USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 575 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 46 LYS NZ :NH3+ -135:sc= -4.48! (180deg=-0.633) USER MOD Set 1.2: A 53 HIS : no HD1:sc= -4.32! C(o=-8.8!,f=-17!) USER MOD Set 2.1: A 20 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 23 SER OG : rot -110:sc= -0.384 USER MOD Set 3.1: A 10 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 163:sc= -0.0557 (180deg=-0.415) USER MOD Single : A 4 THR OG1 : rot -178:sc= 1.06 USER MOD Single : A 8 ASN : amide:sc=-0.00727 K(o=-0.0073,f=-1.4) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.0389 K(o=-0.039,f=-2!) USER MOD Single : A 21 THR OG1 : rot 52:sc= 0.974 USER MOD Single : A 22 SER OG : rot 180:sc= -1.03 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.38 K(o=-0.38,f=-0.91) USER MOD Single : A 33 THR OG1 : rot 66:sc= -1.19! USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= -0.549 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc=-0.00681 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -113:sc= -1.69 (180deg=-4.06!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 132:sc= -0.87 (180deg=-3.5!) USER MOD Single : A 65 LYS NZ :NH3+ -164:sc= -0.0187 (180deg=-0.397) USER MOD Single : A 71 HIS : no HD1:sc= -0.0748 K(o=-0.075,f=-0.74) USER MOD Single : A 72 HIS : no HD1:sc= -0.21 K(o=-0.21,f=-0.81) USER MOD Single : A 73 HIS : no HD1:sc=-0.00653 X(o=-0.0065,f=-0.16) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 75 HIS : no HD1:sc= -0.0069 X(o=-0.0069,f=-0.33) USER MOD Single : A 76 HIS : no HD1:sc= -1.23 K(o=-1.2,f=-1.9) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 9.544 7.917 11.144 1.00 0.00 N ATOM 2 CA ALA A 1 8.120 7.483 11.103 1.00 0.00 C ATOM 3 C ALA A 1 7.704 7.273 9.647 1.00 0.00 C ATOM 4 O ALA A 1 7.161 6.248 9.281 1.00 0.00 O ATOM 5 CB ALA A 1 7.237 8.567 11.724 1.00 0.00 C ATOM 0 H1 ALA A 1 9.834 8.062 12.132 1.00 0.00 H new ATOM 0 H2 ALA A 1 10.143 7.185 10.711 1.00 0.00 H new ATOM 0 H3 ALA A 1 9.651 8.808 10.618 1.00 0.00 H new ATOM 0 HA ALA A 1 8.005 6.554 11.662 1.00 0.00 H new ATOM 0 HB1 ALA A 1 6.195 8.249 11.694 1.00 0.00 H new ATOM 0 HB2 ALA A 1 7.536 8.731 12.759 1.00 0.00 H new ATOM 0 HB3 ALA A 1 7.350 9.494 11.162 1.00 0.00 H new ATOM 13 N GLU A 2 7.950 8.247 8.815 1.00 0.00 N ATOM 14 CA GLU A 2 7.565 8.123 7.383 1.00 0.00 C ATOM 15 C GLU A 2 8.370 7.003 6.719 1.00 0.00 C ATOM 16 O GLU A 2 9.572 6.907 6.878 1.00 0.00 O ATOM 17 CB GLU A 2 7.848 9.443 6.667 1.00 0.00 C ATOM 18 CG GLU A 2 7.375 9.353 5.213 1.00 0.00 C ATOM 19 CD GLU A 2 7.594 10.698 4.517 1.00 0.00 C ATOM 20 OE1 GLU A 2 7.840 11.670 5.211 1.00 0.00 O ATOM 21 OE2 GLU A 2 7.507 10.732 3.300 1.00 0.00 O ATOM 0 H GLU A 2 8.403 9.126 9.067 1.00 0.00 H new ATOM 0 HA GLU A 2 6.503 7.887 7.317 1.00 0.00 H new ATOM 0 HB2 GLU A 2 7.337 10.261 7.176 1.00 0.00 H new ATOM 0 HB3 GLU A 2 8.915 9.664 6.700 1.00 0.00 H new ATOM 0 HG2 GLU A 2 7.922 8.568 4.690 1.00 0.00 H new ATOM 0 HG3 GLU A 2 6.320 9.082 5.180 1.00 0.00 H new ATOM 28 N LYS A 3 7.712 6.160 5.964 1.00 0.00 N ATOM 29 CA LYS A 3 8.425 5.045 5.270 1.00 0.00 C ATOM 30 C LYS A 3 7.897 4.920 3.842 1.00 0.00 C ATOM 31 O LYS A 3 6.751 5.220 3.565 1.00 0.00 O ATOM 32 CB LYS A 3 8.177 3.738 6.019 1.00 0.00 C ATOM 33 CG LYS A 3 8.890 3.785 7.371 1.00 0.00 C ATOM 34 CD LYS A 3 8.665 2.467 8.110 1.00 0.00 C ATOM 35 CE LYS A 3 9.456 2.476 9.419 1.00 0.00 C ATOM 36 NZ LYS A 3 8.931 3.545 10.313 1.00 0.00 N ATOM 0 H LYS A 3 6.706 6.197 5.798 1.00 0.00 H new ATOM 0 HA LYS A 3 9.495 5.253 5.248 1.00 0.00 H new ATOM 0 HB2 LYS A 3 7.107 3.587 6.164 1.00 0.00 H new ATOM 0 HB3 LYS A 3 8.541 2.895 5.432 1.00 0.00 H new ATOM 0 HG2 LYS A 3 9.957 3.956 7.226 1.00 0.00 H new ATOM 0 HG3 LYS A 3 8.512 4.617 7.965 1.00 0.00 H new ATOM 0 HD2 LYS A 3 7.603 2.329 8.315 1.00 0.00 H new ATOM 0 HD3 LYS A 3 8.981 1.630 7.487 1.00 0.00 H new ATOM 0 HE2 LYS A 3 9.377 1.506 9.910 1.00 0.00 H new ATOM 0 HE3 LYS A 3 10.513 2.645 9.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 9.255 3.374 11.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 9.279 4.470 9.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 7.891 3.539 10.288 1.00 0.00 H new ATOM 50 N THR A 4 8.730 4.476 2.929 1.00 0.00 N ATOM 51 CA THR A 4 8.298 4.320 1.505 1.00 0.00 C ATOM 52 C THR A 4 8.514 2.872 1.067 1.00 0.00 C ATOM 53 O THR A 4 9.627 2.386 0.996 1.00 0.00 O ATOM 54 CB THR A 4 9.122 5.258 0.622 1.00 0.00 C ATOM 55 OG1 THR A 4 10.489 5.185 1.005 1.00 0.00 O ATOM 56 CG2 THR A 4 8.613 6.689 0.797 1.00 0.00 C ATOM 0 H THR A 4 9.698 4.213 3.113 1.00 0.00 H new ATOM 0 HA THR A 4 7.242 4.571 1.409 1.00 0.00 H new ATOM 0 HB THR A 4 9.024 4.963 -0.423 1.00 0.00 H new ATOM 0 HG1 THR A 4 11.015 5.805 0.458 1.00 0.00 H new ATOM 0 HG21 THR A 4 9.197 7.362 0.170 1.00 0.00 H new ATOM 0 HG22 THR A 4 7.564 6.740 0.506 1.00 0.00 H new ATOM 0 HG23 THR A 4 8.715 6.986 1.841 1.00 0.00 H new ATOM 64 N GLY A 5 7.442 2.173 0.783 1.00 0.00 N ATOM 65 CA GLY A 5 7.553 0.745 0.358 1.00 0.00 C ATOM 66 C GLY A 5 7.502 0.648 -1.166 1.00 0.00 C ATOM 67 O GLY A 5 6.757 1.358 -1.818 1.00 0.00 O ATOM 0 H GLY A 5 6.489 2.534 0.828 1.00 0.00 H new ATOM 0 HA2 GLY A 5 8.486 0.319 0.727 1.00 0.00 H new ATOM 0 HA3 GLY A 5 6.742 0.163 0.795 1.00 0.00 H new ATOM 71 N ILE A 6 8.287 -0.230 -1.743 1.00 0.00 N ATOM 72 CA ILE A 6 8.287 -0.375 -3.228 1.00 0.00 C ATOM 73 C ILE A 6 7.331 -1.501 -3.624 1.00 0.00 C ATOM 74 O ILE A 6 7.494 -2.641 -3.234 1.00 0.00 O ATOM 75 CB ILE A 6 9.701 -0.713 -3.697 1.00 0.00 C ATOM 76 CG1 ILE A 6 10.692 0.274 -3.063 1.00 0.00 C ATOM 77 CG2 ILE A 6 9.771 -0.605 -5.223 1.00 0.00 C ATOM 78 CD1 ILE A 6 10.239 1.720 -3.310 1.00 0.00 C ATOM 0 H ILE A 6 8.927 -0.851 -1.248 1.00 0.00 H new ATOM 0 HA ILE A 6 7.962 0.556 -3.693 1.00 0.00 H new ATOM 0 HB ILE A 6 9.956 -1.729 -3.396 1.00 0.00 H new ATOM 0 HG12 ILE A 6 10.766 0.087 -1.992 1.00 0.00 H new ATOM 0 HG13 ILE A 6 11.686 0.121 -3.483 1.00 0.00 H new ATOM 0 HG21 ILE A 6 10.780 -0.846 -5.559 1.00 0.00 H new ATOM 0 HG22 ILE A 6 9.063 -1.303 -5.670 1.00 0.00 H new ATOM 0 HG23 ILE A 6 9.520 0.411 -5.528 1.00 0.00 H new ATOM 0 HD11 ILE A 6 10.952 2.407 -2.854 1.00 0.00 H new ATOM 0 HD12 ILE A 6 10.189 1.907 -4.383 1.00 0.00 H new ATOM 0 HD13 ILE A 6 9.254 1.873 -2.869 1.00 0.00 H new ATOM 90 N VAL A 7 6.326 -1.185 -4.394 1.00 0.00 N ATOM 91 CA VAL A 7 5.348 -2.229 -4.810 1.00 0.00 C ATOM 92 C VAL A 7 5.933 -3.060 -5.952 1.00 0.00 C ATOM 93 O VAL A 7 6.330 -2.537 -6.977 1.00 0.00 O ATOM 94 CB VAL A 7 4.061 -1.551 -5.281 1.00 0.00 C ATOM 95 CG1 VAL A 7 2.964 -2.601 -5.484 1.00 0.00 C ATOM 96 CG2 VAL A 7 3.600 -0.540 -4.225 1.00 0.00 C ATOM 0 H VAL A 7 6.140 -0.249 -4.753 1.00 0.00 H new ATOM 0 HA VAL A 7 5.133 -2.883 -3.965 1.00 0.00 H new ATOM 0 HB VAL A 7 4.252 -1.039 -6.224 1.00 0.00 H new ATOM 0 HG11 VAL A 7 2.050 -2.112 -5.820 1.00 0.00 H new ATOM 0 HG12 VAL A 7 3.286 -3.323 -6.235 1.00 0.00 H new ATOM 0 HG13 VAL A 7 2.775 -3.117 -4.542 1.00 0.00 H new ATOM 0 HG21 VAL A 7 2.683 -0.056 -4.560 1.00 0.00 H new ATOM 0 HG22 VAL A 7 3.415 -1.057 -3.283 1.00 0.00 H new ATOM 0 HG23 VAL A 7 4.375 0.213 -4.079 1.00 0.00 H new ATOM 106 N ASN A 8 5.979 -4.358 -5.785 1.00 0.00 N ATOM 107 CA ASN A 8 6.529 -5.246 -6.855 1.00 0.00 C ATOM 108 C ASN A 8 5.378 -5.973 -7.553 1.00 0.00 C ATOM 109 O ASN A 8 4.921 -7.011 -7.111 1.00 0.00 O ATOM 110 CB ASN A 8 7.476 -6.261 -6.220 1.00 0.00 C ATOM 111 CG ASN A 8 8.125 -7.112 -7.311 1.00 0.00 C ATOM 112 OD1 ASN A 8 8.254 -6.679 -8.439 1.00 0.00 O ATOM 113 ND2 ASN A 8 8.549 -8.311 -7.019 1.00 0.00 N ATOM 0 H ASN A 8 5.657 -4.844 -4.948 1.00 0.00 H new ATOM 0 HA ASN A 8 7.073 -4.652 -7.590 1.00 0.00 H new ATOM 0 HB2 ASN A 8 8.243 -5.745 -5.643 1.00 0.00 H new ATOM 0 HB3 ASN A 8 6.929 -6.898 -5.525 1.00 0.00 H new ATOM 0 HD21 ASN A 8 8.989 -8.885 -7.738 1.00 0.00 H new ATOM 0 HD22 ASN A 8 8.440 -8.674 -6.072 1.00 0.00 H new ATOM 120 N VAL A 9 4.910 -5.436 -8.648 1.00 0.00 N ATOM 121 CA VAL A 9 3.795 -6.088 -9.397 1.00 0.00 C ATOM 122 C VAL A 9 4.008 -5.879 -10.898 1.00 0.00 C ATOM 123 O VAL A 9 4.331 -4.798 -11.351 1.00 0.00 O ATOM 124 CB VAL A 9 2.447 -5.482 -8.962 1.00 0.00 C ATOM 125 CG1 VAL A 9 2.541 -3.956 -8.937 1.00 0.00 C ATOM 126 CG2 VAL A 9 1.344 -5.906 -9.942 1.00 0.00 C ATOM 0 H VAL A 9 5.254 -4.568 -9.059 1.00 0.00 H new ATOM 0 HA VAL A 9 3.783 -7.156 -9.180 1.00 0.00 H new ATOM 0 HB VAL A 9 2.206 -5.845 -7.963 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.583 -3.537 -8.628 1.00 0.00 H new ATOM 0 HG12 VAL A 9 3.314 -3.651 -8.232 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.793 -3.591 -9.933 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.393 -5.474 -9.629 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.591 -5.552 -10.943 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.263 -6.993 -9.951 1.00 0.00 H new ATOM 136 N SER A 10 3.823 -6.913 -11.668 1.00 0.00 N ATOM 137 CA SER A 10 4.002 -6.799 -13.141 1.00 0.00 C ATOM 138 C SER A 10 2.709 -6.278 -13.776 1.00 0.00 C ATOM 139 O SER A 10 2.688 -5.878 -14.925 1.00 0.00 O ATOM 140 CB SER A 10 4.323 -8.182 -13.708 1.00 0.00 C ATOM 141 OG SER A 10 3.263 -9.072 -13.387 1.00 0.00 O ATOM 0 H SER A 10 3.553 -7.840 -11.337 1.00 0.00 H new ATOM 0 HA SER A 10 4.815 -6.108 -13.361 1.00 0.00 H new ATOM 0 HB2 SER A 10 4.452 -8.125 -14.789 1.00 0.00 H new ATOM 0 HB3 SER A 10 5.262 -8.550 -13.294 1.00 0.00 H new ATOM 0 HG SER A 10 3.461 -9.961 -13.749 1.00 0.00 H new ATOM 147 N SER A 11 1.626 -6.288 -13.034 1.00 0.00 N ATOM 148 CA SER A 11 0.315 -5.801 -13.582 1.00 0.00 C ATOM 149 C SER A 11 -0.161 -4.589 -12.786 1.00 0.00 C ATOM 150 O SER A 11 0.131 -3.457 -13.117 1.00 0.00 O ATOM 151 CB SER A 11 -0.726 -6.914 -13.462 1.00 0.00 C ATOM 152 OG SER A 11 -0.333 -8.020 -14.264 1.00 0.00 O ATOM 0 H SER A 11 1.592 -6.614 -12.068 1.00 0.00 H new ATOM 0 HA SER A 11 0.445 -5.521 -14.627 1.00 0.00 H new ATOM 0 HB2 SER A 11 -0.825 -7.223 -12.421 1.00 0.00 H new ATOM 0 HB3 SER A 11 -1.702 -6.549 -13.781 1.00 0.00 H new ATOM 0 HG SER A 11 -1.000 -8.734 -14.186 1.00 0.00 H new ATOM 158 N SER A 12 -0.901 -4.810 -11.735 1.00 0.00 N ATOM 159 CA SER A 12 -1.396 -3.664 -10.926 1.00 0.00 C ATOM 160 C SER A 12 -1.756 -4.141 -9.523 1.00 0.00 C ATOM 161 O SER A 12 -1.918 -5.322 -9.280 1.00 0.00 O ATOM 162 CB SER A 12 -2.639 -3.070 -11.586 1.00 0.00 C ATOM 163 OG SER A 12 -3.579 -4.108 -11.835 1.00 0.00 O ATOM 0 H SER A 12 -1.183 -5.732 -11.403 1.00 0.00 H new ATOM 0 HA SER A 12 -0.614 -2.907 -10.865 1.00 0.00 H new ATOM 0 HB2 SER A 12 -3.080 -2.311 -10.940 1.00 0.00 H new ATOM 0 HB3 SER A 12 -2.369 -2.576 -12.520 1.00 0.00 H new ATOM 0 HG SER A 12 -4.379 -3.731 -12.257 1.00 0.00 H new ATOM 169 N LEU A 13 -1.889 -3.223 -8.593 1.00 0.00 N ATOM 170 CA LEU A 13 -2.247 -3.601 -7.188 1.00 0.00 C ATOM 171 C LEU A 13 -3.557 -2.918 -6.790 1.00 0.00 C ATOM 172 O LEU A 13 -3.737 -1.728 -6.969 1.00 0.00 O ATOM 173 CB LEU A 13 -1.126 -3.160 -6.238 1.00 0.00 C ATOM 174 CG LEU A 13 -1.537 -3.412 -4.778 1.00 0.00 C ATOM 175 CD1 LEU A 13 -1.912 -4.890 -4.582 1.00 0.00 C ATOM 176 CD2 LEU A 13 -0.367 -3.055 -3.858 1.00 0.00 C ATOM 0 H LEU A 13 -1.764 -2.223 -8.749 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.371 -4.682 -7.124 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.211 -3.707 -6.465 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.910 -2.102 -6.385 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.401 -2.793 -4.536 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.201 -5.057 -3.545 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.746 -5.144 -5.237 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.055 -5.518 -4.825 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.653 -3.232 -2.821 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.494 -3.674 -4.108 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.108 -2.004 -3.989 1.00 0.00 H new ATOM 188 N ASN A 14 -4.473 -3.671 -6.244 1.00 0.00 N ATOM 189 CA ASN A 14 -5.779 -3.091 -5.822 1.00 0.00 C ATOM 190 C ASN A 14 -5.667 -2.542 -4.399 1.00 0.00 C ATOM 191 O ASN A 14 -4.950 -3.071 -3.572 1.00 0.00 O ATOM 192 CB ASN A 14 -6.847 -4.181 -5.858 1.00 0.00 C ATOM 193 CG ASN A 14 -7.174 -4.515 -7.313 1.00 0.00 C ATOM 194 OD1 ASN A 14 -6.864 -3.751 -8.208 1.00 0.00 O ATOM 195 ND2 ASN A 14 -7.792 -5.628 -7.592 1.00 0.00 N ATOM 0 H ASN A 14 -4.371 -4.671 -6.071 1.00 0.00 H new ATOM 0 HA ASN A 14 -6.051 -2.282 -6.500 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -6.493 -5.071 -5.339 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -7.745 -3.845 -5.339 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -8.016 -5.858 -8.560 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -8.052 -6.269 -6.842 1.00 0.00 H new ATOM 202 N VAL A 15 -6.377 -1.481 -4.109 1.00 0.00 N ATOM 203 CA VAL A 15 -6.325 -0.881 -2.743 1.00 0.00 C ATOM 204 C VAL A 15 -7.608 -1.234 -1.992 1.00 0.00 C ATOM 205 O VAL A 15 -8.704 -1.043 -2.485 1.00 0.00 O ATOM 206 CB VAL A 15 -6.212 0.635 -2.872 1.00 0.00 C ATOM 207 CG1 VAL A 15 -6.355 1.285 -1.495 1.00 0.00 C ATOM 208 CG2 VAL A 15 -4.846 0.985 -3.463 1.00 0.00 C ATOM 0 H VAL A 15 -6.994 -1.002 -4.765 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.465 -1.269 -2.197 1.00 0.00 H new ATOM 0 HB VAL A 15 -7.003 1.005 -3.524 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -6.273 2.367 -1.593 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.327 1.031 -1.072 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.567 0.920 -0.837 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.757 2.067 -3.558 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -4.059 0.613 -2.807 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.746 0.525 -4.446 1.00 0.00 H new ATOM 218 N ARG A 16 -7.475 -1.753 -0.800 1.00 0.00 N ATOM 219 CA ARG A 16 -8.671 -2.136 0.002 1.00 0.00 C ATOM 220 C ARG A 16 -8.847 -1.148 1.152 1.00 0.00 C ATOM 221 O ARG A 16 -7.897 -0.733 1.788 1.00 0.00 O ATOM 222 CB ARG A 16 -8.460 -3.546 0.562 1.00 0.00 C ATOM 223 CG ARG A 16 -8.416 -4.579 -0.594 1.00 0.00 C ATOM 224 CD ARG A 16 -6.967 -4.821 -1.040 1.00 0.00 C ATOM 225 NE ARG A 16 -6.206 -5.432 0.082 1.00 0.00 N ATOM 226 CZ ARG A 16 -4.913 -5.587 -0.004 1.00 0.00 C ATOM 227 NH1 ARG A 16 -4.274 -5.189 -1.069 1.00 0.00 N ATOM 228 NH2 ARG A 16 -4.259 -6.136 0.980 1.00 0.00 N ATOM 0 H ARG A 16 -6.579 -1.929 -0.345 1.00 0.00 H new ATOM 0 HA ARG A 16 -9.562 -2.119 -0.625 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -7.530 -3.585 1.130 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -9.266 -3.796 1.252 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -8.865 -5.518 -0.269 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -9.007 -4.218 -1.436 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -6.946 -5.478 -1.910 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -6.504 -3.881 -1.340 1.00 0.00 H new ATOM 0 HE ARG A 16 -6.698 -5.732 0.924 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -4.785 -4.755 -1.838 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -3.263 -5.312 -1.133 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -4.758 -6.444 1.815 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -3.248 -6.258 0.915 1.00 0.00 H new ATOM 242 N GLU A 17 -10.065 -0.763 1.415 1.00 0.00 N ATOM 243 CA GLU A 17 -10.332 0.203 2.519 1.00 0.00 C ATOM 244 C GLU A 17 -10.651 -0.568 3.801 1.00 0.00 C ATOM 245 O GLU A 17 -10.518 -0.056 4.896 1.00 0.00 O ATOM 246 CB GLU A 17 -11.531 1.067 2.136 1.00 0.00 C ATOM 247 CG GLU A 17 -11.780 2.111 3.226 1.00 0.00 C ATOM 248 CD GLU A 17 -12.941 3.017 2.813 1.00 0.00 C ATOM 249 OE1 GLU A 17 -13.311 2.984 1.651 1.00 0.00 O ATOM 250 OE2 GLU A 17 -13.443 3.727 3.668 1.00 0.00 O ATOM 0 H GLU A 17 -10.893 -1.078 0.909 1.00 0.00 H new ATOM 0 HA GLU A 17 -9.457 0.832 2.683 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -11.347 1.560 1.181 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -12.415 0.443 2.007 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -12.009 1.618 4.171 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -10.881 2.706 3.386 1.00 0.00 H new ATOM 257 N GLY A 18 -11.071 -1.802 3.673 1.00 0.00 N ATOM 258 CA GLY A 18 -11.399 -2.622 4.882 1.00 0.00 C ATOM 259 C GLY A 18 -10.242 -3.586 5.156 1.00 0.00 C ATOM 260 O GLY A 18 -10.329 -4.457 5.998 1.00 0.00 O ATOM 0 H GLY A 18 -11.202 -2.279 2.781 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -11.562 -1.975 5.744 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -12.323 -3.178 4.721 1.00 0.00 H new ATOM 264 N ALA A 19 -9.160 -3.437 4.437 1.00 0.00 N ATOM 265 CA ALA A 19 -7.993 -4.347 4.637 1.00 0.00 C ATOM 266 C ALA A 19 -8.441 -5.801 4.439 1.00 0.00 C ATOM 267 O ALA A 19 -7.679 -6.731 4.622 1.00 0.00 O ATOM 268 CB ALA A 19 -7.438 -4.166 6.055 1.00 0.00 C ATOM 0 H ALA A 19 -9.034 -2.724 3.719 1.00 0.00 H new ATOM 0 HA ALA A 19 -7.215 -4.106 3.913 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.586 -4.831 6.200 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -7.119 -3.133 6.192 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -8.213 -4.406 6.783 1.00 0.00 H new ATOM 274 N SER A 20 -9.675 -5.999 4.067 1.00 0.00 N ATOM 275 CA SER A 20 -10.184 -7.384 3.859 1.00 0.00 C ATOM 276 C SER A 20 -9.761 -7.905 2.483 1.00 0.00 C ATOM 277 O SER A 20 -9.480 -7.149 1.571 1.00 0.00 O ATOM 278 CB SER A 20 -11.705 -7.377 3.948 1.00 0.00 C ATOM 279 OG SER A 20 -12.100 -6.648 5.103 1.00 0.00 O ATOM 0 H SER A 20 -10.356 -5.258 3.897 1.00 0.00 H new ATOM 0 HA SER A 20 -9.767 -8.035 4.627 1.00 0.00 H new ATOM 0 HB2 SER A 20 -12.132 -6.924 3.053 1.00 0.00 H new ATOM 0 HB3 SER A 20 -12.083 -8.398 4.000 1.00 0.00 H new ATOM 0 HG SER A 20 -13.078 -6.638 5.165 1.00 0.00 H new ATOM 285 N THR A 21 -9.713 -9.199 2.335 1.00 0.00 N ATOM 286 CA THR A 21 -9.310 -9.797 1.036 1.00 0.00 C ATOM 287 C THR A 21 -10.289 -9.380 -0.063 1.00 0.00 C ATOM 288 O THR A 21 -11.373 -9.914 -0.186 1.00 0.00 O ATOM 289 CB THR A 21 -9.304 -11.322 1.168 1.00 0.00 C ATOM 290 OG1 THR A 21 -10.636 -11.784 1.349 1.00 0.00 O ATOM 291 CG2 THR A 21 -8.455 -11.722 2.374 1.00 0.00 C ATOM 0 H THR A 21 -9.938 -9.873 3.067 1.00 0.00 H new ATOM 0 HA THR A 21 -8.314 -9.444 0.770 1.00 0.00 H new ATOM 0 HB THR A 21 -8.885 -11.767 0.266 1.00 0.00 H new ATOM 0 HG1 THR A 21 -11.210 -11.412 0.647 1.00 0.00 H new ATOM 0 HG21 THR A 21 -8.449 -12.808 2.471 1.00 0.00 H new ATOM 0 HG22 THR A 21 -7.435 -11.364 2.235 1.00 0.00 H new ATOM 0 HG23 THR A 21 -8.875 -11.280 3.277 1.00 0.00 H new ATOM 299 N SER A 22 -9.896 -8.425 -0.861 1.00 0.00 N ATOM 300 CA SER A 22 -10.768 -7.943 -1.977 1.00 0.00 C ATOM 301 C SER A 22 -11.838 -6.996 -1.419 1.00 0.00 C ATOM 302 O SER A 22 -12.920 -6.867 -1.959 1.00 0.00 O ATOM 303 CB SER A 22 -11.423 -9.142 -2.690 1.00 0.00 C ATOM 304 OG SER A 22 -10.550 -10.264 -2.609 1.00 0.00 O ATOM 0 H SER A 22 -8.996 -7.950 -0.788 1.00 0.00 H new ATOM 0 HA SER A 22 -10.162 -7.401 -2.703 1.00 0.00 H new ATOM 0 HB2 SER A 22 -12.382 -9.377 -2.228 1.00 0.00 H new ATOM 0 HB3 SER A 22 -11.624 -8.896 -3.733 1.00 0.00 H new ATOM 0 HG SER A 22 -10.961 -11.031 -3.059 1.00 0.00 H new ATOM 310 N SER A 23 -11.538 -6.338 -0.333 1.00 0.00 N ATOM 311 CA SER A 23 -12.524 -5.401 0.278 1.00 0.00 C ATOM 312 C SER A 23 -12.961 -4.333 -0.736 1.00 0.00 C ATOM 313 O SER A 23 -12.844 -4.499 -1.936 1.00 0.00 O ATOM 314 CB SER A 23 -11.891 -4.729 1.506 1.00 0.00 C ATOM 315 OG SER A 23 -12.836 -4.723 2.567 1.00 0.00 O ATOM 0 H SER A 23 -10.648 -6.409 0.160 1.00 0.00 H new ATOM 0 HA SER A 23 -13.406 -5.965 0.581 1.00 0.00 H new ATOM 0 HB2 SER A 23 -10.991 -5.265 1.806 1.00 0.00 H new ATOM 0 HB3 SER A 23 -11.590 -3.710 1.264 1.00 0.00 H new ATOM 0 HG SER A 23 -13.139 -3.805 2.730 1.00 0.00 H new ATOM 321 N LYS A 24 -13.475 -3.239 -0.244 1.00 0.00 N ATOM 322 CA LYS A 24 -13.936 -2.153 -1.147 1.00 0.00 C ATOM 323 C LYS A 24 -12.746 -1.578 -1.914 1.00 0.00 C ATOM 324 O LYS A 24 -11.737 -1.203 -1.341 1.00 0.00 O ATOM 325 CB LYS A 24 -14.582 -1.050 -0.310 1.00 0.00 C ATOM 326 CG LYS A 24 -15.221 -0.009 -1.235 1.00 0.00 C ATOM 327 CD LYS A 24 -15.771 1.159 -0.408 1.00 0.00 C ATOM 328 CE LYS A 24 -17.003 0.718 0.393 1.00 0.00 C ATOM 329 NZ LYS A 24 -17.737 1.923 0.873 1.00 0.00 N ATOM 0 H LYS A 24 -13.595 -3.052 0.752 1.00 0.00 H new ATOM 0 HA LYS A 24 -14.660 -2.552 -1.857 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -15.337 -1.476 0.351 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -13.834 -0.576 0.325 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -14.483 0.356 -1.950 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -16.024 -0.467 -1.812 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -15.001 1.526 0.271 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -16.035 1.986 -1.067 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -17.655 0.105 -0.229 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -16.699 0.102 1.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -18.573 1.627 1.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -17.112 2.491 1.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -18.039 2.493 0.057 1.00 0.00 H new ATOM 343 N VAL A 25 -12.865 -1.499 -3.212 1.00 0.00 N ATOM 344 CA VAL A 25 -11.757 -0.946 -4.039 1.00 0.00 C ATOM 345 C VAL A 25 -11.972 0.555 -4.232 1.00 0.00 C ATOM 346 O VAL A 25 -12.927 0.988 -4.851 1.00 0.00 O ATOM 347 CB VAL A 25 -11.752 -1.642 -5.398 1.00 0.00 C ATOM 348 CG1 VAL A 25 -10.637 -1.061 -6.268 1.00 0.00 C ATOM 349 CG2 VAL A 25 -11.511 -3.139 -5.194 1.00 0.00 C ATOM 0 H VAL A 25 -13.688 -1.796 -3.737 1.00 0.00 H new ATOM 0 HA VAL A 25 -10.803 -1.114 -3.540 1.00 0.00 H new ATOM 0 HB VAL A 25 -12.711 -1.487 -5.891 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -10.635 -1.559 -7.238 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -10.804 0.007 -6.409 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -9.675 -1.216 -5.779 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -11.506 -3.642 -6.161 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -10.550 -3.289 -4.702 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -12.305 -3.554 -4.573 1.00 0.00 H new ATOM 359 N ILE A 26 -11.082 1.351 -3.703 1.00 0.00 N ATOM 360 CA ILE A 26 -11.195 2.832 -3.839 1.00 0.00 C ATOM 361 C ILE A 26 -10.193 3.311 -4.891 1.00 0.00 C ATOM 362 O ILE A 26 -10.144 4.478 -5.235 1.00 0.00 O ATOM 363 CB ILE A 26 -10.895 3.481 -2.482 1.00 0.00 C ATOM 364 CG1 ILE A 26 -9.510 3.041 -1.987 1.00 0.00 C ATOM 365 CG2 ILE A 26 -11.956 3.044 -1.469 1.00 0.00 C ATOM 366 CD1 ILE A 26 -9.151 3.808 -0.711 1.00 0.00 C ATOM 0 H ILE A 26 -10.270 1.033 -3.175 1.00 0.00 H new ATOM 0 HA ILE A 26 -12.201 3.111 -4.152 1.00 0.00 H new ATOM 0 HB ILE A 26 -10.910 4.565 -2.590 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -9.507 1.969 -1.792 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -8.762 3.227 -2.757 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -11.747 3.503 -0.503 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -12.941 3.359 -1.815 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -11.937 1.959 -1.367 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -8.167 3.494 -0.362 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -9.137 4.877 -0.921 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -9.893 3.600 0.060 1.00 0.00 H new ATOM 378 N GLY A 27 -9.389 2.421 -5.411 1.00 0.00 N ATOM 379 CA GLY A 27 -8.398 2.843 -6.438 1.00 0.00 C ATOM 380 C GLY A 27 -7.356 1.743 -6.663 1.00 0.00 C ATOM 381 O GLY A 27 -7.547 0.599 -6.296 1.00 0.00 O ATOM 0 H GLY A 27 -9.377 1.430 -5.170 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -8.909 3.065 -7.375 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.904 3.761 -6.119 1.00 0.00 H new ATOM 385 N SER A 28 -6.248 2.087 -7.268 1.00 0.00 N ATOM 386 CA SER A 28 -5.182 1.074 -7.527 1.00 0.00 C ATOM 387 C SER A 28 -3.828 1.780 -7.619 1.00 0.00 C ATOM 388 O SER A 28 -3.756 2.984 -7.780 1.00 0.00 O ATOM 389 CB SER A 28 -5.465 0.350 -8.845 1.00 0.00 C ATOM 390 OG SER A 28 -5.375 1.280 -9.917 1.00 0.00 O ATOM 0 H SER A 28 -6.035 3.030 -7.595 1.00 0.00 H new ATOM 0 HA SER A 28 -5.167 0.349 -6.713 1.00 0.00 H new ATOM 0 HB2 SER A 28 -4.750 -0.460 -8.990 1.00 0.00 H new ATOM 0 HB3 SER A 28 -6.457 -0.101 -8.821 1.00 0.00 H new ATOM 0 HG SER A 28 -5.554 0.821 -10.764 1.00 0.00 H new ATOM 396 N LEU A 29 -2.751 1.037 -7.512 1.00 0.00 N ATOM 397 CA LEU A 29 -1.386 1.648 -7.579 1.00 0.00 C ATOM 398 C LEU A 29 -0.563 0.971 -8.675 1.00 0.00 C ATOM 399 O LEU A 29 -0.701 -0.209 -8.943 1.00 0.00 O ATOM 400 CB LEU A 29 -0.689 1.454 -6.234 1.00 0.00 C ATOM 401 CG LEU A 29 -1.515 2.115 -5.125 1.00 0.00 C ATOM 402 CD1 LEU A 29 -0.852 1.843 -3.772 1.00 0.00 C ATOM 403 CD2 LEU A 29 -1.604 3.635 -5.364 1.00 0.00 C ATOM 0 H LEU A 29 -2.761 0.026 -7.380 1.00 0.00 H new ATOM 0 HA LEU A 29 -1.476 2.710 -7.805 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -0.568 0.391 -6.026 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.310 1.889 -6.265 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.523 1.699 -5.131 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.436 2.311 -2.980 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.804 0.768 -3.600 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.157 2.256 -3.772 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.193 4.094 -4.570 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.601 4.062 -5.365 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.081 3.825 -6.326 1.00 0.00 H new ATOM 415 N SER A 30 0.290 1.723 -9.316 1.00 0.00 N ATOM 416 CA SER A 30 1.132 1.162 -10.408 1.00 0.00 C ATOM 417 C SER A 30 2.373 0.476 -9.827 1.00 0.00 C ATOM 418 O SER A 30 2.748 0.685 -8.689 1.00 0.00 O ATOM 419 CB SER A 30 1.563 2.296 -11.336 1.00 0.00 C ATOM 420 OG SER A 30 0.480 2.640 -12.186 1.00 0.00 O ATOM 0 H SER A 30 0.440 2.714 -9.126 1.00 0.00 H new ATOM 0 HA SER A 30 0.553 0.424 -10.963 1.00 0.00 H new ATOM 0 HB2 SER A 30 1.872 3.163 -10.752 1.00 0.00 H new ATOM 0 HB3 SER A 30 2.424 1.989 -11.930 1.00 0.00 H new ATOM 0 HG SER A 30 0.751 3.369 -12.783 1.00 0.00 H new ATOM 426 N GLY A 31 2.999 -0.355 -10.613 1.00 0.00 N ATOM 427 CA GLY A 31 4.211 -1.086 -10.146 1.00 0.00 C ATOM 428 C GLY A 31 5.377 -0.127 -9.869 1.00 0.00 C ATOM 429 O GLY A 31 5.432 0.979 -10.374 1.00 0.00 O ATOM 0 H GLY A 31 2.719 -0.562 -11.572 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.974 -1.643 -9.240 1.00 0.00 H new ATOM 0 HA3 GLY A 31 4.510 -1.815 -10.899 1.00 0.00 H new ATOM 433 N ASN A 32 6.311 -0.569 -9.064 1.00 0.00 N ATOM 434 CA ASN A 32 7.500 0.268 -8.718 1.00 0.00 C ATOM 435 C ASN A 32 7.049 1.569 -8.052 1.00 0.00 C ATOM 436 O ASN A 32 7.853 2.404 -7.684 1.00 0.00 O ATOM 437 CB ASN A 32 8.301 0.586 -9.988 1.00 0.00 C ATOM 438 CG ASN A 32 9.616 1.266 -9.598 1.00 0.00 C ATOM 439 OD1 ASN A 32 9.702 2.478 -9.577 1.00 0.00 O ATOM 440 ND2 ASN A 32 10.649 0.532 -9.288 1.00 0.00 N ATOM 0 H ASN A 32 6.299 -1.490 -8.625 1.00 0.00 H new ATOM 0 HA ASN A 32 8.132 -0.286 -8.024 1.00 0.00 H new ATOM 0 HB2 ASN A 32 8.502 -0.330 -10.544 1.00 0.00 H new ATOM 0 HB3 ASN A 32 7.722 1.236 -10.644 1.00 0.00 H new ATOM 0 HD21 ASN A 32 11.530 0.975 -9.028 1.00 0.00 H new ATOM 0 HD22 ASN A 32 10.576 -0.485 -9.306 1.00 0.00 H new ATOM 447 N THR A 33 5.770 1.747 -7.892 1.00 0.00 N ATOM 448 CA THR A 33 5.263 2.992 -7.249 1.00 0.00 C ATOM 449 C THR A 33 5.564 2.981 -5.746 1.00 0.00 C ATOM 450 O THR A 33 5.467 1.963 -5.079 1.00 0.00 O ATOM 451 CB THR A 33 3.756 3.099 -7.471 1.00 0.00 C ATOM 452 OG1 THR A 33 3.480 2.971 -8.859 1.00 0.00 O ATOM 453 CG2 THR A 33 3.260 4.459 -6.975 1.00 0.00 C ATOM 0 H THR A 33 5.050 1.083 -8.179 1.00 0.00 H new ATOM 0 HA THR A 33 5.763 3.850 -7.697 1.00 0.00 H new ATOM 0 HB THR A 33 3.247 2.308 -6.920 1.00 0.00 H new ATOM 0 HG1 THR A 33 3.710 2.066 -9.156 1.00 0.00 H new ATOM 0 HG21 THR A 33 2.184 4.534 -7.134 1.00 0.00 H new ATOM 0 HG22 THR A 33 3.478 4.560 -5.912 1.00 0.00 H new ATOM 0 HG23 THR A 33 3.764 5.253 -7.525 1.00 0.00 H new ATOM 461 N LYS A 34 5.931 4.117 -5.211 1.00 0.00 N ATOM 462 CA LYS A 34 6.240 4.211 -3.756 1.00 0.00 C ATOM 463 C LYS A 34 4.955 4.497 -2.976 1.00 0.00 C ATOM 464 O LYS A 34 4.080 5.202 -3.442 1.00 0.00 O ATOM 465 CB LYS A 34 7.239 5.347 -3.529 1.00 0.00 C ATOM 466 CG LYS A 34 8.597 4.951 -4.108 1.00 0.00 C ATOM 467 CD LYS A 34 9.602 6.084 -3.884 1.00 0.00 C ATOM 468 CE LYS A 34 10.968 5.671 -4.437 1.00 0.00 C ATOM 469 NZ LYS A 34 11.943 6.781 -4.235 1.00 0.00 N ATOM 0 H LYS A 34 6.030 4.991 -5.727 1.00 0.00 H new ATOM 0 HA LYS A 34 6.668 3.270 -3.411 1.00 0.00 H new ATOM 0 HB2 LYS A 34 6.881 6.261 -4.003 1.00 0.00 H new ATOM 0 HB3 LYS A 34 7.333 5.557 -2.463 1.00 0.00 H new ATOM 0 HG2 LYS A 34 8.953 4.037 -3.633 1.00 0.00 H new ATOM 0 HG3 LYS A 34 8.502 4.741 -5.173 1.00 0.00 H new ATOM 0 HD2 LYS A 34 9.258 6.993 -4.378 1.00 0.00 H new ATOM 0 HD3 LYS A 34 9.681 6.309 -2.820 1.00 0.00 H new ATOM 0 HE2 LYS A 34 11.318 4.769 -3.934 1.00 0.00 H new ATOM 0 HE3 LYS A 34 10.886 5.433 -5.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 12.871 6.500 -4.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 11.610 7.631 -4.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 12.029 6.987 -3.219 1.00 0.00 H new ATOM 483 N VAL A 35 4.834 3.949 -1.788 1.00 0.00 N ATOM 484 CA VAL A 35 3.604 4.179 -0.962 1.00 0.00 C ATOM 485 C VAL A 35 3.994 4.710 0.419 1.00 0.00 C ATOM 486 O VAL A 35 4.873 4.189 1.080 1.00 0.00 O ATOM 487 CB VAL A 35 2.836 2.861 -0.818 1.00 0.00 C ATOM 488 CG1 VAL A 35 2.086 2.576 -2.117 1.00 0.00 C ATOM 489 CG2 VAL A 35 3.815 1.717 -0.542 1.00 0.00 C ATOM 0 H VAL A 35 5.537 3.351 -1.354 1.00 0.00 H new ATOM 0 HA VAL A 35 2.970 4.916 -1.455 1.00 0.00 H new ATOM 0 HB VAL A 35 2.132 2.941 0.010 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.537 1.639 -2.022 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.387 3.388 -2.319 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.798 2.498 -2.939 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.263 0.782 -0.441 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.520 1.634 -1.369 1.00 0.00 H new ATOM 0 HG23 VAL A 35 4.360 1.919 0.380 1.00 0.00 H new ATOM 499 N THR A 36 3.338 5.755 0.851 1.00 0.00 N ATOM 500 CA THR A 36 3.647 6.346 2.180 1.00 0.00 C ATOM 501 C THR A 36 3.114 5.429 3.278 1.00 0.00 C ATOM 502 O THR A 36 1.924 5.383 3.542 1.00 0.00 O ATOM 503 CB THR A 36 2.970 7.712 2.284 1.00 0.00 C ATOM 504 OG1 THR A 36 3.314 8.492 1.148 1.00 0.00 O ATOM 505 CG2 THR A 36 3.434 8.424 3.555 1.00 0.00 C ATOM 0 H THR A 36 2.596 6.226 0.333 1.00 0.00 H new ATOM 0 HA THR A 36 4.725 6.458 2.295 1.00 0.00 H new ATOM 0 HB THR A 36 1.889 7.580 2.324 1.00 0.00 H new ATOM 0 HG1 THR A 36 2.880 9.369 1.210 1.00 0.00 H new ATOM 0 HG21 THR A 36 2.949 9.397 3.625 1.00 0.00 H new ATOM 0 HG22 THR A 36 3.170 7.824 4.426 1.00 0.00 H new ATOM 0 HG23 THR A 36 4.515 8.559 3.522 1.00 0.00 H new ATOM 513 N ILE A 37 3.994 4.699 3.917 1.00 0.00 N ATOM 514 CA ILE A 37 3.575 3.767 5.004 1.00 0.00 C ATOM 515 C ILE A 37 3.877 4.398 6.362 1.00 0.00 C ATOM 516 O ILE A 37 4.965 4.887 6.610 1.00 0.00 O ATOM 517 CB ILE A 37 4.351 2.457 4.869 1.00 0.00 C ATOM 518 CG1 ILE A 37 3.968 1.778 3.553 1.00 0.00 C ATOM 519 CG2 ILE A 37 4.002 1.535 6.039 1.00 0.00 C ATOM 520 CD1 ILE A 37 4.955 0.651 3.239 1.00 0.00 C ATOM 0 H ILE A 37 4.996 4.711 3.728 1.00 0.00 H new ATOM 0 HA ILE A 37 2.506 3.571 4.926 1.00 0.00 H new ATOM 0 HB ILE A 37 5.421 2.663 4.877 1.00 0.00 H new ATOM 0 HG12 ILE A 37 2.956 1.378 3.622 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.968 2.508 2.744 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.555 0.601 5.943 1.00 0.00 H new ATOM 0 HG22 ILE A 37 4.270 2.021 6.977 1.00 0.00 H new ATOM 0 HG23 ILE A 37 2.932 1.326 6.031 1.00 0.00 H new ATOM 0 HD11 ILE A 37 4.675 0.173 2.300 1.00 0.00 H new ATOM 0 HD12 ILE A 37 5.961 1.062 3.151 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.933 -0.086 4.042 1.00 0.00 H new ATOM 532 N VAL A 38 2.913 4.389 7.246 1.00 0.00 N ATOM 533 CA VAL A 38 3.111 4.977 8.602 1.00 0.00 C ATOM 534 C VAL A 38 2.425 4.082 9.636 1.00 0.00 C ATOM 535 O VAL A 38 2.982 3.763 10.670 1.00 0.00 O ATOM 536 CB VAL A 38 2.483 6.378 8.647 1.00 0.00 C ATOM 537 CG1 VAL A 38 3.109 7.254 7.562 1.00 0.00 C ATOM 538 CG2 VAL A 38 0.969 6.276 8.409 1.00 0.00 C ATOM 0 H VAL A 38 1.987 3.994 7.083 1.00 0.00 H new ATOM 0 HA VAL A 38 4.176 5.049 8.822 1.00 0.00 H new ATOM 0 HB VAL A 38 2.666 6.822 9.626 1.00 0.00 H new ATOM 0 HG11 VAL A 38 2.663 8.248 7.595 1.00 0.00 H new ATOM 0 HG12 VAL A 38 4.183 7.332 7.732 1.00 0.00 H new ATOM 0 HG13 VAL A 38 2.928 6.807 6.584 1.00 0.00 H new ATOM 0 HG21 VAL A 38 0.528 7.272 8.442 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.784 5.829 7.432 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.520 5.655 9.184 1.00 0.00 H new ATOM 548 N GLY A 39 1.209 3.682 9.367 1.00 0.00 N ATOM 549 CA GLY A 39 0.465 2.818 10.332 1.00 0.00 C ATOM 550 C GLY A 39 0.618 1.345 9.954 1.00 0.00 C ATOM 551 O GLY A 39 1.023 1.011 8.857 1.00 0.00 O ATOM 0 H GLY A 39 0.697 3.918 8.517 1.00 0.00 H new ATOM 0 HA2 GLY A 39 0.841 2.982 11.342 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.590 3.091 10.336 1.00 0.00 H new ATOM 555 N GLU A 40 0.289 0.455 10.861 1.00 0.00 N ATOM 556 CA GLU A 40 0.400 -1.002 10.572 1.00 0.00 C ATOM 557 C GLU A 40 -0.856 -1.719 11.064 1.00 0.00 C ATOM 558 O GLU A 40 -1.446 -1.357 12.065 1.00 0.00 O ATOM 559 CB GLU A 40 1.622 -1.567 11.296 1.00 0.00 C ATOM 560 CG GLU A 40 1.894 -2.995 10.819 1.00 0.00 C ATOM 561 CD GLU A 40 0.887 -3.957 11.457 1.00 0.00 C ATOM 562 OE1 GLU A 40 0.462 -3.691 12.569 1.00 0.00 O ATOM 563 OE2 GLU A 40 0.557 -4.944 10.819 1.00 0.00 O ATOM 0 H GLU A 40 -0.054 0.682 11.794 1.00 0.00 H new ATOM 0 HA GLU A 40 0.506 -1.153 9.498 1.00 0.00 H new ATOM 0 HB2 GLU A 40 2.492 -0.938 11.105 1.00 0.00 H new ATOM 0 HB3 GLU A 40 1.454 -1.560 12.373 1.00 0.00 H new ATOM 0 HG2 GLU A 40 1.821 -3.045 9.733 1.00 0.00 H new ATOM 0 HG3 GLU A 40 2.910 -3.289 11.084 1.00 0.00 H new ATOM 570 N GLU A 41 -1.264 -2.743 10.366 1.00 0.00 N ATOM 571 CA GLU A 41 -2.476 -3.500 10.783 1.00 0.00 C ATOM 572 C GLU A 41 -2.378 -4.941 10.270 1.00 0.00 C ATOM 573 O GLU A 41 -2.498 -5.207 9.090 1.00 0.00 O ATOM 574 CB GLU A 41 -3.725 -2.832 10.201 1.00 0.00 C ATOM 575 CG GLU A 41 -4.973 -3.580 10.675 1.00 0.00 C ATOM 576 CD GLU A 41 -6.224 -2.869 10.157 1.00 0.00 C ATOM 577 OE1 GLU A 41 -6.083 -2.004 9.310 1.00 0.00 O ATOM 578 OE2 GLU A 41 -7.304 -3.204 10.617 1.00 0.00 O ATOM 0 H GLU A 41 -0.808 -3.089 9.522 1.00 0.00 H new ATOM 0 HA GLU A 41 -2.544 -3.505 11.871 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.772 -1.789 10.515 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.678 -2.835 9.112 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.952 -4.609 10.315 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.992 -3.624 11.764 1.00 0.00 H new ATOM 585 N GLY A 42 -2.172 -5.871 11.163 1.00 0.00 N ATOM 586 CA GLY A 42 -2.079 -7.309 10.770 1.00 0.00 C ATOM 587 C GLY A 42 -1.126 -7.501 9.586 1.00 0.00 C ATOM 588 O GLY A 42 -0.097 -6.861 9.477 1.00 0.00 O ATOM 0 H GLY A 42 -2.063 -5.694 12.162 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.732 -7.899 11.619 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -3.069 -7.681 10.507 1.00 0.00 H new ATOM 592 N ALA A 43 -1.469 -8.394 8.699 1.00 0.00 N ATOM 593 CA ALA A 43 -0.606 -8.654 7.517 1.00 0.00 C ATOM 594 C ALA A 43 -0.896 -7.596 6.456 1.00 0.00 C ATOM 595 O ALA A 43 -0.752 -7.828 5.270 1.00 0.00 O ATOM 596 CB ALA A 43 -0.916 -10.046 6.965 1.00 0.00 C ATOM 0 H ALA A 43 -2.318 -8.958 8.745 1.00 0.00 H new ATOM 0 HA ALA A 43 0.446 -8.608 7.799 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.286 -10.242 6.098 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.719 -10.794 7.733 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.964 -10.095 6.670 1.00 0.00 H new ATOM 602 N PHE A 44 -1.308 -6.427 6.880 1.00 0.00 N ATOM 603 CA PHE A 44 -1.611 -5.329 5.914 1.00 0.00 C ATOM 604 C PHE A 44 -0.976 -4.036 6.412 1.00 0.00 C ATOM 605 O PHE A 44 -0.989 -3.739 7.592 1.00 0.00 O ATOM 606 CB PHE A 44 -3.124 -5.136 5.811 1.00 0.00 C ATOM 607 CG PHE A 44 -3.767 -6.417 5.342 1.00 0.00 C ATOM 608 CD1 PHE A 44 -3.865 -6.692 3.973 1.00 0.00 C ATOM 609 CD2 PHE A 44 -4.268 -7.330 6.277 1.00 0.00 C ATOM 610 CE1 PHE A 44 -4.466 -7.879 3.539 1.00 0.00 C ATOM 611 CE2 PHE A 44 -4.871 -8.516 5.843 1.00 0.00 C ATOM 612 CZ PHE A 44 -4.968 -8.791 4.474 1.00 0.00 C ATOM 0 H PHE A 44 -1.448 -6.186 7.861 1.00 0.00 H new ATOM 0 HA PHE A 44 -1.211 -5.588 4.934 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -3.531 -4.847 6.780 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -3.351 -4.328 5.116 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -3.477 -5.988 3.252 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -4.189 -7.119 7.333 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -4.542 -8.091 2.483 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -5.261 -9.219 6.564 1.00 0.00 H new ATOM 0 HZ PHE A 44 -5.431 -9.708 4.139 1.00 0.00 H new ATOM 622 N TYR A 45 -0.427 -3.257 5.518 1.00 0.00 N ATOM 623 CA TYR A 45 0.207 -1.968 5.921 1.00 0.00 C ATOM 624 C TYR A 45 -0.751 -0.821 5.622 1.00 0.00 C ATOM 625 O TYR A 45 -1.464 -0.826 4.632 1.00 0.00 O ATOM 626 CB TYR A 45 1.514 -1.767 5.136 1.00 0.00 C ATOM 627 CG TYR A 45 2.629 -2.554 5.788 1.00 0.00 C ATOM 628 CD1 TYR A 45 3.053 -2.212 7.078 1.00 0.00 C ATOM 629 CD2 TYR A 45 3.235 -3.619 5.113 1.00 0.00 C ATOM 630 CE1 TYR A 45 4.082 -2.933 7.690 1.00 0.00 C ATOM 631 CE2 TYR A 45 4.266 -4.341 5.727 1.00 0.00 C ATOM 632 CZ TYR A 45 4.689 -3.998 7.016 1.00 0.00 C ATOM 633 OH TYR A 45 5.703 -4.708 7.622 1.00 0.00 O ATOM 0 H TYR A 45 -0.390 -3.460 4.519 1.00 0.00 H new ATOM 0 HA TYR A 45 0.429 -1.989 6.988 1.00 0.00 H new ATOM 0 HB2 TYR A 45 1.383 -2.092 4.104 1.00 0.00 H new ATOM 0 HB3 TYR A 45 1.772 -0.708 5.107 1.00 0.00 H new ATOM 0 HD1 TYR A 45 2.585 -1.391 7.600 1.00 0.00 H new ATOM 0 HD2 TYR A 45 2.908 -3.884 4.119 1.00 0.00 H new ATOM 0 HE1 TYR A 45 4.409 -2.668 8.685 1.00 0.00 H new ATOM 0 HE2 TYR A 45 4.735 -5.163 5.206 1.00 0.00 H new ATOM 0 HH TYR A 45 6.014 -5.415 7.018 1.00 0.00 H new ATOM 643 N LYS A 46 -0.777 0.163 6.480 1.00 0.00 N ATOM 644 CA LYS A 46 -1.689 1.317 6.270 1.00 0.00 C ATOM 645 C LYS A 46 -0.962 2.387 5.463 1.00 0.00 C ATOM 646 O LYS A 46 0.140 2.787 5.790 1.00 0.00 O ATOM 647 CB LYS A 46 -2.096 1.891 7.625 1.00 0.00 C ATOM 648 CG LYS A 46 -3.119 3.007 7.417 1.00 0.00 C ATOM 649 CD LYS A 46 -3.618 3.506 8.775 1.00 0.00 C ATOM 650 CE LYS A 46 -4.666 4.598 8.562 1.00 0.00 C ATOM 651 NZ LYS A 46 -4.057 5.736 7.817 1.00 0.00 N ATOM 0 H LYS A 46 -0.202 0.215 7.321 1.00 0.00 H new ATOM 0 HA LYS A 46 -2.579 0.992 5.731 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.520 1.107 8.252 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -1.220 2.278 8.146 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.668 3.828 6.860 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -3.956 2.641 6.823 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.047 2.680 9.343 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.785 3.896 9.360 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -5.514 4.199 8.006 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.048 4.942 9.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -4.336 6.633 8.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -3.021 5.648 7.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -4.389 5.723 6.831 1.00 0.00 H new ATOM 665 N ILE A 47 -1.576 2.854 4.404 1.00 0.00 N ATOM 666 CA ILE A 47 -0.941 3.900 3.548 1.00 0.00 C ATOM 667 C ILE A 47 -1.885 5.085 3.379 1.00 0.00 C ATOM 668 O ILE A 47 -3.094 4.954 3.442 1.00 0.00 O ATOM 669 CB ILE A 47 -0.612 3.303 2.176 1.00 0.00 C ATOM 670 CG1 ILE A 47 -1.868 2.674 1.561 1.00 0.00 C ATOM 671 CG2 ILE A 47 0.470 2.240 2.339 1.00 0.00 C ATOM 672 CD1 ILE A 47 -1.589 2.292 0.106 1.00 0.00 C ATOM 0 H ILE A 47 -2.499 2.551 4.094 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.025 4.245 4.026 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.255 4.092 1.514 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.161 1.792 2.130 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.700 3.376 1.610 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.708 1.811 1.366 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.365 2.694 2.765 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.111 1.454 3.003 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.482 1.845 -0.330 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -1.317 3.184 -0.458 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.769 1.575 0.069 1.00 0.00 H new ATOM 684 N GLU A 48 -1.335 6.250 3.168 1.00 0.00 N ATOM 685 CA GLU A 48 -2.189 7.460 2.996 1.00 0.00 C ATOM 686 C GLU A 48 -2.647 7.565 1.536 1.00 0.00 C ATOM 687 O GLU A 48 -1.974 8.133 0.696 1.00 0.00 O ATOM 688 CB GLU A 48 -1.378 8.696 3.383 1.00 0.00 C ATOM 689 CG GLU A 48 -1.132 8.678 4.895 1.00 0.00 C ATOM 690 CD GLU A 48 -0.258 9.870 5.290 1.00 0.00 C ATOM 691 OE1 GLU A 48 0.116 10.622 4.406 1.00 0.00 O ATOM 692 OE2 GLU A 48 0.022 10.009 6.469 1.00 0.00 O ATOM 0 H GLU A 48 -0.330 6.416 3.107 1.00 0.00 H new ATOM 0 HA GLU A 48 -3.070 7.388 3.634 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.429 8.706 2.847 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.914 9.602 3.100 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.082 8.719 5.428 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.645 7.746 5.183 1.00 0.00 H new ATOM 699 N TYR A 49 -3.792 7.012 1.230 1.00 0.00 N ATOM 700 CA TYR A 49 -4.305 7.059 -0.169 1.00 0.00 C ATOM 701 C TYR A 49 -4.932 8.427 -0.455 1.00 0.00 C ATOM 702 O TYR A 49 -5.567 9.027 0.391 1.00 0.00 O ATOM 703 CB TYR A 49 -5.352 5.961 -0.359 1.00 0.00 C ATOM 704 CG TYR A 49 -5.812 5.945 -1.795 1.00 0.00 C ATOM 705 CD1 TYR A 49 -5.070 5.248 -2.758 1.00 0.00 C ATOM 706 CD2 TYR A 49 -6.976 6.627 -2.167 1.00 0.00 C ATOM 707 CE1 TYR A 49 -5.493 5.235 -4.091 1.00 0.00 C ATOM 708 CE2 TYR A 49 -7.400 6.611 -3.501 1.00 0.00 C ATOM 709 CZ TYR A 49 -6.658 5.915 -4.464 1.00 0.00 C ATOM 710 OH TYR A 49 -7.073 5.903 -5.779 1.00 0.00 O ATOM 0 H TYR A 49 -4.396 6.527 1.894 1.00 0.00 H new ATOM 0 HA TYR A 49 -3.478 6.901 -0.861 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -4.931 4.992 -0.091 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -6.200 6.134 0.303 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -4.172 4.721 -2.471 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -7.547 7.166 -1.425 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -4.920 4.700 -4.833 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -8.299 7.135 -3.788 1.00 0.00 H new ATOM 0 HH TYR A 49 -7.900 6.422 -5.866 1.00 0.00 H new ATOM 720 N LYS A 50 -4.738 8.926 -1.644 1.00 0.00 N ATOM 721 CA LYS A 50 -5.292 10.262 -2.008 1.00 0.00 C ATOM 722 C LYS A 50 -6.814 10.274 -1.836 1.00 0.00 C ATOM 723 O LYS A 50 -7.558 9.869 -2.711 1.00 0.00 O ATOM 724 CB LYS A 50 -4.940 10.553 -3.465 1.00 0.00 C ATOM 725 CG LYS A 50 -3.426 10.414 -3.669 1.00 0.00 C ATOM 726 CD LYS A 50 -2.685 11.476 -2.850 1.00 0.00 C ATOM 727 CE LYS A 50 -1.246 11.602 -3.352 1.00 0.00 C ATOM 728 NZ LYS A 50 -0.545 12.654 -2.564 1.00 0.00 N ATOM 0 H LYS A 50 -4.215 8.462 -2.386 1.00 0.00 H new ATOM 0 HA LYS A 50 -4.864 11.023 -1.355 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -5.470 9.863 -4.122 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -5.262 11.559 -3.733 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -3.100 9.418 -3.368 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.182 10.523 -4.726 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -3.195 12.436 -2.934 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.690 11.204 -1.794 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -0.728 10.648 -3.251 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -1.238 11.858 -4.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.435 12.745 -2.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -1.037 13.562 -2.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -0.542 12.390 -1.558 1.00 0.00 H new ATOM 742 N GLY A 51 -7.276 10.757 -0.708 1.00 0.00 N ATOM 743 CA GLY A 51 -8.746 10.829 -0.436 1.00 0.00 C ATOM 744 C GLY A 51 -9.057 10.066 0.852 1.00 0.00 C ATOM 745 O GLY A 51 -9.915 10.452 1.622 1.00 0.00 O ATOM 0 H GLY A 51 -6.688 11.110 0.047 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.060 11.869 -0.342 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.304 10.402 -1.270 1.00 0.00 H new ATOM 749 N SER A 52 -8.367 8.986 1.101 1.00 0.00 N ATOM 750 CA SER A 52 -8.635 8.210 2.346 1.00 0.00 C ATOM 751 C SER A 52 -7.422 7.343 2.686 1.00 0.00 C ATOM 752 O SER A 52 -6.332 7.553 2.187 1.00 0.00 O ATOM 753 CB SER A 52 -9.848 7.309 2.130 1.00 0.00 C ATOM 754 OG SER A 52 -9.601 6.460 1.017 1.00 0.00 O ATOM 0 H SER A 52 -7.634 8.609 0.500 1.00 0.00 H new ATOM 0 HA SER A 52 -8.829 8.902 3.165 1.00 0.00 H new ATOM 0 HB2 SER A 52 -10.039 6.714 3.023 1.00 0.00 H new ATOM 0 HB3 SER A 52 -10.738 7.912 1.953 1.00 0.00 H new ATOM 0 HG SER A 52 -10.375 5.877 0.872 1.00 0.00 H new ATOM 760 N HIS A 53 -7.610 6.358 3.534 1.00 0.00 N ATOM 761 CA HIS A 53 -6.482 5.453 3.919 1.00 0.00 C ATOM 762 C HIS A 53 -6.668 4.095 3.241 1.00 0.00 C ATOM 763 O HIS A 53 -7.644 3.400 3.461 1.00 0.00 O ATOM 764 CB HIS A 53 -6.476 5.271 5.433 1.00 0.00 C ATOM 765 CG HIS A 53 -6.172 6.590 6.090 1.00 0.00 C ATOM 766 ND1 HIS A 53 -4.923 7.184 6.004 1.00 0.00 N ATOM 767 CD2 HIS A 53 -6.940 7.439 6.848 1.00 0.00 C ATOM 768 CE1 HIS A 53 -4.975 8.339 6.694 1.00 0.00 C ATOM 769 NE2 HIS A 53 -6.183 8.542 7.229 1.00 0.00 N ATOM 0 H HIS A 53 -8.503 6.142 3.978 1.00 0.00 H new ATOM 0 HA HIS A 53 -5.535 5.890 3.602 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -7.443 4.898 5.770 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -5.731 4.529 5.719 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -7.975 7.275 7.109 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -4.142 9.018 6.802 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -6.485 9.335 7.795 1.00 0.00 H new ATOM 777 N GLY A 54 -5.737 3.716 2.407 1.00 0.00 N ATOM 778 CA GLY A 54 -5.839 2.411 1.694 1.00 0.00 C ATOM 779 C GLY A 54 -5.043 1.343 2.443 1.00 0.00 C ATOM 780 O GLY A 54 -4.193 1.644 3.261 1.00 0.00 O ATOM 0 H GLY A 54 -4.903 4.260 2.188 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -6.884 2.110 1.617 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.460 2.512 0.677 1.00 0.00 H new ATOM 784 N TYR A 55 -5.310 0.091 2.161 1.00 0.00 N ATOM 785 CA TYR A 55 -4.577 -1.024 2.836 1.00 0.00 C ATOM 786 C TYR A 55 -3.985 -1.957 1.782 1.00 0.00 C ATOM 787 O TYR A 55 -4.628 -2.298 0.805 1.00 0.00 O ATOM 788 CB TYR A 55 -5.546 -1.800 3.722 1.00 0.00 C ATOM 789 CG TYR A 55 -5.911 -0.947 4.911 1.00 0.00 C ATOM 790 CD1 TYR A 55 -5.023 -0.841 5.988 1.00 0.00 C ATOM 791 CD2 TYR A 55 -7.130 -0.260 4.937 1.00 0.00 C ATOM 792 CE1 TYR A 55 -5.356 -0.051 7.093 1.00 0.00 C ATOM 793 CE2 TYR A 55 -7.462 0.531 6.042 1.00 0.00 C ATOM 794 CZ TYR A 55 -6.574 0.636 7.120 1.00 0.00 C ATOM 795 OH TYR A 55 -6.901 1.416 8.210 1.00 0.00 O ATOM 0 H TYR A 55 -6.012 -0.208 1.485 1.00 0.00 H new ATOM 0 HA TYR A 55 -3.772 -0.616 3.448 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -6.441 -2.065 3.159 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -5.090 -2.733 4.053 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -4.081 -1.369 5.966 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -7.814 -0.340 4.105 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -4.673 0.029 7.925 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -8.403 1.061 6.064 1.00 0.00 H new ATOM 0 HH TYR A 55 -7.780 1.825 8.068 1.00 0.00 H new ATOM 805 N VAL A 56 -2.757 -2.370 1.976 1.00 0.00 N ATOM 806 CA VAL A 56 -2.093 -3.286 0.997 1.00 0.00 C ATOM 807 C VAL A 56 -1.403 -4.426 1.747 1.00 0.00 C ATOM 808 O VAL A 56 -0.768 -4.224 2.766 1.00 0.00 O ATOM 809 CB VAL A 56 -1.062 -2.504 0.182 1.00 0.00 C ATOM 810 CG1 VAL A 56 -1.788 -1.540 -0.754 1.00 0.00 C ATOM 811 CG2 VAL A 56 -0.150 -1.713 1.124 1.00 0.00 C ATOM 0 H VAL A 56 -2.182 -2.110 2.777 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.843 -3.702 0.324 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.458 -3.198 -0.402 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.057 -0.980 -1.337 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -2.434 -2.104 -1.427 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -2.391 -0.848 -0.167 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.583 -1.157 0.539 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.749 -1.017 1.711 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.366 -2.401 1.793 1.00 0.00 H new ATOM 821 N ALA A 57 -1.531 -5.626 1.253 1.00 0.00 N ATOM 822 CA ALA A 57 -0.898 -6.795 1.926 1.00 0.00 C ATOM 823 C ALA A 57 0.626 -6.718 1.805 1.00 0.00 C ATOM 824 O ALA A 57 1.161 -6.228 0.831 1.00 0.00 O ATOM 825 CB ALA A 57 -1.401 -8.082 1.275 1.00 0.00 C ATOM 0 H ALA A 57 -2.052 -5.849 0.405 1.00 0.00 H new ATOM 0 HA ALA A 57 -1.165 -6.786 2.983 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -0.941 -8.941 1.764 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -2.484 -8.143 1.379 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -1.137 -8.082 0.217 1.00 0.00 H new ATOM 831 N LYS A 58 1.323 -7.200 2.797 1.00 0.00 N ATOM 832 CA LYS A 58 2.814 -7.164 2.766 1.00 0.00 C ATOM 833 C LYS A 58 3.330 -8.031 1.607 1.00 0.00 C ATOM 834 O LYS A 58 4.505 -8.037 1.293 1.00 0.00 O ATOM 835 CB LYS A 58 3.351 -7.712 4.090 1.00 0.00 C ATOM 836 CG LYS A 58 2.534 -7.141 5.250 1.00 0.00 C ATOM 837 CD LYS A 58 3.243 -7.438 6.574 1.00 0.00 C ATOM 838 CE LYS A 58 3.327 -8.954 6.798 1.00 0.00 C ATOM 839 NZ LYS A 58 4.516 -9.490 6.076 1.00 0.00 N ATOM 0 H LYS A 58 0.921 -7.621 3.635 1.00 0.00 H new ATOM 0 HA LYS A 58 3.153 -6.138 2.623 1.00 0.00 H new ATOM 0 HB2 LYS A 58 3.296 -8.801 4.094 1.00 0.00 H new ATOM 0 HB3 LYS A 58 4.402 -7.446 4.206 1.00 0.00 H new ATOM 0 HG2 LYS A 58 2.410 -6.065 5.126 1.00 0.00 H new ATOM 0 HG3 LYS A 58 1.536 -7.578 5.255 1.00 0.00 H new ATOM 0 HD2 LYS A 58 4.245 -7.008 6.564 1.00 0.00 H new ATOM 0 HD3 LYS A 58 2.704 -6.970 7.397 1.00 0.00 H new ATOM 0 HE2 LYS A 58 3.404 -9.173 7.863 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.419 -9.438 6.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 4.202 -10.104 5.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 5.073 -8.701 5.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 5.104 -10.040 6.735 1.00 0.00 H new ATOM 853 N GLU A 59 2.461 -8.775 0.980 1.00 0.00 N ATOM 854 CA GLU A 59 2.894 -9.650 -0.151 1.00 0.00 C ATOM 855 C GLU A 59 3.302 -8.793 -1.353 1.00 0.00 C ATOM 856 O GLU A 59 4.215 -9.121 -2.087 1.00 0.00 O ATOM 857 CB GLU A 59 1.736 -10.562 -0.550 1.00 0.00 C ATOM 858 CG GLU A 59 1.458 -11.560 0.576 1.00 0.00 C ATOM 859 CD GLU A 59 0.239 -12.413 0.219 1.00 0.00 C ATOM 860 OE1 GLU A 59 -0.298 -12.225 -0.861 1.00 0.00 O ATOM 861 OE2 GLU A 59 -0.137 -13.241 1.032 1.00 0.00 O ATOM 0 H GLU A 59 1.466 -8.816 1.201 1.00 0.00 H new ATOM 0 HA GLU A 59 3.748 -10.249 0.165 1.00 0.00 H new ATOM 0 HB2 GLU A 59 0.845 -9.968 -0.752 1.00 0.00 H new ATOM 0 HB3 GLU A 59 1.979 -11.094 -1.470 1.00 0.00 H new ATOM 0 HG2 GLU A 59 2.328 -12.198 0.732 1.00 0.00 H new ATOM 0 HG3 GLU A 59 1.281 -11.028 1.511 1.00 0.00 H new ATOM 868 N TYR A 60 2.625 -7.700 -1.569 1.00 0.00 N ATOM 869 CA TYR A 60 2.966 -6.823 -2.729 1.00 0.00 C ATOM 870 C TYR A 60 3.951 -5.744 -2.272 1.00 0.00 C ATOM 871 O TYR A 60 4.312 -4.859 -3.023 1.00 0.00 O ATOM 872 CB TYR A 60 1.685 -6.171 -3.254 1.00 0.00 C ATOM 873 CG TYR A 60 0.730 -7.256 -3.697 1.00 0.00 C ATOM 874 CD1 TYR A 60 0.863 -7.824 -4.969 1.00 0.00 C ATOM 875 CD2 TYR A 60 -0.280 -7.702 -2.833 1.00 0.00 C ATOM 876 CE1 TYR A 60 -0.011 -8.837 -5.379 1.00 0.00 C ATOM 877 CE2 TYR A 60 -1.157 -8.715 -3.245 1.00 0.00 C ATOM 878 CZ TYR A 60 -1.021 -9.283 -4.518 1.00 0.00 C ATOM 879 OH TYR A 60 -1.881 -10.283 -4.923 1.00 0.00 O ATOM 0 H TYR A 60 1.849 -7.374 -0.993 1.00 0.00 H new ATOM 0 HA TYR A 60 3.424 -7.413 -3.523 1.00 0.00 H new ATOM 0 HB2 TYR A 60 1.227 -5.560 -2.476 1.00 0.00 H new ATOM 0 HB3 TYR A 60 1.914 -5.507 -4.087 1.00 0.00 H new ATOM 0 HD1 TYR A 60 1.641 -7.480 -5.635 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -0.382 -7.265 -1.851 1.00 0.00 H new ATOM 0 HE1 TYR A 60 0.094 -9.275 -6.361 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -1.937 -9.057 -2.581 1.00 0.00 H new ATOM 0 HH TYR A 60 -2.521 -10.474 -4.206 1.00 0.00 H new ATOM 889 N ILE A 61 4.395 -5.818 -1.040 1.00 0.00 N ATOM 890 CA ILE A 61 5.363 -4.803 -0.516 1.00 0.00 C ATOM 891 C ILE A 61 6.760 -5.411 -0.464 1.00 0.00 C ATOM 892 O ILE A 61 6.967 -6.486 0.068 1.00 0.00 O ATOM 893 CB ILE A 61 4.950 -4.381 0.893 1.00 0.00 C ATOM 894 CG1 ILE A 61 3.515 -3.834 0.871 1.00 0.00 C ATOM 895 CG2 ILE A 61 5.909 -3.312 1.422 1.00 0.00 C ATOM 896 CD1 ILE A 61 3.380 -2.694 -0.148 1.00 0.00 C ATOM 0 H ILE A 61 4.127 -6.541 -0.372 1.00 0.00 H new ATOM 0 HA ILE A 61 5.363 -3.934 -1.174 1.00 0.00 H new ATOM 0 HB ILE A 61 4.992 -5.249 1.552 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.820 -4.635 0.621 1.00 0.00 H new ATOM 0 HG13 ILE A 61 3.243 -3.474 1.863 1.00 0.00 H new ATOM 0 HG21 ILE A 61 5.607 -3.017 2.427 1.00 0.00 H new ATOM 0 HG22 ILE A 61 6.922 -3.714 1.451 1.00 0.00 H new ATOM 0 HG23 ILE A 61 5.882 -2.442 0.765 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.355 -2.323 -0.145 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.060 -1.885 0.119 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.629 -3.064 -1.143 1.00 0.00 H new ATOM 908 N LYS A 62 7.728 -4.731 -1.021 1.00 0.00 N ATOM 909 CA LYS A 62 9.118 -5.265 -1.014 1.00 0.00 C ATOM 910 C LYS A 62 10.132 -4.117 -1.001 1.00 0.00 C ATOM 911 O LYS A 62 9.842 -3.000 -1.396 1.00 0.00 O ATOM 912 CB LYS A 62 9.332 -6.123 -2.262 1.00 0.00 C ATOM 913 CG LYS A 62 10.744 -6.721 -2.236 1.00 0.00 C ATOM 914 CD LYS A 62 10.918 -7.737 -3.375 1.00 0.00 C ATOM 915 CE LYS A 62 11.212 -7.009 -4.692 1.00 0.00 C ATOM 916 NZ LYS A 62 12.442 -6.181 -4.537 1.00 0.00 N ATOM 0 H LYS A 62 7.614 -3.828 -1.481 1.00 0.00 H new ATOM 0 HA LYS A 62 9.263 -5.869 -0.118 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.589 -6.920 -2.300 1.00 0.00 H new ATOM 0 HB3 LYS A 62 9.198 -5.519 -3.159 1.00 0.00 H new ATOM 0 HG2 LYS A 62 11.484 -5.926 -2.333 1.00 0.00 H new ATOM 0 HG3 LYS A 62 10.922 -7.207 -1.277 1.00 0.00 H new ATOM 0 HD2 LYS A 62 11.732 -8.422 -3.140 1.00 0.00 H new ATOM 0 HD3 LYS A 62 10.015 -8.339 -3.477 1.00 0.00 H new ATOM 0 HE2 LYS A 62 11.346 -7.731 -5.497 1.00 0.00 H new ATOM 0 HE3 LYS A 62 10.367 -6.377 -4.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 13.078 -6.349 -5.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 12.181 -5.175 -4.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 12.926 -6.441 -3.654 1.00 0.00 H new ATOM 930 N ASP A 63 11.325 -4.397 -0.543 1.00 0.00 N ATOM 931 CA ASP A 63 12.391 -3.357 -0.485 1.00 0.00 C ATOM 932 C ASP A 63 11.891 -2.158 0.322 1.00 0.00 C ATOM 933 O ASP A 63 11.935 -1.026 -0.124 1.00 0.00 O ATOM 934 CB ASP A 63 12.789 -2.922 -1.901 1.00 0.00 C ATOM 935 CG ASP A 63 13.572 -4.056 -2.573 1.00 0.00 C ATOM 936 OD1 ASP A 63 13.990 -4.957 -1.867 1.00 0.00 O ATOM 937 OD2 ASP A 63 13.740 -4.002 -3.780 1.00 0.00 O ATOM 0 H ASP A 63 11.608 -5.316 -0.202 1.00 0.00 H new ATOM 0 HA ASP A 63 13.272 -3.773 0.004 1.00 0.00 H new ATOM 0 HB2 ASP A 63 11.900 -2.682 -2.484 1.00 0.00 H new ATOM 0 HB3 ASP A 63 13.397 -2.018 -1.860 1.00 0.00 H new ATOM 942 N ILE A 64 11.417 -2.404 1.515 1.00 0.00 N ATOM 943 CA ILE A 64 10.913 -1.289 2.363 1.00 0.00 C ATOM 944 C ILE A 64 12.084 -0.425 2.819 1.00 0.00 C ATOM 945 O ILE A 64 13.082 -0.921 3.307 1.00 0.00 O ATOM 946 CB ILE A 64 10.195 -1.859 3.586 1.00 0.00 C ATOM 947 CG1 ILE A 64 8.938 -2.601 3.129 1.00 0.00 C ATOM 948 CG2 ILE A 64 9.806 -0.721 4.536 1.00 0.00 C ATOM 949 CD1 ILE A 64 8.349 -3.390 4.300 1.00 0.00 C ATOM 0 H ILE A 64 11.358 -3.331 1.937 1.00 0.00 H new ATOM 0 HA ILE A 64 10.217 -0.682 1.784 1.00 0.00 H new ATOM 0 HB ILE A 64 10.857 -2.548 4.110 1.00 0.00 H new ATOM 0 HG12 ILE A 64 8.203 -1.891 2.750 1.00 0.00 H new ATOM 0 HG13 ILE A 64 9.181 -3.276 2.309 1.00 0.00 H new ATOM 0 HG21 ILE A 64 9.294 -1.132 5.406 1.00 0.00 H new ATOM 0 HG22 ILE A 64 10.704 -0.193 4.858 1.00 0.00 H new ATOM 0 HG23 ILE A 64 9.143 -0.027 4.020 1.00 0.00 H new ATOM 0 HD11 ILE A 64 7.454 -3.917 3.970 1.00 0.00 H new ATOM 0 HD12 ILE A 64 9.083 -4.111 4.659 1.00 0.00 H new ATOM 0 HD13 ILE A 64 8.090 -2.705 5.107 1.00 0.00 H new ATOM 961 N LYS A 65 11.969 0.870 2.659 1.00 0.00 N ATOM 962 CA LYS A 65 13.072 1.785 3.074 1.00 0.00 C ATOM 963 C LYS A 65 12.510 2.958 3.876 1.00 0.00 C ATOM 964 O LYS A 65 11.490 3.533 3.543 1.00 0.00 O ATOM 965 CB LYS A 65 13.784 2.321 1.830 1.00 0.00 C ATOM 966 CG LYS A 65 15.106 2.999 2.233 1.00 0.00 C ATOM 967 CD LYS A 65 16.233 1.960 2.304 1.00 0.00 C ATOM 968 CE LYS A 65 17.504 2.626 2.824 1.00 0.00 C ATOM 969 NZ LYS A 65 17.957 3.652 1.846 1.00 0.00 N ATOM 0 H LYS A 65 11.154 1.333 2.257 1.00 0.00 H new ATOM 0 HA LYS A 65 13.776 1.231 3.695 1.00 0.00 H new ATOM 0 HB2 LYS A 65 13.981 1.506 1.134 1.00 0.00 H new ATOM 0 HB3 LYS A 65 13.143 3.034 1.312 1.00 0.00 H new ATOM 0 HG2 LYS A 65 15.361 3.774 1.510 1.00 0.00 H new ATOM 0 HG3 LYS A 65 14.992 3.489 3.200 1.00 0.00 H new ATOM 0 HD2 LYS A 65 15.945 1.139 2.960 1.00 0.00 H new ATOM 0 HD3 LYS A 65 16.411 1.532 1.317 1.00 0.00 H new ATOM 0 HE2 LYS A 65 17.316 3.089 3.793 1.00 0.00 H new ATOM 0 HE3 LYS A 65 18.284 1.880 2.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 18.943 3.913 2.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 17.892 3.266 0.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 17.353 4.495 1.923 1.00 0.00 H new ATOM 983 N ASP A 66 13.182 3.314 4.938 1.00 0.00 N ATOM 984 CA ASP A 66 12.721 4.443 5.791 1.00 0.00 C ATOM 985 C ASP A 66 13.321 5.756 5.280 1.00 0.00 C ATOM 986 O ASP A 66 14.519 5.963 5.304 1.00 0.00 O ATOM 987 CB ASP A 66 13.170 4.188 7.229 1.00 0.00 C ATOM 988 CG ASP A 66 12.474 5.170 8.173 1.00 0.00 C ATOM 989 OD1 ASP A 66 11.506 5.781 7.752 1.00 0.00 O ATOM 990 OD2 ASP A 66 12.922 5.292 9.301 1.00 0.00 O ATOM 0 H ASP A 66 14.041 2.864 5.253 1.00 0.00 H new ATOM 0 HA ASP A 66 11.634 4.517 5.754 1.00 0.00 H new ATOM 0 HB2 ASP A 66 12.934 3.164 7.517 1.00 0.00 H new ATOM 0 HB3 ASP A 66 14.251 4.300 7.307 1.00 0.00 H new ATOM 995 N GLU A 67 12.486 6.637 4.805 1.00 0.00 N ATOM 996 CA GLU A 67 12.977 7.938 4.269 1.00 0.00 C ATOM 997 C GLU A 67 13.796 8.687 5.323 1.00 0.00 C ATOM 998 O GLU A 67 13.651 8.478 6.512 1.00 0.00 O ATOM 999 CB GLU A 67 11.776 8.794 3.865 1.00 0.00 C ATOM 1000 CG GLU A 67 11.025 8.120 2.714 1.00 0.00 C ATOM 1001 CD GLU A 67 11.914 8.082 1.471 1.00 0.00 C ATOM 1002 OE1 GLU A 67 12.860 8.852 1.419 1.00 0.00 O ATOM 1003 OE2 GLU A 67 11.637 7.283 0.590 1.00 0.00 O ATOM 0 H GLU A 67 11.475 6.511 4.765 1.00 0.00 H new ATOM 0 HA GLU A 67 13.615 7.744 3.407 1.00 0.00 H new ATOM 0 HB2 GLU A 67 11.110 8.928 4.717 1.00 0.00 H new ATOM 0 HB3 GLU A 67 12.110 9.786 3.562 1.00 0.00 H new ATOM 0 HG2 GLU A 67 10.737 7.108 2.998 1.00 0.00 H new ATOM 0 HG3 GLU A 67 10.105 8.664 2.499 1.00 0.00 H new ATOM 1010 N VAL A 68 14.660 9.563 4.877 1.00 0.00 N ATOM 1011 CA VAL A 68 15.511 10.350 5.817 1.00 0.00 C ATOM 1012 C VAL A 68 16.409 9.402 6.614 1.00 0.00 C ATOM 1013 O VAL A 68 16.151 9.088 7.761 1.00 0.00 O ATOM 1014 CB VAL A 68 14.624 11.168 6.761 1.00 0.00 C ATOM 1015 CG1 VAL A 68 15.475 12.232 7.455 1.00 0.00 C ATOM 1016 CG2 VAL A 68 13.524 11.853 5.945 1.00 0.00 C ATOM 0 H VAL A 68 14.813 9.768 3.890 1.00 0.00 H new ATOM 0 HA VAL A 68 16.140 11.036 5.249 1.00 0.00 H new ATOM 0 HB VAL A 68 14.176 10.513 7.508 1.00 0.00 H new ATOM 0 HG11 VAL A 68 14.848 12.817 8.128 1.00 0.00 H new ATOM 0 HG12 VAL A 68 16.268 11.748 8.026 1.00 0.00 H new ATOM 0 HG13 VAL A 68 15.916 12.890 6.707 1.00 0.00 H new ATOM 0 HG21 VAL A 68 12.888 12.437 6.610 1.00 0.00 H new ATOM 0 HG22 VAL A 68 13.977 12.512 5.204 1.00 0.00 H new ATOM 0 HG23 VAL A 68 12.923 11.098 5.439 1.00 0.00 H new ATOM 1026 N LEU A 69 17.462 8.934 5.998 1.00 0.00 N ATOM 1027 CA LEU A 69 18.389 7.990 6.685 1.00 0.00 C ATOM 1028 C LEU A 69 19.421 8.772 7.510 1.00 0.00 C ATOM 1029 O LEU A 69 19.702 9.928 7.255 1.00 0.00 O ATOM 1030 CB LEU A 69 19.117 7.126 5.634 1.00 0.00 C ATOM 1031 CG LEU A 69 19.275 7.918 4.313 1.00 0.00 C ATOM 1032 CD1 LEU A 69 20.546 7.466 3.583 1.00 0.00 C ATOM 1033 CD2 LEU A 69 18.058 7.679 3.401 1.00 0.00 C ATOM 0 H LEU A 69 17.721 9.168 5.040 1.00 0.00 H new ATOM 0 HA LEU A 69 17.813 7.348 7.351 1.00 0.00 H new ATOM 0 HB2 LEU A 69 20.097 6.831 6.010 1.00 0.00 H new ATOM 0 HB3 LEU A 69 18.556 6.209 5.453 1.00 0.00 H new ATOM 0 HG LEU A 69 19.346 8.979 4.551 1.00 0.00 H new ATOM 0 HD11 LEU A 69 20.651 8.027 2.654 1.00 0.00 H new ATOM 0 HD12 LEU A 69 21.414 7.648 4.217 1.00 0.00 H new ATOM 0 HD13 LEU A 69 20.477 6.402 3.358 1.00 0.00 H new ATOM 0 HD21 LEU A 69 18.181 8.241 2.475 1.00 0.00 H new ATOM 0 HD22 LEU A 69 17.978 6.616 3.172 1.00 0.00 H new ATOM 0 HD23 LEU A 69 17.152 8.010 3.909 1.00 0.00 H new ATOM 1045 N GLU A 70 19.986 8.134 8.495 1.00 0.00 N ATOM 1046 CA GLU A 70 21.002 8.804 9.348 1.00 0.00 C ATOM 1047 C GLU A 70 22.196 9.259 8.501 1.00 0.00 C ATOM 1048 O GLU A 70 22.642 8.571 7.602 1.00 0.00 O ATOM 1049 CB GLU A 70 21.483 7.813 10.414 1.00 0.00 C ATOM 1050 CG GLU A 70 20.327 7.471 11.359 1.00 0.00 C ATOM 1051 CD GLU A 70 19.905 8.722 12.133 1.00 0.00 C ATOM 1052 OE1 GLU A 70 20.768 9.343 12.731 1.00 0.00 O ATOM 1053 OE2 GLU A 70 18.727 9.039 12.112 1.00 0.00 O ATOM 0 H GLU A 70 19.784 7.167 8.747 1.00 0.00 H new ATOM 0 HA GLU A 70 20.555 9.679 9.819 1.00 0.00 H new ATOM 0 HB2 GLU A 70 21.858 6.906 9.939 1.00 0.00 H new ATOM 0 HB3 GLU A 70 22.311 8.243 10.977 1.00 0.00 H new ATOM 0 HG2 GLU A 70 19.483 7.082 10.790 1.00 0.00 H new ATOM 0 HG3 GLU A 70 20.632 6.688 12.053 1.00 0.00 H new ATOM 1060 N HIS A 71 22.718 10.417 8.796 1.00 0.00 N ATOM 1061 CA HIS A 71 23.888 10.934 8.037 1.00 0.00 C ATOM 1062 C HIS A 71 25.162 10.276 8.581 1.00 0.00 C ATOM 1063 O HIS A 71 26.211 10.310 7.965 1.00 0.00 O ATOM 1064 CB HIS A 71 23.963 12.450 8.221 1.00 0.00 C ATOM 1065 CG HIS A 71 25.028 13.015 7.329 1.00 0.00 C ATOM 1066 ND1 HIS A 71 26.336 13.168 7.752 1.00 0.00 N ATOM 1067 CD2 HIS A 71 24.994 13.466 6.034 1.00 0.00 C ATOM 1068 CE1 HIS A 71 27.035 13.690 6.728 1.00 0.00 C ATOM 1069 NE2 HIS A 71 26.265 13.892 5.656 1.00 0.00 N ATOM 0 H HIS A 71 22.380 11.031 9.537 1.00 0.00 H new ATOM 0 HA HIS A 71 23.788 10.703 6.977 1.00 0.00 H new ATOM 0 HB2 HIS A 71 23.000 12.903 7.985 1.00 0.00 H new ATOM 0 HB3 HIS A 71 24.182 12.689 9.262 1.00 0.00 H new ATOM 0 HD2 HIS A 71 24.117 13.487 5.404 1.00 0.00 H new ATOM 0 HE1 HIS A 71 28.090 13.918 6.768 1.00 0.00 H new ATOM 0 HE2 HIS A 71 26.547 14.276 4.754 1.00 0.00 H new ATOM 1077 N HIS A 72 25.067 9.671 9.734 1.00 0.00 N ATOM 1078 CA HIS A 72 26.252 8.996 10.342 1.00 0.00 C ATOM 1079 C HIS A 72 27.424 9.978 10.446 1.00 0.00 C ATOM 1080 O HIS A 72 28.064 10.315 9.467 1.00 0.00 O ATOM 1081 CB HIS A 72 26.659 7.786 9.492 1.00 0.00 C ATOM 1082 CG HIS A 72 25.566 6.750 9.548 1.00 0.00 C ATOM 1083 ND1 HIS A 72 25.426 5.877 10.617 1.00 0.00 N ATOM 1084 CD2 HIS A 72 24.556 6.436 8.673 1.00 0.00 C ATOM 1085 CE1 HIS A 72 24.367 5.086 10.358 1.00 0.00 C ATOM 1086 NE2 HIS A 72 23.800 5.385 9.188 1.00 0.00 N ATOM 0 H HIS A 72 24.211 9.615 10.287 1.00 0.00 H new ATOM 0 HA HIS A 72 25.987 8.656 11.343 1.00 0.00 H new ATOM 0 HB2 HIS A 72 26.833 8.093 8.461 1.00 0.00 H new ATOM 0 HB3 HIS A 72 27.594 7.365 9.861 1.00 0.00 H new ATOM 0 HD2 HIS A 72 24.375 6.929 7.729 1.00 0.00 H new ATOM 0 HE1 HIS A 72 24.019 4.305 11.017 1.00 0.00 H new ATOM 0 HE2 HIS A 72 22.987 4.940 8.762 1.00 0.00 H new ATOM 1094 N HIS A 73 27.718 10.435 11.636 1.00 0.00 N ATOM 1095 CA HIS A 73 28.851 11.389 11.820 1.00 0.00 C ATOM 1096 C HIS A 73 29.484 11.173 13.195 1.00 0.00 C ATOM 1097 O HIS A 73 28.879 10.616 14.092 1.00 0.00 O ATOM 1098 CB HIS A 73 28.338 12.828 11.713 1.00 0.00 C ATOM 1099 CG HIS A 73 27.238 13.062 12.713 1.00 0.00 C ATOM 1100 ND1 HIS A 73 25.907 12.813 12.419 1.00 0.00 N ATOM 1101 CD2 HIS A 73 27.255 13.536 14.002 1.00 0.00 C ATOM 1102 CE1 HIS A 73 25.183 13.137 13.507 1.00 0.00 C ATOM 1103 NE2 HIS A 73 25.956 13.583 14.501 1.00 0.00 N ATOM 0 H HIS A 73 27.220 10.187 12.491 1.00 0.00 H new ATOM 0 HA HIS A 73 29.597 11.214 11.045 1.00 0.00 H new ATOM 0 HB2 HIS A 73 29.155 13.527 11.890 1.00 0.00 H new ATOM 0 HB3 HIS A 73 27.969 13.017 10.705 1.00 0.00 H new ATOM 0 HD2 HIS A 73 28.141 13.828 14.546 1.00 0.00 H new ATOM 0 HE1 HIS A 73 24.108 13.047 13.569 1.00 0.00 H new ATOM 0 HE2 HIS A 73 25.659 13.892 15.427 1.00 0.00 H new ATOM 1111 N HIS A 74 30.710 11.602 13.365 1.00 0.00 N ATOM 1112 CA HIS A 74 31.409 11.421 14.671 1.00 0.00 C ATOM 1113 C HIS A 74 31.422 12.738 15.451 1.00 0.00 C ATOM 1114 O HIS A 74 31.730 13.789 14.923 1.00 0.00 O ATOM 1115 CB HIS A 74 32.847 10.973 14.405 1.00 0.00 C ATOM 1116 CG HIS A 74 32.834 9.609 13.771 1.00 0.00 C ATOM 1117 ND1 HIS A 74 32.540 8.463 14.492 1.00 0.00 N ATOM 1118 CD2 HIS A 74 33.076 9.191 12.484 1.00 0.00 C ATOM 1119 CE1 HIS A 74 32.611 7.421 13.644 1.00 0.00 C ATOM 1120 NE2 HIS A 74 32.934 7.808 12.408 1.00 0.00 N ATOM 0 H HIS A 74 31.260 12.074 12.647 1.00 0.00 H new ATOM 0 HA HIS A 74 30.884 10.669 15.260 1.00 0.00 H new ATOM 0 HB2 HIS A 74 33.347 11.686 13.750 1.00 0.00 H new ATOM 0 HB3 HIS A 74 33.411 10.948 15.338 1.00 0.00 H new ATOM 0 HD2 HIS A 74 33.336 9.837 11.658 1.00 0.00 H new ATOM 0 HE1 HIS A 74 32.429 6.395 13.929 1.00 0.00 H new ATOM 0 HE2 HIS A 74 33.052 7.217 11.585 1.00 0.00 H new ATOM 1128 N HIS A 75 31.087 12.681 16.710 1.00 0.00 N ATOM 1129 CA HIS A 75 31.076 13.908 17.554 1.00 0.00 C ATOM 1130 C HIS A 75 32.504 14.440 17.715 1.00 0.00 C ATOM 1131 O HIS A 75 32.748 15.630 17.646 1.00 0.00 O ATOM 1132 CB HIS A 75 30.512 13.548 18.926 1.00 0.00 C ATOM 1133 CG HIS A 75 30.414 14.784 19.772 1.00 0.00 C ATOM 1134 ND1 HIS A 75 31.430 15.175 20.627 1.00 0.00 N ATOM 1135 CD2 HIS A 75 29.426 15.726 19.903 1.00 0.00 C ATOM 1136 CE1 HIS A 75 31.035 16.311 21.231 1.00 0.00 C ATOM 1137 NE2 HIS A 75 29.821 16.691 20.824 1.00 0.00 N ATOM 0 H HIS A 75 30.817 11.826 17.196 1.00 0.00 H new ATOM 0 HA HIS A 75 30.462 14.676 17.083 1.00 0.00 H new ATOM 0 HB2 HIS A 75 29.528 13.091 18.817 1.00 0.00 H new ATOM 0 HB3 HIS A 75 31.153 12.813 19.412 1.00 0.00 H new ATOM 0 HD2 HIS A 75 28.485 15.720 19.372 1.00 0.00 H new ATOM 0 HE1 HIS A 75 31.627 16.849 21.956 1.00 0.00 H new ATOM 0 HE2 HIS A 75 29.296 17.512 21.124 1.00 0.00 H new ATOM 1145 N HIS A 76 33.444 13.562 17.944 1.00 0.00 N ATOM 1146 CA HIS A 76 34.863 13.996 18.124 1.00 0.00 C ATOM 1147 C HIS A 76 34.953 15.037 19.244 1.00 0.00 C ATOM 1148 O HIS A 76 34.760 16.207 18.960 1.00 0.00 O ATOM 1149 CB HIS A 76 35.400 14.597 16.816 1.00 0.00 C ATOM 1150 CG HIS A 76 35.678 13.497 15.828 1.00 0.00 C ATOM 1151 ND1 HIS A 76 36.540 12.449 16.114 1.00 0.00 N ATOM 1152 CD2 HIS A 76 35.222 13.271 14.553 1.00 0.00 C ATOM 1153 CE1 HIS A 76 36.578 11.650 15.033 1.00 0.00 C ATOM 1154 NE2 HIS A 76 35.793 12.105 14.052 1.00 0.00 N ATOM 1155 OXT HIS A 76 35.221 14.644 20.369 1.00 0.00 O ATOM 0 H HIS A 76 33.290 12.556 18.015 1.00 0.00 H new ATOM 0 HA HIS A 76 35.465 13.128 18.392 1.00 0.00 H new ATOM 0 HB2 HIS A 76 34.674 15.296 16.401 1.00 0.00 H new ATOM 0 HB3 HIS A 76 36.311 15.162 17.012 1.00 0.00 H new ATOM 0 HD2 HIS A 76 34.526 13.902 14.020 1.00 0.00 H new ATOM 0 HE1 HIS A 76 37.171 10.750 14.966 1.00 0.00 H new ATOM 0 HE2 HIS A 76 35.644 11.687 13.133 1.00 0.00 H new TER 1163 HIS A 76