USER MOD reduce.3.24.130724 H: found=0, std=0, add=506, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 506 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 Single : A 1 MET CE :methyl -134:sc= -0.2 (180deg=-1.49) USER MOD Single : A 1 MET N :NH3+ 139:sc= 0.037 (180deg=-0.13) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= -1.37 K(o=-1.4,f=-5.8!) USER MOD Single : A 13 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 14 GLN : amide:sc= -0.136 K(o=-0.14,f=-0.85) USER MOD Single : A 19 LYS NZ :NH3+ 148:sc= -0.483 (180deg=-1.6!) USER MOD Single : A 20 LYS NZ :NH3+ 174:sc= 1.09 (180deg=0.981) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -5.19! C(o=-5.2!,f=-13!) USER MOD Single : A 34 THR OG1 : rot -20:sc= 0.173 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 HIS :FLIP no HD1:sc= -0.201 F(o=-0.84,f=-0.2) USER MOD Single : A 41 SER OG : rot 180:sc= -0.068 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.005 USER MOD Single : A 43 ASN :FLIP amide:sc= -2.94! C(o=-3.7!,f=-2.9!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -163:sc= 1.26 (180deg=1.21) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -163:sc= -0.113 (180deg=-0.484) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.770 -19.376 17.152 1.00 0.00 N ATOM 2 CA MET A 1 8.184 -19.812 17.125 1.00 0.00 C ATOM 3 C MET A 1 9.078 -18.655 16.700 1.00 0.00 C ATOM 4 O MET A 1 8.625 -17.741 16.010 1.00 0.00 O ATOM 5 CB MET A 1 8.363 -21.007 16.179 1.00 0.00 C ATOM 6 CG MET A 1 7.923 -20.742 14.748 1.00 0.00 C ATOM 7 SD MET A 1 8.131 -22.187 13.688 1.00 0.00 S ATOM 8 CE MET A 1 7.451 -21.583 12.143 1.00 0.00 C ATOM 0 H1 MET A 1 6.168 -20.127 16.758 1.00 0.00 H new ATOM 0 H2 MET A 1 6.485 -19.183 18.133 1.00 0.00 H new ATOM 0 H3 MET A 1 6.662 -18.512 16.584 1.00 0.00 H new ATOM 0 HA MET A 1 8.472 -20.127 18.128 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.413 -21.299 16.176 1.00 0.00 H new ATOM 0 HB3 MET A 1 7.798 -21.853 16.570 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.876 -20.438 14.743 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.498 -19.910 14.342 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.781 -22.333 11.723 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.897 -20.662 12.325 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.261 -21.386 11.441 1.00 0.00 H new ATOM 20 N PRO A 2 10.354 -18.670 17.119 1.00 0.00 N ATOM 21 CA PRO A 2 11.304 -17.597 16.804 1.00 0.00 C ATOM 22 C PRO A 2 11.625 -17.506 15.312 1.00 0.00 C ATOM 23 O PRO A 2 12.355 -18.337 14.765 1.00 0.00 O ATOM 24 CB PRO A 2 12.556 -17.973 17.598 1.00 0.00 C ATOM 25 CG PRO A 2 12.441 -19.440 17.829 1.00 0.00 C ATOM 26 CD PRO A 2 10.973 -19.724 17.946 1.00 0.00 C ATOM 0 HA PRO A 2 10.898 -16.619 17.062 1.00 0.00 H new ATOM 0 HB2 PRO A 2 13.462 -17.731 17.043 1.00 0.00 H new ATOM 0 HB3 PRO A 2 12.604 -17.428 18.541 1.00 0.00 H new ATOM 0 HG2 PRO A 2 12.883 -20.001 17.005 1.00 0.00 H new ATOM 0 HG3 PRO A 2 12.969 -19.735 18.735 1.00 0.00 H new ATOM 0 HD2 PRO A 2 10.726 -20.720 17.579 1.00 0.00 H new ATOM 0 HD3 PRO A 2 10.635 -19.673 18.981 1.00 0.00 H new ATOM 34 N LEU A 3 11.064 -16.499 14.664 1.00 0.00 N ATOM 35 CA LEU A 3 11.310 -16.251 13.256 1.00 0.00 C ATOM 36 C LEU A 3 11.942 -14.877 13.082 1.00 0.00 C ATOM 37 O LEU A 3 11.370 -13.865 13.487 1.00 0.00 O ATOM 38 CB LEU A 3 10.003 -16.332 12.463 1.00 0.00 C ATOM 39 CG LEU A 3 9.305 -17.694 12.492 1.00 0.00 C ATOM 40 CD1 LEU A 3 7.986 -17.630 11.735 1.00 0.00 C ATOM 41 CD2 LEU A 3 10.207 -18.771 11.903 1.00 0.00 C ATOM 0 H LEU A 3 10.427 -15.832 15.099 1.00 0.00 H new ATOM 0 HA LEU A 3 11.992 -17.012 12.877 1.00 0.00 H new ATOM 0 HB2 LEU A 3 9.315 -15.581 12.851 1.00 0.00 H new ATOM 0 HB3 LEU A 3 10.210 -16.070 11.425 1.00 0.00 H new ATOM 0 HG LEU A 3 9.096 -17.952 13.530 1.00 0.00 H new ATOM 0 HD11 LEU A 3 7.502 -18.606 11.765 1.00 0.00 H new ATOM 0 HD12 LEU A 3 7.336 -16.888 12.199 1.00 0.00 H new ATOM 0 HD13 LEU A 3 8.175 -17.350 10.699 1.00 0.00 H new ATOM 0 HD21 LEU A 3 9.693 -19.732 11.932 1.00 0.00 H new ATOM 0 HD22 LEU A 3 10.447 -18.519 10.870 1.00 0.00 H new ATOM 0 HD23 LEU A 3 11.127 -18.833 12.485 1.00 0.00 H new ATOM 53 N THR A 4 13.128 -14.846 12.503 1.00 0.00 N ATOM 54 CA THR A 4 13.840 -13.595 12.316 1.00 0.00 C ATOM 55 C THR A 4 13.540 -12.997 10.944 1.00 0.00 C ATOM 56 O THR A 4 14.226 -13.284 9.959 1.00 0.00 O ATOM 57 CB THR A 4 15.356 -13.792 12.489 1.00 0.00 C ATOM 58 OG1 THR A 4 15.602 -14.502 13.712 1.00 0.00 O ATOM 59 CG2 THR A 4 16.085 -12.453 12.521 1.00 0.00 C ATOM 0 H THR A 4 13.618 -15.670 12.155 1.00 0.00 H new ATOM 0 HA THR A 4 13.493 -12.900 13.080 1.00 0.00 H new ATOM 0 HB THR A 4 15.731 -14.363 11.640 1.00 0.00 H new ATOM 0 HG1 THR A 4 16.567 -14.632 13.827 1.00 0.00 H new ATOM 0 HG21 THR A 4 17.154 -12.624 12.644 1.00 0.00 H new ATOM 0 HG22 THR A 4 15.908 -11.920 11.587 1.00 0.00 H new ATOM 0 HG23 THR A 4 15.714 -11.857 13.355 1.00 0.00 H new ATOM 67 N ASP A 5 12.482 -12.204 10.881 1.00 0.00 N ATOM 68 CA ASP A 5 12.111 -11.520 9.654 1.00 0.00 C ATOM 69 C ASP A 5 12.700 -10.122 9.604 1.00 0.00 C ATOM 70 O ASP A 5 12.808 -9.434 10.618 1.00 0.00 O ATOM 71 CB ASP A 5 10.591 -11.455 9.480 1.00 0.00 C ATOM 72 CG ASP A 5 9.863 -11.044 10.746 1.00 0.00 C ATOM 73 OD1 ASP A 5 9.841 -11.835 11.714 1.00 0.00 O ATOM 74 OD2 ASP A 5 9.302 -9.930 10.781 1.00 0.00 O ATOM 0 H ASP A 5 11.863 -12.018 11.670 1.00 0.00 H new ATOM 0 HA ASP A 5 12.523 -12.102 8.830 1.00 0.00 H new ATOM 0 HB2 ASP A 5 10.352 -10.748 8.685 1.00 0.00 H new ATOM 0 HB3 ASP A 5 10.226 -12.431 9.159 1.00 0.00 H new ATOM 79 N PRO A 6 13.104 -9.708 8.405 1.00 0.00 N ATOM 80 CA PRO A 6 13.717 -8.401 8.162 1.00 0.00 C ATOM 81 C PRO A 6 12.692 -7.291 7.947 1.00 0.00 C ATOM 82 O PRO A 6 13.040 -6.109 7.910 1.00 0.00 O ATOM 83 CB PRO A 6 14.488 -8.651 6.871 1.00 0.00 C ATOM 84 CG PRO A 6 13.639 -9.625 6.128 1.00 0.00 C ATOM 85 CD PRO A 6 13.017 -10.513 7.174 1.00 0.00 C ATOM 0 HA PRO A 6 14.318 -8.063 9.006 1.00 0.00 H new ATOM 0 HB2 PRO A 6 14.628 -7.730 6.305 1.00 0.00 H new ATOM 0 HB3 PRO A 6 15.480 -9.057 7.070 1.00 0.00 H new ATOM 0 HG2 PRO A 6 12.873 -9.112 5.546 1.00 0.00 H new ATOM 0 HG3 PRO A 6 14.236 -10.207 5.426 1.00 0.00 H new ATOM 0 HD2 PRO A 6 11.984 -10.760 6.928 1.00 0.00 H new ATOM 0 HD3 PRO A 6 13.555 -11.456 7.272 1.00 0.00 H new ATOM 93 N ALA A 7 11.434 -7.674 7.797 1.00 0.00 N ATOM 94 CA ALA A 7 10.385 -6.726 7.455 1.00 0.00 C ATOM 95 C ALA A 7 9.709 -6.178 8.701 1.00 0.00 C ATOM 96 O ALA A 7 9.950 -6.649 9.810 1.00 0.00 O ATOM 97 CB ALA A 7 9.363 -7.384 6.541 1.00 0.00 C ATOM 0 H ALA A 7 11.114 -8.636 7.907 1.00 0.00 H new ATOM 0 HA ALA A 7 10.843 -5.888 6.929 1.00 0.00 H new ATOM 0 HB1 ALA A 7 8.582 -6.665 6.291 1.00 0.00 H new ATOM 0 HB2 ALA A 7 9.854 -7.718 5.627 1.00 0.00 H new ATOM 0 HB3 ALA A 7 8.919 -8.240 7.049 1.00 0.00 H new ATOM 103 N LYS A 8 8.876 -5.167 8.512 1.00 0.00 N ATOM 104 CA LYS A 8 8.111 -4.594 9.605 1.00 0.00 C ATOM 105 C LYS A 8 6.647 -4.984 9.447 1.00 0.00 C ATOM 106 O LYS A 8 6.325 -5.937 8.734 1.00 0.00 O ATOM 107 CB LYS A 8 8.243 -3.064 9.643 1.00 0.00 C ATOM 108 CG LYS A 8 9.664 -2.552 9.837 1.00 0.00 C ATOM 109 CD LYS A 8 10.477 -2.660 8.561 1.00 0.00 C ATOM 110 CE LYS A 8 11.873 -2.088 8.727 1.00 0.00 C ATOM 111 NZ LYS A 8 12.608 -2.044 7.437 1.00 0.00 N ATOM 0 H LYS A 8 8.713 -4.725 7.607 1.00 0.00 H new ATOM 0 HA LYS A 8 8.504 -4.984 10.544 1.00 0.00 H new ATOM 0 HB2 LYS A 8 7.848 -2.656 8.713 1.00 0.00 H new ATOM 0 HB3 LYS A 8 7.619 -2.679 10.450 1.00 0.00 H new ATOM 0 HG2 LYS A 8 9.635 -1.512 10.163 1.00 0.00 H new ATOM 0 HG3 LYS A 8 10.151 -3.121 10.629 1.00 0.00 H new ATOM 0 HD2 LYS A 8 10.547 -3.706 8.263 1.00 0.00 H new ATOM 0 HD3 LYS A 8 9.962 -2.133 7.757 1.00 0.00 H new ATOM 0 HE2 LYS A 8 11.807 -1.082 9.142 1.00 0.00 H new ATOM 0 HE3 LYS A 8 12.431 -2.692 9.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 13.557 -1.647 7.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 12.693 -3.007 7.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 12.089 -1.447 6.762 1.00 0.00 H new ATOM 125 N LEU A 9 5.765 -4.247 10.102 1.00 0.00 N ATOM 126 CA LEU A 9 4.342 -4.509 10.002 1.00 0.00 C ATOM 127 C LEU A 9 3.797 -3.954 8.686 1.00 0.00 C ATOM 128 O LEU A 9 3.383 -2.797 8.605 1.00 0.00 O ATOM 129 CB LEU A 9 3.606 -3.901 11.210 1.00 0.00 C ATOM 130 CG LEU A 9 2.161 -4.369 11.432 1.00 0.00 C ATOM 131 CD1 LEU A 9 1.786 -4.237 12.898 1.00 0.00 C ATOM 132 CD2 LEU A 9 1.191 -3.562 10.583 1.00 0.00 C ATOM 0 H LEU A 9 6.011 -3.464 10.708 1.00 0.00 H new ATOM 0 HA LEU A 9 4.174 -5.586 10.010 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.180 -4.125 12.109 1.00 0.00 H new ATOM 0 HB3 LEU A 9 3.601 -2.817 11.097 1.00 0.00 H new ATOM 0 HG LEU A 9 2.097 -5.416 11.134 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.759 -4.572 13.042 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.456 -4.850 13.501 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.874 -3.194 13.204 1.00 0.00 H new ATOM 0 HD21 LEU A 9 0.174 -3.913 10.759 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.262 -2.508 10.852 1.00 0.00 H new ATOM 0 HD23 LEU A 9 1.440 -3.685 9.529 1.00 0.00 H new ATOM 144 N GLN A 10 3.853 -4.764 7.637 1.00 0.00 N ATOM 145 CA GLN A 10 3.207 -4.408 6.385 1.00 0.00 C ATOM 146 C GLN A 10 1.941 -5.227 6.188 1.00 0.00 C ATOM 147 O GLN A 10 1.557 -6.025 7.046 1.00 0.00 O ATOM 148 CB GLN A 10 4.120 -4.591 5.164 1.00 0.00 C ATOM 149 CG GLN A 10 5.157 -3.493 4.969 1.00 0.00 C ATOM 150 CD GLN A 10 6.431 -3.709 5.757 1.00 0.00 C ATOM 151 OE1 GLN A 10 6.561 -3.257 6.890 1.00 0.00 O ATOM 152 NE2 GLN A 10 7.385 -4.397 5.152 1.00 0.00 N ATOM 0 H GLN A 10 4.335 -5.663 7.629 1.00 0.00 H new ATOM 0 HA GLN A 10 2.964 -3.348 6.459 1.00 0.00 H new ATOM 0 HB2 GLN A 10 4.636 -5.547 5.255 1.00 0.00 H new ATOM 0 HB3 GLN A 10 3.499 -4.648 4.270 1.00 0.00 H new ATOM 0 HG2 GLN A 10 5.404 -3.423 3.910 1.00 0.00 H new ATOM 0 HG3 GLN A 10 4.720 -2.537 5.258 1.00 0.00 H new ATOM 0 HE21 GLN A 10 7.236 -4.755 4.209 1.00 0.00 H new ATOM 0 HE22 GLN A 10 8.270 -4.569 5.629 1.00 0.00 H new ATOM 161 N ILE A 11 1.313 -5.045 5.036 1.00 0.00 N ATOM 162 CA ILE A 11 0.082 -5.747 4.709 1.00 0.00 C ATOM 163 C ILE A 11 0.363 -7.171 4.239 1.00 0.00 C ATOM 164 O ILE A 11 -0.543 -7.902 3.848 1.00 0.00 O ATOM 165 CB ILE A 11 -0.748 -4.962 3.662 1.00 0.00 C ATOM 166 CG1 ILE A 11 0.081 -4.595 2.422 1.00 0.00 C ATOM 167 CG2 ILE A 11 -1.298 -3.695 4.299 1.00 0.00 C ATOM 168 CD1 ILE A 11 0.239 -5.710 1.412 1.00 0.00 C ATOM 0 H ILE A 11 1.640 -4.411 4.307 1.00 0.00 H new ATOM 0 HA ILE A 11 -0.512 -5.814 5.620 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.563 -5.607 3.334 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.385 -3.741 1.930 1.00 0.00 H new ATOM 0 HG13 ILE A 11 1.071 -4.274 2.746 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -1.882 -3.142 3.563 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.935 -3.959 5.144 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.472 -3.075 4.647 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.838 -5.358 0.572 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.736 -6.559 1.882 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -0.743 -6.018 1.053 1.00 0.00 H new ATOM 180 N VAL A 12 1.628 -7.558 4.306 1.00 0.00 N ATOM 181 CA VAL A 12 2.038 -8.908 3.957 1.00 0.00 C ATOM 182 C VAL A 12 1.934 -9.819 5.178 1.00 0.00 C ATOM 183 O VAL A 12 1.989 -11.042 5.064 1.00 0.00 O ATOM 184 CB VAL A 12 3.483 -8.932 3.413 1.00 0.00 C ATOM 185 CG1 VAL A 12 3.607 -8.034 2.191 1.00 0.00 C ATOM 186 CG2 VAL A 12 4.479 -8.512 4.489 1.00 0.00 C ATOM 0 H VAL A 12 2.392 -6.951 4.601 1.00 0.00 H new ATOM 0 HA VAL A 12 1.371 -9.269 3.174 1.00 0.00 H new ATOM 0 HB VAL A 12 3.717 -9.955 3.117 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.632 -8.063 1.821 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.930 -8.384 1.412 1.00 0.00 H new ATOM 0 HG13 VAL A 12 3.348 -7.011 2.464 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.489 -8.538 4.080 1.00 0.00 H new ATOM 0 HG22 VAL A 12 4.248 -7.501 4.823 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.412 -9.197 5.334 1.00 0.00 H new ATOM 196 N GLN A 13 1.780 -9.202 6.345 1.00 0.00 N ATOM 197 CA GLN A 13 1.690 -9.941 7.596 1.00 0.00 C ATOM 198 C GLN A 13 0.394 -9.608 8.326 1.00 0.00 C ATOM 199 O GLN A 13 -0.495 -10.445 8.446 1.00 0.00 O ATOM 200 CB GLN A 13 2.888 -9.625 8.494 1.00 0.00 C ATOM 201 CG GLN A 13 4.220 -10.113 7.944 1.00 0.00 C ATOM 202 CD GLN A 13 5.383 -9.782 8.858 1.00 0.00 C ATOM 203 OE1 GLN A 13 5.219 -9.669 10.072 1.00 0.00 O ATOM 204 NE2 GLN A 13 6.570 -9.644 8.290 1.00 0.00 N ATOM 0 H GLN A 13 1.715 -8.189 6.449 1.00 0.00 H new ATOM 0 HA GLN A 13 1.696 -11.005 7.360 1.00 0.00 H new ATOM 0 HB2 GLN A 13 2.942 -8.547 8.644 1.00 0.00 H new ATOM 0 HB3 GLN A 13 2.724 -10.075 9.473 1.00 0.00 H new ATOM 0 HG2 GLN A 13 4.175 -11.192 7.796 1.00 0.00 H new ATOM 0 HG3 GLN A 13 4.392 -9.664 6.966 1.00 0.00 H new ATOM 0 HE21 GLN A 13 6.667 -9.745 7.280 1.00 0.00 H new ATOM 0 HE22 GLN A 13 7.388 -9.437 8.863 1.00 0.00 H new ATOM 213 N GLN A 14 0.290 -8.371 8.799 1.00 0.00 N ATOM 214 CA GLN A 14 -0.883 -7.939 9.548 1.00 0.00 C ATOM 215 C GLN A 14 -2.029 -7.625 8.594 1.00 0.00 C ATOM 216 O GLN A 14 -3.144 -8.116 8.766 1.00 0.00 O ATOM 217 CB GLN A 14 -0.546 -6.707 10.392 1.00 0.00 C ATOM 218 CG GLN A 14 -1.592 -6.385 11.448 1.00 0.00 C ATOM 219 CD GLN A 14 -1.704 -7.472 12.501 1.00 0.00 C ATOM 220 OE1 GLN A 14 -0.729 -8.158 12.811 1.00 0.00 O ATOM 221 NE2 GLN A 14 -2.891 -7.636 13.055 1.00 0.00 N ATOM 0 H GLN A 14 1.003 -7.651 8.677 1.00 0.00 H new ATOM 0 HA GLN A 14 -1.191 -8.746 10.213 1.00 0.00 H new ATOM 0 HB2 GLN A 14 0.415 -6.865 10.881 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -0.431 -5.846 9.733 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -1.339 -5.441 11.930 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -2.560 -6.248 10.967 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -3.673 -7.046 12.770 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -3.026 -8.352 13.768 1.00 0.00 H new ATOM 230 N ARG A 15 -1.727 -6.800 7.593 1.00 0.00 N ATOM 231 CA ARG A 15 -2.680 -6.444 6.540 1.00 0.00 C ATOM 232 C ARG A 15 -3.922 -5.755 7.104 1.00 0.00 C ATOM 233 O ARG A 15 -4.902 -6.405 7.472 1.00 0.00 O ATOM 234 CB ARG A 15 -3.069 -7.680 5.722 1.00 0.00 C ATOM 235 CG ARG A 15 -3.914 -7.368 4.498 1.00 0.00 C ATOM 236 CD ARG A 15 -3.956 -8.549 3.541 1.00 0.00 C ATOM 237 NE ARG A 15 -4.564 -9.738 4.141 1.00 0.00 N ATOM 238 CZ ARG A 15 -3.904 -10.870 4.389 1.00 0.00 C ATOM 239 NH1 ARG A 15 -2.597 -10.955 4.155 1.00 0.00 N ATOM 240 NH2 ARG A 15 -4.555 -11.912 4.886 1.00 0.00 N ATOM 0 H ARG A 15 -0.814 -6.358 7.488 1.00 0.00 H new ATOM 0 HA ARG A 15 -2.185 -5.731 5.880 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -2.162 -8.193 5.404 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -3.617 -8.370 6.363 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -4.927 -7.112 4.808 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -3.508 -6.496 3.986 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -4.517 -8.269 2.649 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -2.942 -8.787 3.219 1.00 0.00 H new ATOM 0 HE ARG A 15 -5.554 -9.698 4.384 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -2.092 -10.151 3.783 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -2.100 -11.825 4.348 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -5.555 -11.845 5.076 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -4.056 -12.781 5.078 1.00 0.00 H new ATOM 254 N VAL A 16 -3.860 -4.433 7.185 1.00 0.00 N ATOM 255 CA VAL A 16 -4.993 -3.640 7.640 1.00 0.00 C ATOM 256 C VAL A 16 -5.522 -2.792 6.489 1.00 0.00 C ATOM 257 O VAL A 16 -6.613 -3.029 5.972 1.00 0.00 O ATOM 258 CB VAL A 16 -4.613 -2.718 8.821 1.00 0.00 C ATOM 259 CG1 VAL A 16 -5.836 -1.983 9.348 1.00 0.00 C ATOM 260 CG2 VAL A 16 -3.941 -3.510 9.934 1.00 0.00 C ATOM 0 H VAL A 16 -3.034 -3.886 6.941 1.00 0.00 H new ATOM 0 HA VAL A 16 -5.762 -4.331 7.985 1.00 0.00 H new ATOM 0 HB VAL A 16 -3.902 -1.978 8.455 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -5.544 -1.340 10.179 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -6.266 -1.375 8.552 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -6.575 -2.707 9.691 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.683 -2.839 10.753 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -4.623 -4.279 10.296 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -3.035 -3.979 9.551 1.00 0.00 H new ATOM 270 N PHE A 17 -4.726 -1.815 6.079 1.00 0.00 N ATOM 271 CA PHE A 17 -5.080 -0.952 4.964 1.00 0.00 C ATOM 272 C PHE A 17 -4.487 -1.500 3.671 1.00 0.00 C ATOM 273 O PHE A 17 -4.156 -2.682 3.580 1.00 0.00 O ATOM 274 CB PHE A 17 -4.557 0.466 5.209 1.00 0.00 C ATOM 275 CG PHE A 17 -5.097 1.109 6.454 1.00 0.00 C ATOM 276 CD1 PHE A 17 -6.389 1.607 6.488 1.00 0.00 C ATOM 277 CD2 PHE A 17 -4.305 1.221 7.585 1.00 0.00 C ATOM 278 CE1 PHE A 17 -6.883 2.204 7.632 1.00 0.00 C ATOM 279 CE2 PHE A 17 -4.794 1.817 8.731 1.00 0.00 C ATOM 280 CZ PHE A 17 -6.083 2.308 8.755 1.00 0.00 C ATOM 0 H PHE A 17 -3.825 -1.600 6.506 1.00 0.00 H new ATOM 0 HA PHE A 17 -6.166 -0.922 4.876 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -3.469 0.436 5.271 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -4.810 1.089 4.351 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -7.016 1.528 5.612 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -3.295 0.838 7.571 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -7.892 2.589 7.649 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -4.168 1.899 9.607 1.00 0.00 H new ATOM 0 HZ PHE A 17 -6.467 2.773 9.651 1.00 0.00 H new ATOM 290 N LEU A 18 -4.368 -0.636 2.680 1.00 0.00 N ATOM 291 CA LEU A 18 -3.723 -0.979 1.425 1.00 0.00 C ATOM 292 C LEU A 18 -2.463 -0.142 1.270 1.00 0.00 C ATOM 293 O LEU A 18 -2.118 0.621 2.167 1.00 0.00 O ATOM 294 CB LEU A 18 -4.666 -0.747 0.245 1.00 0.00 C ATOM 295 CG LEU A 18 -5.920 -1.627 0.235 1.00 0.00 C ATOM 296 CD1 LEU A 18 -6.777 -1.325 -0.983 1.00 0.00 C ATOM 297 CD2 LEU A 18 -5.538 -3.099 0.258 1.00 0.00 C ATOM 0 H LEU A 18 -4.715 0.322 2.722 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.461 -2.037 1.436 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.974 0.299 0.246 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.115 -0.916 -0.680 1.00 0.00 H new ATOM 0 HG LEU A 18 -6.500 -1.404 1.130 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -7.663 -1.960 -0.971 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -7.081 -0.278 -0.964 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -6.203 -1.519 -1.889 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.441 -3.709 0.251 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.935 -3.332 -0.620 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.964 -3.312 1.160 1.00 0.00 H new ATOM 309 N LYS A 19 -1.759 -0.300 0.166 1.00 0.00 N ATOM 310 CA LYS A 19 -0.558 0.486 -0.063 1.00 0.00 C ATOM 311 C LYS A 19 -0.902 1.828 -0.695 1.00 0.00 C ATOM 312 O LYS A 19 -1.969 2.002 -1.291 1.00 0.00 O ATOM 313 CB LYS A 19 0.420 -0.258 -0.962 1.00 0.00 C ATOM 314 CG LYS A 19 0.782 -1.646 -0.469 1.00 0.00 C ATOM 315 CD LYS A 19 1.624 -1.603 0.801 1.00 0.00 C ATOM 316 CE LYS A 19 2.582 -2.786 0.862 1.00 0.00 C ATOM 317 NZ LYS A 19 3.355 -2.950 -0.399 1.00 0.00 N ATOM 0 H LYS A 19 -1.992 -0.956 -0.579 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.089 0.655 0.906 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -0.011 -0.340 -1.960 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.332 0.332 -1.055 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -0.130 -2.212 -0.280 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.330 -2.176 -1.249 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.189 -0.671 0.836 1.00 0.00 H new ATOM 0 HD3 LYS A 19 0.972 -1.613 1.674 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.273 -2.649 1.694 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.019 -3.697 1.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.295 -3.338 -0.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 2.850 -3.601 -1.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.460 -2.026 -0.864 1.00 0.00 H new ATOM 331 N LYS A 20 0.015 2.767 -0.557 1.00 0.00 N ATOM 332 CA LYS A 20 -0.152 4.104 -1.111 1.00 0.00 C ATOM 333 C LYS A 20 0.645 4.250 -2.390 1.00 0.00 C ATOM 334 O LYS A 20 1.827 3.918 -2.434 1.00 0.00 O ATOM 335 CB LYS A 20 0.321 5.148 -0.109 1.00 0.00 C ATOM 336 CG LYS A 20 -0.169 4.884 1.300 1.00 0.00 C ATOM 337 CD LYS A 20 0.529 5.771 2.307 1.00 0.00 C ATOM 338 CE LYS A 20 2.028 5.542 2.302 1.00 0.00 C ATOM 339 NZ LYS A 20 2.708 6.460 3.245 1.00 0.00 N ATOM 0 H LYS A 20 0.895 2.629 -0.060 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.210 4.255 -1.326 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.411 5.176 -0.109 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.023 6.132 -0.429 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.245 5.053 1.349 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.002 3.838 1.555 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.319 6.816 2.081 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.133 5.574 3.303 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.243 4.509 2.576 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.419 5.693 1.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 3.718 6.216 3.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 2.606 7.439 2.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 2.279 6.369 4.188 1.00 0.00 H new ATOM 353 N VAL A 21 0.005 4.765 -3.418 1.00 0.00 N ATOM 354 CA VAL A 21 0.655 4.951 -4.697 1.00 0.00 C ATOM 355 C VAL A 21 0.940 6.432 -4.939 1.00 0.00 C ATOM 356 O VAL A 21 0.063 7.276 -4.794 1.00 0.00 O ATOM 357 CB VAL A 21 -0.192 4.351 -5.848 1.00 0.00 C ATOM 358 CG1 VAL A 21 -1.619 4.870 -5.815 1.00 0.00 C ATOM 359 CG2 VAL A 21 0.447 4.632 -7.197 1.00 0.00 C ATOM 0 H VAL A 21 -0.970 5.064 -3.392 1.00 0.00 H new ATOM 0 HA VAL A 21 1.606 4.418 -4.677 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.225 3.271 -5.702 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.185 4.429 -6.635 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -2.083 4.599 -4.867 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -1.614 5.955 -5.919 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.167 4.200 -7.987 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.525 5.709 -7.345 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.442 4.188 -7.228 1.00 0.00 H new ATOM 369 N CYS A 22 2.189 6.735 -5.250 1.00 0.00 N ATOM 370 CA CYS A 22 2.620 8.088 -5.575 1.00 0.00 C ATOM 371 C CYS A 22 1.851 8.616 -6.777 1.00 0.00 C ATOM 372 O CYS A 22 1.695 7.908 -7.768 1.00 0.00 O ATOM 373 CB CYS A 22 4.120 8.042 -5.873 1.00 0.00 C ATOM 374 SG CYS A 22 4.896 9.571 -6.500 1.00 0.00 S ATOM 0 H CYS A 22 2.940 6.045 -5.285 1.00 0.00 H new ATOM 0 HA CYS A 22 2.423 8.759 -4.739 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.637 7.752 -4.958 1.00 0.00 H new ATOM 0 HB3 CYS A 22 4.295 7.251 -6.602 1.00 0.00 H new ATOM 379 N ARG A 23 1.354 9.843 -6.697 1.00 0.00 N ATOM 380 CA ARG A 23 0.653 10.428 -7.839 1.00 0.00 C ATOM 381 C ARG A 23 1.630 11.111 -8.790 1.00 0.00 C ATOM 382 O ARG A 23 1.229 11.676 -9.807 1.00 0.00 O ATOM 383 CB ARG A 23 -0.443 11.407 -7.403 1.00 0.00 C ATOM 384 CG ARG A 23 0.034 12.545 -6.529 1.00 0.00 C ATOM 385 CD ARG A 23 -1.019 13.638 -6.429 1.00 0.00 C ATOM 386 NE ARG A 23 -1.169 14.357 -7.693 1.00 0.00 N ATOM 387 CZ ARG A 23 -1.577 15.621 -7.791 1.00 0.00 C ATOM 388 NH1 ARG A 23 -1.933 16.299 -6.707 1.00 0.00 N ATOM 389 NH2 ARG A 23 -1.632 16.200 -8.983 1.00 0.00 N ATOM 0 H ARG A 23 1.419 10.443 -5.875 1.00 0.00 H new ATOM 0 HA ARG A 23 0.168 9.607 -8.367 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -0.913 11.824 -8.294 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.213 10.853 -6.866 1.00 0.00 H new ATOM 0 HG2 ARG A 23 0.268 12.169 -5.533 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.955 12.960 -6.938 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -1.975 13.198 -6.144 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -0.743 14.339 -5.641 1.00 0.00 H new ATOM 0 HE ARG A 23 -0.947 13.859 -8.555 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -1.895 15.852 -5.791 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -2.244 17.267 -6.790 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -1.363 15.678 -9.817 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -1.943 17.168 -9.066 1.00 0.00 H new ATOM 403 N LYS A 24 2.915 11.054 -8.456 1.00 0.00 N ATOM 404 CA LYS A 24 3.950 11.607 -9.314 1.00 0.00 C ATOM 405 C LYS A 24 4.517 10.516 -10.220 1.00 0.00 C ATOM 406 O LYS A 24 4.572 10.681 -11.438 1.00 0.00 O ATOM 407 CB LYS A 24 5.071 12.230 -8.476 1.00 0.00 C ATOM 408 CG LYS A 24 4.582 13.219 -7.427 1.00 0.00 C ATOM 409 CD LYS A 24 3.942 14.449 -8.052 1.00 0.00 C ATOM 410 CE LYS A 24 4.943 15.247 -8.871 1.00 0.00 C ATOM 411 NZ LYS A 24 4.354 16.500 -9.412 1.00 0.00 N ATOM 0 H LYS A 24 3.262 10.630 -7.596 1.00 0.00 H new ATOM 0 HA LYS A 24 3.506 12.388 -9.931 1.00 0.00 H new ATOM 0 HB2 LYS A 24 5.625 11.434 -7.979 1.00 0.00 H new ATOM 0 HB3 LYS A 24 5.769 12.737 -9.142 1.00 0.00 H new ATOM 0 HG2 LYS A 24 3.860 12.727 -6.775 1.00 0.00 H new ATOM 0 HG3 LYS A 24 5.420 13.526 -6.801 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.112 14.144 -8.689 1.00 0.00 H new ATOM 0 HD3 LYS A 24 3.526 15.082 -7.268 1.00 0.00 H new ATOM 0 HE2 LYS A 24 5.805 15.491 -8.250 1.00 0.00 H new ATOM 0 HE3 LYS A 24 5.307 14.633 -9.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 5.072 17.011 -9.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 3.547 16.268 -10.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.030 17.099 -8.626 1.00 0.00 H new ATOM 425 N CYS A 25 4.928 9.397 -9.623 1.00 0.00 N ATOM 426 CA CYS A 25 5.474 8.280 -10.393 1.00 0.00 C ATOM 427 C CYS A 25 4.394 7.253 -10.677 1.00 0.00 C ATOM 428 O CYS A 25 4.308 6.696 -11.770 1.00 0.00 O ATOM 429 CB CYS A 25 6.587 7.545 -9.634 1.00 0.00 C ATOM 430 SG CYS A 25 7.801 8.597 -8.787 1.00 0.00 S ATOM 0 H CYS A 25 4.894 9.241 -8.616 1.00 0.00 H new ATOM 0 HA CYS A 25 5.871 8.712 -11.312 1.00 0.00 H new ATOM 0 HB2 CYS A 25 6.125 6.890 -8.895 1.00 0.00 H new ATOM 0 HB3 CYS A 25 7.119 6.905 -10.338 1.00 0.00 H new ATOM 435 N GLY A 26 3.566 7.018 -9.674 1.00 0.00 N ATOM 436 CA GLY A 26 2.731 5.841 -9.669 1.00 0.00 C ATOM 437 C GLY A 26 3.394 4.732 -8.878 1.00 0.00 C ATOM 438 O GLY A 26 3.072 3.556 -9.038 1.00 0.00 O ATOM 0 H GLY A 26 3.458 7.624 -8.861 1.00 0.00 H new ATOM 0 HA2 GLY A 26 1.760 6.077 -9.234 1.00 0.00 H new ATOM 0 HA3 GLY A 26 2.550 5.510 -10.692 1.00 0.00 H new ATOM 442 N ALA A 27 4.331 5.130 -8.022 1.00 0.00 N ATOM 443 CA ALA A 27 5.093 4.194 -7.211 1.00 0.00 C ATOM 444 C ALA A 27 4.341 3.845 -5.940 1.00 0.00 C ATOM 445 O ALA A 27 4.023 4.725 -5.140 1.00 0.00 O ATOM 446 CB ALA A 27 6.459 4.779 -6.868 1.00 0.00 C ATOM 0 H ALA A 27 4.581 6.108 -7.874 1.00 0.00 H new ATOM 0 HA ALA A 27 5.235 3.281 -7.789 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.018 4.067 -6.261 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.009 4.982 -7.787 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.328 5.707 -6.311 1.00 0.00 H new ATOM 452 N LEU A 28 4.061 2.569 -5.760 1.00 0.00 N ATOM 453 CA LEU A 28 3.345 2.108 -4.587 1.00 0.00 C ATOM 454 C LEU A 28 4.329 1.815 -3.464 1.00 0.00 C ATOM 455 O LEU A 28 5.190 0.940 -3.587 1.00 0.00 O ATOM 456 CB LEU A 28 2.519 0.862 -4.918 1.00 0.00 C ATOM 457 CG LEU A 28 1.639 0.986 -6.165 1.00 0.00 C ATOM 458 CD1 LEU A 28 2.317 0.357 -7.372 1.00 0.00 C ATOM 459 CD2 LEU A 28 0.277 0.356 -5.926 1.00 0.00 C ATOM 0 H LEU A 28 4.320 1.830 -6.414 1.00 0.00 H new ATOM 0 HA LEU A 28 2.661 2.891 -4.260 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.197 0.019 -5.052 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.883 0.628 -4.064 1.00 0.00 H new ATOM 0 HG LEU A 28 1.494 2.046 -6.372 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.672 0.458 -8.245 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.265 0.861 -7.561 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.501 -0.700 -7.177 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.332 0.455 -6.824 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.402 -0.700 -5.687 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.217 0.861 -5.095 1.00 0.00 H new ATOM 471 N ASN A 29 4.207 2.555 -2.376 1.00 0.00 N ATOM 472 CA ASN A 29 5.136 2.436 -1.273 1.00 0.00 C ATOM 473 C ASN A 29 4.475 1.708 -0.124 1.00 0.00 C ATOM 474 O ASN A 29 3.242 1.661 -0.048 1.00 0.00 O ATOM 475 CB ASN A 29 5.605 3.822 -0.829 1.00 0.00 C ATOM 476 CG ASN A 29 6.461 4.495 -1.878 1.00 0.00 C ATOM 477 OD1 ASN A 29 7.676 4.377 -1.866 1.00 0.00 O ATOM 478 ND2 ASN A 29 5.836 5.196 -2.803 1.00 0.00 N ATOM 0 H ASN A 29 3.470 3.246 -2.235 1.00 0.00 H new ATOM 0 HA ASN A 29 6.006 1.865 -1.597 1.00 0.00 H new ATOM 0 HB2 ASN A 29 4.738 4.446 -0.614 1.00 0.00 H new ATOM 0 HB3 ASN A 29 6.171 3.733 0.098 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.369 5.660 -3.538 1.00 0.00 H new ATOM 0 HD22 ASN A 29 4.819 5.274 -2.784 1.00 0.00 H new ATOM 485 N PRO A 30 5.260 1.108 0.783 1.00 0.00 N ATOM 486 CA PRO A 30 4.692 0.433 1.937 1.00 0.00 C ATOM 487 C PRO A 30 3.977 1.425 2.837 1.00 0.00 C ATOM 488 O PRO A 30 4.303 2.610 2.848 1.00 0.00 O ATOM 489 CB PRO A 30 5.899 -0.186 2.649 1.00 0.00 C ATOM 490 CG PRO A 30 7.079 0.578 2.157 1.00 0.00 C ATOM 491 CD PRO A 30 6.737 1.044 0.766 1.00 0.00 C ATOM 0 HA PRO A 30 3.950 -0.316 1.661 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.801 -0.105 3.732 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.992 -1.247 2.416 1.00 0.00 H new ATOM 0 HG2 PRO A 30 7.292 1.425 2.809 1.00 0.00 H new ATOM 0 HG3 PRO A 30 7.971 -0.049 2.148 1.00 0.00 H new ATOM 0 HD2 PRO A 30 7.179 2.016 0.547 1.00 0.00 H new ATOM 0 HD3 PRO A 30 7.101 0.350 0.008 1.00 0.00 H new ATOM 499 N ILE A 31 3.000 0.941 3.584 1.00 0.00 N ATOM 500 CA ILE A 31 2.238 1.784 4.498 1.00 0.00 C ATOM 501 C ILE A 31 3.155 2.363 5.586 1.00 0.00 C ATOM 502 O ILE A 31 2.787 3.292 6.300 1.00 0.00 O ATOM 503 CB ILE A 31 1.079 0.991 5.155 1.00 0.00 C ATOM 504 CG1 ILE A 31 1.588 0.073 6.274 1.00 0.00 C ATOM 505 CG2 ILE A 31 0.347 0.166 4.106 1.00 0.00 C ATOM 506 CD1 ILE A 31 2.419 -1.096 5.785 1.00 0.00 C ATOM 0 H ILE A 31 2.712 -0.037 3.577 1.00 0.00 H new ATOM 0 HA ILE A 31 1.811 2.602 3.918 1.00 0.00 H new ATOM 0 HB ILE A 31 0.392 1.713 5.596 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.184 0.663 6.970 1.00 0.00 H new ATOM 0 HG13 ILE A 31 0.734 -0.310 6.832 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.465 -0.387 4.579 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.061 0.828 3.342 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.042 -0.535 3.644 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.740 -1.696 6.637 1.00 0.00 H new ATOM 0 HD12 ILE A 31 1.821 -1.711 5.113 1.00 0.00 H new ATOM 0 HD13 ILE A 31 3.294 -0.723 5.253 1.00 0.00 H new ATOM 518 N ARG A 32 4.353 1.788 5.690 1.00 0.00 N ATOM 519 CA ARG A 32 5.357 2.218 6.657 1.00 0.00 C ATOM 520 C ARG A 32 6.182 3.378 6.108 1.00 0.00 C ATOM 521 O ARG A 32 6.703 4.200 6.866 1.00 0.00 O ATOM 522 CB ARG A 32 6.287 1.052 6.988 1.00 0.00 C ATOM 523 CG ARG A 32 5.574 -0.202 7.470 1.00 0.00 C ATOM 524 CD ARG A 32 5.111 -0.081 8.917 1.00 0.00 C ATOM 525 NE ARG A 32 3.986 0.842 9.086 1.00 0.00 N ATOM 526 CZ ARG A 32 4.042 1.973 9.798 1.00 0.00 C ATOM 527 NH1 ARG A 32 5.191 2.378 10.330 1.00 0.00 N ATOM 528 NH2 ARG A 32 2.945 2.703 9.965 1.00 0.00 N ATOM 0 H ARG A 32 4.653 1.009 5.104 1.00 0.00 H new ATOM 0 HA ARG A 32 4.841 2.551 7.558 1.00 0.00 H new ATOM 0 HB2 ARG A 32 6.871 0.805 6.101 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.992 1.372 7.755 1.00 0.00 H new ATOM 0 HG2 ARG A 32 4.713 -0.397 6.830 1.00 0.00 H new ATOM 0 HG3 ARG A 32 6.243 -1.057 7.375 1.00 0.00 H new ATOM 0 HD2 ARG A 32 4.823 -1.066 9.283 1.00 0.00 H new ATOM 0 HD3 ARG A 32 5.945 0.256 9.532 1.00 0.00 H new ATOM 0 HE ARG A 32 3.103 0.607 8.632 1.00 0.00 H new ATOM 0 HH11 ARG A 32 6.038 1.825 10.196 1.00 0.00 H new ATOM 0 HH12 ARG A 32 5.226 3.242 10.872 1.00 0.00 H new ATOM 0 HH21 ARG A 32 2.063 2.401 9.551 1.00 0.00 H new ATOM 0 HH22 ARG A 32 2.984 3.566 10.507 1.00 0.00 H new ATOM 542 N ALA A 33 6.309 3.431 4.784 1.00 0.00 N ATOM 543 CA ALA A 33 7.057 4.492 4.122 1.00 0.00 C ATOM 544 C ALA A 33 6.277 5.780 4.186 1.00 0.00 C ATOM 545 O ALA A 33 5.143 5.839 3.734 1.00 0.00 O ATOM 546 CB ALA A 33 7.333 4.142 2.674 1.00 0.00 C ATOM 0 H ALA A 33 5.900 2.747 4.147 1.00 0.00 H new ATOM 0 HA ALA A 33 8.010 4.609 4.638 1.00 0.00 H new ATOM 0 HB1 ALA A 33 7.892 4.951 2.204 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.916 3.222 2.627 1.00 0.00 H new ATOM 0 HB3 ALA A 33 6.389 4.000 2.148 1.00 0.00 H new ATOM 552 N THR A 34 6.880 6.807 4.739 1.00 0.00 N ATOM 553 CA THR A 34 6.191 8.064 4.921 1.00 0.00 C ATOM 554 C THR A 34 6.089 8.845 3.604 1.00 0.00 C ATOM 555 O THR A 34 5.282 9.771 3.481 1.00 0.00 O ATOM 556 CB THR A 34 6.880 8.913 6.009 1.00 0.00 C ATOM 557 OG1 THR A 34 6.167 10.139 6.224 1.00 0.00 O ATOM 558 CG2 THR A 34 8.324 9.198 5.628 1.00 0.00 C ATOM 0 H THR A 34 7.845 6.797 5.070 1.00 0.00 H new ATOM 0 HA THR A 34 5.177 7.840 5.251 1.00 0.00 H new ATOM 0 HB THR A 34 6.873 8.345 6.940 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.603 10.330 5.446 1.00 0.00 H new ATOM 0 HG21 THR A 34 8.794 9.798 6.407 1.00 0.00 H new ATOM 0 HG22 THR A 34 8.864 8.257 5.519 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.351 9.743 4.685 1.00 0.00 H new ATOM 566 N LYS A 35 6.885 8.452 2.613 1.00 0.00 N ATOM 567 CA LYS A 35 6.848 9.096 1.314 1.00 0.00 C ATOM 568 C LYS A 35 7.293 8.129 0.226 1.00 0.00 C ATOM 569 O LYS A 35 7.632 6.980 0.498 1.00 0.00 O ATOM 570 CB LYS A 35 7.729 10.354 1.297 1.00 0.00 C ATOM 571 CG LYS A 35 9.224 10.085 1.289 1.00 0.00 C ATOM 572 CD LYS A 35 10.015 11.370 1.467 1.00 0.00 C ATOM 573 CE LYS A 35 11.397 11.093 2.037 1.00 0.00 C ATOM 574 NZ LYS A 35 12.169 12.342 2.285 1.00 0.00 N ATOM 0 H LYS A 35 7.560 7.692 2.690 1.00 0.00 H new ATOM 0 HA LYS A 35 5.819 9.396 1.118 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.476 10.946 0.417 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.488 10.961 2.170 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.475 9.387 2.088 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.505 9.609 0.350 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.110 11.877 0.507 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.474 12.044 2.131 1.00 0.00 H new ATOM 0 HE2 LYS A 35 11.298 10.539 2.970 1.00 0.00 H new ATOM 0 HE3 LYS A 35 11.951 10.457 1.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 13.103 12.101 2.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 12.288 12.860 1.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 11.655 12.939 2.964 1.00 0.00 H new ATOM 588 N CYS A 36 7.273 8.615 -0.999 1.00 0.00 N ATOM 589 CA CYS A 36 7.688 7.852 -2.162 1.00 0.00 C ATOM 590 C CYS A 36 9.168 7.517 -2.086 1.00 0.00 C ATOM 591 O CYS A 36 9.992 8.394 -1.861 1.00 0.00 O ATOM 592 CB CYS A 36 7.414 8.697 -3.383 1.00 0.00 C ATOM 593 SG CYS A 36 7.836 7.960 -4.987 1.00 0.00 S ATOM 0 H CYS A 36 6.965 9.562 -1.219 1.00 0.00 H new ATOM 0 HA CYS A 36 7.137 6.912 -2.208 1.00 0.00 H new ATOM 0 HB2 CYS A 36 6.354 8.950 -3.392 1.00 0.00 H new ATOM 0 HB3 CYS A 36 7.964 9.632 -3.282 1.00 0.00 H new ATOM 598 N ARG A 37 9.509 6.259 -2.274 1.00 0.00 N ATOM 599 CA ARG A 37 10.911 5.864 -2.292 1.00 0.00 C ATOM 600 C ARG A 37 11.489 5.996 -3.697 1.00 0.00 C ATOM 601 O ARG A 37 12.621 5.596 -3.954 1.00 0.00 O ATOM 602 CB ARG A 37 11.087 4.439 -1.760 1.00 0.00 C ATOM 603 CG ARG A 37 10.305 3.385 -2.529 1.00 0.00 C ATOM 604 CD ARG A 37 10.419 2.018 -1.877 1.00 0.00 C ATOM 605 NE ARG A 37 11.779 1.489 -1.971 1.00 0.00 N ATOM 606 CZ ARG A 37 12.370 0.750 -1.032 1.00 0.00 C ATOM 607 NH1 ARG A 37 11.739 0.478 0.104 1.00 0.00 N ATOM 608 NH2 ARG A 37 13.600 0.290 -1.227 1.00 0.00 N ATOM 0 H ARG A 37 8.846 5.496 -2.415 1.00 0.00 H new ATOM 0 HA ARG A 37 11.461 6.536 -1.633 1.00 0.00 H new ATOM 0 HB2 ARG A 37 12.146 4.181 -1.787 1.00 0.00 H new ATOM 0 HB3 ARG A 37 10.779 4.413 -0.715 1.00 0.00 H new ATOM 0 HG2 ARG A 37 9.256 3.677 -2.583 1.00 0.00 H new ATOM 0 HG3 ARG A 37 10.674 3.332 -3.553 1.00 0.00 H new ATOM 0 HD2 ARG A 37 10.127 2.088 -0.829 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.725 1.327 -2.356 1.00 0.00 H new ATOM 0 HE ARG A 37 12.313 1.700 -2.814 1.00 0.00 H new ATOM 0 HH11 ARG A 37 10.797 0.835 0.262 1.00 0.00 H new ATOM 0 HH12 ARG A 37 12.197 -0.088 0.819 1.00 0.00 H new ATOM 0 HH21 ARG A 37 14.092 0.502 -2.095 1.00 0.00 H new ATOM 0 HH22 ARG A 37 14.053 -0.275 -0.509 1.00 0.00 H new ATOM 622 N ARG A 38 10.699 6.565 -4.602 1.00 0.00 N ATOM 623 CA ARG A 38 11.138 6.784 -5.976 1.00 0.00 C ATOM 624 C ARG A 38 11.526 8.244 -6.196 1.00 0.00 C ATOM 625 O ARG A 38 12.578 8.527 -6.767 1.00 0.00 O ATOM 626 CB ARG A 38 10.054 6.355 -6.978 1.00 0.00 C ATOM 627 CG ARG A 38 10.062 4.867 -7.326 1.00 0.00 C ATOM 628 CD ARG A 38 10.036 3.985 -6.086 1.00 0.00 C ATOM 629 NE ARG A 38 9.773 2.580 -6.399 1.00 0.00 N ATOM 630 CZ ARG A 38 10.700 1.711 -6.809 1.00 0.00 C ATOM 631 NH1 ARG A 38 11.959 2.097 -6.982 1.00 0.00 N ATOM 632 NH2 ARG A 38 10.363 0.449 -7.037 1.00 0.00 N ATOM 0 H ARG A 38 9.750 6.883 -4.408 1.00 0.00 H new ATOM 0 HA ARG A 38 12.019 6.166 -6.147 1.00 0.00 H new ATOM 0 HB2 ARG A 38 9.077 6.614 -6.569 1.00 0.00 H new ATOM 0 HB3 ARG A 38 10.178 6.930 -7.896 1.00 0.00 H new ATOM 0 HG2 ARG A 38 9.199 4.637 -7.951 1.00 0.00 H new ATOM 0 HG3 ARG A 38 10.951 4.638 -7.914 1.00 0.00 H new ATOM 0 HD2 ARG A 38 10.992 4.065 -5.568 1.00 0.00 H new ATOM 0 HD3 ARG A 38 9.271 4.350 -5.401 1.00 0.00 H new ATOM 0 HE ARG A 38 8.816 2.241 -6.297 1.00 0.00 H new ATOM 0 HH11 ARG A 38 12.225 3.065 -6.801 1.00 0.00 H new ATOM 0 HH12 ARG A 38 12.660 1.425 -7.296 1.00 0.00 H new ATOM 0 HH21 ARG A 38 9.399 0.146 -6.899 1.00 0.00 H new ATOM 0 HH22 ARG A 38 11.068 -0.218 -7.350 1.00 0.00 H new ATOM 646 N CYS A 39 10.698 9.176 -5.728 1.00 0.00 N ATOM 647 CA CYS A 39 11.038 10.597 -5.839 1.00 0.00 C ATOM 648 C CYS A 39 11.093 11.275 -4.475 1.00 0.00 C ATOM 649 O CYS A 39 11.480 12.442 -4.388 1.00 0.00 O ATOM 650 CB CYS A 39 10.081 11.365 -6.781 1.00 0.00 C ATOM 651 SG CYS A 39 8.313 11.372 -6.303 1.00 0.00 S ATOM 0 H CYS A 39 9.804 8.981 -5.277 1.00 0.00 H new ATOM 0 HA CYS A 39 12.034 10.632 -6.281 1.00 0.00 H new ATOM 0 HB2 CYS A 39 10.422 12.398 -6.849 1.00 0.00 H new ATOM 0 HB3 CYS A 39 10.165 10.936 -7.779 1.00 0.00 H new ATOM 656 N HIS A 40 10.723 10.550 -3.408 1.00 0.00 N ATOM 657 CA HIS A 40 10.720 11.113 -2.067 1.00 0.00 C ATOM 658 C HIS A 40 9.752 12.272 -2.002 1.00 0.00 C ATOM 659 O HIS A 40 10.131 13.435 -1.881 1.00 0.00 O ATOM 660 CB HIS A 40 12.108 11.541 -1.594 1.00 0.00 C ATOM 661 CG HIS A 40 13.057 10.408 -1.356 1.00 0.00 C ATOM 662 ND1 HIS A 40 12.875 9.230 -0.721 1.00 0.00 N flip ATOM 663 CD2 HIS A 40 14.376 10.432 -1.736 1.00 0.00 C flip ATOM 664 CE1 HIS A 40 14.078 8.566 -0.723 1.00 0.00 C flip ATOM 665 NE2 HIS A 40 14.965 9.319 -1.348 1.00 0.00 N flip ATOM 0 H HIS A 40 10.424 9.576 -3.457 1.00 0.00 H new ATOM 0 HA HIS A 40 10.397 10.325 -1.387 1.00 0.00 H new ATOM 0 HB2 HIS A 40 12.541 12.211 -2.336 1.00 0.00 H new ATOM 0 HB3 HIS A 40 12.004 12.112 -0.671 1.00 0.00 H new ATOM 0 HD2 HIS A 40 14.856 11.238 -2.270 1.00 0.00 H new ATOM 0 HE1 HIS A 40 14.266 7.595 -0.288 1.00 0.00 H new ATOM 0 HE2 HIS A 40 15.944 9.079 -1.504 1.00 0.00 H new ATOM 674 N SER A 41 8.497 11.919 -2.104 1.00 0.00 N ATOM 675 CA SER A 41 7.420 12.861 -2.098 1.00 0.00 C ATOM 676 C SER A 41 6.299 12.237 -1.316 1.00 0.00 C ATOM 677 O SER A 41 6.014 11.048 -1.474 1.00 0.00 O ATOM 678 CB SER A 41 6.967 13.186 -3.526 1.00 0.00 C ATOM 679 OG SER A 41 5.887 14.101 -3.520 1.00 0.00 O ATOM 0 H SER A 41 8.194 10.949 -2.195 1.00 0.00 H new ATOM 0 HA SER A 41 7.735 13.801 -1.645 1.00 0.00 H new ATOM 0 HB2 SER A 41 7.801 13.606 -4.089 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.669 12.269 -4.034 1.00 0.00 H new ATOM 0 HG SER A 41 5.617 14.294 -4.442 1.00 0.00 H new ATOM 685 N THR A 42 5.694 13.008 -0.454 1.00 0.00 N ATOM 686 CA THR A 42 4.652 12.499 0.395 1.00 0.00 C ATOM 687 C THR A 42 3.306 12.607 -0.306 1.00 0.00 C ATOM 688 O THR A 42 2.245 12.506 0.313 1.00 0.00 O ATOM 689 CB THR A 42 4.658 13.257 1.729 1.00 0.00 C ATOM 690 OG1 THR A 42 4.606 14.671 1.487 1.00 0.00 O ATOM 691 CG2 THR A 42 5.924 12.910 2.501 1.00 0.00 C ATOM 0 H THR A 42 5.906 13.997 -0.321 1.00 0.00 H new ATOM 0 HA THR A 42 4.831 11.444 0.604 1.00 0.00 H new ATOM 0 HB THR A 42 3.786 12.967 2.315 1.00 0.00 H new ATOM 0 HG1 THR A 42 4.608 15.150 2.342 1.00 0.00 H new ATOM 0 HG21 THR A 42 5.931 13.447 3.449 1.00 0.00 H new ATOM 0 HG22 THR A 42 5.951 11.837 2.692 1.00 0.00 H new ATOM 0 HG23 THR A 42 6.797 13.197 1.915 1.00 0.00 H new ATOM 699 N ASN A 43 3.373 12.766 -1.624 1.00 0.00 N ATOM 700 CA ASN A 43 2.191 12.906 -2.452 1.00 0.00 C ATOM 701 C ASN A 43 1.725 11.526 -2.894 1.00 0.00 C ATOM 702 O ASN A 43 1.676 11.208 -4.087 1.00 0.00 O ATOM 703 CB ASN A 43 2.523 13.777 -3.669 1.00 0.00 C ATOM 704 CG ASN A 43 1.394 14.711 -4.062 1.00 0.00 C ATOM 705 OD1 ASN A 43 0.550 15.075 -3.109 1.00 0.00 O flip ATOM 706 ND2 ASN A 43 1.289 15.116 -5.219 1.00 0.00 N flip ATOM 0 H ASN A 43 4.250 12.801 -2.143 1.00 0.00 H new ATOM 0 HA ASN A 43 1.392 13.385 -1.887 1.00 0.00 H new ATOM 0 HB2 ASN A 43 3.415 14.366 -3.454 1.00 0.00 H new ATOM 0 HB3 ASN A 43 2.763 13.132 -4.514 1.00 0.00 H new ATOM 0 HD21 ASN A 43 1.958 14.814 -5.928 1.00 0.00 H new ATOM 0 HD22 ASN A 43 0.533 15.753 -5.470 1.00 0.00 H new ATOM 713 N LEU A 44 1.417 10.697 -1.910 1.00 0.00 N ATOM 714 CA LEU A 44 0.939 9.348 -2.154 1.00 0.00 C ATOM 715 C LEU A 44 -0.550 9.262 -1.857 1.00 0.00 C ATOM 716 O LEU A 44 -1.079 10.056 -1.080 1.00 0.00 O ATOM 717 CB LEU A 44 1.687 8.352 -1.260 1.00 0.00 C ATOM 718 CG LEU A 44 3.181 8.622 -1.069 1.00 0.00 C ATOM 719 CD1 LEU A 44 3.783 7.620 -0.102 1.00 0.00 C ATOM 720 CD2 LEU A 44 3.923 8.579 -2.390 1.00 0.00 C ATOM 0 H LEU A 44 1.491 10.940 -0.922 1.00 0.00 H new ATOM 0 HA LEU A 44 1.118 9.101 -3.201 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.210 8.343 -0.280 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.568 7.354 -1.681 1.00 0.00 H new ATOM 0 HG LEU A 44 3.285 9.624 -0.653 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.846 7.827 0.022 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.283 7.700 0.863 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.653 6.612 -0.495 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.982 8.775 -2.219 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.804 7.594 -2.842 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.517 9.337 -3.060 1.00 0.00 H new ATOM 732 N ARG A 45 -1.216 8.300 -2.469 1.00 0.00 N ATOM 733 CA ARG A 45 -2.623 8.048 -2.190 1.00 0.00 C ATOM 734 C ARG A 45 -2.828 6.572 -1.872 1.00 0.00 C ATOM 735 O ARG A 45 -2.492 5.698 -2.674 1.00 0.00 O ATOM 736 CB ARG A 45 -3.522 8.479 -3.362 1.00 0.00 C ATOM 737 CG ARG A 45 -3.159 7.841 -4.694 1.00 0.00 C ATOM 738 CD ARG A 45 -2.433 8.817 -5.605 1.00 0.00 C ATOM 739 NE ARG A 45 -1.806 8.146 -6.742 1.00 0.00 N ATOM 740 CZ ARG A 45 -2.070 8.430 -8.018 1.00 0.00 C ATOM 741 NH1 ARG A 45 -3.052 9.265 -8.327 1.00 0.00 N ATOM 742 NH2 ARG A 45 -1.367 7.851 -8.985 1.00 0.00 N ATOM 0 H ARG A 45 -0.806 7.677 -3.165 1.00 0.00 H new ATOM 0 HA ARG A 45 -2.910 8.647 -1.326 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -4.556 8.230 -3.123 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -3.471 9.563 -3.465 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -2.529 6.968 -4.520 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -4.065 7.488 -5.187 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -3.138 9.565 -5.969 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -1.672 9.348 -5.033 1.00 0.00 H new ATOM 0 HE ARG A 45 -1.123 7.414 -6.547 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -3.609 9.693 -7.588 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -3.251 9.479 -9.304 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -0.626 7.190 -8.751 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -1.568 8.067 -9.961 1.00 0.00 H new ATOM 756 N LEU A 46 -3.336 6.299 -0.684 1.00 0.00 N ATOM 757 CA LEU A 46 -3.599 4.935 -0.264 1.00 0.00 C ATOM 758 C LEU A 46 -4.915 4.471 -0.869 1.00 0.00 C ATOM 759 O LEU A 46 -5.927 5.171 -0.775 1.00 0.00 O ATOM 760 CB LEU A 46 -3.628 4.851 1.267 1.00 0.00 C ATOM 761 CG LEU A 46 -3.529 3.440 1.851 1.00 0.00 C ATOM 762 CD1 LEU A 46 -2.690 3.446 3.114 1.00 0.00 C ATOM 763 CD2 LEU A 46 -4.911 2.876 2.139 1.00 0.00 C ATOM 0 H LEU A 46 -3.576 7.007 0.010 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.803 4.278 -0.616 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.806 5.447 1.662 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -4.552 5.308 1.621 1.00 0.00 H new ATOM 0 HG LEU A 46 -3.045 2.801 1.113 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.630 2.435 3.516 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.687 3.805 2.883 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.149 4.103 3.853 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.815 1.872 2.553 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.424 3.517 2.856 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.487 2.833 1.214 1.00 0.00 H new ATOM 775 N LYS A 47 -4.887 3.315 -1.518 1.00 0.00 N ATOM 776 CA LYS A 47 -6.061 2.802 -2.214 1.00 0.00 C ATOM 777 C LYS A 47 -7.224 2.581 -1.257 1.00 0.00 C ATOM 778 O LYS A 47 -7.036 2.154 -0.117 1.00 0.00 O ATOM 779 CB LYS A 47 -5.737 1.498 -2.940 1.00 0.00 C ATOM 780 CG LYS A 47 -4.747 1.654 -4.083 1.00 0.00 C ATOM 781 CD LYS A 47 -4.608 0.359 -4.867 1.00 0.00 C ATOM 782 CE LYS A 47 -3.663 0.510 -6.048 1.00 0.00 C ATOM 783 NZ LYS A 47 -3.620 -0.722 -6.875 1.00 0.00 N ATOM 0 H LYS A 47 -4.065 2.714 -1.578 1.00 0.00 H new ATOM 0 HA LYS A 47 -6.355 3.554 -2.946 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.336 0.784 -2.221 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -6.662 1.072 -3.330 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.077 2.452 -4.748 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.775 1.950 -3.689 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.242 -0.427 -4.207 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.588 0.044 -5.224 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.981 1.351 -6.664 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.661 0.741 -5.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.966 -0.583 -7.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.293 -1.519 -6.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.572 -0.928 -7.241 1.00 0.00 H new ATOM 797 N LYS A 48 -8.423 2.877 -1.736 1.00 0.00 N ATOM 798 CA LYS A 48 -9.633 2.725 -0.944 1.00 0.00 C ATOM 799 C LYS A 48 -9.815 1.277 -0.511 1.00 0.00 C ATOM 800 O LYS A 48 -9.694 0.357 -1.324 1.00 0.00 O ATOM 801 CB LYS A 48 -10.854 3.174 -1.752 1.00 0.00 C ATOM 802 CG LYS A 48 -10.813 4.632 -2.174 1.00 0.00 C ATOM 803 CD LYS A 48 -11.165 5.545 -1.015 1.00 0.00 C ATOM 804 CE LYS A 48 -12.630 5.414 -0.633 1.00 0.00 C ATOM 805 NZ LYS A 48 -12.998 6.327 0.480 1.00 0.00 N ATOM 0 H LYS A 48 -8.584 3.228 -2.680 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.537 3.349 -0.056 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -10.937 2.551 -2.642 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -11.752 3.003 -1.159 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.819 4.878 -2.546 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -11.511 4.796 -2.995 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.540 5.302 -0.156 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.949 6.579 -1.285 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -13.252 5.631 -1.501 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -12.838 4.385 -0.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -14.005 6.206 0.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -12.423 6.103 1.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -12.824 7.311 0.193 1.00 0.00 H new ATOM 819 N LYS A 49 -10.092 1.086 0.774 1.00 0.00 N ATOM 820 CA LYS A 49 -10.363 -0.239 1.314 1.00 0.00 C ATOM 821 C LYS A 49 -11.558 -0.866 0.604 1.00 0.00 C ATOM 822 O LYS A 49 -12.637 -0.279 0.547 1.00 0.00 O ATOM 823 CB LYS A 49 -10.606 -0.160 2.824 1.00 0.00 C ATOM 824 CG LYS A 49 -9.329 -0.105 3.646 1.00 0.00 C ATOM 825 CD LYS A 49 -8.642 -1.462 3.695 1.00 0.00 C ATOM 826 CE LYS A 49 -9.488 -2.484 4.437 1.00 0.00 C ATOM 827 NZ LYS A 49 -8.797 -3.795 4.565 1.00 0.00 N ATOM 0 H LYS A 49 -10.135 1.837 1.463 1.00 0.00 H new ATOM 0 HA LYS A 49 -9.493 -0.872 1.142 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -11.206 0.724 3.041 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -11.191 -1.026 3.135 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -8.650 0.633 3.218 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -9.560 0.224 4.659 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -8.452 -1.812 2.681 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -7.673 -1.364 4.185 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -9.728 -2.103 5.430 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -10.433 -2.622 3.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -9.491 -4.531 4.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -8.338 -4.035 3.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -8.078 -3.737 5.314 1.00 0.00 H new ATOM 841 N GLU A 50 -11.343 -2.050 0.049 1.00 0.00 N ATOM 842 CA GLU A 50 -12.360 -2.730 -0.739 1.00 0.00 C ATOM 843 C GLU A 50 -13.499 -3.220 0.151 1.00 0.00 C ATOM 844 O GLU A 50 -14.669 -2.977 -0.146 1.00 0.00 O ATOM 845 CB GLU A 50 -11.727 -3.902 -1.493 1.00 0.00 C ATOM 846 CG GLU A 50 -12.637 -4.538 -2.532 1.00 0.00 C ATOM 847 CD GLU A 50 -11.959 -5.677 -3.262 1.00 0.00 C ATOM 848 OE1 GLU A 50 -11.235 -5.415 -4.245 1.00 0.00 O ATOM 849 OE2 GLU A 50 -12.139 -6.842 -2.852 1.00 0.00 O ATOM 0 H GLU A 50 -10.465 -2.563 0.131 1.00 0.00 H new ATOM 0 HA GLU A 50 -12.777 -2.025 -1.458 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -10.819 -3.555 -1.985 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -11.428 -4.664 -0.773 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -13.540 -4.906 -2.045 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -12.949 -3.781 -3.252 1.00 0.00 H new ATOM 856 N LEU A 51 -13.135 -3.884 1.254 1.00 0.00 N ATOM 857 CA LEU A 51 -14.098 -4.462 2.195 1.00 0.00 C ATOM 858 C LEU A 51 -14.907 -5.598 1.559 1.00 0.00 C ATOM 859 O LEU A 51 -14.999 -5.705 0.335 1.00 0.00 O ATOM 860 CB LEU A 51 -15.033 -3.381 2.734 1.00 0.00 C ATOM 861 CG LEU A 51 -14.644 -2.784 4.089 1.00 0.00 C ATOM 862 CD1 LEU A 51 -13.291 -2.098 4.013 1.00 0.00 C ATOM 863 CD2 LEU A 51 -15.711 -1.811 4.562 1.00 0.00 C ATOM 0 H LEU A 51 -12.162 -4.035 1.519 1.00 0.00 H new ATOM 0 HA LEU A 51 -13.530 -4.887 3.023 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -15.085 -2.574 2.003 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -16.035 -3.801 2.817 1.00 0.00 H new ATOM 0 HG LEU A 51 -14.568 -3.597 4.811 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -13.038 -1.683 4.989 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -12.532 -2.823 3.720 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -13.331 -1.296 3.276 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -15.421 -1.394 5.527 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -15.817 -1.005 3.835 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -16.662 -2.335 4.664 1.00 0.00 H new ATOM 875 N PRO A 52 -15.480 -6.484 2.388 1.00 0.00 N ATOM 876 CA PRO A 52 -16.299 -7.593 1.899 1.00 0.00 C ATOM 877 C PRO A 52 -17.603 -7.104 1.277 1.00 0.00 C ATOM 878 O PRO A 52 -18.420 -6.455 1.937 1.00 0.00 O ATOM 879 CB PRO A 52 -16.576 -8.427 3.155 1.00 0.00 C ATOM 880 CG PRO A 52 -16.402 -7.481 4.295 1.00 0.00 C ATOM 881 CD PRO A 52 -15.369 -6.480 3.856 1.00 0.00 C ATOM 0 HA PRO A 52 -15.797 -8.157 1.113 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -17.583 -8.843 3.138 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -15.886 -9.267 3.231 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -17.343 -6.988 4.539 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -16.077 -8.008 5.192 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -15.568 -5.491 4.270 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -14.369 -6.767 4.183 1.00 0.00 H new ATOM 889 N THR A 53 -17.785 -7.397 -0.004 1.00 0.00 N ATOM 890 CA THR A 53 -19.005 -7.034 -0.703 1.00 0.00 C ATOM 891 C THR A 53 -20.126 -7.993 -0.317 1.00 0.00 C ATOM 892 O THR A 53 -20.164 -9.139 -0.776 1.00 0.00 O ATOM 893 CB THR A 53 -18.798 -7.039 -2.229 1.00 0.00 C ATOM 894 OG1 THR A 53 -17.694 -6.186 -2.565 1.00 0.00 O ATOM 895 CG2 THR A 53 -20.049 -6.562 -2.956 1.00 0.00 C ATOM 0 H THR A 53 -17.099 -7.887 -0.579 1.00 0.00 H new ATOM 0 HA THR A 53 -19.280 -6.021 -0.409 1.00 0.00 H new ATOM 0 HB THR A 53 -18.589 -8.062 -2.543 1.00 0.00 H new ATOM 0 HG1 THR A 53 -17.561 -6.190 -3.536 1.00 0.00 H new ATOM 0 HG21 THR A 53 -19.873 -6.576 -4.032 1.00 0.00 H new ATOM 0 HG22 THR A 53 -20.883 -7.222 -2.716 1.00 0.00 H new ATOM 0 HG23 THR A 53 -20.288 -5.546 -2.641 1.00 0.00 H new ATOM 903 N LYS A 54 -21.016 -7.504 0.545 1.00 0.00 N ATOM 904 CA LYS A 54 -22.084 -8.301 1.137 1.00 0.00 C ATOM 905 C LYS A 54 -21.495 -9.313 2.118 1.00 0.00 C ATOM 906 O LYS A 54 -20.745 -10.212 1.732 1.00 0.00 O ATOM 907 CB LYS A 54 -22.925 -9.002 0.065 1.00 0.00 C ATOM 908 CG LYS A 54 -24.143 -9.713 0.624 1.00 0.00 C ATOM 909 CD LYS A 54 -24.839 -10.542 -0.439 1.00 0.00 C ATOM 910 CE LYS A 54 -26.040 -11.273 0.130 1.00 0.00 C ATOM 911 NZ LYS A 54 -25.687 -12.064 1.337 1.00 0.00 N ATOM 0 H LYS A 54 -21.014 -6.532 0.854 1.00 0.00 H new ATOM 0 HA LYS A 54 -22.750 -7.630 1.679 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -23.249 -8.266 -0.671 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -22.301 -9.725 -0.461 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -23.842 -10.357 1.450 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -24.840 -8.979 1.029 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -25.158 -9.895 -1.256 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -24.137 -11.263 -0.858 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -26.817 -10.552 0.383 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -26.455 -11.936 -0.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -26.435 -12.761 1.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -24.786 -12.558 1.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -25.593 -11.427 2.154 1.00 0.00 H new ATOM 925 N LYS A 55 -21.835 -9.150 3.386 1.00 0.00 N ATOM 926 CA LYS A 55 -21.270 -9.968 4.451 1.00 0.00 C ATOM 927 C LYS A 55 -21.781 -11.401 4.366 1.00 0.00 C ATOM 928 O LYS A 55 -22.988 -11.639 4.328 1.00 0.00 O ATOM 929 CB LYS A 55 -21.614 -9.363 5.813 1.00 0.00 C ATOM 930 CG LYS A 55 -21.049 -7.967 6.015 1.00 0.00 C ATOM 931 CD LYS A 55 -21.577 -7.328 7.288 1.00 0.00 C ATOM 932 CE LYS A 55 -21.002 -5.938 7.487 1.00 0.00 C ATOM 933 NZ LYS A 55 -21.640 -5.234 8.630 1.00 0.00 N ATOM 0 H LYS A 55 -22.506 -8.452 3.707 1.00 0.00 H new ATOM 0 HA LYS A 55 -20.187 -9.987 4.333 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -22.698 -9.327 5.923 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -21.235 -10.017 6.599 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -19.961 -8.017 6.057 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -21.307 -7.342 5.160 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -22.665 -7.271 7.245 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -21.324 -7.954 8.144 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -19.928 -6.010 7.659 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -21.141 -5.354 6.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -21.220 -4.288 8.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -22.661 -5.142 8.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -21.486 -5.778 9.503 1.00 0.00 H new ATOM 947 N GLY A 56 -20.857 -12.347 4.324 1.00 0.00 N ATOM 948 CA GLY A 56 -21.229 -13.742 4.252 1.00 0.00 C ATOM 949 C GLY A 56 -20.715 -14.524 5.438 1.00 0.00 C ATOM 950 O GLY A 56 -21.434 -14.612 6.454 1.00 0.00 O ATOM 951 OXT GLY A 56 -19.581 -15.042 5.366 1.00 0.00 O ATOM 0 H GLY A 56 -19.852 -12.172 4.339 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -22.315 -13.826 4.205 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -20.835 -14.176 3.333 1.00 0.00 H new TER 955 GLY A 56 HETATM 956 ZN ZN A 57 7.204 9.381 -6.687 1.00 0.00 ZN