USER MOD reduce.3.24.130724 H: found=0, std=0, add=967, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 964 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 77 HIS HD1 : A 77 HIS ND1 : A 501 ZNZN :(H bumps) USER MOD NoAdj-H: A 77 HIS HE2 : A 77 HIS NE2 : A 500 ZNZN :(H bumps) USER MOD NoAdj-H: A 107 HIS HD1 : A 107 HIS ND1 : A 502 ZNZN :(H bumps) USER MOD Set 1.1: A 81 HIS : no HD1:sc= 0.184 K(o=-1.7,f=-8.6!) USER MOD Set 1.2: A 100 HIS : no HD1:sc= -1.86! C(o=-1.7!,f=-12!) USER MOD Set 2.1: A 37 ASN : amide:sc= 0.773 K(o=1.9,f=-3.9!) USER MOD Set 2.2: A 85 SER OG : rot -170:sc= 1.09 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 159:sc= 2.41 (180deg=2.03) USER MOD Single : A 9 LYS NZ :NH3+ -162:sc= -0.0386 (180deg=-0.358) USER MOD Single : A 12 GLN : amide:sc= -0.6 X(o=-0.6,f=-0.8) USER MOD Single : A 13 GLN : amide:sc= -0.0276 K(o=-0.028,f=-1.3!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -168:sc= -2.21! (180deg=-2.89!) USER MOD Single : A 24 LYS NZ :NH3+ 162:sc= 0.653 (180deg=-0.0313) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 GLN : amide:sc= -0.209 K(o=-0.21,f=-3.5!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 173:sc= 1.1 (180deg=0.827) USER MOD Single : A 46 GLN : amide:sc= -0.0316 K(o=-0.032,f=-0.59) USER MOD Single : A 49 LYS NZ :NH3+ 168:sc= -0.037 (180deg=-0.218) USER MOD Single : A 51 TYR OH : rot 48:sc= -1.13! USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 151:sc= 1.16 (180deg=-1.24) USER MOD Single : A 60 ASN : amide:sc=-0.000634 X(o=-0.00063,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.109) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0.09) USER MOD Single : A 69 LYS NZ :NH3+ -128:sc= -1.07! (180deg=-3.81!) USER MOD Single : A 76 LYS NZ :NH3+ -133:sc= 0.0902 (180deg=-0.162) USER MOD Single : A 82 LYS NZ :NH3+ -159:sc= 1.22 (180deg=0.905) USER MOD Single : A 86 LYS NZ :NH3+ 137:sc=-0.00491 (180deg=-0.0848) USER MOD Single : A 87 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= 0 K(o=0,f=-0.99) USER MOD Single : A 99 GLN : amide:sc=-0.00109 K(o=-0.0011,f=-0.78) USER MOD Single : A 102 GLN : amide:sc= -0.0702 X(o=-0.07,f=-0.047) USER MOD Single : A 105 GLN : amide:sc= -1.27 K(o=-1.3,f=-0.64) USER MOD Single : A 113 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0468) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 ASN : amide:sc= 0.964 K(o=0.96,f=-0.61) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.663 -6.456 -5.776 1.00 0.00 N ATOM 2 CA MET A 1 -17.898 -7.750 -6.459 1.00 0.00 C ATOM 3 C MET A 1 -17.425 -8.912 -5.596 1.00 0.00 C ATOM 4 O MET A 1 -18.207 -9.808 -5.276 1.00 0.00 O ATOM 5 CB MET A 1 -17.185 -7.792 -7.815 1.00 0.00 C ATOM 6 CG MET A 1 -17.887 -7.004 -8.913 1.00 0.00 C ATOM 7 SD MET A 1 -17.994 -5.236 -8.569 1.00 0.00 S ATOM 8 CE MET A 1 -18.895 -4.677 -10.013 1.00 0.00 C ATOM 0 H1 MET A 1 -17.649 -5.690 -6.479 1.00 0.00 H new ATOM 0 H2 MET A 1 -18.425 -6.282 -5.090 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.750 -6.486 -5.279 1.00 0.00 H new ATOM 0 HA MET A 1 -18.971 -7.845 -6.623 1.00 0.00 H new ATOM 0 HB2 MET A 1 -16.174 -7.403 -7.694 1.00 0.00 H new ATOM 0 HB3 MET A 1 -17.091 -8.831 -8.132 1.00 0.00 H new ATOM 0 HG2 MET A 1 -17.355 -7.152 -9.853 1.00 0.00 H new ATOM 0 HG3 MET A 1 -18.893 -7.402 -9.049 1.00 0.00 H new ATOM 0 HE1 MET A 1 -19.044 -3.599 -9.954 1.00 0.00 H new ATOM 0 HE2 MET A 1 -18.326 -4.916 -10.912 1.00 0.00 H new ATOM 0 HE3 MET A 1 -19.863 -5.176 -10.053 1.00 0.00 H new ATOM 20 N ASP A 2 -16.156 -8.888 -5.205 1.00 0.00 N ATOM 21 CA ASP A 2 -15.575 -9.975 -4.427 1.00 0.00 C ATOM 22 C ASP A 2 -14.524 -9.441 -3.467 1.00 0.00 C ATOM 23 O ASP A 2 -13.704 -8.601 -3.844 1.00 0.00 O ATOM 24 CB ASP A 2 -14.951 -11.030 -5.348 1.00 0.00 C ATOM 25 CG ASP A 2 -14.253 -12.132 -4.574 1.00 0.00 C ATOM 26 OD1 ASP A 2 -14.942 -13.034 -4.064 1.00 0.00 O ATOM 27 OD2 ASP A 2 -13.008 -12.094 -4.475 1.00 0.00 O ATOM 0 H ASP A 2 -15.510 -8.127 -5.414 1.00 0.00 H new ATOM 0 HA ASP A 2 -16.375 -10.442 -3.852 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -15.728 -11.466 -5.975 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -14.236 -10.549 -6.015 1.00 0.00 H new ATOM 32 N GLU A 3 -14.551 -9.940 -2.234 1.00 0.00 N ATOM 33 CA GLU A 3 -13.635 -9.490 -1.191 1.00 0.00 C ATOM 34 C GLU A 3 -12.185 -9.562 -1.662 1.00 0.00 C ATOM 35 O GLU A 3 -11.447 -8.584 -1.579 1.00 0.00 O ATOM 36 CB GLU A 3 -13.792 -10.348 0.068 1.00 0.00 C ATOM 37 CG GLU A 3 -15.213 -10.425 0.606 1.00 0.00 C ATOM 38 CD GLU A 3 -15.760 -9.082 1.054 1.00 0.00 C ATOM 39 OE1 GLU A 3 -15.221 -8.500 2.019 1.00 0.00 O ATOM 40 OE2 GLU A 3 -16.746 -8.611 0.453 1.00 0.00 O ATOM 0 H GLU A 3 -15.204 -10.663 -1.931 1.00 0.00 H new ATOM 0 HA GLU A 3 -13.884 -8.454 -0.963 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -13.444 -11.358 -0.150 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -13.143 -9.949 0.848 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -15.864 -10.835 -0.166 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -15.239 -11.118 1.447 1.00 0.00 H new ATOM 47 N LEU A 4 -11.796 -10.718 -2.189 1.00 0.00 N ATOM 48 CA LEU A 4 -10.406 -10.966 -2.548 1.00 0.00 C ATOM 49 C LEU A 4 -9.921 -9.993 -3.617 1.00 0.00 C ATOM 50 O LEU A 4 -8.844 -9.414 -3.487 1.00 0.00 O ATOM 51 CB LEU A 4 -10.224 -12.406 -3.034 1.00 0.00 C ATOM 52 CG LEU A 4 -10.545 -13.489 -2.000 1.00 0.00 C ATOM 53 CD1 LEU A 4 -10.401 -14.869 -2.617 1.00 0.00 C ATOM 54 CD2 LEU A 4 -9.639 -13.351 -0.788 1.00 0.00 C ATOM 0 H LEU A 4 -12.425 -11.498 -2.377 1.00 0.00 H new ATOM 0 HA LEU A 4 -9.806 -10.812 -1.651 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -10.858 -12.561 -3.907 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -9.193 -12.534 -3.362 1.00 0.00 H new ATOM 0 HG LEU A 4 -11.578 -13.362 -1.675 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -10.632 -15.628 -1.869 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -11.089 -14.966 -3.457 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -9.378 -15.006 -2.968 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -9.880 -14.128 -0.063 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -8.599 -13.454 -1.098 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -9.787 -12.372 -0.333 1.00 0.00 H new ATOM 66 N ARG A 5 -10.723 -9.799 -4.657 1.00 0.00 N ATOM 67 CA ARG A 5 -10.322 -8.942 -5.772 1.00 0.00 C ATOM 68 C ARG A 5 -10.225 -7.486 -5.340 1.00 0.00 C ATOM 69 O ARG A 5 -9.269 -6.790 -5.690 1.00 0.00 O ATOM 70 CB ARG A 5 -11.283 -9.078 -6.961 1.00 0.00 C ATOM 71 CG ARG A 5 -11.084 -10.357 -7.767 1.00 0.00 C ATOM 72 CD ARG A 5 -11.526 -11.583 -6.992 1.00 0.00 C ATOM 73 NE ARG A 5 -11.074 -12.831 -7.598 1.00 0.00 N ATOM 74 CZ ARG A 5 -11.188 -14.018 -7.006 1.00 0.00 C ATOM 75 NH1 ARG A 5 -11.801 -14.123 -5.829 1.00 0.00 N ATOM 76 NH2 ARG A 5 -10.709 -15.105 -7.594 1.00 0.00 N ATOM 0 H ARG A 5 -11.648 -10.218 -4.754 1.00 0.00 H new ATOM 0 HA ARG A 5 -9.335 -9.275 -6.093 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -12.309 -9.047 -6.593 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -11.155 -8.220 -7.621 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -11.648 -10.292 -8.698 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -10.033 -10.457 -8.037 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -11.143 -11.520 -5.973 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -12.614 -11.591 -6.924 1.00 0.00 H new ATOM 0 HE ARG A 5 -10.648 -12.792 -8.524 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -12.185 -13.293 -5.378 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -11.887 -15.034 -5.378 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -10.251 -15.034 -8.503 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -10.798 -16.013 -7.138 1.00 0.00 H new ATOM 90 N GLU A 6 -11.197 -7.032 -4.563 1.00 0.00 N ATOM 91 CA GLU A 6 -11.216 -5.651 -4.104 1.00 0.00 C ATOM 92 C GLU A 6 -10.078 -5.377 -3.120 1.00 0.00 C ATOM 93 O GLU A 6 -9.445 -4.320 -3.179 1.00 0.00 O ATOM 94 CB GLU A 6 -12.572 -5.304 -3.473 1.00 0.00 C ATOM 95 CG GLU A 6 -13.610 -4.786 -4.469 1.00 0.00 C ATOM 96 CD GLU A 6 -14.020 -5.804 -5.519 1.00 0.00 C ATOM 97 OE1 GLU A 6 -13.285 -5.974 -6.512 1.00 0.00 O ATOM 98 OE2 GLU A 6 -15.098 -6.415 -5.369 1.00 0.00 O ATOM 0 H GLU A 6 -11.981 -7.598 -4.238 1.00 0.00 H new ATOM 0 HA GLU A 6 -11.068 -5.011 -4.974 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -12.969 -6.191 -2.980 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -12.419 -4.551 -2.700 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -14.497 -4.467 -3.921 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -13.210 -3.904 -4.969 1.00 0.00 H new ATOM 105 N LEU A 7 -9.813 -6.327 -2.226 1.00 0.00 N ATOM 106 CA LEU A 7 -8.762 -6.153 -1.220 1.00 0.00 C ATOM 107 C LEU A 7 -7.365 -6.249 -1.837 1.00 0.00 C ATOM 108 O LEU A 7 -6.484 -5.445 -1.527 1.00 0.00 O ATOM 109 CB LEU A 7 -8.889 -7.208 -0.113 1.00 0.00 C ATOM 110 CG LEU A 7 -10.211 -7.213 0.657 1.00 0.00 C ATOM 111 CD1 LEU A 7 -10.202 -8.304 1.715 1.00 0.00 C ATOM 112 CD2 LEU A 7 -10.472 -5.860 1.292 1.00 0.00 C ATOM 0 H LEU A 7 -10.305 -7.219 -2.175 1.00 0.00 H new ATOM 0 HA LEU A 7 -8.891 -5.157 -0.798 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -8.746 -8.193 -0.558 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -8.077 -7.059 0.599 1.00 0.00 H new ATOM 0 HG LEU A 7 -11.016 -7.417 -0.048 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -11.149 -8.295 2.255 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -10.066 -9.274 1.236 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -9.385 -8.126 2.414 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -11.417 -5.889 1.834 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -9.664 -5.621 1.984 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -10.522 -5.097 0.515 1.00 0.00 H new ATOM 124 N LEU A 8 -7.175 -7.232 -2.714 1.00 0.00 N ATOM 125 CA LEU A 8 -5.858 -7.516 -3.281 1.00 0.00 C ATOM 126 C LEU A 8 -5.446 -6.428 -4.270 1.00 0.00 C ATOM 127 O LEU A 8 -4.296 -5.983 -4.276 1.00 0.00 O ATOM 128 CB LEU A 8 -5.860 -8.902 -3.957 1.00 0.00 C ATOM 129 CG LEU A 8 -4.504 -9.625 -4.040 1.00 0.00 C ATOM 130 CD1 LEU A 8 -3.585 -8.974 -5.061 1.00 0.00 C ATOM 131 CD2 LEU A 8 -3.837 -9.655 -2.673 1.00 0.00 C ATOM 0 H LEU A 8 -7.917 -7.846 -3.048 1.00 0.00 H new ATOM 0 HA LEU A 8 -5.126 -7.525 -2.473 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -6.557 -9.544 -3.418 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.249 -8.788 -4.969 1.00 0.00 H new ATOM 0 HG LEU A 8 -4.692 -10.648 -4.367 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -2.637 -9.511 -5.092 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -4.053 -9.007 -6.045 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -3.405 -7.937 -4.779 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.879 -10.169 -2.747 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.675 -8.635 -2.325 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.478 -10.182 -1.967 1.00 0.00 H new ATOM 143 N LYS A 9 -6.393 -5.990 -5.096 1.00 0.00 N ATOM 144 CA LYS A 9 -6.116 -4.991 -6.124 1.00 0.00 C ATOM 145 C LYS A 9 -5.643 -3.679 -5.506 1.00 0.00 C ATOM 146 O LYS A 9 -4.827 -2.973 -6.089 1.00 0.00 O ATOM 147 CB LYS A 9 -7.346 -4.764 -7.010 1.00 0.00 C ATOM 148 CG LYS A 9 -7.152 -3.687 -8.067 1.00 0.00 C ATOM 149 CD LYS A 9 -8.048 -3.913 -9.273 1.00 0.00 C ATOM 150 CE LYS A 9 -7.613 -5.140 -10.062 1.00 0.00 C ATOM 151 NZ LYS A 9 -6.249 -4.978 -10.640 1.00 0.00 N ATOM 0 H LYS A 9 -7.361 -6.312 -5.073 1.00 0.00 H new ATOM 0 HA LYS A 9 -5.311 -5.373 -6.751 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -7.605 -5.701 -7.503 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.192 -4.492 -6.378 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -7.365 -2.710 -7.634 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -6.110 -3.674 -8.386 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -9.080 -4.036 -8.944 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -8.022 -3.035 -9.918 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -7.629 -6.014 -9.411 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -8.327 -5.327 -10.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -6.110 -5.673 -11.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -6.147 -4.017 -11.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -5.537 -5.130 -9.897 1.00 0.00 H new ATOM 165 N ALA A 10 -6.154 -3.363 -4.321 1.00 0.00 N ATOM 166 CA ALA A 10 -5.765 -2.141 -3.622 1.00 0.00 C ATOM 167 C ALA A 10 -4.255 -2.103 -3.386 1.00 0.00 C ATOM 168 O ALA A 10 -3.603 -1.094 -3.660 1.00 0.00 O ATOM 169 CB ALA A 10 -6.509 -2.027 -2.299 1.00 0.00 C ATOM 0 H ALA A 10 -6.837 -3.934 -3.824 1.00 0.00 H new ATOM 0 HA ALA A 10 -6.033 -1.292 -4.250 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -6.208 -1.111 -1.790 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -7.583 -2.002 -2.486 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.270 -2.886 -1.672 1.00 0.00 H new ATOM 175 N GLU A 11 -3.707 -3.217 -2.907 1.00 0.00 N ATOM 176 CA GLU A 11 -2.270 -3.333 -2.679 1.00 0.00 C ATOM 177 C GLU A 11 -1.507 -3.226 -3.989 1.00 0.00 C ATOM 178 O GLU A 11 -0.538 -2.480 -4.095 1.00 0.00 O ATOM 179 CB GLU A 11 -1.937 -4.666 -2.007 1.00 0.00 C ATOM 180 CG GLU A 11 -2.548 -4.826 -0.627 1.00 0.00 C ATOM 181 CD GLU A 11 -1.927 -3.905 0.408 1.00 0.00 C ATOM 182 OE1 GLU A 11 -1.923 -2.686 0.233 1.00 0.00 O ATOM 183 OE2 GLU A 11 -1.399 -4.399 1.417 1.00 0.00 O ATOM 0 H GLU A 11 -4.239 -4.054 -2.669 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.970 -2.516 -2.023 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -2.283 -5.480 -2.644 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -0.854 -4.762 -1.928 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -3.618 -4.629 -0.685 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.431 -5.860 -0.302 1.00 0.00 H new ATOM 190 N GLN A 12 -1.968 -3.965 -4.992 1.00 0.00 N ATOM 191 CA GLN A 12 -1.321 -3.983 -6.292 1.00 0.00 C ATOM 192 C GLN A 12 -1.355 -2.609 -6.949 1.00 0.00 C ATOM 193 O GLN A 12 -0.430 -2.243 -7.664 1.00 0.00 O ATOM 194 CB GLN A 12 -1.977 -5.023 -7.196 1.00 0.00 C ATOM 195 CG GLN A 12 -1.644 -6.452 -6.805 1.00 0.00 C ATOM 196 CD GLN A 12 -0.153 -6.737 -6.851 1.00 0.00 C ATOM 197 OE1 GLN A 12 0.581 -6.159 -7.652 1.00 0.00 O ATOM 198 NE2 GLN A 12 0.303 -7.637 -5.994 1.00 0.00 N ATOM 0 H GLN A 12 -2.793 -4.562 -4.925 1.00 0.00 H new ATOM 0 HA GLN A 12 -0.276 -4.254 -6.142 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -3.058 -4.888 -7.168 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -1.661 -4.852 -8.225 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -2.016 -6.646 -5.799 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -2.162 -7.138 -7.475 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -0.338 -8.094 -5.346 1.00 0.00 H new ATOM 0 HE22 GLN A 12 1.295 -7.873 -5.982 1.00 0.00 H new ATOM 207 N GLN A 13 -2.415 -1.852 -6.698 1.00 0.00 N ATOM 208 CA GLN A 13 -2.522 -0.491 -7.208 1.00 0.00 C ATOM 209 C GLN A 13 -1.457 0.383 -6.567 1.00 0.00 C ATOM 210 O GLN A 13 -0.773 1.147 -7.248 1.00 0.00 O ATOM 211 CB GLN A 13 -3.918 0.071 -6.934 1.00 0.00 C ATOM 212 CG GLN A 13 -4.159 1.454 -7.521 1.00 0.00 C ATOM 213 CD GLN A 13 -5.626 1.835 -7.509 1.00 0.00 C ATOM 214 OE1 GLN A 13 -6.499 0.975 -7.623 1.00 0.00 O ATOM 215 NE2 GLN A 13 -5.915 3.120 -7.373 1.00 0.00 N ATOM 0 H GLN A 13 -3.214 -2.158 -6.143 1.00 0.00 H new ATOM 0 HA GLN A 13 -2.365 -0.501 -8.287 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -4.660 -0.617 -7.338 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -4.075 0.113 -5.856 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -3.590 2.191 -6.955 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -3.787 1.482 -8.545 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -5.164 3.805 -7.281 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -6.888 3.425 -7.360 1.00 0.00 H new ATOM 224 N GLY A 14 -1.304 0.252 -5.256 1.00 0.00 N ATOM 225 CA GLY A 14 -0.250 0.965 -4.564 1.00 0.00 C ATOM 226 C GLY A 14 1.123 0.543 -5.052 1.00 0.00 C ATOM 227 O GLY A 14 1.964 1.385 -5.363 1.00 0.00 O ATOM 0 H GLY A 14 -1.890 -0.334 -4.661 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -0.376 2.037 -4.714 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -0.328 0.781 -3.492 1.00 0.00 H new ATOM 231 N ILE A 15 1.329 -0.769 -5.156 1.00 0.00 N ATOM 232 CA ILE A 15 2.590 -1.331 -5.637 1.00 0.00 C ATOM 233 C ILE A 15 2.891 -0.861 -7.057 1.00 0.00 C ATOM 234 O ILE A 15 4.025 -0.491 -7.369 1.00 0.00 O ATOM 235 CB ILE A 15 2.563 -2.878 -5.606 1.00 0.00 C ATOM 236 CG1 ILE A 15 2.418 -3.375 -4.167 1.00 0.00 C ATOM 237 CG2 ILE A 15 3.818 -3.456 -6.247 1.00 0.00 C ATOM 238 CD1 ILE A 15 2.322 -4.881 -4.050 1.00 0.00 C ATOM 0 H ILE A 15 0.630 -1.470 -4.910 1.00 0.00 H new ATOM 0 HA ILE A 15 3.375 -0.978 -4.968 1.00 0.00 H new ATOM 0 HB ILE A 15 1.703 -3.218 -6.182 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.271 -3.028 -3.584 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.527 -2.928 -3.725 1.00 0.00 H new ATOM 0 HG21 ILE A 15 3.776 -4.545 -6.213 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.881 -3.127 -7.284 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.697 -3.110 -5.703 1.00 0.00 H new ATOM 0 HD11 ILE A 15 2.221 -5.159 -3.001 1.00 0.00 H new ATOM 0 HD12 ILE A 15 1.452 -5.234 -4.604 1.00 0.00 H new ATOM 0 HD13 ILE A 15 3.223 -5.336 -4.461 1.00 0.00 H new ATOM 250 N LYS A 16 1.866 -0.878 -7.904 1.00 0.00 N ATOM 251 CA LYS A 16 1.988 -0.438 -9.290 1.00 0.00 C ATOM 252 C LYS A 16 2.552 0.978 -9.356 1.00 0.00 C ATOM 253 O LYS A 16 3.487 1.251 -10.115 1.00 0.00 O ATOM 254 CB LYS A 16 0.613 -0.485 -9.974 1.00 0.00 C ATOM 255 CG LYS A 16 0.621 -0.057 -11.433 1.00 0.00 C ATOM 256 CD LYS A 16 1.346 -1.063 -12.309 1.00 0.00 C ATOM 257 CE LYS A 16 1.332 -0.630 -13.764 1.00 0.00 C ATOM 258 NZ LYS A 16 1.977 -1.632 -14.653 1.00 0.00 N ATOM 0 H LYS A 16 0.931 -1.196 -7.650 1.00 0.00 H new ATOM 0 HA LYS A 16 2.673 -1.109 -9.809 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.223 -1.501 -9.908 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.075 0.157 -9.424 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.404 0.059 -11.784 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.101 0.917 -11.524 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.376 -1.171 -11.968 1.00 0.00 H new ATOM 0 HD3 LYS A 16 0.874 -2.041 -12.213 1.00 0.00 H new ATOM 0 HE2 LYS A 16 0.302 -0.472 -14.085 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.847 0.326 -13.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 1.945 -1.295 -15.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 2.967 -1.765 -14.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 1.471 -2.537 -14.580 1.00 0.00 H new ATOM 272 N ILE A 17 1.994 1.866 -8.544 1.00 0.00 N ATOM 273 CA ILE A 17 2.452 3.247 -8.502 1.00 0.00 C ATOM 274 C ILE A 17 3.854 3.337 -7.901 1.00 0.00 C ATOM 275 O ILE A 17 4.706 4.057 -8.416 1.00 0.00 O ATOM 276 CB ILE A 17 1.489 4.146 -7.696 1.00 0.00 C ATOM 277 CG1 ILE A 17 0.063 4.026 -8.243 1.00 0.00 C ATOM 278 CG2 ILE A 17 1.955 5.593 -7.749 1.00 0.00 C ATOM 279 CD1 ILE A 17 -0.961 4.837 -7.474 1.00 0.00 C ATOM 0 H ILE A 17 1.226 1.655 -7.907 1.00 0.00 H new ATOM 0 HA ILE A 17 2.476 3.604 -9.531 1.00 0.00 H new ATOM 0 HB ILE A 17 1.490 3.815 -6.657 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.056 4.345 -9.285 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.234 2.977 -8.229 1.00 0.00 H new ATOM 0 HG21 ILE A 17 1.268 6.218 -7.177 1.00 0.00 H new ATOM 0 HG22 ILE A 17 2.955 5.669 -7.323 1.00 0.00 H new ATOM 0 HG23 ILE A 17 1.976 5.931 -8.785 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -1.945 4.700 -7.922 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -0.985 4.503 -6.437 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.690 5.892 -7.509 1.00 0.00 H new ATOM 291 N LEU A 18 4.088 2.589 -6.824 1.00 0.00 N ATOM 292 CA LEU A 18 5.391 2.585 -6.155 1.00 0.00 C ATOM 293 C LEU A 18 6.502 2.183 -7.124 1.00 0.00 C ATOM 294 O LEU A 18 7.594 2.750 -7.103 1.00 0.00 O ATOM 295 CB LEU A 18 5.382 1.631 -4.953 1.00 0.00 C ATOM 296 CG LEU A 18 4.395 1.979 -3.835 1.00 0.00 C ATOM 297 CD1 LEU A 18 4.413 0.904 -2.761 1.00 0.00 C ATOM 298 CD2 LEU A 18 4.710 3.336 -3.225 1.00 0.00 C ATOM 0 H LEU A 18 3.393 1.978 -6.395 1.00 0.00 H new ATOM 0 HA LEU A 18 5.584 3.598 -5.802 1.00 0.00 H new ATOM 0 HB2 LEU A 18 5.157 0.627 -5.312 1.00 0.00 H new ATOM 0 HB3 LEU A 18 6.386 1.600 -4.530 1.00 0.00 H new ATOM 0 HG LEU A 18 3.397 2.028 -4.271 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.707 1.165 -1.973 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.130 -0.053 -3.199 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.415 0.828 -2.339 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.992 3.555 -2.434 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.717 3.322 -2.807 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.647 4.105 -3.995 1.00 0.00 H new ATOM 310 N LYS A 19 6.215 1.207 -7.979 1.00 0.00 N ATOM 311 CA LYS A 19 7.178 0.751 -8.975 1.00 0.00 C ATOM 312 C LYS A 19 7.447 1.832 -10.022 1.00 0.00 C ATOM 313 O LYS A 19 8.562 1.946 -10.538 1.00 0.00 O ATOM 314 CB LYS A 19 6.700 -0.540 -9.641 1.00 0.00 C ATOM 315 CG LYS A 19 6.753 -1.746 -8.715 1.00 0.00 C ATOM 316 CD LYS A 19 6.373 -3.032 -9.434 1.00 0.00 C ATOM 317 CE LYS A 19 6.578 -4.247 -8.540 1.00 0.00 C ATOM 318 NZ LYS A 19 6.251 -5.524 -9.233 1.00 0.00 N ATOM 0 H LYS A 19 5.321 0.716 -8.002 1.00 0.00 H new ATOM 0 HA LYS A 19 8.116 0.544 -8.460 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.677 -0.403 -9.991 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.314 -0.737 -10.520 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.758 -1.844 -8.304 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.078 -1.588 -7.874 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.331 -2.981 -9.748 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.974 -3.137 -10.337 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.614 -4.275 -8.202 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.955 -4.150 -7.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.406 -6.321 -8.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.255 -5.511 -9.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.863 -5.633 -10.067 1.00 0.00 H new ATOM 332 N GLU A 20 6.422 2.616 -10.343 1.00 0.00 N ATOM 333 CA GLU A 20 6.578 3.746 -11.258 1.00 0.00 C ATOM 334 C GLU A 20 7.416 4.843 -10.609 1.00 0.00 C ATOM 335 O GLU A 20 8.214 5.510 -11.274 1.00 0.00 O ATOM 336 CB GLU A 20 5.213 4.307 -11.666 1.00 0.00 C ATOM 337 CG GLU A 20 4.861 4.050 -13.122 1.00 0.00 C ATOM 338 CD GLU A 20 4.781 2.576 -13.460 1.00 0.00 C ATOM 339 OE1 GLU A 20 5.823 1.981 -13.803 1.00 0.00 O ATOM 340 OE2 GLU A 20 3.674 2.007 -13.400 1.00 0.00 O ATOM 0 H GLU A 20 5.475 2.491 -9.985 1.00 0.00 H new ATOM 0 HA GLU A 20 7.089 3.390 -12.152 1.00 0.00 H new ATOM 0 HB2 GLU A 20 4.444 3.866 -11.032 1.00 0.00 H new ATOM 0 HB3 GLU A 20 5.201 5.381 -11.482 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.904 4.521 -13.347 1.00 0.00 H new ATOM 0 HG3 GLU A 20 5.608 4.523 -13.760 1.00 0.00 H new ATOM 347 N VAL A 21 7.229 5.010 -9.304 1.00 0.00 N ATOM 348 CA VAL A 21 7.976 5.992 -8.525 1.00 0.00 C ATOM 349 C VAL A 21 9.475 5.714 -8.590 1.00 0.00 C ATOM 350 O VAL A 21 10.276 6.639 -8.664 1.00 0.00 O ATOM 351 CB VAL A 21 7.520 6.012 -7.045 1.00 0.00 C ATOM 352 CG1 VAL A 21 8.391 6.944 -6.214 1.00 0.00 C ATOM 353 CG2 VAL A 21 6.062 6.428 -6.942 1.00 0.00 C ATOM 0 H VAL A 21 6.558 4.470 -8.758 1.00 0.00 H new ATOM 0 HA VAL A 21 7.772 6.968 -8.965 1.00 0.00 H new ATOM 0 HB VAL A 21 7.627 5.002 -6.649 1.00 0.00 H new ATOM 0 HG11 VAL A 21 8.047 6.937 -5.180 1.00 0.00 H new ATOM 0 HG12 VAL A 21 9.427 6.606 -6.254 1.00 0.00 H new ATOM 0 HG13 VAL A 21 8.324 7.956 -6.612 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.759 6.436 -5.895 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.938 7.425 -7.364 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.442 5.721 -7.493 1.00 0.00 H new ATOM 363 N LEU A 22 9.840 4.437 -8.587 1.00 0.00 N ATOM 364 CA LEU A 22 11.244 4.036 -8.598 1.00 0.00 C ATOM 365 C LEU A 22 12.005 4.658 -9.772 1.00 0.00 C ATOM 366 O LEU A 22 13.097 5.195 -9.591 1.00 0.00 O ATOM 367 CB LEU A 22 11.359 2.513 -8.650 1.00 0.00 C ATOM 368 CG LEU A 22 10.757 1.779 -7.449 1.00 0.00 C ATOM 369 CD1 LEU A 22 10.862 0.273 -7.635 1.00 0.00 C ATOM 370 CD2 LEU A 22 11.443 2.205 -6.160 1.00 0.00 C ATOM 0 H LEU A 22 9.181 3.658 -8.577 1.00 0.00 H new ATOM 0 HA LEU A 22 11.696 4.403 -7.677 1.00 0.00 H new ATOM 0 HB2 LEU A 22 10.870 2.157 -9.557 1.00 0.00 H new ATOM 0 HB3 LEU A 22 12.413 2.245 -8.730 1.00 0.00 H new ATOM 0 HG LEU A 22 9.702 2.045 -7.380 1.00 0.00 H new ATOM 0 HD11 LEU A 22 10.429 -0.231 -6.771 1.00 0.00 H new ATOM 0 HD12 LEU A 22 10.322 -0.021 -8.535 1.00 0.00 H new ATOM 0 HD13 LEU A 22 11.910 -0.009 -7.732 1.00 0.00 H new ATOM 0 HD21 LEU A 22 11.000 1.672 -5.319 1.00 0.00 H new ATOM 0 HD22 LEU A 22 12.506 1.971 -6.219 1.00 0.00 H new ATOM 0 HD23 LEU A 22 11.315 3.278 -6.017 1.00 0.00 H new ATOM 382 N LYS A 23 11.422 4.605 -10.967 1.00 0.00 N ATOM 383 CA LYS A 23 12.056 5.202 -12.138 1.00 0.00 C ATOM 384 C LYS A 23 12.065 6.719 -12.037 1.00 0.00 C ATOM 385 O LYS A 23 13.067 7.366 -12.326 1.00 0.00 O ATOM 386 CB LYS A 23 11.341 4.804 -13.427 1.00 0.00 C ATOM 387 CG LYS A 23 11.563 3.364 -13.850 1.00 0.00 C ATOM 388 CD LYS A 23 11.020 3.103 -15.252 1.00 0.00 C ATOM 389 CE LYS A 23 11.986 3.542 -16.356 1.00 0.00 C ATOM 390 NZ LYS A 23 12.378 4.976 -16.258 1.00 0.00 N ATOM 0 H LYS A 23 10.522 4.160 -11.149 1.00 0.00 H new ATOM 0 HA LYS A 23 13.079 4.828 -12.166 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.271 4.972 -13.301 1.00 0.00 H new ATOM 0 HB3 LYS A 23 11.674 5.461 -14.230 1.00 0.00 H new ATOM 0 HG2 LYS A 23 12.629 3.136 -13.823 1.00 0.00 H new ATOM 0 HG3 LYS A 23 11.076 2.696 -13.140 1.00 0.00 H new ATOM 0 HD2 LYS A 23 10.809 2.039 -15.362 1.00 0.00 H new ATOM 0 HD3 LYS A 23 10.074 3.630 -15.374 1.00 0.00 H new ATOM 0 HE2 LYS A 23 12.882 2.923 -16.312 1.00 0.00 H new ATOM 0 HE3 LYS A 23 11.523 3.364 -17.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 12.861 5.264 -17.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 11.528 5.560 -16.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 13.019 5.106 -15.449 1.00 0.00 H new ATOM 404 N LYS A 24 10.941 7.280 -11.614 1.00 0.00 N ATOM 405 CA LYS A 24 10.776 8.728 -11.565 1.00 0.00 C ATOM 406 C LYS A 24 11.604 9.350 -10.443 1.00 0.00 C ATOM 407 O LYS A 24 11.921 10.539 -10.480 1.00 0.00 O ATOM 408 CB LYS A 24 9.294 9.072 -11.432 1.00 0.00 C ATOM 409 CG LYS A 24 8.515 8.751 -12.699 1.00 0.00 C ATOM 410 CD LYS A 24 7.019 8.895 -12.506 1.00 0.00 C ATOM 411 CE LYS A 24 6.267 8.687 -13.811 1.00 0.00 C ATOM 412 NZ LYS A 24 6.546 9.770 -14.792 1.00 0.00 N ATOM 0 H LYS A 24 10.127 6.753 -11.299 1.00 0.00 H new ATOM 0 HA LYS A 24 11.148 9.154 -12.497 1.00 0.00 H new ATOM 0 HB2 LYS A 24 8.868 8.519 -10.595 1.00 0.00 H new ATOM 0 HB3 LYS A 24 9.188 10.132 -11.201 1.00 0.00 H new ATOM 0 HG2 LYS A 24 8.841 9.413 -13.501 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.742 7.733 -13.014 1.00 0.00 H new ATOM 0 HD2 LYS A 24 6.675 8.171 -11.767 1.00 0.00 H new ATOM 0 HD3 LYS A 24 6.796 9.886 -12.110 1.00 0.00 H new ATOM 0 HE2 LYS A 24 6.547 7.726 -14.242 1.00 0.00 H new ATOM 0 HE3 LYS A 24 5.196 8.646 -13.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 6.277 9.453 -15.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 5.996 10.616 -14.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 7.560 9.999 -14.777 1.00 0.00 H new ATOM 426 N ALA A 25 11.967 8.541 -9.458 1.00 0.00 N ATOM 427 CA ALA A 25 12.891 8.973 -8.423 1.00 0.00 C ATOM 428 C ALA A 25 14.293 9.088 -9.000 1.00 0.00 C ATOM 429 O ALA A 25 15.063 9.969 -8.623 1.00 0.00 O ATOM 430 CB ALA A 25 12.874 8.012 -7.245 1.00 0.00 C ATOM 0 H ALA A 25 11.635 7.582 -9.355 1.00 0.00 H new ATOM 0 HA ALA A 25 12.576 9.951 -8.060 1.00 0.00 H new ATOM 0 HB1 ALA A 25 13.574 8.357 -6.484 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.870 7.971 -6.823 1.00 0.00 H new ATOM 0 HB3 ALA A 25 13.166 7.018 -7.582 1.00 0.00 H new ATOM 436 N LYS A 26 14.610 8.195 -9.932 1.00 0.00 N ATOM 437 CA LYS A 26 15.885 8.240 -10.634 1.00 0.00 C ATOM 438 C LYS A 26 15.916 9.414 -11.604 1.00 0.00 C ATOM 439 O LYS A 26 16.983 9.935 -11.936 1.00 0.00 O ATOM 440 CB LYS A 26 16.136 6.941 -11.398 1.00 0.00 C ATOM 441 CG LYS A 26 16.246 5.710 -10.518 1.00 0.00 C ATOM 442 CD LYS A 26 16.621 4.491 -11.340 1.00 0.00 C ATOM 443 CE LYS A 26 16.772 3.250 -10.480 1.00 0.00 C ATOM 444 NZ LYS A 26 17.282 2.095 -11.268 1.00 0.00 N ATOM 0 H LYS A 26 13.999 7.430 -10.218 1.00 0.00 H new ATOM 0 HA LYS A 26 16.671 8.366 -9.889 1.00 0.00 H new ATOM 0 HB2 LYS A 26 15.327 6.791 -12.112 1.00 0.00 H new ATOM 0 HB3 LYS A 26 17.055 7.044 -11.975 1.00 0.00 H new ATOM 0 HG2 LYS A 26 16.995 5.877 -9.744 1.00 0.00 H new ATOM 0 HG3 LYS A 26 15.297 5.534 -10.011 1.00 0.00 H new ATOM 0 HD2 LYS A 26 15.858 4.316 -12.098 1.00 0.00 H new ATOM 0 HD3 LYS A 26 17.556 4.683 -11.867 1.00 0.00 H new ATOM 0 HE2 LYS A 26 17.455 3.459 -9.656 1.00 0.00 H new ATOM 0 HE3 LYS A 26 15.809 2.993 -10.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 17.373 1.265 -10.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 16.618 1.881 -12.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 18.212 2.331 -11.668 1.00 0.00 H new ATOM 458 N GLU A 27 14.741 9.809 -12.076 1.00 0.00 N ATOM 459 CA GLU A 27 14.619 10.984 -12.923 1.00 0.00 C ATOM 460 C GLU A 27 15.004 12.224 -12.132 1.00 0.00 C ATOM 461 O GLU A 27 15.679 13.116 -12.639 1.00 0.00 O ATOM 462 CB GLU A 27 13.194 11.124 -13.463 1.00 0.00 C ATOM 463 CG GLU A 27 12.706 9.906 -14.232 1.00 0.00 C ATOM 464 CD GLU A 27 13.634 9.516 -15.362 1.00 0.00 C ATOM 465 OE1 GLU A 27 13.605 10.181 -16.420 1.00 0.00 O ATOM 466 OE2 GLU A 27 14.394 8.546 -15.204 1.00 0.00 O ATOM 0 H GLU A 27 13.860 9.332 -11.886 1.00 0.00 H new ATOM 0 HA GLU A 27 15.292 10.872 -13.773 1.00 0.00 H new ATOM 0 HB2 GLU A 27 12.517 11.311 -12.630 1.00 0.00 H new ATOM 0 HB3 GLU A 27 13.147 11.996 -14.115 1.00 0.00 H new ATOM 0 HG2 GLU A 27 12.603 9.066 -13.546 1.00 0.00 H new ATOM 0 HG3 GLU A 27 11.715 10.110 -14.636 1.00 0.00 H new ATOM 473 N GLY A 28 14.579 12.261 -10.875 1.00 0.00 N ATOM 474 CA GLY A 28 14.948 13.349 -9.994 1.00 0.00 C ATOM 475 C GLY A 28 14.084 14.573 -10.193 1.00 0.00 C ATOM 476 O GLY A 28 14.553 15.702 -10.041 1.00 0.00 O ATOM 0 H GLY A 28 13.982 11.552 -10.450 1.00 0.00 H new ATOM 0 HA2 GLY A 28 14.869 13.017 -8.959 1.00 0.00 H new ATOM 0 HA3 GLY A 28 15.992 13.613 -10.165 1.00 0.00 H new ATOM 480 N ASP A 29 12.824 14.364 -10.539 1.00 0.00 N ATOM 481 CA ASP A 29 11.907 15.480 -10.707 1.00 0.00 C ATOM 482 C ASP A 29 10.943 15.556 -9.532 1.00 0.00 C ATOM 483 O ASP A 29 10.185 14.621 -9.268 1.00 0.00 O ATOM 484 CB ASP A 29 11.135 15.382 -12.021 1.00 0.00 C ATOM 485 CG ASP A 29 10.423 16.678 -12.341 1.00 0.00 C ATOM 486 OD1 ASP A 29 9.286 16.871 -11.871 1.00 0.00 O ATOM 487 OD2 ASP A 29 11.020 17.530 -13.035 1.00 0.00 O ATOM 0 H ASP A 29 12.416 13.444 -10.707 1.00 0.00 H new ATOM 0 HA ASP A 29 12.501 16.393 -10.739 1.00 0.00 H new ATOM 0 HB2 ASP A 29 11.821 15.133 -12.830 1.00 0.00 H new ATOM 0 HB3 ASP A 29 10.408 14.572 -11.958 1.00 0.00 H new ATOM 492 N GLU A 30 10.984 16.679 -8.837 1.00 0.00 N ATOM 493 CA GLU A 30 10.218 16.873 -7.615 1.00 0.00 C ATOM 494 C GLU A 30 8.748 17.150 -7.929 1.00 0.00 C ATOM 495 O GLU A 30 7.853 16.757 -7.177 1.00 0.00 O ATOM 496 CB GLU A 30 10.845 18.029 -6.835 1.00 0.00 C ATOM 497 CG GLU A 30 10.380 18.148 -5.400 1.00 0.00 C ATOM 498 CD GLU A 30 11.241 19.112 -4.616 1.00 0.00 C ATOM 499 OE1 GLU A 30 12.253 18.669 -4.036 1.00 0.00 O ATOM 500 OE2 GLU A 30 10.928 20.323 -4.596 1.00 0.00 O ATOM 0 H GLU A 30 11.550 17.485 -9.103 1.00 0.00 H new ATOM 0 HA GLU A 30 10.247 15.966 -7.011 1.00 0.00 H new ATOM 0 HB2 GLU A 30 11.928 17.910 -6.843 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.623 18.962 -7.353 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.344 18.485 -5.379 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.406 17.167 -4.926 1.00 0.00 H new ATOM 507 N GLN A 31 8.507 17.805 -9.056 1.00 0.00 N ATOM 508 CA GLN A 31 7.149 18.100 -9.499 1.00 0.00 C ATOM 509 C GLN A 31 6.438 16.803 -9.879 1.00 0.00 C ATOM 510 O GLN A 31 5.250 16.616 -9.598 1.00 0.00 O ATOM 511 CB GLN A 31 7.192 19.056 -10.692 1.00 0.00 C ATOM 512 CG GLN A 31 5.827 19.492 -11.192 1.00 0.00 C ATOM 513 CD GLN A 31 5.916 20.370 -12.423 1.00 0.00 C ATOM 514 OE1 GLN A 31 6.012 21.590 -12.322 1.00 0.00 O ATOM 515 NE2 GLN A 31 5.904 19.754 -13.593 1.00 0.00 N ATOM 0 H GLN A 31 9.236 18.144 -9.683 1.00 0.00 H new ATOM 0 HA GLN A 31 6.597 18.577 -8.689 1.00 0.00 H new ATOM 0 HB2 GLN A 31 7.764 19.941 -10.413 1.00 0.00 H new ATOM 0 HB3 GLN A 31 7.729 18.575 -11.509 1.00 0.00 H new ATOM 0 HG2 GLN A 31 5.228 18.610 -11.421 1.00 0.00 H new ATOM 0 HG3 GLN A 31 5.309 20.033 -10.400 1.00 0.00 H new ATOM 0 HE21 GLN A 31 5.823 18.738 -13.634 1.00 0.00 H new ATOM 0 HE22 GLN A 31 5.976 20.295 -14.455 1.00 0.00 H new ATOM 524 N GLU A 32 7.185 15.923 -10.532 1.00 0.00 N ATOM 525 CA GLU A 32 6.720 14.587 -10.866 1.00 0.00 C ATOM 526 C GLU A 32 6.390 13.814 -9.591 1.00 0.00 C ATOM 527 O GLU A 32 5.319 13.217 -9.468 1.00 0.00 O ATOM 528 CB GLU A 32 7.816 13.866 -11.652 1.00 0.00 C ATOM 529 CG GLU A 32 7.387 12.544 -12.260 1.00 0.00 C ATOM 530 CD GLU A 32 6.386 12.712 -13.381 1.00 0.00 C ATOM 531 OE1 GLU A 32 6.464 13.719 -14.117 1.00 0.00 O ATOM 532 OE2 GLU A 32 5.507 11.842 -13.532 1.00 0.00 O ATOM 0 H GLU A 32 8.136 16.119 -10.846 1.00 0.00 H new ATOM 0 HA GLU A 32 5.817 14.651 -11.472 1.00 0.00 H new ATOM 0 HB2 GLU A 32 8.165 14.522 -12.449 1.00 0.00 H new ATOM 0 HB3 GLU A 32 8.664 13.689 -10.990 1.00 0.00 H new ATOM 0 HG2 GLU A 32 8.265 12.021 -12.639 1.00 0.00 H new ATOM 0 HG3 GLU A 32 6.953 11.916 -11.482 1.00 0.00 H new ATOM 539 N LEU A 33 7.320 13.856 -8.642 1.00 0.00 N ATOM 540 CA LEU A 33 7.179 13.159 -7.367 1.00 0.00 C ATOM 541 C LEU A 33 5.920 13.586 -6.614 1.00 0.00 C ATOM 542 O LEU A 33 5.206 12.748 -6.057 1.00 0.00 O ATOM 543 CB LEU A 33 8.422 13.405 -6.503 1.00 0.00 C ATOM 544 CG LEU A 33 9.656 12.586 -6.891 1.00 0.00 C ATOM 545 CD1 LEU A 33 10.832 12.936 -5.990 1.00 0.00 C ATOM 546 CD2 LEU A 33 9.353 11.094 -6.819 1.00 0.00 C ATOM 0 H LEU A 33 8.193 14.374 -8.735 1.00 0.00 H new ATOM 0 HA LEU A 33 7.083 12.094 -7.579 1.00 0.00 H new ATOM 0 HB2 LEU A 33 8.677 14.464 -6.554 1.00 0.00 H new ATOM 0 HB3 LEU A 33 8.172 13.187 -5.465 1.00 0.00 H new ATOM 0 HG LEU A 33 9.923 12.832 -7.919 1.00 0.00 H new ATOM 0 HD11 LEU A 33 11.701 12.345 -6.280 1.00 0.00 H new ATOM 0 HD12 LEU A 33 11.065 13.996 -6.091 1.00 0.00 H new ATOM 0 HD13 LEU A 33 10.574 12.718 -4.954 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.242 10.528 -7.098 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.060 10.831 -5.803 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.540 10.854 -7.505 1.00 0.00 H new ATOM 558 N ALA A 34 5.646 14.885 -6.604 1.00 0.00 N ATOM 559 CA ALA A 34 4.480 15.418 -5.904 1.00 0.00 C ATOM 560 C ALA A 34 3.185 14.874 -6.492 1.00 0.00 C ATOM 561 O ALA A 34 2.248 14.545 -5.762 1.00 0.00 O ATOM 562 CB ALA A 34 4.487 16.939 -5.947 1.00 0.00 C ATOM 0 H ALA A 34 6.215 15.590 -7.072 1.00 0.00 H new ATOM 0 HA ALA A 34 4.535 15.095 -4.864 1.00 0.00 H new ATOM 0 HB1 ALA A 34 3.612 17.322 -5.421 1.00 0.00 H new ATOM 0 HB2 ALA A 34 5.391 17.312 -5.466 1.00 0.00 H new ATOM 0 HB3 ALA A 34 4.463 17.274 -6.984 1.00 0.00 H new ATOM 568 N ARG A 35 3.144 14.769 -7.813 1.00 0.00 N ATOM 569 CA ARG A 35 1.975 14.249 -8.503 1.00 0.00 C ATOM 570 C ARG A 35 1.763 12.778 -8.156 1.00 0.00 C ATOM 571 O ARG A 35 0.633 12.331 -7.952 1.00 0.00 O ATOM 572 CB ARG A 35 2.153 14.397 -10.009 1.00 0.00 C ATOM 573 CG ARG A 35 0.847 14.560 -10.762 1.00 0.00 C ATOM 574 CD ARG A 35 1.056 14.456 -12.264 1.00 0.00 C ATOM 575 NE ARG A 35 2.248 15.177 -12.703 1.00 0.00 N ATOM 576 CZ ARG A 35 3.315 14.581 -13.228 1.00 0.00 C ATOM 577 NH1 ARG A 35 3.302 13.271 -13.443 1.00 0.00 N ATOM 578 NH2 ARG A 35 4.386 15.293 -13.551 1.00 0.00 N ATOM 0 H ARG A 35 3.911 15.039 -8.429 1.00 0.00 H new ATOM 0 HA ARG A 35 1.102 14.817 -8.183 1.00 0.00 H new ATOM 0 HB2 ARG A 35 2.788 15.260 -10.208 1.00 0.00 H new ATOM 0 HB3 ARG A 35 2.677 13.521 -10.392 1.00 0.00 H new ATOM 0 HG2 ARG A 35 0.141 13.796 -10.438 1.00 0.00 H new ATOM 0 HG3 ARG A 35 0.404 15.526 -10.521 1.00 0.00 H new ATOM 0 HD2 ARG A 35 1.143 13.407 -12.546 1.00 0.00 H new ATOM 0 HD3 ARG A 35 0.182 14.853 -12.780 1.00 0.00 H new ATOM 0 HE ARG A 35 2.263 16.192 -12.602 1.00 0.00 H new ATOM 0 HH11 ARG A 35 2.475 12.723 -13.206 1.00 0.00 H new ATOM 0 HH12 ARG A 35 4.119 12.812 -13.846 1.00 0.00 H new ATOM 0 HH21 ARG A 35 4.394 16.301 -13.397 1.00 0.00 H new ATOM 0 HH22 ARG A 35 5.202 14.832 -13.953 1.00 0.00 H new ATOM 592 N LEU A 36 2.866 12.039 -8.092 1.00 0.00 N ATOM 593 CA LEU A 36 2.827 10.609 -7.790 1.00 0.00 C ATOM 594 C LEU A 36 2.285 10.355 -6.392 1.00 0.00 C ATOM 595 O LEU A 36 1.433 9.490 -6.198 1.00 0.00 O ATOM 596 CB LEU A 36 4.228 10.004 -7.897 1.00 0.00 C ATOM 597 CG LEU A 36 4.879 10.093 -9.274 1.00 0.00 C ATOM 598 CD1 LEU A 36 6.309 9.583 -9.209 1.00 0.00 C ATOM 599 CD2 LEU A 36 4.074 9.305 -10.296 1.00 0.00 C ATOM 0 H LEU A 36 3.804 12.408 -8.246 1.00 0.00 H new ATOM 0 HA LEU A 36 2.164 10.139 -8.517 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.876 10.502 -7.175 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.175 8.955 -7.607 1.00 0.00 H new ATOM 0 HG LEU A 36 4.896 11.137 -9.587 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.765 9.651 -10.197 1.00 0.00 H new ATOM 0 HD12 LEU A 36 6.879 10.188 -8.504 1.00 0.00 H new ATOM 0 HD13 LEU A 36 6.310 8.544 -8.879 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.553 9.380 -11.272 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.027 8.259 -9.994 1.00 0.00 H new ATOM 0 HD23 LEU A 36 3.064 9.711 -10.355 1.00 0.00 H new ATOM 611 N ASN A 37 2.779 11.127 -5.428 1.00 0.00 N ATOM 612 CA ASN A 37 2.408 10.956 -4.024 1.00 0.00 C ATOM 613 C ASN A 37 0.895 11.052 -3.848 1.00 0.00 C ATOM 614 O ASN A 37 0.289 10.251 -3.133 1.00 0.00 O ATOM 615 CB ASN A 37 3.103 12.016 -3.165 1.00 0.00 C ATOM 616 CG ASN A 37 3.058 11.700 -1.679 1.00 0.00 C ATOM 617 OD1 ASN A 37 2.161 11.023 -1.194 1.00 0.00 O ATOM 618 ND2 ASN A 37 4.035 12.196 -0.943 1.00 0.00 N ATOM 0 H ASN A 37 3.443 11.883 -5.594 1.00 0.00 H new ATOM 0 HA ASN A 37 2.730 9.966 -3.702 1.00 0.00 H new ATOM 0 HB2 ASN A 37 4.143 12.107 -3.480 1.00 0.00 H new ATOM 0 HB3 ASN A 37 2.632 12.983 -3.339 1.00 0.00 H new ATOM 0 HD21 ASN A 37 4.057 12.019 0.061 1.00 0.00 H new ATOM 0 HD22 ASN A 37 4.768 12.756 -1.379 1.00 0.00 H new ATOM 625 N GLN A 38 0.293 12.016 -4.538 1.00 0.00 N ATOM 626 CA GLN A 38 -1.140 12.239 -4.482 1.00 0.00 C ATOM 627 C GLN A 38 -1.891 10.960 -4.854 1.00 0.00 C ATOM 628 O GLN A 38 -2.783 10.513 -4.133 1.00 0.00 O ATOM 629 CB GLN A 38 -1.481 13.361 -5.461 1.00 0.00 C ATOM 630 CG GLN A 38 -2.677 14.214 -5.087 1.00 0.00 C ATOM 631 CD GLN A 38 -3.992 13.460 -5.131 1.00 0.00 C ATOM 632 OE1 GLN A 38 -4.455 12.937 -4.121 1.00 0.00 O ATOM 633 NE2 GLN A 38 -4.594 13.386 -6.309 1.00 0.00 N ATOM 0 H GLN A 38 0.789 12.663 -5.151 1.00 0.00 H new ATOM 0 HA GLN A 38 -1.439 12.519 -3.472 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -0.611 14.010 -5.560 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -1.663 12.921 -6.441 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -2.529 14.614 -4.084 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -2.732 15.066 -5.765 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -4.176 13.835 -7.124 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -5.475 12.881 -6.401 1.00 0.00 H new ATOM 642 N GLU A 39 -1.489 10.351 -5.962 1.00 0.00 N ATOM 643 CA GLU A 39 -2.141 9.147 -6.457 1.00 0.00 C ATOM 644 C GLU A 39 -1.946 7.975 -5.500 1.00 0.00 C ATOM 645 O GLU A 39 -2.811 7.102 -5.390 1.00 0.00 O ATOM 646 CB GLU A 39 -1.609 8.791 -7.844 1.00 0.00 C ATOM 647 CG GLU A 39 -1.853 9.875 -8.881 1.00 0.00 C ATOM 648 CD GLU A 39 -3.328 10.160 -9.092 1.00 0.00 C ATOM 649 OE1 GLU A 39 -3.948 9.492 -9.944 1.00 0.00 O ATOM 650 OE2 GLU A 39 -3.869 11.063 -8.425 1.00 0.00 O ATOM 0 H GLU A 39 -0.711 10.674 -6.537 1.00 0.00 H new ATOM 0 HA GLU A 39 -3.210 9.349 -6.526 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -0.538 8.598 -7.776 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -2.079 7.866 -8.179 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -1.351 10.791 -8.569 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.406 9.573 -9.828 1.00 0.00 H new ATOM 657 N ILE A 40 -0.807 7.953 -4.814 1.00 0.00 N ATOM 658 CA ILE A 40 -0.514 6.897 -3.855 1.00 0.00 C ATOM 659 C ILE A 40 -1.474 6.967 -2.674 1.00 0.00 C ATOM 660 O ILE A 40 -2.046 5.954 -2.267 1.00 0.00 O ATOM 661 CB ILE A 40 0.939 6.982 -3.339 1.00 0.00 C ATOM 662 CG1 ILE A 40 1.922 6.880 -4.508 1.00 0.00 C ATOM 663 CG2 ILE A 40 1.207 5.886 -2.316 1.00 0.00 C ATOM 664 CD1 ILE A 40 3.371 7.036 -4.106 1.00 0.00 C ATOM 0 H ILE A 40 -0.073 8.655 -4.906 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.640 5.947 -4.374 1.00 0.00 H new ATOM 0 HB ILE A 40 1.080 7.946 -2.851 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.792 5.914 -4.995 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.675 7.644 -5.245 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.236 5.961 -1.963 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.525 6.000 -1.473 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.052 4.911 -2.778 1.00 0.00 H new ATOM 0 HD11 ILE A 40 4.005 6.952 -4.989 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.518 8.013 -3.646 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.637 6.256 -3.393 1.00 0.00 H new ATOM 676 N VAL A 41 -1.661 8.172 -2.142 1.00 0.00 N ATOM 677 CA VAL A 41 -2.569 8.381 -1.017 1.00 0.00 C ATOM 678 C VAL A 41 -3.978 7.913 -1.377 1.00 0.00 C ATOM 679 O VAL A 41 -4.663 7.283 -0.568 1.00 0.00 O ATOM 680 CB VAL A 41 -2.612 9.867 -0.591 1.00 0.00 C ATOM 681 CG1 VAL A 41 -3.558 10.071 0.584 1.00 0.00 C ATOM 682 CG2 VAL A 41 -1.218 10.363 -0.237 1.00 0.00 C ATOM 0 H VAL A 41 -1.196 9.018 -2.471 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.192 7.794 -0.179 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.985 10.447 -1.435 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.569 11.125 0.863 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.563 9.760 0.300 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.220 9.475 1.431 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.269 11.410 0.060 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.820 9.771 0.587 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.565 10.263 -1.104 1.00 0.00 H new ATOM 692 N LYS A 42 -4.394 8.213 -2.608 1.00 0.00 N ATOM 693 CA LYS A 42 -5.703 7.801 -3.105 1.00 0.00 C ATOM 694 C LYS A 42 -5.830 6.280 -3.094 1.00 0.00 C ATOM 695 O LYS A 42 -6.857 5.738 -2.692 1.00 0.00 O ATOM 696 CB LYS A 42 -5.917 8.319 -4.533 1.00 0.00 C ATOM 697 CG LYS A 42 -5.749 9.822 -4.678 1.00 0.00 C ATOM 698 CD LYS A 42 -6.860 10.599 -3.991 1.00 0.00 C ATOM 699 CE LYS A 42 -8.185 10.445 -4.721 1.00 0.00 C ATOM 700 NZ LYS A 42 -9.214 11.383 -4.200 1.00 0.00 N ATOM 0 H LYS A 42 -3.839 8.742 -3.280 1.00 0.00 H new ATOM 0 HA LYS A 42 -6.462 8.225 -2.448 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -5.213 7.819 -5.199 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -6.919 8.042 -4.862 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.788 10.119 -4.258 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -5.728 10.082 -5.736 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -6.967 10.250 -2.964 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -6.591 11.654 -3.943 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -8.036 10.623 -5.786 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -8.541 9.420 -4.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -10.103 11.248 -4.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -9.374 11.196 -3.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -8.885 12.362 -4.323 1.00 0.00 H new ATOM 714 N ALA A 43 -4.771 5.603 -3.521 1.00 0.00 N ATOM 715 CA ALA A 43 -4.770 4.147 -3.606 1.00 0.00 C ATOM 716 C ALA A 43 -4.774 3.514 -2.220 1.00 0.00 C ATOM 717 O ALA A 43 -5.550 2.597 -1.950 1.00 0.00 O ATOM 718 CB ALA A 43 -3.566 3.668 -4.402 1.00 0.00 C ATOM 0 H ALA A 43 -3.898 6.041 -3.815 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.680 3.838 -4.119 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.577 2.580 -4.458 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -3.607 4.084 -5.409 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.651 3.997 -3.910 1.00 0.00 H new ATOM 724 N GLU A 44 -3.909 4.015 -1.343 1.00 0.00 N ATOM 725 CA GLU A 44 -3.811 3.503 0.020 1.00 0.00 C ATOM 726 C GLU A 44 -5.141 3.652 0.757 1.00 0.00 C ATOM 727 O GLU A 44 -5.601 2.721 1.417 1.00 0.00 O ATOM 728 CB GLU A 44 -2.702 4.230 0.784 1.00 0.00 C ATOM 729 CG GLU A 44 -1.302 3.969 0.248 1.00 0.00 C ATOM 730 CD GLU A 44 -0.810 2.564 0.533 1.00 0.00 C ATOM 731 OE1 GLU A 44 -1.027 1.664 -0.283 1.00 0.00 O ATOM 732 OE2 GLU A 44 -0.177 2.347 1.589 1.00 0.00 O ATOM 0 H GLU A 44 -3.264 4.777 -1.553 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.566 2.442 -0.035 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.897 5.302 0.753 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.740 3.929 1.831 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.294 4.139 -0.829 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.610 4.687 0.690 1.00 0.00 H new ATOM 739 N LYS A 45 -5.768 4.820 0.628 1.00 0.00 N ATOM 740 CA LYS A 45 -7.051 5.075 1.284 1.00 0.00 C ATOM 741 C LYS A 45 -8.165 4.226 0.683 1.00 0.00 C ATOM 742 O LYS A 45 -9.100 3.832 1.383 1.00 0.00 O ATOM 743 CB LYS A 45 -7.416 6.561 1.228 1.00 0.00 C ATOM 744 CG LYS A 45 -6.718 7.394 2.288 1.00 0.00 C ATOM 745 CD LYS A 45 -7.078 6.895 3.676 1.00 0.00 C ATOM 746 CE LYS A 45 -6.413 7.712 4.774 1.00 0.00 C ATOM 747 NZ LYS A 45 -6.766 7.204 6.126 1.00 0.00 N ATOM 0 H LYS A 45 -5.411 5.602 0.078 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.941 4.790 2.330 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.162 6.953 0.243 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.494 6.667 1.345 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.638 7.345 2.146 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -7.006 8.440 2.185 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -8.160 6.932 3.804 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.781 5.851 3.773 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -5.331 7.683 4.645 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.716 8.755 4.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.205 7.706 6.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.778 7.364 6.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.562 6.185 6.178 1.00 0.00 H new ATOM 761 N GLN A 46 -8.059 3.941 -0.610 1.00 0.00 N ATOM 762 CA GLN A 46 -8.987 3.030 -1.270 1.00 0.00 C ATOM 763 C GLN A 46 -8.901 1.665 -0.602 1.00 0.00 C ATOM 764 O GLN A 46 -9.917 1.025 -0.317 1.00 0.00 O ATOM 765 CB GLN A 46 -8.645 2.917 -2.759 1.00 0.00 C ATOM 766 CG GLN A 46 -9.520 1.942 -3.535 1.00 0.00 C ATOM 767 CD GLN A 46 -10.991 2.320 -3.530 1.00 0.00 C ATOM 768 OE1 GLN A 46 -11.345 3.495 -3.442 1.00 0.00 O ATOM 769 NE2 GLN A 46 -11.860 1.325 -3.635 1.00 0.00 N ATOM 0 H GLN A 46 -7.340 4.327 -1.222 1.00 0.00 H new ATOM 0 HA GLN A 46 -10.003 3.414 -1.181 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -8.730 3.904 -3.214 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -7.604 2.609 -2.858 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -9.169 1.890 -4.566 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -9.407 0.945 -3.109 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -11.528 0.363 -3.706 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -12.861 1.521 -3.645 1.00 0.00 H new ATOM 778 N GLY A 47 -7.674 1.243 -0.333 1.00 0.00 N ATOM 779 CA GLY A 47 -7.452 0.013 0.395 1.00 0.00 C ATOM 780 C GLY A 47 -8.028 0.070 1.795 1.00 0.00 C ATOM 781 O GLY A 47 -8.721 -0.849 2.220 1.00 0.00 O ATOM 0 H GLY A 47 -6.824 1.735 -0.608 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.903 -0.817 -0.149 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.382 -0.187 0.451 1.00 0.00 H new ATOM 785 N VAL A 48 -7.762 1.164 2.503 1.00 0.00 N ATOM 786 CA VAL A 48 -8.262 1.342 3.866 1.00 0.00 C ATOM 787 C VAL A 48 -9.780 1.170 3.927 1.00 0.00 C ATOM 788 O VAL A 48 -10.305 0.524 4.839 1.00 0.00 O ATOM 789 CB VAL A 48 -7.884 2.728 4.435 1.00 0.00 C ATOM 790 CG1 VAL A 48 -8.476 2.928 5.826 1.00 0.00 C ATOM 791 CG2 VAL A 48 -6.374 2.888 4.471 1.00 0.00 C ATOM 0 H VAL A 48 -7.202 1.943 2.156 1.00 0.00 H new ATOM 0 HA VAL A 48 -7.789 0.571 4.475 1.00 0.00 H new ATOM 0 HB VAL A 48 -8.302 3.492 3.779 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -8.195 3.911 6.203 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -9.562 2.857 5.773 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -8.095 2.159 6.498 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -6.122 3.869 4.874 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.941 2.113 5.104 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -5.974 2.797 3.461 1.00 0.00 H new ATOM 801 N LYS A 49 -10.477 1.730 2.942 1.00 0.00 N ATOM 802 CA LYS A 49 -11.931 1.645 2.893 1.00 0.00 C ATOM 803 C LYS A 49 -12.395 0.192 2.827 1.00 0.00 C ATOM 804 O LYS A 49 -13.229 -0.242 3.628 1.00 0.00 O ATOM 805 CB LYS A 49 -12.475 2.405 1.682 1.00 0.00 C ATOM 806 CG LYS A 49 -13.982 2.279 1.527 1.00 0.00 C ATOM 807 CD LYS A 49 -14.480 2.911 0.239 1.00 0.00 C ATOM 808 CE LYS A 49 -15.976 2.691 0.066 1.00 0.00 C ATOM 809 NZ LYS A 49 -16.753 3.285 1.187 1.00 0.00 N ATOM 0 H LYS A 49 -10.058 2.246 2.169 1.00 0.00 H new ATOM 0 HA LYS A 49 -12.317 2.097 3.807 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -12.212 3.459 1.774 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -11.990 2.033 0.779 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -14.261 1.225 1.544 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -14.474 2.753 2.376 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -14.265 3.979 0.247 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -13.946 2.484 -0.610 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -16.302 3.131 -0.876 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -16.182 1.622 0.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -17.763 3.297 0.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -16.613 2.716 2.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -16.427 4.257 1.359 1.00 0.00 H new ATOM 823 N VAL A 50 -11.839 -0.566 1.885 1.00 0.00 N ATOM 824 CA VAL A 50 -12.231 -1.953 1.707 1.00 0.00 C ATOM 825 C VAL A 50 -11.742 -2.826 2.862 1.00 0.00 C ATOM 826 O VAL A 50 -12.387 -3.808 3.215 1.00 0.00 O ATOM 827 CB VAL A 50 -11.759 -2.532 0.353 1.00 0.00 C ATOM 828 CG1 VAL A 50 -12.449 -1.813 -0.797 1.00 0.00 C ATOM 829 CG2 VAL A 50 -10.247 -2.454 0.200 1.00 0.00 C ATOM 0 H VAL A 50 -11.120 -0.241 1.239 1.00 0.00 H new ATOM 0 HA VAL A 50 -13.321 -1.964 1.704 1.00 0.00 H new ATOM 0 HB VAL A 50 -12.035 -3.586 0.330 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -12.108 -2.230 -1.744 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -13.528 -1.942 -0.712 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -12.206 -0.751 -0.760 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -9.957 -2.871 -0.764 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -9.929 -1.413 0.256 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -9.771 -3.022 0.999 1.00 0.00 H new ATOM 839 N TYR A 51 -10.611 -2.456 3.460 1.00 0.00 N ATOM 840 CA TYR A 51 -10.066 -3.205 4.588 1.00 0.00 C ATOM 841 C TYR A 51 -10.932 -3.042 5.824 1.00 0.00 C ATOM 842 O TYR A 51 -11.124 -3.994 6.575 1.00 0.00 O ATOM 843 CB TYR A 51 -8.623 -2.793 4.886 1.00 0.00 C ATOM 844 CG TYR A 51 -7.652 -3.256 3.829 1.00 0.00 C ATOM 845 CD1 TYR A 51 -7.863 -4.452 3.158 1.00 0.00 C ATOM 846 CD2 TYR A 51 -6.543 -2.494 3.482 1.00 0.00 C ATOM 847 CE1 TYR A 51 -6.999 -4.881 2.178 1.00 0.00 C ATOM 848 CE2 TYR A 51 -5.675 -2.917 2.494 1.00 0.00 C ATOM 849 CZ TYR A 51 -5.909 -4.112 1.848 1.00 0.00 C ATOM 850 OH TYR A 51 -5.059 -4.536 0.863 1.00 0.00 O ATOM 0 H TYR A 51 -10.057 -1.646 3.183 1.00 0.00 H new ATOM 0 HA TYR A 51 -10.065 -4.259 4.308 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -8.570 -1.708 4.971 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -8.325 -3.203 5.851 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -8.721 -5.057 3.410 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -6.357 -1.560 3.991 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -7.176 -5.818 1.670 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -4.818 -2.315 2.229 1.00 0.00 H new ATOM 0 HH TYR A 51 -5.579 -4.816 0.081 1.00 0.00 H new ATOM 860 N LYS A 52 -11.465 -1.848 6.040 1.00 0.00 N ATOM 861 CA LYS A 52 -12.368 -1.633 7.159 1.00 0.00 C ATOM 862 C LYS A 52 -13.687 -2.356 6.897 1.00 0.00 C ATOM 863 O LYS A 52 -14.288 -2.929 7.805 1.00 0.00 O ATOM 864 CB LYS A 52 -12.613 -0.142 7.392 1.00 0.00 C ATOM 865 CG LYS A 52 -13.297 0.144 8.720 1.00 0.00 C ATOM 866 CD LYS A 52 -13.503 1.632 8.939 1.00 0.00 C ATOM 867 CE LYS A 52 -14.067 1.908 10.325 1.00 0.00 C ATOM 868 NZ LYS A 52 -14.378 3.347 10.527 1.00 0.00 N ATOM 0 H LYS A 52 -11.291 -1.025 5.464 1.00 0.00 H new ATOM 0 HA LYS A 52 -11.907 -2.037 8.060 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -11.661 0.387 7.358 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -13.226 0.252 6.581 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -14.261 -0.365 8.749 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -12.697 -0.263 9.533 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -12.555 2.155 8.818 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -14.182 2.024 8.182 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -14.972 1.318 10.471 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -13.350 1.584 11.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -14.759 3.489 11.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -13.510 3.909 10.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -15.082 3.652 9.825 1.00 0.00 H new ATOM 882 N GLU A 53 -14.115 -2.340 5.638 1.00 0.00 N ATOM 883 CA GLU A 53 -15.313 -3.060 5.221 1.00 0.00 C ATOM 884 C GLU A 53 -15.116 -4.564 5.424 1.00 0.00 C ATOM 885 O GLU A 53 -16.042 -5.281 5.809 1.00 0.00 O ATOM 886 CB GLU A 53 -15.623 -2.765 3.748 1.00 0.00 C ATOM 887 CG GLU A 53 -16.969 -3.298 3.282 1.00 0.00 C ATOM 888 CD GLU A 53 -18.132 -2.558 3.913 1.00 0.00 C ATOM 889 OE1 GLU A 53 -18.490 -2.872 5.066 1.00 0.00 O ATOM 890 OE2 GLU A 53 -18.693 -1.656 3.260 1.00 0.00 O ATOM 0 H GLU A 53 -13.647 -1.834 4.886 1.00 0.00 H new ATOM 0 HA GLU A 53 -16.153 -2.726 5.830 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -15.596 -1.687 3.590 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -14.838 -3.198 3.128 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -17.034 -3.215 2.197 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -17.041 -4.358 3.525 1.00 0.00 H new ATOM 897 N ALA A 54 -13.904 -5.033 5.154 1.00 0.00 N ATOM 898 CA ALA A 54 -13.551 -6.433 5.359 1.00 0.00 C ATOM 899 C ALA A 54 -13.437 -6.757 6.845 1.00 0.00 C ATOM 900 O ALA A 54 -13.908 -7.795 7.294 1.00 0.00 O ATOM 901 CB ALA A 54 -12.249 -6.763 4.643 1.00 0.00 C ATOM 0 H ALA A 54 -13.143 -4.459 4.790 1.00 0.00 H new ATOM 0 HA ALA A 54 -14.347 -7.047 4.939 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -12.000 -7.812 4.806 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -12.365 -6.579 3.575 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -11.449 -6.135 5.035 1.00 0.00 H new ATOM 907 N ALA A 55 -12.819 -5.857 7.603 1.00 0.00 N ATOM 908 CA ALA A 55 -12.632 -6.051 9.038 1.00 0.00 C ATOM 909 C ALA A 55 -13.971 -6.171 9.761 1.00 0.00 C ATOM 910 O ALA A 55 -14.125 -6.987 10.672 1.00 0.00 O ATOM 911 CB ALA A 55 -11.813 -4.910 9.628 1.00 0.00 C ATOM 0 H ALA A 55 -12.437 -4.981 7.246 1.00 0.00 H new ATOM 0 HA ALA A 55 -12.088 -6.985 9.180 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -11.683 -5.071 10.698 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -10.836 -4.876 9.145 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -12.333 -3.966 9.463 1.00 0.00 H new ATOM 917 N GLU A 56 -14.939 -5.363 9.345 1.00 0.00 N ATOM 918 CA GLU A 56 -16.271 -5.400 9.934 1.00 0.00 C ATOM 919 C GLU A 56 -17.116 -6.514 9.319 1.00 0.00 C ATOM 920 O GLU A 56 -18.269 -6.714 9.699 1.00 0.00 O ATOM 921 CB GLU A 56 -16.969 -4.048 9.765 1.00 0.00 C ATOM 922 CG GLU A 56 -16.305 -2.918 10.537 1.00 0.00 C ATOM 923 CD GLU A 56 -16.158 -3.240 12.010 1.00 0.00 C ATOM 924 OE1 GLU A 56 -17.150 -3.676 12.627 1.00 0.00 O ATOM 925 OE2 GLU A 56 -15.053 -3.060 12.561 1.00 0.00 O ATOM 0 H GLU A 56 -14.826 -4.674 8.602 1.00 0.00 H new ATOM 0 HA GLU A 56 -16.161 -5.608 10.998 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -16.990 -3.790 8.706 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -18.005 -4.140 10.092 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -15.322 -2.718 10.111 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -16.893 -2.008 10.423 1.00 0.00 H new ATOM 932 N LYS A 57 -16.533 -7.243 8.377 1.00 0.00 N ATOM 933 CA LYS A 57 -17.214 -8.363 7.743 1.00 0.00 C ATOM 934 C LYS A 57 -16.467 -9.657 8.054 1.00 0.00 C ATOM 935 O LYS A 57 -16.806 -10.727 7.550 1.00 0.00 O ATOM 936 CB LYS A 57 -17.283 -8.160 6.223 1.00 0.00 C ATOM 937 CG LYS A 57 -18.332 -9.019 5.531 1.00 0.00 C ATOM 938 CD LYS A 57 -18.175 -9.027 4.012 1.00 0.00 C ATOM 939 CE LYS A 57 -18.225 -7.632 3.399 1.00 0.00 C ATOM 940 NZ LYS A 57 -16.884 -6.984 3.362 1.00 0.00 N ATOM 0 H LYS A 57 -15.587 -7.078 8.034 1.00 0.00 H new ATOM 0 HA LYS A 57 -18.230 -8.423 8.134 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -17.493 -7.111 6.016 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -16.306 -8.380 5.793 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -18.264 -10.041 5.905 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -19.325 -8.651 5.788 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -17.226 -9.497 3.753 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -18.964 -9.638 3.574 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -18.623 -7.696 2.386 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -18.912 -7.009 3.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -16.839 -6.324 2.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -16.726 -6.463 4.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -16.149 -7.712 3.253 1.00 0.00 H new ATOM 954 N ALA A 58 -15.455 -9.545 8.899 1.00 0.00 N ATOM 955 CA ALA A 58 -14.585 -10.668 9.203 1.00 0.00 C ATOM 956 C ALA A 58 -15.302 -11.718 10.037 1.00 0.00 C ATOM 957 O ALA A 58 -16.186 -11.402 10.834 1.00 0.00 O ATOM 958 CB ALA A 58 -13.339 -10.187 9.924 1.00 0.00 C ATOM 0 H ALA A 58 -15.216 -8.683 9.389 1.00 0.00 H new ATOM 0 HA ALA A 58 -14.296 -11.131 8.259 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -12.696 -11.038 10.146 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -12.802 -9.481 9.290 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -13.624 -9.695 10.854 1.00 0.00 H new ATOM 964 N ARG A 59 -14.915 -12.966 9.835 1.00 0.00 N ATOM 965 CA ARG A 59 -15.469 -14.076 10.588 1.00 0.00 C ATOM 966 C ARG A 59 -14.417 -14.608 11.549 1.00 0.00 C ATOM 967 O ARG A 59 -13.359 -15.061 11.115 1.00 0.00 O ATOM 968 CB ARG A 59 -15.928 -15.183 9.636 1.00 0.00 C ATOM 969 CG ARG A 59 -16.987 -14.729 8.646 1.00 0.00 C ATOM 970 CD ARG A 59 -17.307 -15.810 7.629 1.00 0.00 C ATOM 971 NE ARG A 59 -18.331 -15.384 6.674 1.00 0.00 N ATOM 972 CZ ARG A 59 -18.229 -15.544 5.354 1.00 0.00 C ATOM 973 NH1 ARG A 59 -17.135 -16.080 4.829 1.00 0.00 N ATOM 974 NH2 ARG A 59 -19.217 -15.162 4.557 1.00 0.00 N ATOM 0 H ARG A 59 -14.211 -13.237 9.148 1.00 0.00 H new ATOM 0 HA ARG A 59 -16.333 -13.732 11.157 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -15.065 -15.560 9.086 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -16.321 -16.015 10.221 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -17.895 -14.456 9.184 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -16.641 -13.834 8.129 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -16.399 -16.079 7.090 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -17.647 -16.706 8.148 1.00 0.00 H new ATOM 0 HE ARG A 59 -19.172 -14.938 7.040 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -16.368 -16.371 5.435 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -17.061 -16.201 3.819 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -20.059 -14.744 4.953 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -19.135 -15.286 3.548 1.00 0.00 H new ATOM 988 N ASN A 60 -14.718 -14.540 12.845 1.00 0.00 N ATOM 989 CA ASN A 60 -13.788 -14.933 13.910 1.00 0.00 C ATOM 990 C ASN A 60 -12.678 -13.892 14.066 1.00 0.00 C ATOM 991 O ASN A 60 -12.134 -13.388 13.079 1.00 0.00 O ATOM 992 CB ASN A 60 -13.182 -16.327 13.670 1.00 0.00 C ATOM 993 CG ASN A 60 -14.228 -17.424 13.628 1.00 0.00 C ATOM 994 OD1 ASN A 60 -14.622 -17.966 14.662 1.00 0.00 O ATOM 995 ND2 ASN A 60 -14.671 -17.769 12.430 1.00 0.00 N ATOM 0 H ASN A 60 -15.619 -14.209 13.191 1.00 0.00 H new ATOM 0 HA ASN A 60 -14.364 -14.983 14.834 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -12.630 -16.321 12.730 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -12.464 -16.547 14.460 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -15.366 -18.510 12.337 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -14.318 -17.294 11.599 1.00 0.00 H new ATOM 1002 N PRO A 61 -12.323 -13.565 15.320 1.00 0.00 N ATOM 1003 CA PRO A 61 -11.342 -12.515 15.634 1.00 0.00 C ATOM 1004 C PRO A 61 -9.985 -12.739 14.971 1.00 0.00 C ATOM 1005 O PRO A 61 -9.288 -11.782 14.632 1.00 0.00 O ATOM 1006 CB PRO A 61 -11.200 -12.587 17.161 1.00 0.00 C ATOM 1007 CG PRO A 61 -11.787 -13.901 17.551 1.00 0.00 C ATOM 1008 CD PRO A 61 -12.851 -14.194 16.538 1.00 0.00 C ATOM 0 HA PRO A 61 -11.678 -11.546 15.264 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -10.155 -12.519 17.462 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -11.725 -11.763 17.644 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -11.027 -14.682 17.556 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -12.206 -13.858 18.556 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -13.001 -15.266 16.407 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -13.813 -13.771 16.828 1.00 0.00 H new ATOM 1016 N GLU A 62 -9.619 -14.001 14.782 1.00 0.00 N ATOM 1017 CA GLU A 62 -8.323 -14.347 14.205 1.00 0.00 C ATOM 1018 C GLU A 62 -8.183 -13.804 12.786 1.00 0.00 C ATOM 1019 O GLU A 62 -7.138 -13.270 12.414 1.00 0.00 O ATOM 1020 CB GLU A 62 -8.133 -15.860 14.196 1.00 0.00 C ATOM 1021 CG GLU A 62 -8.325 -16.505 15.554 1.00 0.00 C ATOM 1022 CD GLU A 62 -8.029 -17.987 15.533 1.00 0.00 C ATOM 1023 OE1 GLU A 62 -8.548 -18.686 14.638 1.00 0.00 O ATOM 1024 OE2 GLU A 62 -7.279 -18.465 16.411 1.00 0.00 O ATOM 0 H GLU A 62 -10.201 -14.804 15.020 1.00 0.00 H new ATOM 0 HA GLU A 62 -7.553 -13.889 14.825 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -8.837 -16.302 13.491 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.131 -16.090 13.833 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -7.675 -16.017 16.280 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -9.351 -16.346 15.887 1.00 0.00 H new ATOM 1031 N LYS A 63 -9.246 -13.925 12.000 1.00 0.00 N ATOM 1032 CA LYS A 63 -9.219 -13.467 10.617 1.00 0.00 C ATOM 1033 C LYS A 63 -9.190 -11.946 10.571 1.00 0.00 C ATOM 1034 O LYS A 63 -8.539 -11.351 9.709 1.00 0.00 O ATOM 1035 CB LYS A 63 -10.429 -14.004 9.845 1.00 0.00 C ATOM 1036 CG LYS A 63 -10.545 -15.521 9.861 1.00 0.00 C ATOM 1037 CD LYS A 63 -9.293 -16.189 9.319 1.00 0.00 C ATOM 1038 CE LYS A 63 -9.412 -17.707 9.339 1.00 0.00 C ATOM 1039 NZ LYS A 63 -10.466 -18.198 8.413 1.00 0.00 N ATOM 0 H LYS A 63 -10.133 -14.334 12.295 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.316 -13.850 10.142 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -11.337 -13.575 10.268 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -10.368 -13.665 8.811 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -10.726 -15.861 10.881 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -11.406 -15.826 9.266 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -9.113 -15.851 8.298 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -8.431 -15.883 9.913 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.454 -18.149 9.064 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -9.637 -18.039 10.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -10.400 -19.233 8.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -11.402 -17.939 8.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -10.334 -17.766 7.476 1.00 0.00 H new ATOM 1053 N ARG A 64 -9.883 -11.317 11.517 1.00 0.00 N ATOM 1054 CA ARG A 64 -9.881 -9.867 11.607 1.00 0.00 C ATOM 1055 C ARG A 64 -8.494 -9.362 11.987 1.00 0.00 C ATOM 1056 O ARG A 64 -8.051 -8.340 11.487 1.00 0.00 O ATOM 1057 CB ARG A 64 -10.912 -9.361 12.621 1.00 0.00 C ATOM 1058 CG ARG A 64 -10.875 -7.850 12.773 1.00 0.00 C ATOM 1059 CD ARG A 64 -11.878 -7.331 13.786 1.00 0.00 C ATOM 1060 NE ARG A 64 -11.666 -5.909 14.039 1.00 0.00 N ATOM 1061 CZ ARG A 64 -12.540 -4.953 13.736 1.00 0.00 C ATOM 1062 NH1 ARG A 64 -13.720 -5.258 13.217 1.00 0.00 N ATOM 1063 NH2 ARG A 64 -12.229 -3.682 13.947 1.00 0.00 N ATOM 0 H ARG A 64 -10.447 -11.787 12.225 1.00 0.00 H new ATOM 0 HA ARG A 64 -10.153 -9.478 10.626 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -11.909 -9.668 12.306 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -10.726 -9.826 13.589 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -9.873 -7.545 13.074 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -11.072 -7.388 11.806 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -12.891 -7.493 13.418 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -11.784 -7.889 14.717 1.00 0.00 H new ATOM 0 HE ARG A 64 -10.789 -5.630 14.478 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -13.965 -6.233 13.046 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -14.383 -4.518 12.988 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -11.320 -3.438 14.341 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -12.898 -2.948 13.715 1.00 0.00 H new ATOM 1077 N GLN A 65 -7.815 -10.094 12.864 1.00 0.00 N ATOM 1078 CA GLN A 65 -6.480 -9.738 13.316 1.00 0.00 C ATOM 1079 C GLN A 65 -5.529 -9.583 12.132 1.00 0.00 C ATOM 1080 O GLN A 65 -4.722 -8.652 12.088 1.00 0.00 O ATOM 1081 CB GLN A 65 -5.993 -10.823 14.278 1.00 0.00 C ATOM 1082 CG GLN A 65 -4.748 -10.470 15.063 1.00 0.00 C ATOM 1083 CD GLN A 65 -3.477 -11.012 14.439 1.00 0.00 C ATOM 1084 OE1 GLN A 65 -2.820 -10.339 13.645 1.00 0.00 O ATOM 1085 NE2 GLN A 65 -3.126 -12.241 14.785 1.00 0.00 N ATOM 0 H GLN A 65 -8.178 -10.952 13.280 1.00 0.00 H new ATOM 0 HA GLN A 65 -6.506 -8.778 13.831 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -6.795 -11.051 14.980 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -5.800 -11.732 13.709 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -4.672 -9.386 15.144 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -4.842 -10.859 16.077 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -3.697 -12.767 15.447 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -2.285 -12.661 14.390 1.00 0.00 H new ATOM 1094 N VAL A 66 -5.654 -10.487 11.166 1.00 0.00 N ATOM 1095 CA VAL A 66 -4.847 -10.441 9.955 1.00 0.00 C ATOM 1096 C VAL A 66 -5.118 -9.159 9.161 1.00 0.00 C ATOM 1097 O VAL A 66 -4.191 -8.436 8.792 1.00 0.00 O ATOM 1098 CB VAL A 66 -5.119 -11.671 9.060 1.00 0.00 C ATOM 1099 CG1 VAL A 66 -4.301 -11.604 7.780 1.00 0.00 C ATOM 1100 CG2 VAL A 66 -4.820 -12.959 9.817 1.00 0.00 C ATOM 0 H VAL A 66 -6.312 -11.265 11.201 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.801 -10.452 10.261 1.00 0.00 H new ATOM 0 HB VAL A 66 -6.175 -11.665 8.788 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.511 -12.481 7.168 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -4.565 -10.703 7.226 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.240 -11.579 8.027 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.017 -13.815 9.171 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.773 -12.968 10.121 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -5.455 -13.017 10.701 1.00 0.00 H new ATOM 1110 N ILE A 67 -6.394 -8.878 8.920 1.00 0.00 N ATOM 1111 CA ILE A 67 -6.795 -7.692 8.165 1.00 0.00 C ATOM 1112 C ILE A 67 -6.470 -6.414 8.942 1.00 0.00 C ATOM 1113 O ILE A 67 -6.050 -5.411 8.364 1.00 0.00 O ATOM 1114 CB ILE A 67 -8.307 -7.717 7.848 1.00 0.00 C ATOM 1115 CG1 ILE A 67 -8.682 -9.023 7.142 1.00 0.00 C ATOM 1116 CG2 ILE A 67 -8.699 -6.516 6.993 1.00 0.00 C ATOM 1117 CD1 ILE A 67 -10.171 -9.192 6.921 1.00 0.00 C ATOM 0 H ILE A 67 -7.172 -9.456 9.237 1.00 0.00 H new ATOM 0 HA ILE A 67 -6.234 -7.701 7.231 1.00 0.00 H new ATOM 0 HB ILE A 67 -8.856 -7.660 8.788 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -8.174 -9.063 6.178 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -8.314 -9.863 7.732 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -9.768 -6.553 6.781 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -8.467 -5.596 7.530 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -8.143 -6.539 6.056 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -10.359 -10.140 6.416 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -10.685 -9.185 7.882 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -10.543 -8.373 6.305 1.00 0.00 H new ATOM 1129 N ASP A 68 -6.666 -6.475 10.253 1.00 0.00 N ATOM 1130 CA ASP A 68 -6.408 -5.350 11.148 1.00 0.00 C ATOM 1131 C ASP A 68 -4.960 -4.883 11.029 1.00 0.00 C ATOM 1132 O ASP A 68 -4.689 -3.685 10.929 1.00 0.00 O ATOM 1133 CB ASP A 68 -6.721 -5.764 12.592 1.00 0.00 C ATOM 1134 CG ASP A 68 -6.470 -4.661 13.597 1.00 0.00 C ATOM 1135 OD1 ASP A 68 -7.396 -3.864 13.855 1.00 0.00 O ATOM 1136 OD2 ASP A 68 -5.356 -4.607 14.152 1.00 0.00 O ATOM 0 H ASP A 68 -7.010 -7.309 10.729 1.00 0.00 H new ATOM 0 HA ASP A 68 -7.052 -4.518 10.864 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -7.764 -6.074 12.656 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.114 -6.630 12.854 1.00 0.00 H new ATOM 1141 N LYS A 69 -4.038 -5.840 11.007 1.00 0.00 N ATOM 1142 CA LYS A 69 -2.618 -5.534 10.868 1.00 0.00 C ATOM 1143 C LYS A 69 -2.356 -4.791 9.561 1.00 0.00 C ATOM 1144 O LYS A 69 -1.598 -3.821 9.531 1.00 0.00 O ATOM 1145 CB LYS A 69 -1.780 -6.824 10.935 1.00 0.00 C ATOM 1146 CG LYS A 69 -0.266 -6.606 10.885 1.00 0.00 C ATOM 1147 CD LYS A 69 0.259 -6.495 9.455 1.00 0.00 C ATOM 1148 CE LYS A 69 1.736 -6.130 9.425 1.00 0.00 C ATOM 1149 NZ LYS A 69 2.278 -6.126 8.039 1.00 0.00 N ATOM 0 H LYS A 69 -4.249 -6.835 11.084 1.00 0.00 H new ATOM 0 HA LYS A 69 -2.322 -4.888 11.695 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -2.027 -7.354 11.855 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -2.068 -7.472 10.107 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -0.014 -5.698 11.433 1.00 0.00 H new ATOM 0 HG3 LYS A 69 0.234 -7.432 11.390 1.00 0.00 H new ATOM 0 HD2 LYS A 69 0.107 -7.442 8.937 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -0.313 -5.741 8.915 1.00 0.00 H new ATOM 0 HE2 LYS A 69 1.876 -5.146 9.873 1.00 0.00 H new ATOM 0 HE3 LYS A 69 2.298 -6.839 10.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 3.133 -6.716 7.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 1.564 -6.507 7.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 2.516 -5.152 7.762 1.00 0.00 H new ATOM 1163 N ILE A 70 -2.989 -5.247 8.486 1.00 0.00 N ATOM 1164 CA ILE A 70 -2.817 -4.632 7.177 1.00 0.00 C ATOM 1165 C ILE A 70 -3.356 -3.202 7.178 1.00 0.00 C ATOM 1166 O ILE A 70 -2.696 -2.281 6.699 1.00 0.00 O ATOM 1167 CB ILE A 70 -3.516 -5.455 6.073 1.00 0.00 C ATOM 1168 CG1 ILE A 70 -2.946 -6.878 6.037 1.00 0.00 C ATOM 1169 CG2 ILE A 70 -3.354 -4.777 4.718 1.00 0.00 C ATOM 1170 CD1 ILE A 70 -3.596 -7.768 5.002 1.00 0.00 C ATOM 0 H ILE A 70 -3.627 -6.043 8.496 1.00 0.00 H new ATOM 0 HA ILE A 70 -1.748 -4.609 6.963 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.581 -5.512 6.299 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -1.876 -6.826 5.838 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -3.065 -7.333 7.020 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.853 -5.371 3.952 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.799 -3.783 4.753 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -2.294 -4.692 4.478 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -3.141 -8.758 5.036 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -4.662 -7.851 5.212 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -3.454 -7.337 4.011 1.00 0.00 H new ATOM 1182 N LEU A 71 -4.540 -3.023 7.751 1.00 0.00 N ATOM 1183 CA LEU A 71 -5.175 -1.712 7.819 1.00 0.00 C ATOM 1184 C LEU A 71 -4.298 -0.740 8.611 1.00 0.00 C ATOM 1185 O LEU A 71 -4.020 0.371 8.155 1.00 0.00 O ATOM 1186 CB LEU A 71 -6.567 -1.841 8.464 1.00 0.00 C ATOM 1187 CG LEU A 71 -7.560 -0.704 8.174 1.00 0.00 C ATOM 1188 CD1 LEU A 71 -8.961 -1.118 8.593 1.00 0.00 C ATOM 1189 CD2 LEU A 71 -7.168 0.575 8.902 1.00 0.00 C ATOM 0 H LEU A 71 -5.083 -3.774 8.178 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.293 -1.318 6.810 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -7.013 -2.778 8.131 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -6.438 -1.916 9.544 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.539 -0.508 7.102 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -9.658 -0.306 8.384 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.260 -2.006 8.036 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.971 -1.339 9.660 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.891 1.359 8.675 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.155 0.393 9.977 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -6.177 0.890 8.576 1.00 0.00 H new ATOM 1201 N GLU A 72 -3.851 -1.177 9.782 1.00 0.00 N ATOM 1202 CA GLU A 72 -2.980 -0.364 10.624 1.00 0.00 C ATOM 1203 C GLU A 72 -1.673 -0.043 9.906 1.00 0.00 C ATOM 1204 O GLU A 72 -1.117 1.046 10.055 1.00 0.00 O ATOM 1205 CB GLU A 72 -2.689 -1.097 11.934 1.00 0.00 C ATOM 1206 CG GLU A 72 -3.871 -1.152 12.889 1.00 0.00 C ATOM 1207 CD GLU A 72 -4.170 0.193 13.518 1.00 0.00 C ATOM 1208 OE1 GLU A 72 -3.234 0.800 14.079 1.00 0.00 O ATOM 1209 OE2 GLU A 72 -5.336 0.639 13.475 1.00 0.00 O ATOM 0 H GLU A 72 -4.078 -2.092 10.171 1.00 0.00 H new ATOM 0 HA GLU A 72 -3.491 0.574 10.841 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -2.372 -2.115 11.706 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -1.854 -0.607 12.434 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -4.752 -1.502 12.352 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -3.666 -1.880 13.674 1.00 0.00 H new ATOM 1216 N ASP A 73 -1.188 -1.001 9.129 1.00 0.00 N ATOM 1217 CA ASP A 73 0.051 -0.829 8.383 1.00 0.00 C ATOM 1218 C ASP A 73 -0.109 0.249 7.313 1.00 0.00 C ATOM 1219 O ASP A 73 0.751 1.118 7.161 1.00 0.00 O ATOM 1220 CB ASP A 73 0.454 -2.145 7.719 1.00 0.00 C ATOM 1221 CG ASP A 73 1.911 -2.185 7.310 1.00 0.00 C ATOM 1222 OD1 ASP A 73 2.576 -1.158 7.233 1.00 0.00 O ATOM 1223 OD2 ASP A 73 2.434 -3.246 6.969 1.00 0.00 O ATOM 0 H ASP A 73 -1.635 -1.908 8.998 1.00 0.00 H new ATOM 0 HA ASP A 73 0.828 -0.522 9.083 1.00 0.00 H new ATOM 0 HB2 ASP A 73 0.253 -2.967 8.406 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -0.168 -2.306 6.839 1.00 0.00 H new ATOM 1228 N GLU A 74 -1.217 0.188 6.578 1.00 0.00 N ATOM 1229 CA GLU A 74 -1.467 1.128 5.489 1.00 0.00 C ATOM 1230 C GLU A 74 -1.526 2.567 5.996 1.00 0.00 C ATOM 1231 O GLU A 74 -1.007 3.473 5.348 1.00 0.00 O ATOM 1232 CB GLU A 74 -2.759 0.786 4.744 1.00 0.00 C ATOM 1233 CG GLU A 74 -2.760 -0.583 4.070 1.00 0.00 C ATOM 1234 CD GLU A 74 -1.559 -0.823 3.167 1.00 0.00 C ATOM 1235 OE1 GLU A 74 -1.003 0.154 2.602 1.00 0.00 O ATOM 1236 OE2 GLU A 74 -1.158 -2.005 3.009 1.00 0.00 O ATOM 0 H GLU A 74 -1.955 -0.502 6.717 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.631 1.040 4.795 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -3.591 0.831 5.447 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -2.939 1.549 3.987 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -2.786 -1.356 4.838 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -3.672 -0.688 3.482 1.00 0.00 H new ATOM 1243 N GLU A 75 -2.136 2.781 7.162 1.00 0.00 N ATOM 1244 CA GLU A 75 -2.209 4.118 7.742 1.00 0.00 C ATOM 1245 C GLU A 75 -0.815 4.661 8.037 1.00 0.00 C ATOM 1246 O GLU A 75 -0.560 5.859 7.895 1.00 0.00 O ATOM 1247 CB GLU A 75 -3.046 4.118 9.022 1.00 0.00 C ATOM 1248 CG GLU A 75 -4.548 4.015 8.786 1.00 0.00 C ATOM 1249 CD GLU A 75 -5.054 5.008 7.754 1.00 0.00 C ATOM 1250 OE1 GLU A 75 -4.369 6.017 7.491 1.00 0.00 O ATOM 1251 OE2 GLU A 75 -6.108 4.745 7.147 1.00 0.00 O ATOM 0 H GLU A 75 -2.582 2.051 7.718 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.691 4.766 7.010 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -2.730 3.284 9.649 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -2.839 5.032 9.578 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.791 3.004 8.459 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -5.071 4.180 9.728 1.00 0.00 H new ATOM 1258 N LYS A 76 0.083 3.771 8.437 1.00 0.00 N ATOM 1259 CA LYS A 76 1.466 4.144 8.690 1.00 0.00 C ATOM 1260 C LYS A 76 2.156 4.516 7.378 1.00 0.00 C ATOM 1261 O LYS A 76 3.020 5.393 7.347 1.00 0.00 O ATOM 1262 CB LYS A 76 2.198 3.000 9.404 1.00 0.00 C ATOM 1263 CG LYS A 76 3.670 3.269 9.684 1.00 0.00 C ATOM 1264 CD LYS A 76 4.569 2.594 8.656 1.00 0.00 C ATOM 1265 CE LYS A 76 4.462 1.082 8.735 1.00 0.00 C ATOM 1266 NZ LYS A 76 5.242 0.410 7.664 1.00 0.00 N ATOM 0 H LYS A 76 -0.123 2.784 8.593 1.00 0.00 H new ATOM 0 HA LYS A 76 1.492 5.017 9.342 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.693 2.796 10.348 1.00 0.00 H new ATOM 0 HB3 LYS A 76 2.116 2.098 8.797 1.00 0.00 H new ATOM 0 HG2 LYS A 76 3.852 4.344 9.677 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.923 2.909 10.681 1.00 0.00 H new ATOM 0 HD2 LYS A 76 4.295 2.928 7.655 1.00 0.00 H new ATOM 0 HD3 LYS A 76 5.603 2.896 8.821 1.00 0.00 H new ATOM 0 HE2 LYS A 76 4.818 0.744 9.708 1.00 0.00 H new ATOM 0 HE3 LYS A 76 3.415 0.789 8.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 4.657 -0.325 7.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 5.524 1.110 6.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 6.092 -0.026 8.075 1.00 0.00 H new ATOM 1280 N HIS A 77 1.763 3.846 6.298 1.00 0.00 N ATOM 1281 CA HIS A 77 2.301 4.144 4.973 1.00 0.00 C ATOM 1282 C HIS A 77 1.890 5.547 4.544 1.00 0.00 C ATOM 1283 O HIS A 77 2.715 6.353 4.112 1.00 0.00 O ATOM 1284 CB HIS A 77 1.776 3.163 3.924 1.00 0.00 C ATOM 1285 CG HIS A 77 2.106 1.727 4.169 1.00 0.00 C ATOM 1286 ND1 HIS A 77 1.443 0.686 3.557 1.00 0.00 N ATOM 1287 CD2 HIS A 77 3.053 1.161 4.957 1.00 0.00 C ATOM 1288 CE1 HIS A 77 1.989 -0.456 3.988 1.00 0.00 C ATOM 1289 NE2 HIS A 77 2.975 -0.228 4.839 1.00 0.00 N ATOM 0 H HIS A 77 1.074 3.094 6.314 1.00 0.00 H new ATOM 0 HA HIS A 77 3.386 4.061 5.040 1.00 0.00 H new ATOM 0 HB2 HIS A 77 0.692 3.265 3.866 1.00 0.00 H new ATOM 0 HB3 HIS A 77 2.175 3.449 2.951 1.00 0.00 H new ATOM 0 HD2 HIS A 77 3.755 1.699 5.577 1.00 0.00 H new ATOM 0 HE1 HIS A 77 1.666 -1.439 3.680 1.00 0.00 H new ATOM 1296 N ILE A 78 0.596 5.821 4.681 1.00 0.00 N ATOM 1297 CA ILE A 78 0.020 7.100 4.285 1.00 0.00 C ATOM 1298 C ILE A 78 0.615 8.229 5.114 1.00 0.00 C ATOM 1299 O ILE A 78 0.891 9.310 4.596 1.00 0.00 O ATOM 1300 CB ILE A 78 -1.514 7.097 4.457 1.00 0.00 C ATOM 1301 CG1 ILE A 78 -2.115 5.885 3.749 1.00 0.00 C ATOM 1302 CG2 ILE A 78 -2.119 8.383 3.906 1.00 0.00 C ATOM 1303 CD1 ILE A 78 -3.588 5.686 4.023 1.00 0.00 C ATOM 0 H ILE A 78 -0.081 5.164 5.069 1.00 0.00 H new ATOM 0 HA ILE A 78 0.256 7.256 3.232 1.00 0.00 H new ATOM 0 HB ILE A 78 -1.745 7.038 5.521 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -1.966 5.993 2.675 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -1.574 4.991 4.057 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -3.201 8.361 4.037 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -1.706 9.238 4.441 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -1.883 8.471 2.845 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -3.942 4.806 3.486 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -3.743 5.545 5.093 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -4.142 6.563 3.688 1.00 0.00 H new ATOM 1315 N GLU A 79 0.829 7.954 6.397 1.00 0.00 N ATOM 1316 CA GLU A 79 1.399 8.932 7.318 1.00 0.00 C ATOM 1317 C GLU A 79 2.755 9.421 6.807 1.00 0.00 C ATOM 1318 O GLU A 79 3.074 10.607 6.898 1.00 0.00 O ATOM 1319 CB GLU A 79 1.554 8.324 8.713 1.00 0.00 C ATOM 1320 CG GLU A 79 1.539 9.351 9.833 1.00 0.00 C ATOM 1321 CD GLU A 79 0.178 9.994 10.006 1.00 0.00 C ATOM 1322 OE1 GLU A 79 -0.106 10.995 9.317 1.00 0.00 O ATOM 1323 OE2 GLU A 79 -0.619 9.498 10.831 1.00 0.00 O ATOM 0 H GLU A 79 0.614 7.054 6.825 1.00 0.00 H new ATOM 0 HA GLU A 79 0.720 9.782 7.379 1.00 0.00 H new ATOM 0 HB2 GLU A 79 0.750 7.607 8.879 1.00 0.00 H new ATOM 0 HB3 GLU A 79 2.490 7.768 8.755 1.00 0.00 H new ATOM 0 HG2 GLU A 79 1.833 8.871 10.767 1.00 0.00 H new ATOM 0 HG3 GLU A 79 2.279 10.123 9.625 1.00 0.00 H new ATOM 1330 N TRP A 80 3.546 8.497 6.261 1.00 0.00 N ATOM 1331 CA TRP A 80 4.822 8.849 5.653 1.00 0.00 C ATOM 1332 C TRP A 80 4.604 9.733 4.431 1.00 0.00 C ATOM 1333 O TRP A 80 5.189 10.811 4.326 1.00 0.00 O ATOM 1334 CB TRP A 80 5.602 7.590 5.254 1.00 0.00 C ATOM 1335 CG TRP A 80 6.722 7.851 4.286 1.00 0.00 C ATOM 1336 CD1 TRP A 80 6.927 7.209 3.104 1.00 0.00 C ATOM 1337 CD2 TRP A 80 7.777 8.826 4.405 1.00 0.00 C ATOM 1338 NE1 TRP A 80 8.038 7.716 2.475 1.00 0.00 N ATOM 1339 CE2 TRP A 80 8.578 8.708 3.253 1.00 0.00 C ATOM 1340 CE3 TRP A 80 8.118 9.786 5.366 1.00 0.00 C ATOM 1341 CZ2 TRP A 80 9.698 9.511 3.038 1.00 0.00 C ATOM 1342 CZ3 TRP A 80 9.233 10.579 5.151 1.00 0.00 C ATOM 1343 CH2 TRP A 80 10.011 10.436 3.995 1.00 0.00 C ATOM 0 H TRP A 80 3.323 7.502 6.229 1.00 0.00 H new ATOM 0 HA TRP A 80 5.406 9.401 6.390 1.00 0.00 H new ATOM 0 HB2 TRP A 80 6.011 7.128 6.152 1.00 0.00 H new ATOM 0 HB3 TRP A 80 4.912 6.871 4.812 1.00 0.00 H new ATOM 0 HD1 TRP A 80 6.306 6.415 2.716 1.00 0.00 H new ATOM 0 HE1 TRP A 80 8.403 7.405 1.575 1.00 0.00 H new ATOM 0 HE3 TRP A 80 7.522 9.906 6.259 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 10.298 9.406 2.146 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 9.507 11.320 5.887 1.00 0.00 H new ATOM 0 HH2 TRP A 80 10.875 11.069 3.857 1.00 0.00 H new ATOM 1354 N HIS A 81 3.753 9.277 3.521 1.00 0.00 N ATOM 1355 CA HIS A 81 3.524 9.982 2.268 1.00 0.00 C ATOM 1356 C HIS A 81 3.070 11.425 2.484 1.00 0.00 C ATOM 1357 O HIS A 81 3.419 12.305 1.698 1.00 0.00 O ATOM 1358 CB HIS A 81 2.529 9.216 1.394 1.00 0.00 C ATOM 1359 CG HIS A 81 3.173 8.078 0.651 1.00 0.00 C ATOM 1360 ND1 HIS A 81 3.917 8.242 -0.498 1.00 0.00 N ATOM 1361 CD2 HIS A 81 3.218 6.749 0.936 1.00 0.00 C ATOM 1362 CE1 HIS A 81 4.384 7.043 -0.863 1.00 0.00 C ATOM 1363 NE2 HIS A 81 3.990 6.103 -0.027 1.00 0.00 N ATOM 0 H HIS A 81 3.209 8.421 3.628 1.00 0.00 H new ATOM 0 HA HIS A 81 4.480 10.031 1.747 1.00 0.00 H new ATOM 0 HB2 HIS A 81 1.724 8.829 2.019 1.00 0.00 H new ATOM 0 HB3 HIS A 81 2.075 9.902 0.679 1.00 0.00 H new ATOM 0 HD2 HIS A 81 2.733 6.271 1.774 1.00 0.00 H new ATOM 0 HE1 HIS A 81 5.003 6.868 -1.730 1.00 0.00 H new ATOM 0 HE2 HIS A 81 4.206 5.107 -0.075 1.00 0.00 H new ATOM 1371 N LYS A 82 2.322 11.675 3.553 1.00 0.00 N ATOM 1372 CA LYS A 82 1.893 13.035 3.872 1.00 0.00 C ATOM 1373 C LYS A 82 3.103 13.924 4.133 1.00 0.00 C ATOM 1374 O LYS A 82 3.217 15.025 3.590 1.00 0.00 O ATOM 1375 CB LYS A 82 1.008 13.048 5.117 1.00 0.00 C ATOM 1376 CG LYS A 82 -0.164 12.091 5.061 1.00 0.00 C ATOM 1377 CD LYS A 82 -0.879 12.046 6.397 1.00 0.00 C ATOM 1378 CE LYS A 82 -1.825 10.864 6.492 1.00 0.00 C ATOM 1379 NZ LYS A 82 -2.404 10.733 7.853 1.00 0.00 N ATOM 0 H LYS A 82 2.002 10.962 4.209 1.00 0.00 H new ATOM 0 HA LYS A 82 1.328 13.411 3.019 1.00 0.00 H new ATOM 0 HB2 LYS A 82 1.620 12.804 5.985 1.00 0.00 H new ATOM 0 HB3 LYS A 82 0.629 14.059 5.268 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -0.858 12.403 4.281 1.00 0.00 H new ATOM 0 HG3 LYS A 82 0.186 11.093 4.796 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -0.144 11.989 7.200 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -1.438 12.971 6.541 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -2.628 10.981 5.764 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -1.292 9.949 6.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -2.744 9.760 7.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -1.676 10.951 8.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -3.199 11.396 7.957 1.00 0.00 H new ATOM 1393 N ALA A 83 4.010 13.425 4.966 1.00 0.00 N ATOM 1394 CA ALA A 83 5.196 14.173 5.366 1.00 0.00 C ATOM 1395 C ALA A 83 6.195 14.287 4.222 1.00 0.00 C ATOM 1396 O ALA A 83 6.919 15.278 4.108 1.00 0.00 O ATOM 1397 CB ALA A 83 5.852 13.512 6.568 1.00 0.00 C ATOM 0 H ALA A 83 3.944 12.496 5.381 1.00 0.00 H new ATOM 0 HA ALA A 83 4.880 15.180 5.637 1.00 0.00 H new ATOM 0 HB1 ALA A 83 6.736 14.079 6.858 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.148 13.488 7.400 1.00 0.00 H new ATOM 0 HB3 ALA A 83 6.143 12.494 6.310 1.00 0.00 H new ATOM 1403 N ALA A 84 6.216 13.262 3.381 1.00 0.00 N ATOM 1404 CA ALA A 84 7.190 13.152 2.305 1.00 0.00 C ATOM 1405 C ALA A 84 7.152 14.343 1.350 1.00 0.00 C ATOM 1406 O ALA A 84 8.183 14.964 1.083 1.00 0.00 O ATOM 1407 CB ALA A 84 6.969 11.860 1.536 1.00 0.00 C ATOM 0 H ALA A 84 5.558 12.484 3.426 1.00 0.00 H new ATOM 0 HA ALA A 84 8.178 13.146 2.766 1.00 0.00 H new ATOM 0 HB1 ALA A 84 7.702 11.785 0.732 1.00 0.00 H new ATOM 0 HB2 ALA A 84 7.082 11.011 2.211 1.00 0.00 H new ATOM 0 HB3 ALA A 84 5.965 11.856 1.113 1.00 0.00 H new ATOM 1413 N SER A 85 5.978 14.671 0.838 1.00 0.00 N ATOM 1414 CA SER A 85 5.882 15.695 -0.189 1.00 0.00 C ATOM 1415 C SER A 85 5.464 17.058 0.358 1.00 0.00 C ATOM 1416 O SER A 85 4.434 17.611 -0.033 1.00 0.00 O ATOM 1417 CB SER A 85 4.939 15.253 -1.306 1.00 0.00 C ATOM 1418 OG SER A 85 5.501 14.175 -2.041 1.00 0.00 O ATOM 0 H SER A 85 5.090 14.251 1.111 1.00 0.00 H new ATOM 0 HA SER A 85 6.886 15.818 -0.595 1.00 0.00 H new ATOM 0 HB2 SER A 85 3.982 14.950 -0.882 1.00 0.00 H new ATOM 0 HB3 SER A 85 4.741 16.091 -1.974 1.00 0.00 H new ATOM 0 HG SER A 85 4.962 14.010 -2.843 1.00 0.00 H new ATOM 1424 N LYS A 86 6.265 17.594 1.270 1.00 0.00 N ATOM 1425 CA LYS A 86 6.204 19.017 1.569 1.00 0.00 C ATOM 1426 C LYS A 86 6.755 19.749 0.358 1.00 0.00 C ATOM 1427 O LYS A 86 6.174 20.709 -0.149 1.00 0.00 O ATOM 1428 CB LYS A 86 7.037 19.354 2.807 1.00 0.00 C ATOM 1429 CG LYS A 86 6.457 18.821 4.104 1.00 0.00 C ATOM 1430 CD LYS A 86 7.377 19.105 5.278 1.00 0.00 C ATOM 1431 CE LYS A 86 6.712 18.777 6.606 1.00 0.00 C ATOM 1432 NZ LYS A 86 6.247 17.370 6.675 1.00 0.00 N ATOM 0 H LYS A 86 6.956 17.072 1.809 1.00 0.00 H new ATOM 0 HA LYS A 86 5.177 19.315 1.779 1.00 0.00 H new ATOM 0 HB2 LYS A 86 8.041 18.951 2.677 1.00 0.00 H new ATOM 0 HB3 LYS A 86 7.135 20.437 2.883 1.00 0.00 H new ATOM 0 HG2 LYS A 86 5.483 19.277 4.284 1.00 0.00 H new ATOM 0 HG3 LYS A 86 6.295 17.747 4.018 1.00 0.00 H new ATOM 0 HD2 LYS A 86 8.291 18.520 5.174 1.00 0.00 H new ATOM 0 HD3 LYS A 86 7.668 20.155 5.266 1.00 0.00 H new ATOM 0 HE2 LYS A 86 7.416 18.964 7.417 1.00 0.00 H new ATOM 0 HE3 LYS A 86 5.864 19.445 6.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 6.484 16.971 7.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 5.217 17.338 6.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 6.714 16.813 5.931 1.00 0.00 H new ATOM 1446 N GLN A 87 7.896 19.251 -0.092 1.00 0.00 N ATOM 1447 CA GLN A 87 8.482 19.630 -1.362 1.00 0.00 C ATOM 1448 C GLN A 87 8.940 18.359 -2.063 1.00 0.00 C ATOM 1449 O GLN A 87 8.325 17.898 -3.023 1.00 0.00 O ATOM 1450 CB GLN A 87 9.677 20.569 -1.166 1.00 0.00 C ATOM 1451 CG GLN A 87 9.362 21.833 -0.386 1.00 0.00 C ATOM 1452 CD GLN A 87 10.572 22.730 -0.251 1.00 0.00 C ATOM 1453 OE1 GLN A 87 11.435 22.764 -1.130 1.00 0.00 O ATOM 1454 NE2 GLN A 87 10.657 23.446 0.855 1.00 0.00 N ATOM 0 H GLN A 87 8.446 18.564 0.423 1.00 0.00 H new ATOM 0 HA GLN A 87 7.740 20.161 -1.959 1.00 0.00 H new ATOM 0 HB2 GLN A 87 10.469 20.026 -0.650 1.00 0.00 H new ATOM 0 HB3 GLN A 87 10.068 20.849 -2.144 1.00 0.00 H new ATOM 0 HG2 GLN A 87 8.561 22.377 -0.886 1.00 0.00 H new ATOM 0 HG3 GLN A 87 8.996 21.566 0.605 1.00 0.00 H new ATOM 0 HE21 GLN A 87 9.920 23.388 1.558 1.00 0.00 H new ATOM 0 HE22 GLN A 87 11.460 24.057 1.007 1.00 0.00 H new ATOM 1463 N GLY A 88 10.002 17.777 -1.529 1.00 0.00 N ATOM 1464 CA GLY A 88 10.537 16.542 -2.051 1.00 0.00 C ATOM 1465 C GLY A 88 11.880 16.239 -1.428 1.00 0.00 C ATOM 1466 O GLY A 88 12.733 17.117 -1.348 1.00 0.00 O ATOM 0 H GLY A 88 10.510 18.149 -0.727 1.00 0.00 H new ATOM 0 HA2 GLY A 88 9.844 15.725 -1.849 1.00 0.00 H new ATOM 0 HA3 GLY A 88 10.640 16.613 -3.134 1.00 0.00 H new ATOM 1470 N ASN A 89 12.064 15.016 -0.953 1.00 0.00 N ATOM 1471 CA ASN A 89 13.322 14.633 -0.312 1.00 0.00 C ATOM 1472 C ASN A 89 14.101 13.644 -1.169 1.00 0.00 C ATOM 1473 O ASN A 89 15.100 13.081 -0.724 1.00 0.00 O ATOM 1474 CB ASN A 89 13.068 14.044 1.080 1.00 0.00 C ATOM 1475 CG ASN A 89 12.620 15.090 2.084 1.00 0.00 C ATOM 1476 OD1 ASN A 89 11.426 15.325 2.266 1.00 0.00 O ATOM 1477 ND2 ASN A 89 13.575 15.724 2.745 1.00 0.00 N ATOM 0 H ASN A 89 11.366 14.273 -0.997 1.00 0.00 H new ATOM 0 HA ASN A 89 13.923 15.536 -0.204 1.00 0.00 H new ATOM 0 HB2 ASN A 89 12.308 13.266 1.008 1.00 0.00 H new ATOM 0 HB3 ASN A 89 13.979 13.567 1.440 1.00 0.00 H new ATOM 0 HD21 ASN A 89 13.332 16.436 3.434 1.00 0.00 H new ATOM 0 HD22 ASN A 89 14.554 15.501 2.566 1.00 0.00 H new ATOM 1484 N ALA A 90 13.620 13.450 -2.398 1.00 0.00 N ATOM 1485 CA ALA A 90 14.261 12.593 -3.400 1.00 0.00 C ATOM 1486 C ALA A 90 14.710 11.240 -2.840 1.00 0.00 C ATOM 1487 O ALA A 90 13.916 10.302 -2.755 1.00 0.00 O ATOM 1488 CB ALA A 90 15.430 13.321 -4.052 1.00 0.00 C ATOM 0 H ALA A 90 12.762 13.890 -2.731 1.00 0.00 H new ATOM 0 HA ALA A 90 13.505 12.376 -4.154 1.00 0.00 H new ATOM 0 HB1 ALA A 90 15.895 12.671 -4.793 1.00 0.00 H new ATOM 0 HB2 ALA A 90 15.069 14.227 -4.539 1.00 0.00 H new ATOM 0 HB3 ALA A 90 16.164 13.586 -3.291 1.00 0.00 H new ATOM 1494 N GLU A 91 15.976 11.158 -2.433 1.00 0.00 N ATOM 1495 CA GLU A 91 16.575 9.902 -1.991 1.00 0.00 C ATOM 1496 C GLU A 91 15.928 9.391 -0.707 1.00 0.00 C ATOM 1497 O GLU A 91 15.660 8.197 -0.575 1.00 0.00 O ATOM 1498 CB GLU A 91 18.084 10.072 -1.799 1.00 0.00 C ATOM 1499 CG GLU A 91 18.463 11.206 -0.859 1.00 0.00 C ATOM 1500 CD GLU A 91 19.959 11.331 -0.685 1.00 0.00 C ATOM 1501 OE1 GLU A 91 20.525 10.612 0.166 1.00 0.00 O ATOM 1502 OE2 GLU A 91 20.579 12.138 -1.404 1.00 0.00 O ATOM 0 H GLU A 91 16.611 11.956 -2.401 1.00 0.00 H new ATOM 0 HA GLU A 91 16.398 9.158 -2.768 1.00 0.00 H new ATOM 0 HB2 GLU A 91 18.498 9.140 -1.414 1.00 0.00 H new ATOM 0 HB3 GLU A 91 18.546 10.249 -2.770 1.00 0.00 H new ATOM 0 HG2 GLU A 91 18.065 12.144 -1.246 1.00 0.00 H new ATOM 0 HG3 GLU A 91 17.999 11.040 0.113 1.00 0.00 H new ATOM 1509 N GLN A 92 15.658 10.299 0.225 1.00 0.00 N ATOM 1510 CA GLN A 92 15.049 9.931 1.500 1.00 0.00 C ATOM 1511 C GLN A 92 13.663 9.352 1.259 1.00 0.00 C ATOM 1512 O GLN A 92 13.221 8.429 1.942 1.00 0.00 O ATOM 1513 CB GLN A 92 14.954 11.154 2.414 1.00 0.00 C ATOM 1514 CG GLN A 92 16.271 11.901 2.564 1.00 0.00 C ATOM 1515 CD GLN A 92 16.153 13.138 3.437 1.00 0.00 C ATOM 1516 OE1 GLN A 92 15.353 13.181 4.374 1.00 0.00 O ATOM 1517 NE2 GLN A 92 16.925 14.166 3.122 1.00 0.00 N ATOM 0 H GLN A 92 15.851 11.295 0.122 1.00 0.00 H new ATOM 0 HA GLN A 92 15.672 9.180 1.986 1.00 0.00 H new ATOM 0 HB2 GLN A 92 14.201 11.836 2.019 1.00 0.00 H new ATOM 0 HB3 GLN A 92 14.611 10.837 3.399 1.00 0.00 H new ATOM 0 HG2 GLN A 92 17.016 11.231 2.992 1.00 0.00 H new ATOM 0 HG3 GLN A 92 16.632 12.192 1.578 1.00 0.00 H new ATOM 0 HE21 GLN A 92 17.576 14.094 2.340 1.00 0.00 H new ATOM 0 HE22 GLN A 92 16.869 15.030 3.662 1.00 0.00 H new ATOM 1526 N PHE A 93 12.997 9.900 0.260 1.00 0.00 N ATOM 1527 CA PHE A 93 11.678 9.444 -0.136 1.00 0.00 C ATOM 1528 C PHE A 93 11.770 8.080 -0.811 1.00 0.00 C ATOM 1529 O PHE A 93 11.074 7.144 -0.426 1.00 0.00 O ATOM 1530 CB PHE A 93 11.051 10.484 -1.069 1.00 0.00 C ATOM 1531 CG PHE A 93 9.756 10.073 -1.714 1.00 0.00 C ATOM 1532 CD1 PHE A 93 8.586 9.989 -0.977 1.00 0.00 C ATOM 1533 CD2 PHE A 93 9.709 9.794 -3.071 1.00 0.00 C ATOM 1534 CE1 PHE A 93 7.392 9.637 -1.584 1.00 0.00 C ATOM 1535 CE2 PHE A 93 8.523 9.438 -3.680 1.00 0.00 C ATOM 1536 CZ PHE A 93 7.363 9.359 -2.936 1.00 0.00 C ATOM 0 H PHE A 93 13.355 10.674 -0.300 1.00 0.00 H new ATOM 0 HA PHE A 93 11.045 9.332 0.744 1.00 0.00 H new ATOM 0 HB2 PHE A 93 10.881 11.400 -0.503 1.00 0.00 H new ATOM 0 HB3 PHE A 93 11.769 10.723 -1.854 1.00 0.00 H new ATOM 0 HD1 PHE A 93 8.605 10.200 0.082 1.00 0.00 H new ATOM 0 HD2 PHE A 93 10.613 9.856 -3.659 1.00 0.00 H new ATOM 0 HE1 PHE A 93 6.485 9.580 -1.001 1.00 0.00 H new ATOM 0 HE2 PHE A 93 8.502 9.221 -4.738 1.00 0.00 H new ATOM 0 HZ PHE A 93 6.434 9.080 -3.411 1.00 0.00 H new ATOM 1546 N ALA A 94 12.659 7.972 -1.795 1.00 0.00 N ATOM 1547 CA ALA A 94 12.826 6.741 -2.566 1.00 0.00 C ATOM 1548 C ALA A 94 13.204 5.560 -1.673 1.00 0.00 C ATOM 1549 O ALA A 94 12.657 4.467 -1.815 1.00 0.00 O ATOM 1550 CB ALA A 94 13.877 6.935 -3.651 1.00 0.00 C ATOM 0 H ALA A 94 13.280 8.729 -2.080 1.00 0.00 H new ATOM 0 HA ALA A 94 11.867 6.512 -3.031 1.00 0.00 H new ATOM 0 HB1 ALA A 94 13.991 6.010 -4.217 1.00 0.00 H new ATOM 0 HB2 ALA A 94 13.564 7.735 -4.322 1.00 0.00 H new ATOM 0 HB3 ALA A 94 14.830 7.199 -3.192 1.00 0.00 H new ATOM 1556 N SER A 95 14.134 5.788 -0.754 1.00 0.00 N ATOM 1557 CA SER A 95 14.592 4.741 0.148 1.00 0.00 C ATOM 1558 C SER A 95 13.431 4.190 0.977 1.00 0.00 C ATOM 1559 O SER A 95 13.286 2.976 1.137 1.00 0.00 O ATOM 1560 CB SER A 95 15.696 5.282 1.064 1.00 0.00 C ATOM 1561 OG SER A 95 16.278 4.247 1.841 1.00 0.00 O ATOM 0 H SER A 95 14.586 6.691 -0.614 1.00 0.00 H new ATOM 0 HA SER A 95 14.998 3.924 -0.449 1.00 0.00 H new ATOM 0 HB2 SER A 95 16.466 5.764 0.462 1.00 0.00 H new ATOM 0 HB3 SER A 95 15.282 6.045 1.723 1.00 0.00 H new ATOM 0 HG SER A 95 16.979 4.623 2.413 1.00 0.00 H new ATOM 1567 N LEU A 96 12.601 5.085 1.494 1.00 0.00 N ATOM 1568 CA LEU A 96 11.448 4.687 2.288 1.00 0.00 C ATOM 1569 C LEU A 96 10.350 4.078 1.416 1.00 0.00 C ATOM 1570 O LEU A 96 9.621 3.188 1.859 1.00 0.00 O ATOM 1571 CB LEU A 96 10.922 5.868 3.113 1.00 0.00 C ATOM 1572 CG LEU A 96 11.551 6.003 4.508 1.00 0.00 C ATOM 1573 CD1 LEU A 96 13.003 6.445 4.414 1.00 0.00 C ATOM 1574 CD2 LEU A 96 10.758 6.968 5.372 1.00 0.00 C ATOM 0 H LEU A 96 12.705 6.093 1.377 1.00 0.00 H new ATOM 0 HA LEU A 96 11.771 3.912 2.983 1.00 0.00 H new ATOM 0 HB2 LEU A 96 11.099 6.789 2.558 1.00 0.00 H new ATOM 0 HB3 LEU A 96 9.843 5.765 3.224 1.00 0.00 H new ATOM 0 HG LEU A 96 11.524 5.020 4.978 1.00 0.00 H new ATOM 0 HD11 LEU A 96 13.422 6.532 5.416 1.00 0.00 H new ATOM 0 HD12 LEU A 96 13.571 5.709 3.846 1.00 0.00 H new ATOM 0 HD13 LEU A 96 13.057 7.411 3.913 1.00 0.00 H new ATOM 0 HD21 LEU A 96 11.225 7.045 6.354 1.00 0.00 H new ATOM 0 HD22 LEU A 96 10.742 7.950 4.900 1.00 0.00 H new ATOM 0 HD23 LEU A 96 9.737 6.602 5.483 1.00 0.00 H new ATOM 1586 N VAL A 97 10.236 4.549 0.175 1.00 0.00 N ATOM 1587 CA VAL A 97 9.292 3.966 -0.780 1.00 0.00 C ATOM 1588 C VAL A 97 9.638 2.502 -1.041 1.00 0.00 C ATOM 1589 O VAL A 97 8.749 1.662 -1.171 1.00 0.00 O ATOM 1590 CB VAL A 97 9.270 4.744 -2.121 1.00 0.00 C ATOM 1591 CG1 VAL A 97 8.509 3.975 -3.195 1.00 0.00 C ATOM 1592 CG2 VAL A 97 8.643 6.113 -1.923 1.00 0.00 C ATOM 0 H VAL A 97 10.782 5.328 -0.192 1.00 0.00 H new ATOM 0 HA VAL A 97 8.299 4.034 -0.336 1.00 0.00 H new ATOM 0 HB VAL A 97 10.301 4.864 -2.455 1.00 0.00 H new ATOM 0 HG11 VAL A 97 8.512 4.547 -4.123 1.00 0.00 H new ATOM 0 HG12 VAL A 97 8.989 3.011 -3.362 1.00 0.00 H new ATOM 0 HG13 VAL A 97 7.481 3.817 -2.869 1.00 0.00 H new ATOM 0 HG21 VAL A 97 8.633 6.649 -2.872 1.00 0.00 H new ATOM 0 HG22 VAL A 97 7.621 5.996 -1.562 1.00 0.00 H new ATOM 0 HG23 VAL A 97 9.224 6.677 -1.193 1.00 0.00 H new ATOM 1602 N GLN A 98 10.931 2.199 -1.091 1.00 0.00 N ATOM 1603 CA GLN A 98 11.386 0.821 -1.245 1.00 0.00 C ATOM 1604 C GLN A 98 10.858 -0.053 -0.111 1.00 0.00 C ATOM 1605 O GLN A 98 10.461 -1.199 -0.329 1.00 0.00 O ATOM 1606 CB GLN A 98 12.914 0.755 -1.282 1.00 0.00 C ATOM 1607 CG GLN A 98 13.518 1.318 -2.555 1.00 0.00 C ATOM 1608 CD GLN A 98 15.017 1.122 -2.613 1.00 0.00 C ATOM 1609 OE1 GLN A 98 15.792 1.989 -2.207 1.00 0.00 O ATOM 1610 NE2 GLN A 98 15.436 -0.037 -3.091 1.00 0.00 N ATOM 0 H GLN A 98 11.681 2.887 -1.027 1.00 0.00 H new ATOM 0 HA GLN A 98 10.995 0.445 -2.190 1.00 0.00 H new ATOM 0 HB2 GLN A 98 13.313 1.302 -0.428 1.00 0.00 H new ATOM 0 HB3 GLN A 98 13.227 -0.283 -1.170 1.00 0.00 H new ATOM 0 HG2 GLN A 98 13.057 0.837 -3.417 1.00 0.00 H new ATOM 0 HG3 GLN A 98 13.290 2.382 -2.624 1.00 0.00 H new ATOM 0 HE21 GLN A 98 14.761 -0.728 -3.417 1.00 0.00 H new ATOM 0 HE22 GLN A 98 16.435 -0.240 -3.134 1.00 0.00 H new ATOM 1619 N GLN A 99 10.832 0.503 1.094 1.00 0.00 N ATOM 1620 CA GLN A 99 10.331 -0.222 2.252 1.00 0.00 C ATOM 1621 C GLN A 99 8.828 -0.448 2.119 1.00 0.00 C ATOM 1622 O GLN A 99 8.328 -1.531 2.418 1.00 0.00 O ATOM 1623 CB GLN A 99 10.644 0.538 3.545 1.00 0.00 C ATOM 1624 CG GLN A 99 12.122 0.878 3.713 1.00 0.00 C ATOM 1625 CD GLN A 99 12.442 1.485 5.070 1.00 0.00 C ATOM 1626 OE1 GLN A 99 11.804 1.167 6.072 1.00 0.00 O ATOM 1627 NE2 GLN A 99 13.438 2.360 5.113 1.00 0.00 N ATOM 0 H GLN A 99 11.151 1.451 1.293 1.00 0.00 H new ATOM 0 HA GLN A 99 10.830 -1.190 2.297 1.00 0.00 H new ATOM 0 HB2 GLN A 99 10.064 1.460 3.564 1.00 0.00 H new ATOM 0 HB3 GLN A 99 10.319 -0.061 4.396 1.00 0.00 H new ATOM 0 HG2 GLN A 99 12.715 -0.026 3.577 1.00 0.00 H new ATOM 0 HG3 GLN A 99 12.420 1.575 2.930 1.00 0.00 H new ATOM 0 HE21 GLN A 99 13.944 2.599 4.260 1.00 0.00 H new ATOM 0 HE22 GLN A 99 13.698 2.794 5.999 1.00 0.00 H new ATOM 1636 N HIS A 100 8.122 0.580 1.653 1.00 0.00 N ATOM 1637 CA HIS A 100 6.684 0.491 1.397 1.00 0.00 C ATOM 1638 C HIS A 100 6.411 -0.590 0.352 1.00 0.00 C ATOM 1639 O HIS A 100 5.492 -1.393 0.497 1.00 0.00 O ATOM 1640 CB HIS A 100 6.165 1.854 0.904 1.00 0.00 C ATOM 1641 CG HIS A 100 4.664 2.016 0.874 1.00 0.00 C ATOM 1642 ND1 HIS A 100 4.043 3.227 0.665 1.00 0.00 N ATOM 1643 CD2 HIS A 100 3.661 1.108 1.034 1.00 0.00 C ATOM 1644 CE1 HIS A 100 2.723 3.034 0.701 1.00 0.00 C ATOM 1645 NE2 HIS A 100 2.427 1.759 0.925 1.00 0.00 N ATOM 0 H HIS A 100 8.526 1.493 1.443 1.00 0.00 H new ATOM 0 HA HIS A 100 6.165 0.226 2.318 1.00 0.00 H new ATOM 0 HB2 HIS A 100 6.582 2.633 1.542 1.00 0.00 H new ATOM 0 HB3 HIS A 100 6.550 2.026 -0.101 1.00 0.00 H new ATOM 0 HD2 HIS A 100 3.797 0.052 1.216 1.00 0.00 H new ATOM 0 HE1 HIS A 100 1.989 3.815 0.565 1.00 0.00 H new ATOM 0 HE2 HIS A 100 1.499 1.343 1.001 1.00 0.00 H new ATOM 1653 N LEU A 101 7.236 -0.606 -0.690 1.00 0.00 N ATOM 1654 CA LEU A 101 7.113 -1.580 -1.767 1.00 0.00 C ATOM 1655 C LEU A 101 7.229 -3.005 -1.235 1.00 0.00 C ATOM 1656 O LEU A 101 6.411 -3.865 -1.559 1.00 0.00 O ATOM 1657 CB LEU A 101 8.195 -1.328 -2.821 1.00 0.00 C ATOM 1658 CG LEU A 101 8.134 -2.227 -4.057 1.00 0.00 C ATOM 1659 CD1 LEU A 101 6.857 -1.976 -4.838 1.00 0.00 C ATOM 1660 CD2 LEU A 101 9.354 -2.000 -4.938 1.00 0.00 C ATOM 0 H LEU A 101 8.005 0.053 -0.811 1.00 0.00 H new ATOM 0 HA LEU A 101 6.129 -1.465 -2.221 1.00 0.00 H new ATOM 0 HB2 LEU A 101 8.127 -0.290 -3.145 1.00 0.00 H new ATOM 0 HB3 LEU A 101 9.171 -1.452 -2.351 1.00 0.00 H new ATOM 0 HG LEU A 101 8.134 -3.266 -3.728 1.00 0.00 H new ATOM 0 HD11 LEU A 101 6.832 -2.625 -5.713 1.00 0.00 H new ATOM 0 HD12 LEU A 101 5.996 -2.188 -4.205 1.00 0.00 H new ATOM 0 HD13 LEU A 101 6.825 -0.934 -5.158 1.00 0.00 H new ATOM 0 HD21 LEU A 101 9.296 -2.647 -5.813 1.00 0.00 H new ATOM 0 HD22 LEU A 101 9.383 -0.958 -5.258 1.00 0.00 H new ATOM 0 HD23 LEU A 101 10.258 -2.232 -4.375 1.00 0.00 H new ATOM 1672 N GLN A 102 8.251 -3.250 -0.422 1.00 0.00 N ATOM 1673 CA GLN A 102 8.457 -4.560 0.176 1.00 0.00 C ATOM 1674 C GLN A 102 7.319 -4.893 1.136 1.00 0.00 C ATOM 1675 O GLN A 102 6.837 -6.026 1.185 1.00 0.00 O ATOM 1676 CB GLN A 102 9.788 -4.587 0.927 1.00 0.00 C ATOM 1677 CG GLN A 102 11.010 -4.370 0.047 1.00 0.00 C ATOM 1678 CD GLN A 102 11.177 -5.443 -1.011 1.00 0.00 C ATOM 1679 OE1 GLN A 102 11.804 -6.475 -0.775 1.00 0.00 O ATOM 1680 NE2 GLN A 102 10.631 -5.198 -2.191 1.00 0.00 N ATOM 0 H GLN A 102 8.951 -2.555 -0.163 1.00 0.00 H new ATOM 0 HA GLN A 102 8.476 -5.305 -0.619 1.00 0.00 H new ATOM 0 HB2 GLN A 102 9.771 -3.819 1.700 1.00 0.00 H new ATOM 0 HB3 GLN A 102 9.886 -5.547 1.434 1.00 0.00 H new ATOM 0 HG2 GLN A 102 10.933 -3.397 -0.439 1.00 0.00 H new ATOM 0 HG3 GLN A 102 11.902 -4.343 0.673 1.00 0.00 H new ATOM 0 HE21 GLN A 102 10.119 -4.330 -2.346 1.00 0.00 H new ATOM 0 HE22 GLN A 102 10.722 -5.878 -2.946 1.00 0.00 H new ATOM 1689 N ASP A 103 6.891 -3.879 1.873 1.00 0.00 N ATOM 1690 CA ASP A 103 5.836 -4.009 2.872 1.00 0.00 C ATOM 1691 C ASP A 103 4.550 -4.542 2.244 1.00 0.00 C ATOM 1692 O ASP A 103 3.954 -5.504 2.738 1.00 0.00 O ATOM 1693 CB ASP A 103 5.596 -2.630 3.497 1.00 0.00 C ATOM 1694 CG ASP A 103 4.619 -2.629 4.653 1.00 0.00 C ATOM 1695 OD1 ASP A 103 3.461 -3.013 4.509 1.00 0.00 O ATOM 1696 OD2 ASP A 103 4.950 -2.164 5.752 1.00 0.00 O ATOM 0 H ASP A 103 7.268 -2.934 1.795 1.00 0.00 H new ATOM 0 HA ASP A 103 6.143 -4.721 3.638 1.00 0.00 H new ATOM 0 HB2 ASP A 103 6.549 -2.230 3.843 1.00 0.00 H new ATOM 0 HB3 ASP A 103 5.228 -1.954 2.725 1.00 0.00 H new ATOM 1701 N GLU A 104 4.143 -3.931 1.138 1.00 0.00 N ATOM 1702 CA GLU A 104 2.909 -4.309 0.460 1.00 0.00 C ATOM 1703 C GLU A 104 3.017 -5.698 -0.163 1.00 0.00 C ATOM 1704 O GLU A 104 2.031 -6.429 -0.233 1.00 0.00 O ATOM 1705 CB GLU A 104 2.556 -3.285 -0.618 1.00 0.00 C ATOM 1706 CG GLU A 104 2.430 -1.865 -0.094 1.00 0.00 C ATOM 1707 CD GLU A 104 1.255 -1.668 0.843 1.00 0.00 C ATOM 1708 OE1 GLU A 104 0.737 -2.664 1.409 1.00 0.00 O ATOM 1709 OE2 GLU A 104 0.848 -0.502 1.044 1.00 0.00 O ATOM 0 H GLU A 104 4.652 -3.169 0.690 1.00 0.00 H new ATOM 0 HA GLU A 104 2.117 -4.331 1.209 1.00 0.00 H new ATOM 0 HB2 GLU A 104 3.321 -3.310 -1.394 1.00 0.00 H new ATOM 0 HB3 GLU A 104 1.616 -3.574 -1.087 1.00 0.00 H new ATOM 0 HG2 GLU A 104 3.349 -1.596 0.427 1.00 0.00 H new ATOM 0 HG3 GLU A 104 2.330 -1.182 -0.938 1.00 0.00 H new ATOM 1716 N GLN A 105 4.217 -6.059 -0.610 1.00 0.00 N ATOM 1717 CA GLN A 105 4.439 -7.375 -1.199 1.00 0.00 C ATOM 1718 C GLN A 105 4.152 -8.469 -0.178 1.00 0.00 C ATOM 1719 O GLN A 105 3.519 -9.474 -0.497 1.00 0.00 O ATOM 1720 CB GLN A 105 5.872 -7.501 -1.727 1.00 0.00 C ATOM 1721 CG GLN A 105 6.144 -6.643 -2.949 1.00 0.00 C ATOM 1722 CD GLN A 105 7.569 -6.769 -3.448 1.00 0.00 C ATOM 1723 OE1 GLN A 105 8.215 -7.805 -3.289 1.00 0.00 O ATOM 1724 NE2 GLN A 105 8.071 -5.711 -4.060 1.00 0.00 N ATOM 0 H GLN A 105 5.044 -5.463 -0.576 1.00 0.00 H new ATOM 0 HA GLN A 105 3.754 -7.492 -2.039 1.00 0.00 H new ATOM 0 HB2 GLN A 105 6.568 -7.223 -0.936 1.00 0.00 H new ATOM 0 HB3 GLN A 105 6.070 -8.544 -1.974 1.00 0.00 H new ATOM 0 HG2 GLN A 105 5.458 -6.927 -3.747 1.00 0.00 H new ATOM 0 HG3 GLN A 105 5.939 -5.600 -2.708 1.00 0.00 H new ATOM 0 HE21 GLN A 105 7.504 -4.870 -4.173 1.00 0.00 H new ATOM 0 HE22 GLN A 105 9.025 -5.735 -4.420 1.00 0.00 H new ATOM 1733 N ARG A 106 4.592 -8.246 1.057 1.00 0.00 N ATOM 1734 CA ARG A 106 4.361 -9.198 2.144 1.00 0.00 C ATOM 1735 C ARG A 106 2.873 -9.284 2.471 1.00 0.00 C ATOM 1736 O ARG A 106 2.375 -10.344 2.856 1.00 0.00 O ATOM 1737 CB ARG A 106 5.167 -8.807 3.392 1.00 0.00 C ATOM 1738 CG ARG A 106 6.614 -9.300 3.386 1.00 0.00 C ATOM 1739 CD ARG A 106 7.325 -8.943 2.092 1.00 0.00 C ATOM 1740 NE ARG A 106 8.758 -9.239 2.120 1.00 0.00 N ATOM 1741 CZ ARG A 106 9.394 -9.903 1.151 1.00 0.00 C ATOM 1742 NH1 ARG A 106 8.700 -10.547 0.218 1.00 0.00 N ATOM 1743 NH2 ARG A 106 10.717 -9.982 1.154 1.00 0.00 N ATOM 0 H ARG A 106 5.112 -7.413 1.332 1.00 0.00 H new ATOM 0 HA ARG A 106 4.700 -10.181 1.815 1.00 0.00 H new ATOM 0 HB2 ARG A 106 5.166 -7.721 3.485 1.00 0.00 H new ATOM 0 HB3 ARG A 106 4.664 -9.203 4.274 1.00 0.00 H new ATOM 0 HG2 ARG A 106 7.151 -8.863 4.228 1.00 0.00 H new ATOM 0 HG3 ARG A 106 6.630 -10.381 3.524 1.00 0.00 H new ATOM 0 HD2 ARG A 106 6.864 -9.489 1.269 1.00 0.00 H new ATOM 0 HD3 ARG A 106 7.184 -7.881 1.889 1.00 0.00 H new ATOM 0 HE ARG A 106 9.301 -8.921 2.923 1.00 0.00 H new ATOM 0 HH11 ARG A 106 7.680 -10.535 0.241 1.00 0.00 H new ATOM 0 HH12 ARG A 106 9.187 -11.054 -0.521 1.00 0.00 H new ATOM 0 HH21 ARG A 106 11.253 -9.535 1.898 1.00 0.00 H new ATOM 0 HH22 ARG A 106 11.199 -10.490 0.412 1.00 0.00 H new ATOM 1757 N HIS A 107 2.169 -8.167 2.308 1.00 0.00 N ATOM 1758 CA HIS A 107 0.717 -8.143 2.478 1.00 0.00 C ATOM 1759 C HIS A 107 0.044 -9.033 1.438 1.00 0.00 C ATOM 1760 O HIS A 107 -0.830 -9.839 1.765 1.00 0.00 O ATOM 1761 CB HIS A 107 0.175 -6.711 2.368 1.00 0.00 C ATOM 1762 CG HIS A 107 0.377 -5.877 3.598 1.00 0.00 C ATOM 1763 ND1 HIS A 107 0.106 -4.515 3.678 1.00 0.00 N ATOM 1764 CD2 HIS A 107 0.801 -6.248 4.831 1.00 0.00 C ATOM 1765 CE1 HIS A 107 0.374 -4.130 4.940 1.00 0.00 C ATOM 1766 NE2 HIS A 107 0.797 -5.142 5.671 1.00 0.00 N ATOM 0 H HIS A 107 2.579 -7.267 2.059 1.00 0.00 H new ATOM 0 HA HIS A 107 0.489 -8.524 3.474 1.00 0.00 H new ATOM 0 HB2 HIS A 107 0.658 -6.216 1.525 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -0.891 -6.755 2.144 1.00 0.00 H new ATOM 0 HD2 HIS A 107 1.096 -7.247 5.116 1.00 0.00 H new ATOM 0 HE1 HIS A 107 0.257 -3.121 5.307 1.00 0.00 H new ATOM 0 HE2 HIS A 107 1.067 -5.118 6.654 1.00 0.00 H new ATOM 1773 N VAL A 108 0.471 -8.895 0.187 1.00 0.00 N ATOM 1774 CA VAL A 108 -0.060 -9.709 -0.901 1.00 0.00 C ATOM 1775 C VAL A 108 0.242 -11.190 -0.668 1.00 0.00 C ATOM 1776 O VAL A 108 -0.613 -12.049 -0.883 1.00 0.00 O ATOM 1777 CB VAL A 108 0.518 -9.274 -2.267 1.00 0.00 C ATOM 1778 CG1 VAL A 108 -0.026 -10.143 -3.395 1.00 0.00 C ATOM 1779 CG2 VAL A 108 0.218 -7.806 -2.527 1.00 0.00 C ATOM 0 H VAL A 108 1.185 -8.225 -0.099 1.00 0.00 H new ATOM 0 HA VAL A 108 -1.140 -9.560 -0.918 1.00 0.00 H new ATOM 0 HB VAL A 108 1.599 -9.407 -2.235 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.397 -9.814 -4.344 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.247 -11.183 -3.217 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -1.112 -10.054 -3.432 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.632 -7.516 -3.493 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -0.861 -7.651 -2.533 1.00 0.00 H new ATOM 0 HG23 VAL A 108 0.668 -7.198 -1.742 1.00 0.00 H new ATOM 1789 N GLU A 109 1.458 -11.472 -0.210 1.00 0.00 N ATOM 1790 CA GLU A 109 1.885 -12.838 0.084 1.00 0.00 C ATOM 1791 C GLU A 109 0.992 -13.491 1.137 1.00 0.00 C ATOM 1792 O GLU A 109 0.775 -14.698 1.106 1.00 0.00 O ATOM 1793 CB GLU A 109 3.345 -12.860 0.536 1.00 0.00 C ATOM 1794 CG GLU A 109 4.314 -12.458 -0.563 1.00 0.00 C ATOM 1795 CD GLU A 109 5.757 -12.456 -0.111 1.00 0.00 C ATOM 1796 OE1 GLU A 109 6.224 -11.420 0.399 1.00 0.00 O ATOM 1797 OE2 GLU A 109 6.442 -13.489 -0.284 1.00 0.00 O ATOM 0 H GLU A 109 2.172 -10.766 -0.033 1.00 0.00 H new ATOM 0 HA GLU A 109 1.793 -13.416 -0.835 1.00 0.00 H new ATOM 0 HB2 GLU A 109 3.467 -12.186 1.384 1.00 0.00 H new ATOM 0 HB3 GLU A 109 3.596 -13.861 0.886 1.00 0.00 H new ATOM 0 HG2 GLU A 109 4.204 -13.142 -1.404 1.00 0.00 H new ATOM 0 HG3 GLU A 109 4.052 -11.464 -0.925 1.00 0.00 H new ATOM 1804 N GLU A 110 0.497 -12.694 2.073 1.00 0.00 N ATOM 1805 CA GLU A 110 -0.404 -13.196 3.104 1.00 0.00 C ATOM 1806 C GLU A 110 -1.759 -13.574 2.498 1.00 0.00 C ATOM 1807 O GLU A 110 -2.274 -14.668 2.733 1.00 0.00 O ATOM 1808 CB GLU A 110 -0.584 -12.133 4.195 1.00 0.00 C ATOM 1809 CG GLU A 110 -1.536 -12.532 5.316 1.00 0.00 C ATOM 1810 CD GLU A 110 -1.032 -13.702 6.139 1.00 0.00 C ATOM 1811 OE1 GLU A 110 -0.043 -13.527 6.885 1.00 0.00 O ATOM 1812 OE2 GLU A 110 -1.631 -14.793 6.063 1.00 0.00 O ATOM 0 H GLU A 110 0.703 -11.697 2.141 1.00 0.00 H new ATOM 0 HA GLU A 110 0.031 -14.092 3.547 1.00 0.00 H new ATOM 0 HB2 GLU A 110 0.391 -11.905 4.627 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -0.950 -11.216 3.734 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -1.694 -11.676 5.972 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -2.505 -12.788 4.887 1.00 0.00 H new ATOM 1819 N ILE A 111 -2.312 -12.677 1.691 1.00 0.00 N ATOM 1820 CA ILE A 111 -3.643 -12.873 1.118 1.00 0.00 C ATOM 1821 C ILE A 111 -3.636 -13.950 0.028 1.00 0.00 C ATOM 1822 O ILE A 111 -4.482 -14.846 0.016 1.00 0.00 O ATOM 1823 CB ILE A 111 -4.195 -11.557 0.525 1.00 0.00 C ATOM 1824 CG1 ILE A 111 -4.195 -10.447 1.582 1.00 0.00 C ATOM 1825 CG2 ILE A 111 -5.599 -11.762 -0.032 1.00 0.00 C ATOM 1826 CD1 ILE A 111 -5.031 -10.762 2.808 1.00 0.00 C ATOM 0 H ILE A 111 -1.861 -11.804 1.417 1.00 0.00 H new ATOM 0 HA ILE A 111 -4.289 -13.201 1.933 1.00 0.00 H new ATOM 0 HB ILE A 111 -3.543 -11.254 -0.294 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -3.168 -10.257 1.894 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -4.566 -9.528 1.129 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -5.968 -10.823 -0.444 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -5.572 -12.517 -0.817 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -6.263 -12.093 0.767 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -4.979 -9.928 3.508 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -6.067 -10.922 2.510 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -4.648 -11.663 3.288 1.00 0.00 H new ATOM 1838 N GLU A 112 -2.682 -13.853 -0.885 1.00 0.00 N ATOM 1839 CA GLU A 112 -2.604 -14.772 -2.013 1.00 0.00 C ATOM 1840 C GLU A 112 -1.965 -16.095 -1.613 1.00 0.00 C ATOM 1841 O GLU A 112 -2.395 -17.158 -2.074 1.00 0.00 O ATOM 1842 CB GLU A 112 -1.814 -14.126 -3.148 1.00 0.00 C ATOM 1843 CG GLU A 112 -2.586 -13.044 -3.881 1.00 0.00 C ATOM 1844 CD GLU A 112 -3.641 -13.616 -4.806 1.00 0.00 C ATOM 1845 OE1 GLU A 112 -4.580 -14.286 -4.319 1.00 0.00 O ATOM 1846 OE2 GLU A 112 -3.523 -13.416 -6.029 1.00 0.00 O ATOM 0 H GLU A 112 -1.948 -13.145 -0.868 1.00 0.00 H new ATOM 0 HA GLU A 112 -3.619 -14.985 -2.350 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -0.897 -13.697 -2.744 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -1.519 -14.897 -3.860 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -3.062 -12.385 -3.155 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -1.892 -12.434 -4.459 1.00 0.00 H new ATOM 1853 N LYS A 113 -0.931 -16.007 -0.766 1.00 0.00 N ATOM 1854 CA LYS A 113 -0.169 -17.162 -0.250 1.00 0.00 C ATOM 1855 C LYS A 113 0.223 -18.162 -1.345 1.00 0.00 C ATOM 1856 O LYS A 113 0.510 -19.327 -1.057 1.00 0.00 O ATOM 1857 CB LYS A 113 -0.908 -17.856 0.916 1.00 0.00 C ATOM 1858 CG LYS A 113 -2.315 -18.328 0.598 1.00 0.00 C ATOM 1859 CD LYS A 113 -3.014 -18.876 1.830 1.00 0.00 C ATOM 1860 CE LYS A 113 -4.461 -19.238 1.536 1.00 0.00 C ATOM 1861 NZ LYS A 113 -4.572 -20.354 0.561 1.00 0.00 N ATOM 0 H LYS A 113 -0.590 -15.114 -0.410 1.00 0.00 H new ATOM 0 HA LYS A 113 0.765 -16.759 0.140 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -0.318 -18.714 1.240 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -0.955 -17.165 1.758 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -2.893 -17.499 0.189 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -2.275 -19.099 -0.171 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -2.483 -19.758 2.189 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -2.978 -18.136 2.629 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -4.960 -19.517 2.464 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -4.981 -18.363 1.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -5.567 -20.646 0.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -4.227 -20.039 -0.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -4.000 -21.159 0.888 1.00 0.00 H new ATOM 1875 N LYS A 114 0.281 -17.682 -2.588 1.00 0.00 N ATOM 1876 CA LYS A 114 0.698 -18.490 -3.734 1.00 0.00 C ATOM 1877 C LYS A 114 0.703 -17.647 -5.003 1.00 0.00 C ATOM 1878 O LYS A 114 0.321 -18.117 -6.078 1.00 0.00 O ATOM 1879 CB LYS A 114 -0.216 -19.710 -3.932 1.00 0.00 C ATOM 1880 CG LYS A 114 0.491 -21.035 -3.686 1.00 0.00 C ATOM 1881 CD LYS A 114 1.734 -21.159 -4.556 1.00 0.00 C ATOM 1882 CE LYS A 114 2.597 -22.336 -4.139 1.00 0.00 C ATOM 1883 NZ LYS A 114 3.838 -22.435 -4.951 1.00 0.00 N ATOM 0 H LYS A 114 0.040 -16.721 -2.828 1.00 0.00 H new ATOM 0 HA LYS A 114 1.706 -18.849 -3.529 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -1.069 -19.630 -3.258 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -0.611 -19.699 -4.948 1.00 0.00 H new ATOM 0 HG2 LYS A 114 0.769 -21.113 -2.635 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -0.190 -21.860 -3.898 1.00 0.00 H new ATOM 0 HD2 LYS A 114 1.438 -21.276 -5.599 1.00 0.00 H new ATOM 0 HD3 LYS A 114 2.316 -20.240 -4.491 1.00 0.00 H new ATOM 0 HE2 LYS A 114 2.860 -22.237 -3.086 1.00 0.00 H new ATOM 0 HE3 LYS A 114 2.024 -23.258 -4.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 4.397 -23.252 -4.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 3.588 -22.556 -5.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 4.398 -21.566 -4.836 1.00 0.00 H new ATOM 1897 N ASN A 115 1.155 -16.408 -4.879 1.00 0.00 N ATOM 1898 CA ASN A 115 1.195 -15.492 -6.011 1.00 0.00 C ATOM 1899 C ASN A 115 2.202 -14.381 -5.750 1.00 0.00 C ATOM 1900 O ASN A 115 1.853 -13.398 -5.066 1.00 0.00 O ATOM 1901 CB ASN A 115 -0.195 -14.907 -6.290 1.00 0.00 C ATOM 1902 CG ASN A 115 -0.204 -13.927 -7.450 1.00 0.00 C ATOM 1903 OD1 ASN A 115 0.625 -14.006 -8.359 1.00 0.00 O ATOM 1904 ND2 ASN A 115 -1.167 -13.019 -7.450 1.00 0.00 N ATOM 1905 OXT ASN A 115 3.352 -14.505 -6.221 1.00 0.00 O ATOM 0 H ASN A 115 1.500 -16.012 -4.004 1.00 0.00 H new ATOM 0 HA ASN A 115 1.509 -16.048 -6.894 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -0.889 -15.720 -6.503 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -0.558 -14.404 -5.394 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -1.241 -12.354 -8.220 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -1.835 -12.984 -6.680 1.00 0.00 H new TER 1912 ASN A 115 HETATM 1913 ZN ZN A 500 3.364 -2.244 6.053 1.00 0.00 ZN HETATM 1914 ZN ZN A 501 0.261 0.820 1.712 1.00 0.00 ZN HETATM 1915 ZN ZN A 502 -0.629 -3.179 2.064 1.00 0.00 ZN