0 HB3 HIS A 93 21.920 12.793 2.990 1.00 0.00 H new ATOM 0 HD1 HIS A 93 19.950 14.131 2.026 1.00 0.00 H new ATOM 0 HD2 HIS A 93 21.552 11.320 -0.635 1.00 0.00 H new ATOM 0 HE1 HIS A 93 18.314 13.964 0.088 1.00 0.00 H new ATOM 1453 N ASN A 94 25.503 12.359 2.448 1.00 0.00 N ATOM 1454 CA ASN A 94 26.596 12.103 3.379 1.00 0.00 C ATOM 1455 C ASN A 94 26.064 11.612 4.722 1.00 0.00 C ATOM 1456 O ASN A 94 26.394 12.164 5.770 1.00 0.00 O ATOM 1457 CB ASN A 94 27.430 13.370 3.581 1.00 0.00 C ATOM 1458 CG ASN A 94 28.535 13.178 4.602 1.00 0.00 C ATOM 1459 OD1 ASN A 94 29.023 12.066 4.803 1.00 0.00 O ATOM 1460 ND2 ASN A 94 28.934 14.265 5.252 1.00 0.00 N ATOM 0 H ASN A 94 25.531 11.795 1.599 1.00 0.00 H new ATOM 0 HA ASN A 94 27.228 11.324 2.952 1.00 0.00 H new ATOM 0 HB2 ASN A 94 27.867 13.670 2.629 1.00 0.00 H new ATOM 0 HB3 ASN A 94 26.779 14.183 3.903 1.00 0.00 H new ATOM 0 HD21 ASN A 94 29.674 14.198 5.951 1.00 0.00 H new ATOM 0 HD22 ASN A 94 28.501 15.166 5.052 1.00 0.00 H new ATOM 1467 N GLN A 95 25.239 10.570 4.680 1.00 0.00 N ATOM 1468 CA GLN A 95 24.661 10.005 5.893 1.00 0.00 C ATOM 1469 C GLN A 95 25.021 8.530 6.032 1.00 0.00 C ATOM 1470 O GLN A 95 24.336 7.660 5.496 1.00 0.00 O ATOM 1471 CB GLN A 95 23.140 10.172 5.884 1.00 0.00 C ATOM 1472 CG GLN A 95 22.671 11.505 6.445 1.00 0.00 C ATOM 1473 CD GLN A 95 22.819 11.590 7.951 1.00 0.00 C ATOM 1474 OE1 GLN A 95 22.668 10.593 8.658 1.00 0.00 O ATOM 1475 NE2 GLN A 95 23.117 12.783 8.451 1.00 0.00 N ATOM 0 H GLN A 95 24.956 10.101 3.820 1.00 0.00 H new ATOM 0 HA GLN A 95 25.074 10.543 6.746 1.00 0.00 H new ATOM 0 HB2 GLN A 95 22.778 10.070 4.861 1.00 0.00 H new ATOM 0 HB3 GLN A 95 22.691 9.365 6.463 1.00 0.00 H new ATOM 0 HG2 GLN A 95 23.241 12.310 5.982 1.00 0.00 H new ATOM 0 HG3 GLN A 95 21.626 11.660 6.177 1.00 0.00 H new ATOM 0 HE21 GLN A 95 23.233 13.582 7.828 1.00 0.00 H new ATOM 0 HE22 GLN A 95 23.230 12.900 9.458 1.00 0.00 H new ATOM 1484 N ASN A 96 26.102 8.255 6.755 1.00 0.00 N ATOM 1485 CA ASN A 96 26.554 6.885 6.964 1.00 0.00 C ATOM 1486 C ASN A 96 25.909 6.282 8.207 1.00 0.00 C ATOM 1487 O ASN A 96 26.492 6.296 9.291 1.00 0.00 O ATOM 1488 CB ASN A 96 28.078 6.843 7.095 1.00 0.00 C ATOM 1489 CG ASN A 96 28.780 7.263 5.819 1.00 0.00 C ATOM 1490 OD1 ASN A 96 29.476 6.467 5.188 1.00 0.00 O ATOM 1491 ND2 ASN A 96 28.601 8.521 5.432 1.00 0.00 N ATOM 0 H ASN A 96 26.681 8.963 7.206 1.00 0.00 H new ATOM 0 HA ASN A 96 26.254 6.294 6.099 1.00 0.00 H new ATOM 0 HB2 ASN A 96 28.388 7.498 7.909 1.00 0.00 H new ATOM 0 HB3 ASN A 96 28.389 5.833 7.362 1.00 0.00 H new ATOM 0 HD21 ASN A 96 29.049 8.861 4.581 1.00 0.00 H new ATOM 0 HD22 ASN A 96 28.016 9.147 5.986 1.00 0.00 H new ATOM 1498 N ASN A 97 24.701 5.752 8.043 1.00 0.00 N ATOM 1499 CA ASN A 97 23.975 5.144 9.152 1.00 0.00 C ATOM 1500 C ASN A 97 24.126 3.626 9.134 1.00 0.00 C ATOM 1501 O ASN A 97 24.542 3.022 10.122 1.00 0.00 O ATOM 1502 CB ASN A 97 22.494 5.521 9.088 1.00 0.00 C ATOM 1503 CG ASN A 97 21.772 5.256 10.395 1.00 0.00 C ATOM 1504 OD1 ASN A 97 22.085 5.858 11.423 1.00 0.00 O ATOM 1505 ND2 ASN A 97 20.801 4.351 10.362 1.00 0.00 N ATOM 0 H ASN A 97 24.204 5.731 7.152 1.00 0.00 H new ATOM 0 HA ASN A 97 24.399 5.523 10.082 1.00 0.00 H new ATOM 0 HB2 ASN A 97 22.402 6.577 8.833 1.00 0.00 H new ATOM 0 HB3 ASN A 97 22.013 4.957 8.289 1.00 0.00 H new ATOM 0 HD21 ASN A 97 20.281 4.130 11.211 1.00 0.00 H new ATOM 0 HD22 ASN A 97 20.576 3.877 9.488 1.00 0.00 H new ATOM 1512 N MET A 98 23.786 3.017 8.003 1.00 0.00 N ATOM 1513 CA MET A 98 23.886 1.569 7.856 1.00 0.00 C ATOM 1514 C MET A 98 24.504 1.201 6.511 1.00 0.00 C ATOM 1515 O MET A 98 24.219 1.832 5.493 1.00 0.00 O ATOM 1516 CB MET A 98 22.504 0.925 7.989 1.00 0.00 C ATOM 1517 CG MET A 98 21.553 1.288 6.860 1.00 0.00 C ATOM 1518 SD MET A 98 20.185 0.124 6.704 1.00 0.00 S ATOM 1519 CE MET A 98 21.025 -1.296 6.008 1.00 0.00 C ATOM 0 H MET A 98 23.439 3.503 7.176 1.00 0.00 H new ATOM 0 HA MET A 98 24.532 1.192 8.648 1.00 0.00 H new ATOM 0 HB2 MET A 98 22.619 -0.158 8.022 1.00 0.00 H new ATOM 0 HB3 MET A 98 22.061 1.228 8.938 1.00 0.00 H new ATOM 0 HG2 MET A 98 21.156 2.288 7.032 1.00 0.00 H new ATOM 0 HG3 MET A 98 22.106 1.321 5.921 1.00 0.00 H new ATOM 0 HE1 MET A 98 20.297 -1.951 5.530 1.00 0.00 H new ATOM 0 HE2 MET A 98 21.753 -0.962 5.269 1.00 0.00 H new ATOM 0 HE3 MET A 98 21.538 -1.840 6.801 1.00 0.00 H new ATOM 1529 N ALA A 99 25.350 0.177 6.514 1.00 0.00 N ATOM 1530 CA ALA A 99 26.007 -0.276 5.294 1.00 0.00 C ATOM 1531 C ALA A 99 25.935 -1.793 5.162 1.00 0.00 C ATOM 1532 O ALA A 99 25.874 -2.524 6.151 1.00 0.00 O ATOM 1533 CB ALA A 99 27.455 0.190 5.269 1.00 0.00 C ATOM 0 H ALA A 99 25.597 -0.355 7.348 1.00 0.00 H new ATOM 0 HA ALA A 99 25.482 0.161 4.445 1.00 0.00 H new ATOM 0 HB1 ALA A 99 27.933 -0.156 4.352 1.00 0.00 H new ATOM 0 HB2 ALA A 99 27.488 1.279 5.307 1.00 0.00 H new ATOM 0 HB3 ALA A 99 27.984 -0.219 6.130 1.00 0.00 H new ATOM 1539 N PRO A 100 25.941 -2.280 3.912 1.00 0.00 N ATOM 1540 CA PRO A 100 25.877 -3.716 3.622 1.00 0.00 C ATOM 1541 C PRO A 100 27.156 -4.445 4.017 1.00 0.00 C ATOM 1542 O PRO A 100 28.100 -3.836 4.521 1.00 0.00 O ATOM 1543 CB PRO A 100 25.682 -3.763 2.104 1.00 0.00 C ATOM 1544 CG PRO A 100 26.265 -2.485 1.608 1.00 0.00 C ATOM 1545 CD PRO A 100 26.012 -1.468 2.686 1.00 0.00 C ATOM 0 HA PRO A 100 25.084 -4.210 4.183 1.00 0.00 H new ATOM 0 HB2 PRO A 100 26.186 -4.624 1.666 1.00 0.00 H new ATOM 0 HB3 PRO A 100 24.627 -3.845 1.843 1.00 0.00 H new ATOM 0 HG2 PRO A 100 27.332 -2.592 1.415 1.00 0.00 H new ATOM 0 HG3 PRO A 100 25.800 -2.183 0.669 1.00 0.00 H new ATOM 0 HD2 PRO A 100 26.813 -0.731 2.738 1.00 0.00 H new ATOM 0 HD3 PRO A 100 25.086 -0.921 2.512 1.00 0.00 H new ATOM 1553 N THR A 101 27.182 -5.754 3.785 1.00 0.00 N ATOM 1554 CA THR A 101 28.345 -6.566 4.118 1.00 0.00 C ATOM 1555 C THR A 101 29.277 -6.709 2.920 1.00 0.00 C ATOM 1556 O THR A 101 29.064 -7.557 2.053 1.00 0.00 O ATOM 1557 CB THR A 101 27.931 -7.969 4.601 1.00 0.00 C ATOM 1558 OG1 THR A 101 26.889 -7.863 5.578 1.00 0.00 O ATOM 1559 CG2 THR A 101 29.119 -8.708 5.198 1.00 0.00 C ATOM 0 H THR A 101 26.410 -6.274 3.368 1.00 0.00 H new ATOM 0 HA THR A 101 28.869 -6.052 4.924 1.00 0.00 H new ATOM 0 HB THR A 101 27.567 -8.532 3.742 1.00 0.00 H new ATOM 0 HG1 THR A 101 26.630 -8.759 5.879 1.00 0.00 H new ATOM 0 HG21 THR A 101 28.802 -9.696 5.532 1.00 0.00 H new ATOM 0 HG22 THR A 101 29.899 -8.813 4.444 1.00 0.00 H new ATOM 0 HG23 THR A 101 29.508 -8.146 6.047 1.00 0.00 H new ATOM 1567 N SER A 102 30.311 -5.875 2.878 1.00 0.00 N ATOM 1568 CA SER A 102 31.274 -5.906 1.783 1.00 0.00 C ATOM 1569 C SER A 102 32.625 -5.358 2.233 1.00 0.00 C ATOM 1570 O SER A 102 32.727 -4.215 2.678 1.00 0.00 O ATOM 1571 CB SER A 102 30.753 -5.097 0.594 1.00 0.00 C ATOM 1572 OG SER A 102 31.785 -4.847 -0.344 1.00 0.00 O ATOM 0 H SER A 102 30.504 -5.170 3.589 1.00 0.00 H new ATOM 0 HA SER A 102 31.406 -6.944 1.477 1.00 0.00 H new ATOM 0 HB2 SER A 102 29.940 -5.639 0.110 1.00 0.00 H new ATOM 0 HB3 SER A 102 30.340 -4.152 0.946 1.00 0.00 H new ATOM 0 HG SER A 102 31.426 -4.330 -1.095 1.00 0.00 H new ATOM 1578 N GLY A 103 33.661 -6.182 2.113 1.00 0.00 N ATOM 1579 CA GLY A 103 34.992 -5.764 2.511 1.00 0.00 C ATOM 1580 C GLY A 103 35.796 -6.893 3.124 1.00 0.00 C ATOM 1581 O GLY A 103 35.367 -7.543 4.077 1.00 0.00 O ATOM 0 H GLY A 103 33.602 -7.132 1.747 1.00 0.00 H new ATOM 0 HA2 GLY A 103 35.522 -5.375 1.642 1.00 0.00 H new ATOM 0 HA3 GLY A 103 34.913 -4.947 3.228 1.00 0.00 H new ATOM 1585 N PRO A 104 36.992 -7.142 2.570 1.00 0.00 N ATOM 1586 CA PRO A 104 37.883 -8.202 3.051 1.00 0.00 C ATOM 1587 C PRO A 104 38.473 -7.886 4.421 1.00 0.00 C ATOM 1588 O PRO A 104 39.283 -8.647 4.949 1.00 0.00 O ATOM 1589 CB PRO A 104 38.985 -8.249 1.991 1.00 0.00 C ATOM 1590 CG PRO A 104 38.993 -6.884 1.393 1.00 0.00 C ATOM 1591 CD PRO A 104 37.568 -6.407 1.431 1.00 0.00 C ATOM 0 HA PRO A 104 37.358 -9.148 3.180 1.00 0.00 H new ATOM 0 HB2 PRO A 104 39.951 -8.493 2.434 1.00 0.00 H new ATOM 0 HB3 PRO A 104 38.778 -9.010 1.238 1.00 0.00 H new ATOM 0 HG2 PRO A 104 39.644 -6.215 1.956 1.00 0.00 H new ATOM 0 HG3 PRO A 104 39.369 -6.908 0.370 1.00 0.00 H new ATOM 0 HD2 PRO A 104 37.509 -5.329 1.578 1.00 0.00 H new ATOM 0 HD3 PRO A 104 37.044 -6.631 0.502 1.00 0.00 H new ATOM 1599 N SER A 105 38.063 -6.757 4.991 1.00 0.00 N ATOM 1600 CA SER A 105 38.554 -6.338 6.298 1.00 0.00 C ATOM 1601 C SER A 105 37.629 -6.827 7.409 1.00 0.00 C ATOM 1602 O SER A 105 36.765 -6.090 7.881 1.00 0.00 O ATOM 1603 CB SER A 105 38.678 -4.814 6.356 1.00 0.00 C ATOM 1604 OG SER A 105 39.073 -4.383 7.647 1.00 0.00 O ATOM 0 H SER A 105 37.392 -6.116 4.568 1.00 0.00 H new ATOM 0 HA SER A 105 39.539 -6.781 6.447 1.00 0.00 H new ATOM 0 HB2 SER A 105 39.406 -4.477 5.618 1.00 0.00 H new ATOM 0 HB3 SER A 105 37.723 -4.358 6.093 1.00 0.00 H new ATOM 0 HG SER A 105 39.147 -3.406 7.657 1.00 0.00 H new ATOM 1610 N SER A 106 37.818 -8.077 7.820 1.00 0.00 N ATOM 1611 CA SER A 106 37.000 -8.667 8.873 1.00 0.00 C ATOM 1612 C SER A 106 37.815 -8.870 10.146 1.00 0.00 C ATOM 1613 O SER A 106 38.763 -9.653 10.172 1.00 0.00 O ATOM 1614 CB SER A 106 36.419 -10.004 8.407 1.00 0.00 C ATOM 1615 OG SER A 106 35.605 -10.584 9.411 1.00 0.00 O ATOM 0 H SER A 106 38.530 -8.700 7.440 1.00 0.00 H new ATOM 0 HA SER A 106 36.183 -7.980 9.092 1.00 0.00 H new ATOM 0 HB2 SER A 106 35.832 -9.853 7.501 1.00 0.00 H new ATOM 0 HB3 SER A 106 37.229 -10.687 8.152 1.00 0.00 H new ATOM 0 HG SER A 106 35.245 -11.436 9.088 1.00 0.00 H new ATOM 1621 N GLY A 107 37.437 -8.157 11.203 1.00 0.00 N ATOM 1622 CA GLY A 107 38.143 -8.272 12.466 1.00 0.00 C ATOM 1623 C GLY A 107 39.648 -8.206 12.297 1.00 0.00 C ATOM 1624 O GLY A 107 40.341 -9.118 12.745 1.00 0.00 O ATOM 0 H GLY A 107 36.655 -7.502 11.207 1.00 0.00 H new ATOM 0 HA2 GLY A 107 37.820 -7.473 13.133 1.00 0.00 H new ATOM 0 HA3 GLY A 107 37.875 -9.214 12.944 1.00 0.00 H new TER 1628 GLY A 107 HETATM 1629 ZN ZN A 301 -10.697 -3.716 -6.676 1.00 0.00 ZN HETATM 1630 ZN ZN A 501 5.920 -0.780 -0.698 1.00 0.00 ZN HETATM 1631 ZN ZN A 701 18.345 10.946 -1.684 1.00 0.00 ZN