USER MOD reduce.3.24.130724 H: found=0, std=0, add=565, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 464 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 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 30 LYS NZ :NH3+ 167:sc= 0.217 (180deg=0) USER MOD Set 2.2: A 31 HIS : no HE2:sc= -0.364 X(o=-0.15,f=-0.11) USER MOD Single : A 1 MET CE :methyl -124:sc= 0 (180deg=-0.0797) USER MOD Single : A 1 MET N :NH3+ -166:sc=-0.00167 (180deg=-0.174) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 MET CE :methyl 138:sc= -3.87! (180deg=-7.33!) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -3.72 K(o=-3.7,f=-6.2!) USER MOD Single : A 25 TYR OH : rot 115:sc= -1.94! USER MOD Single : A 29 ASN : amide:sc= -0.0177 X(o=-0.018,f=-0.038) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=-0.0049) USER MOD Single : A 39 THR OG1 : rot 89:sc= 1.22 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= -0.0124 X(o=-0.012,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot -177:sc= -1.58 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -0.441 K(o=-0.44,f=-1.4) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.860 -11.147 4.237 1.00 0.00 N ATOM 2 CA MET A 1 -14.353 -10.189 3.262 1.00 0.00 C ATOM 3 C MET A 1 -13.410 -10.095 2.061 1.00 0.00 C ATOM 4 O MET A 1 -13.859 -10.001 0.920 1.00 0.00 O ATOM 5 CB MET A 1 -14.481 -8.813 3.919 1.00 0.00 C ATOM 6 CG MET A 1 -15.721 -8.075 3.408 1.00 0.00 C ATOM 7 SD MET A 1 -15.989 -6.594 4.368 1.00 0.00 S ATOM 8 CE MET A 1 -14.739 -5.536 3.661 1.00 0.00 C ATOM 0 H1 MET A 1 -14.615 -11.371 4.916 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.564 -12.017 3.750 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.048 -10.740 4.744 1.00 0.00 H new ATOM 0 HA MET A 1 -15.328 -10.526 2.910 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.541 -8.927 5.001 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.589 -8.222 3.710 1.00 0.00 H new ATOM 0 HG2 MET A 1 -15.594 -7.818 2.356 1.00 0.00 H new ATOM 0 HG3 MET A 1 -16.594 -8.724 3.475 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.082 -5.171 4.451 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.154 -6.099 2.934 1.00 0.00 H new ATOM 0 HE3 MET A 1 -15.216 -4.690 3.166 1.00 0.00 H new ATOM 16 N ALA A 2 -12.119 -10.124 2.358 1.00 0.00 N ATOM 17 CA ALA A 2 -11.109 -10.043 1.317 1.00 0.00 C ATOM 18 C ALA A 2 -10.399 -11.394 1.196 1.00 0.00 C ATOM 19 O ALA A 2 -10.890 -12.404 1.695 1.00 0.00 O ATOM 20 CB ALA A 2 -10.140 -8.902 1.632 1.00 0.00 C ATOM 0 H ALA A 2 -11.749 -10.203 3.305 1.00 0.00 H new ATOM 0 HA ALA A 2 -11.568 -9.823 0.353 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -9.382 -8.842 0.851 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -10.689 -7.961 1.679 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -9.658 -9.089 2.591 1.00 0.00 H new ATOM 26 N ASP A 3 -9.254 -11.366 0.529 1.00 0.00 N ATOM 27 CA ASP A 3 -8.472 -12.575 0.336 1.00 0.00 C ATOM 28 C ASP A 3 -7.193 -12.488 1.171 1.00 0.00 C ATOM 29 O ASP A 3 -6.626 -13.512 1.553 1.00 0.00 O ATOM 30 CB ASP A 3 -8.070 -12.742 -1.130 1.00 0.00 C ATOM 31 CG ASP A 3 -7.698 -14.169 -1.540 1.00 0.00 C ATOM 32 OD1 ASP A 3 -7.674 -15.032 -0.637 1.00 0.00 O ATOM 33 OD2 ASP A 3 -7.447 -14.365 -2.750 1.00 0.00 O ATOM 0 H ASP A 3 -8.850 -10.526 0.116 1.00 0.00 H new ATOM 0 HA ASP A 3 -9.083 -13.425 0.641 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -8.894 -12.403 -1.758 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -7.222 -12.088 -1.335 1.00 0.00 H new ATOM 37 N SER A 4 -6.774 -11.258 1.428 1.00 0.00 N ATOM 38 CA SER A 4 -5.573 -11.025 2.211 1.00 0.00 C ATOM 39 C SER A 4 -4.343 -11.052 1.301 1.00 0.00 C ATOM 40 O SER A 4 -3.479 -10.182 1.393 1.00 0.00 O ATOM 41 CB SER A 4 -5.430 -12.063 3.326 1.00 0.00 C ATOM 42 OG SER A 4 -4.753 -11.536 4.462 1.00 0.00 O ATOM 0 H SER A 4 -7.245 -10.412 1.108 1.00 0.00 H new ATOM 0 HA SER A 4 -5.654 -10.042 2.676 1.00 0.00 H new ATOM 0 HB2 SER A 4 -6.418 -12.414 3.623 1.00 0.00 H new ATOM 0 HB3 SER A 4 -4.885 -12.928 2.948 1.00 0.00 H new ATOM 0 HG SER A 4 -4.683 -12.229 5.152 1.00 0.00 H new ATOM 47 N ALA A 5 -4.302 -12.061 0.443 1.00 0.00 N ATOM 48 CA ALA A 5 -3.193 -12.213 -0.482 1.00 0.00 C ATOM 49 C ALA A 5 -3.381 -11.254 -1.660 1.00 0.00 C ATOM 50 O ALA A 5 -2.423 -10.929 -2.358 1.00 0.00 O ATOM 51 CB ALA A 5 -3.099 -13.673 -0.931 1.00 0.00 C ATOM 0 H ALA A 5 -5.020 -12.782 0.369 1.00 0.00 H new ATOM 0 HA ALA A 5 -2.251 -11.959 0.004 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -2.267 -13.787 -1.625 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -2.937 -14.311 -0.062 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -4.026 -13.962 -1.426 1.00 0.00 H new ATOM 57 N GLU A 6 -4.622 -10.827 -1.841 1.00 0.00 N ATOM 58 CA GLU A 6 -4.947 -9.911 -2.921 1.00 0.00 C ATOM 59 C GLU A 6 -4.421 -8.510 -2.606 1.00 0.00 C ATOM 60 O GLU A 6 -3.919 -7.817 -3.489 1.00 0.00 O ATOM 61 CB GLU A 6 -6.455 -9.884 -3.182 1.00 0.00 C ATOM 62 CG GLU A 6 -6.858 -8.619 -3.941 1.00 0.00 C ATOM 63 CD GLU A 6 -7.930 -8.926 -4.988 1.00 0.00 C ATOM 64 OE1 GLU A 6 -7.570 -9.565 -6.000 1.00 0.00 O ATOM 65 OE2 GLU A 6 -9.087 -8.513 -4.754 1.00 0.00 O ATOM 0 H GLU A 6 -5.414 -11.098 -1.258 1.00 0.00 H new ATOM 0 HA GLU A 6 -4.460 -10.265 -3.830 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -6.744 -10.764 -3.756 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -6.992 -9.931 -2.235 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -7.233 -7.874 -3.240 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -5.983 -8.188 -4.427 1.00 0.00 H new ATOM 70 N LEU A 7 -4.553 -8.133 -1.342 1.00 0.00 N ATOM 71 CA LEU A 7 -4.097 -6.827 -0.898 1.00 0.00 C ATOM 72 C LEU A 7 -2.588 -6.714 -1.125 1.00 0.00 C ATOM 73 O LEU A 7 -2.093 -5.659 -1.519 1.00 0.00 O ATOM 74 CB LEU A 7 -4.521 -6.574 0.550 1.00 0.00 C ATOM 75 CG LEU A 7 -6.010 -6.748 0.852 1.00 0.00 C ATOM 76 CD1 LEU A 7 -6.326 -6.351 2.296 1.00 0.00 C ATOM 77 CD2 LEU A 7 -6.868 -5.979 -0.154 1.00 0.00 C ATOM 0 H LEU A 7 -4.970 -8.710 -0.611 1.00 0.00 H new ATOM 0 HA LEU A 7 -4.569 -6.040 -1.486 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -3.958 -7.248 1.196 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -4.232 -5.558 0.820 1.00 0.00 H new ATOM 0 HG LEU A 7 -6.259 -7.804 0.746 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -7.391 -6.484 2.485 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -5.755 -6.979 2.979 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.057 -5.306 2.453 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.922 -6.120 0.084 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.624 -4.918 -0.104 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -6.670 -6.350 -1.160 1.00 0.00 H new ATOM 88 N LYS A 8 -1.900 -7.817 -0.870 1.00 0.00 N ATOM 89 CA LYS A 8 -0.457 -7.855 -1.041 1.00 0.00 C ATOM 90 C LYS A 8 -0.123 -7.775 -2.533 1.00 0.00 C ATOM 91 O LYS A 8 0.781 -7.042 -2.932 1.00 0.00 O ATOM 92 CB LYS A 8 0.133 -9.083 -0.344 1.00 0.00 C ATOM 93 CG LYS A 8 1.220 -8.676 0.654 1.00 0.00 C ATOM 94 CD LYS A 8 1.296 -9.669 1.816 1.00 0.00 C ATOM 95 CE LYS A 8 0.102 -9.502 2.758 1.00 0.00 C ATOM 96 NZ LYS A 8 -0.541 -10.811 3.015 1.00 0.00 N ATOM 0 H LYS A 8 -2.315 -8.691 -0.546 1.00 0.00 H new ATOM 0 HA LYS A 8 0.007 -6.992 -0.563 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.657 -9.626 0.174 1.00 0.00 H new ATOM 0 HB3 LYS A 8 0.552 -9.762 -1.087 1.00 0.00 H new ATOM 0 HG2 LYS A 8 2.184 -8.628 0.148 1.00 0.00 H new ATOM 0 HG3 LYS A 8 1.011 -7.677 1.037 1.00 0.00 H new ATOM 0 HD2 LYS A 8 1.318 -10.687 1.428 1.00 0.00 H new ATOM 0 HD3 LYS A 8 2.224 -9.518 2.368 1.00 0.00 H new ATOM 0 HE2 LYS A 8 0.432 -9.061 3.699 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.621 -8.814 2.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -1.350 -10.681 3.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -0.873 -11.217 2.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 0.147 -11.456 3.453 1.00 0.00 H new ATOM 106 N GLN A 9 -0.870 -8.539 -3.316 1.00 0.00 N ATOM 107 CA GLN A 9 -0.665 -8.564 -4.754 1.00 0.00 C ATOM 108 C GLN A 9 -0.842 -7.161 -5.339 1.00 0.00 C ATOM 109 O GLN A 9 -0.051 -6.732 -6.178 1.00 0.00 O ATOM 110 CB GLN A 9 -1.612 -9.561 -5.425 1.00 0.00 C ATOM 111 CG GLN A 9 -0.852 -10.467 -6.397 1.00 0.00 C ATOM 112 CD GLN A 9 -1.424 -10.354 -7.812 1.00 0.00 C ATOM 113 OE1 GLN A 9 -0.943 -9.602 -8.645 1.00 0.00 O ATOM 114 NE2 GLN A 9 -2.473 -11.139 -8.037 1.00 0.00 N ATOM 0 H GLN A 9 -1.619 -9.146 -2.981 1.00 0.00 H new ATOM 0 HA GLN A 9 0.355 -8.893 -4.951 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -2.105 -10.168 -4.666 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -2.394 -9.022 -5.960 1.00 0.00 H new ATOM 0 HG2 GLN A 9 0.203 -10.194 -6.405 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -0.912 -11.501 -6.058 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -2.825 -11.745 -7.296 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -2.926 -11.136 -8.951 1.00 0.00 H new ATOM 121 N MET A 10 -1.883 -6.487 -4.874 1.00 0.00 N ATOM 122 CA MET A 10 -2.173 -5.142 -5.342 1.00 0.00 C ATOM 123 C MET A 10 -1.147 -4.143 -4.806 1.00 0.00 C ATOM 124 O MET A 10 -0.737 -3.227 -5.517 1.00 0.00 O ATOM 125 CB MET A 10 -3.574 -4.733 -4.882 1.00 0.00 C ATOM 126 CG MET A 10 -4.642 -5.627 -5.516 1.00 0.00 C ATOM 127 SD MET A 10 -6.227 -5.319 -4.754 1.00 0.00 S ATOM 128 CE MET A 10 -6.237 -3.534 -4.772 1.00 0.00 C ATOM 0 H MET A 10 -2.536 -6.847 -4.178 1.00 0.00 H new ATOM 0 HA MET A 10 -2.123 -5.137 -6.431 1.00 0.00 H new ATOM 0 HB2 MET A 10 -3.638 -4.799 -3.796 1.00 0.00 H new ATOM 0 HB3 MET A 10 -3.759 -3.693 -5.150 1.00 0.00 H new ATOM 0 HG2 MET A 10 -4.701 -5.434 -6.587 1.00 0.00 H new ATOM 0 HG3 MET A 10 -4.369 -6.675 -5.396 1.00 0.00 H new ATOM 0 HE1 MET A 10 -7.226 -3.179 -5.062 1.00 0.00 H new ATOM 0 HE2 MET A 10 -5.994 -3.159 -3.778 1.00 0.00 H new ATOM 0 HE3 MET A 10 -5.497 -3.173 -5.487 1.00 0.00 H new ATOM 136 N VAL A 11 -0.763 -4.351 -3.555 1.00 0.00 N ATOM 137 CA VAL A 11 0.208 -3.479 -2.915 1.00 0.00 C ATOM 138 C VAL A 11 1.587 -3.720 -3.531 1.00 0.00 C ATOM 139 O VAL A 11 2.366 -2.783 -3.701 1.00 0.00 O ATOM 140 CB VAL A 11 0.184 -3.692 -1.401 1.00 0.00 C ATOM 141 CG1 VAL A 11 1.532 -3.327 -0.774 1.00 0.00 C ATOM 142 CG2 VAL A 11 -0.955 -2.901 -0.752 1.00 0.00 C ATOM 0 H VAL A 11 -1.107 -5.111 -2.967 1.00 0.00 H new ATOM 0 HA VAL A 11 -0.046 -2.433 -3.087 1.00 0.00 H new ATOM 0 HB VAL A 11 0.004 -4.751 -1.216 1.00 0.00 H new ATOM 0 HG11 VAL A 11 1.488 -3.488 0.303 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.314 -3.954 -1.202 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.755 -2.279 -0.976 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -0.949 -3.071 0.325 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -0.820 -1.838 -0.952 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -1.908 -3.230 -1.166 1.00 0.00 H new ATOM 152 N MET A 12 1.847 -4.980 -3.848 1.00 0.00 N ATOM 153 CA MET A 12 3.119 -5.355 -4.441 1.00 0.00 C ATOM 154 C MET A 12 3.356 -4.603 -5.752 1.00 0.00 C ATOM 155 O MET A 12 4.494 -4.473 -6.200 1.00 0.00 O ATOM 156 CB MET A 12 3.133 -6.862 -4.707 1.00 0.00 C ATOM 157 CG MET A 12 3.647 -7.629 -3.487 1.00 0.00 C ATOM 158 SD MET A 12 4.096 -9.292 -3.956 1.00 0.00 S ATOM 159 CE MET A 12 3.211 -10.215 -2.712 1.00 0.00 C ATOM 0 H MET A 12 1.198 -5.754 -3.705 1.00 0.00 H new ATOM 0 HA MET A 12 3.915 -5.092 -3.744 1.00 0.00 H new ATOM 0 HB2 MET A 12 2.127 -7.200 -4.957 1.00 0.00 H new ATOM 0 HB3 MET A 12 3.765 -7.077 -5.569 1.00 0.00 H new ATOM 0 HG2 MET A 12 4.510 -7.117 -3.062 1.00 0.00 H new ATOM 0 HG3 MET A 12 2.879 -7.655 -2.714 1.00 0.00 H new ATOM 0 HE1 MET A 12 3.383 -11.281 -2.859 1.00 0.00 H new ATOM 0 HE2 MET A 12 3.564 -9.923 -1.723 1.00 0.00 H new ATOM 0 HE3 MET A 12 2.145 -10.005 -2.793 1.00 0.00 H new ATOM 167 N SER A 13 2.263 -4.128 -6.331 1.00 0.00 N ATOM 168 CA SER A 13 2.337 -3.392 -7.581 1.00 0.00 C ATOM 169 C SER A 13 2.493 -1.895 -7.299 1.00 0.00 C ATOM 170 O SER A 13 3.274 -1.214 -7.961 1.00 0.00 O ATOM 171 CB SER A 13 1.098 -3.643 -8.444 1.00 0.00 C ATOM 172 OG SER A 13 1.210 -3.038 -9.728 1.00 0.00 O ATOM 0 H SER A 13 1.321 -4.239 -5.957 1.00 0.00 H new ATOM 0 HA SER A 13 3.208 -3.744 -8.133 1.00 0.00 H new ATOM 0 HB2 SER A 13 0.949 -4.716 -8.561 1.00 0.00 H new ATOM 0 HB3 SER A 13 0.217 -3.253 -7.935 1.00 0.00 H new ATOM 0 HG SER A 13 0.400 -3.223 -10.248 1.00 0.00 H new ATOM 177 N LEU A 14 1.736 -1.429 -6.317 1.00 0.00 N ATOM 178 CA LEU A 14 1.780 -0.027 -5.940 1.00 0.00 C ATOM 179 C LEU A 14 3.230 0.463 -5.982 1.00 0.00 C ATOM 180 O LEU A 14 4.161 -0.336 -5.901 1.00 0.00 O ATOM 181 CB LEU A 14 1.099 0.186 -4.586 1.00 0.00 C ATOM 182 CG LEU A 14 -0.422 0.025 -4.568 1.00 0.00 C ATOM 183 CD1 LEU A 14 -0.997 0.398 -3.201 1.00 0.00 C ATOM 184 CD2 LEU A 14 -1.072 0.822 -5.701 1.00 0.00 C ATOM 0 H LEU A 14 1.089 -1.998 -5.771 1.00 0.00 H new ATOM 0 HA LEU A 14 1.218 0.576 -6.653 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.527 -0.517 -3.872 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.343 1.188 -4.233 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.656 -1.026 -4.739 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.080 0.275 -3.216 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.568 -0.250 -2.437 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.753 1.436 -2.975 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -2.153 0.690 -5.665 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.832 1.879 -5.587 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.695 0.466 -6.660 1.00 0.00 H new ATOM 195 N ARG A 15 3.374 1.774 -6.110 1.00 0.00 N ATOM 196 CA ARG A 15 4.693 2.380 -6.164 1.00 0.00 C ATOM 197 C ARG A 15 5.007 3.088 -4.845 1.00 0.00 C ATOM 198 O ARG A 15 4.170 3.131 -3.945 1.00 0.00 O ATOM 199 CB ARG A 15 4.790 3.387 -7.311 1.00 0.00 C ATOM 200 CG ARG A 15 4.972 2.675 -8.654 1.00 0.00 C ATOM 201 CD ARG A 15 6.184 3.229 -9.407 1.00 0.00 C ATOM 202 NE ARG A 15 5.755 4.295 -10.340 1.00 0.00 N ATOM 203 CZ ARG A 15 6.510 4.764 -11.343 1.00 0.00 C ATOM 204 NH1 ARG A 15 7.736 4.263 -11.550 1.00 0.00 N ATOM 205 NH2 ARG A 15 6.038 5.732 -12.140 1.00 0.00 N ATOM 0 H ARG A 15 2.599 2.433 -6.178 1.00 0.00 H new ATOM 0 HA ARG A 15 5.417 1.583 -6.333 1.00 0.00 H new ATOM 0 HB2 ARG A 15 3.888 3.999 -7.339 1.00 0.00 H new ATOM 0 HB3 ARG A 15 5.628 4.062 -7.137 1.00 0.00 H new ATOM 0 HG2 ARG A 15 5.100 1.605 -8.488 1.00 0.00 H new ATOM 0 HG3 ARG A 15 4.075 2.799 -9.260 1.00 0.00 H new ATOM 0 HD2 ARG A 15 6.913 3.625 -8.699 1.00 0.00 H new ATOM 0 HD3 ARG A 15 6.677 2.428 -9.958 1.00 0.00 H new ATOM 0 HE ARG A 15 4.827 4.698 -10.212 1.00 0.00 H new ATOM 0 HH11 ARG A 15 8.094 3.525 -10.944 1.00 0.00 H new ATOM 0 HH12 ARG A 15 8.311 4.620 -12.313 1.00 0.00 H new ATOM 0 HH21 ARG A 15 5.104 6.112 -11.983 1.00 0.00 H new ATOM 0 HH22 ARG A 15 6.612 6.089 -12.903 1.00 0.00 H new ATOM 216 N VAL A 16 6.215 3.626 -4.771 1.00 0.00 N ATOM 217 CA VAL A 16 6.651 4.330 -3.578 1.00 0.00 C ATOM 218 C VAL A 16 5.680 5.476 -3.284 1.00 0.00 C ATOM 219 O VAL A 16 5.234 5.641 -2.149 1.00 0.00 O ATOM 220 CB VAL A 16 8.097 4.799 -3.744 1.00 0.00 C ATOM 221 CG1 VAL A 16 8.498 5.752 -2.616 1.00 0.00 C ATOM 222 CG2 VAL A 16 9.054 3.609 -3.822 1.00 0.00 C ATOM 0 H VAL A 16 6.907 3.588 -5.520 1.00 0.00 H new ATOM 0 HA VAL A 16 6.638 3.663 -2.716 1.00 0.00 H new ATOM 0 HB VAL A 16 8.165 5.346 -4.684 1.00 0.00 H new ATOM 0 HG11 VAL A 16 9.531 6.070 -2.758 1.00 0.00 H new ATOM 0 HG12 VAL A 16 7.845 6.624 -2.627 1.00 0.00 H new ATOM 0 HG13 VAL A 16 8.405 5.241 -1.658 1.00 0.00 H new ATOM 0 HG21 VAL A 16 10.075 3.971 -3.940 1.00 0.00 H new ATOM 0 HG22 VAL A 16 8.980 3.022 -2.906 1.00 0.00 H new ATOM 0 HG23 VAL A 16 8.789 2.985 -4.675 1.00 0.00 H new ATOM 232 N SER A 17 5.381 6.237 -4.327 1.00 0.00 N ATOM 233 CA SER A 17 4.472 7.363 -4.195 1.00 0.00 C ATOM 234 C SER A 17 3.122 6.885 -3.657 1.00 0.00 C ATOM 235 O SER A 17 2.517 7.544 -2.813 1.00 0.00 O ATOM 236 CB SER A 17 4.286 8.080 -5.534 1.00 0.00 C ATOM 237 OG SER A 17 4.769 9.419 -5.494 1.00 0.00 O ATOM 0 H SER A 17 5.752 6.096 -5.267 1.00 0.00 H new ATOM 0 HA SER A 17 4.906 8.073 -3.491 1.00 0.00 H new ATOM 0 HB2 SER A 17 4.809 7.529 -6.316 1.00 0.00 H new ATOM 0 HB3 SER A 17 3.229 8.084 -5.799 1.00 0.00 H new ATOM 0 HG SER A 17 4.634 9.842 -6.368 1.00 0.00 H new ATOM 242 N GLU A 18 2.689 5.741 -4.167 1.00 0.00 N ATOM 243 CA GLU A 18 1.422 5.167 -3.748 1.00 0.00 C ATOM 244 C GLU A 18 1.511 4.684 -2.299 1.00 0.00 C ATOM 245 O GLU A 18 0.599 4.916 -1.506 1.00 0.00 O ATOM 246 CB GLU A 18 1.000 4.030 -4.680 1.00 0.00 C ATOM 247 CG GLU A 18 1.132 4.444 -6.147 1.00 0.00 C ATOM 248 CD GLU A 18 0.471 5.802 -6.394 1.00 0.00 C ATOM 249 OE1 GLU A 18 0.995 6.796 -5.848 1.00 0.00 O ATOM 250 OE2 GLU A 18 -0.544 5.813 -7.124 1.00 0.00 O ATOM 0 H GLU A 18 3.193 5.196 -4.867 1.00 0.00 H new ATOM 0 HA GLU A 18 0.658 5.942 -3.806 1.00 0.00 H new ATOM 0 HB2 GLU A 18 1.617 3.152 -4.490 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.031 3.747 -4.470 1.00 0.00 H new ATOM 0 HG2 GLU A 18 2.186 4.493 -6.422 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.671 3.690 -6.785 1.00 0.00 H new ATOM 255 N LEU A 19 2.618 4.021 -1.997 1.00 0.00 N ATOM 256 CA LEU A 19 2.838 3.503 -0.657 1.00 0.00 C ATOM 257 C LEU A 19 3.037 4.672 0.310 1.00 0.00 C ATOM 258 O LEU A 19 2.603 4.613 1.459 1.00 0.00 O ATOM 259 CB LEU A 19 3.992 2.498 -0.654 1.00 0.00 C ATOM 260 CG LEU A 19 3.882 1.349 -1.657 1.00 0.00 C ATOM 261 CD1 LEU A 19 5.242 1.036 -2.286 1.00 0.00 C ATOM 262 CD2 LEU A 19 3.254 0.113 -1.008 1.00 0.00 C ATOM 0 H LEU A 19 3.372 3.831 -2.657 1.00 0.00 H new ATOM 0 HA LEU A 19 1.964 2.950 -0.313 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.918 3.038 -0.850 1.00 0.00 H new ATOM 0 HB3 LEU A 19 4.076 2.074 0.347 1.00 0.00 H new ATOM 0 HG LEU A 19 3.219 1.663 -2.463 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.135 0.215 -2.995 1.00 0.00 H new ATOM 0 HD12 LEU A 19 5.614 1.919 -2.806 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.947 0.751 -1.505 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.187 -0.689 -1.743 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.872 -0.212 -0.171 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.255 0.359 -0.648 1.00 0.00 H new ATOM 273 N GLN A 20 3.696 5.707 -0.191 1.00 0.00 N ATOM 274 CA GLN A 20 3.959 6.888 0.614 1.00 0.00 C ATOM 275 C GLN A 20 2.646 7.483 1.127 1.00 0.00 C ATOM 276 O GLN A 20 2.567 7.925 2.272 1.00 0.00 O ATOM 277 CB GLN A 20 4.759 7.924 -0.177 1.00 0.00 C ATOM 278 CG GLN A 20 6.251 7.587 -0.168 1.00 0.00 C ATOM 279 CD GLN A 20 7.100 8.859 -0.094 1.00 0.00 C ATOM 280 OE1 GLN A 20 6.614 9.945 0.175 1.00 0.00 O ATOM 281 NE2 GLN A 20 8.391 8.664 -0.348 1.00 0.00 N ATOM 0 H GLN A 20 4.056 5.752 -1.144 1.00 0.00 H new ATOM 0 HA GLN A 20 4.561 6.592 1.473 1.00 0.00 H new ATOM 0 HB2 GLN A 20 4.397 7.961 -1.204 1.00 0.00 H new ATOM 0 HB3 GLN A 20 4.603 8.914 0.252 1.00 0.00 H new ATOM 0 HG2 GLN A 20 6.477 6.944 0.683 1.00 0.00 H new ATOM 0 HG3 GLN A 20 6.506 7.027 -1.067 1.00 0.00 H new ATOM 0 HE21 GLN A 20 8.732 7.728 -0.567 1.00 0.00 H new ATOM 0 HE22 GLN A 20 9.040 9.451 -0.324 1.00 0.00 H new ATOM 288 N VAL A 21 1.649 7.475 0.255 1.00 0.00 N ATOM 289 CA VAL A 21 0.344 8.009 0.605 1.00 0.00 C ATOM 290 C VAL A 21 -0.308 7.105 1.653 1.00 0.00 C ATOM 291 O VAL A 21 -0.948 7.589 2.585 1.00 0.00 O ATOM 292 CB VAL A 21 -0.509 8.176 -0.654 1.00 0.00 C ATOM 293 CG1 VAL A 21 -1.583 7.090 -0.736 1.00 0.00 C ATOM 294 CG2 VAL A 21 -1.134 9.571 -0.713 1.00 0.00 C ATOM 0 H VAL A 21 1.719 7.107 -0.694 1.00 0.00 H new ATOM 0 HA VAL A 21 0.444 9.000 1.047 1.00 0.00 H new ATOM 0 HB VAL A 21 0.146 8.066 -1.519 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.175 7.232 -1.640 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.108 6.110 -0.764 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.232 7.154 0.137 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.735 9.662 -1.618 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -1.768 9.723 0.161 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.345 10.323 -0.724 1.00 0.00 H new ATOM 304 N LEU A 22 -0.122 5.807 1.465 1.00 0.00 N ATOM 305 CA LEU A 22 -0.685 4.830 2.382 1.00 0.00 C ATOM 306 C LEU A 22 -0.155 5.098 3.793 1.00 0.00 C ATOM 307 O LEU A 22 -0.916 5.071 4.760 1.00 0.00 O ATOM 308 CB LEU A 22 -0.414 3.408 1.884 1.00 0.00 C ATOM 309 CG LEU A 22 -1.044 3.038 0.540 1.00 0.00 C ATOM 310 CD1 LEU A 22 -1.127 1.520 0.374 1.00 0.00 C ATOM 311 CD2 LEU A 22 -2.409 3.709 0.370 1.00 0.00 C ATOM 0 H LEU A 22 0.410 5.409 0.691 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.770 4.927 2.423 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.665 3.270 1.808 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.773 2.706 2.637 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.400 3.415 -0.255 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.579 1.283 -0.589 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.125 1.094 0.420 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.737 1.099 1.174 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.835 3.429 -0.594 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.076 3.385 1.169 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.290 4.792 0.413 1.00 0.00 H new ATOM 322 N LEU A 23 1.142 5.351 3.865 1.00 0.00 N ATOM 323 CA LEU A 23 1.782 5.623 5.141 1.00 0.00 C ATOM 324 C LEU A 23 1.406 7.033 5.604 1.00 0.00 C ATOM 325 O LEU A 23 1.080 7.240 6.772 1.00 0.00 O ATOM 326 CB LEU A 23 3.291 5.389 5.045 1.00 0.00 C ATOM 327 CG LEU A 23 3.726 4.025 4.505 1.00 0.00 C ATOM 328 CD1 LEU A 23 5.146 3.682 4.961 1.00 0.00 C ATOM 329 CD2 LEU A 23 2.721 2.938 4.892 1.00 0.00 C ATOM 0 H LEU A 23 1.768 5.374 3.060 1.00 0.00 H new ATOM 0 HA LEU A 23 1.424 4.930 5.902 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.719 6.163 4.408 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.723 5.519 6.037 1.00 0.00 H new ATOM 0 HG LEU A 23 3.742 4.077 3.416 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.430 2.708 4.563 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.839 4.440 4.595 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.182 3.654 6.050 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.053 1.978 4.496 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.650 2.878 5.978 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.743 3.183 4.478 1.00 0.00 H new ATOM 340 N GLY A 24 1.465 7.965 4.664 1.00 0.00 N ATOM 341 CA GLY A 24 1.135 9.349 4.961 1.00 0.00 C ATOM 342 C GLY A 24 -0.309 9.475 5.450 1.00 0.00 C ATOM 343 O GLY A 24 -0.586 10.209 6.398 1.00 0.00 O ATOM 0 H GLY A 24 1.736 7.789 3.697 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.815 9.734 5.721 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.275 9.960 4.069 1.00 0.00 H new ATOM 347 N TYR A 25 -1.192 8.749 4.781 1.00 0.00 N ATOM 348 CA TYR A 25 -2.601 8.771 5.134 1.00 0.00 C ATOM 349 C TYR A 25 -2.855 7.989 6.425 1.00 0.00 C ATOM 350 O TYR A 25 -3.921 8.106 7.027 1.00 0.00 O ATOM 351 CB TYR A 25 -3.336 8.082 3.983 1.00 0.00 C ATOM 352 CG TYR A 25 -4.807 7.778 4.277 1.00 0.00 C ATOM 353 CD1 TYR A 25 -5.671 8.802 4.605 1.00 0.00 C ATOM 354 CD2 TYR A 25 -5.269 6.479 4.212 1.00 0.00 C ATOM 355 CE1 TYR A 25 -7.055 8.516 4.882 1.00 0.00 C ATOM 356 CE2 TYR A 25 -6.653 6.193 4.489 1.00 0.00 C ATOM 357 CZ TYR A 25 -7.477 7.226 4.809 1.00 0.00 C ATOM 358 OH TYR A 25 -8.785 6.955 5.070 1.00 0.00 O ATOM 0 H TYR A 25 -0.959 8.141 3.996 1.00 0.00 H new ATOM 0 HA TYR A 25 -2.940 9.795 5.293 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -3.276 8.714 3.097 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -2.824 7.150 3.744 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -5.309 9.819 4.654 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -4.593 5.677 3.954 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -7.742 9.308 5.142 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -7.028 5.181 4.444 1.00 0.00 H new ATOM 0 HH TYR A 25 -9.217 6.617 4.258 1.00 0.00 H new ATOM 367 N ALA A 26 -1.856 7.208 6.812 1.00 0.00 N ATOM 368 CA ALA A 26 -1.957 6.407 8.020 1.00 0.00 C ATOM 369 C ALA A 26 -1.162 7.080 9.140 1.00 0.00 C ATOM 370 O ALA A 26 -1.268 6.690 10.302 1.00 0.00 O ATOM 371 CB ALA A 26 -1.471 4.986 7.732 1.00 0.00 C ATOM 0 H ALA A 26 -0.973 7.113 6.310 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.994 6.336 8.349 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.547 4.385 8.638 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.087 4.542 6.950 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.432 5.016 7.403 1.00 0.00 H new ATOM 377 N GLY A 27 -0.383 8.080 8.753 1.00 0.00 N ATOM 378 CA GLY A 27 0.430 8.811 9.710 1.00 0.00 C ATOM 379 C GLY A 27 1.859 8.267 9.744 1.00 0.00 C ATOM 380 O GLY A 27 2.806 9.014 9.985 1.00 0.00 O ATOM 0 H GLY A 27 -0.298 8.401 7.789 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.446 9.868 9.446 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -0.015 8.737 10.702 1.00 0.00 H new ATOM 384 N ARG A 28 1.971 6.970 9.496 1.00 0.00 N ATOM 385 CA ARG A 28 3.270 6.318 9.495 1.00 0.00 C ATOM 386 C ARG A 28 4.277 7.142 8.691 1.00 0.00 C ATOM 387 O ARG A 28 3.896 7.883 7.785 1.00 0.00 O ATOM 388 CB ARG A 28 3.180 4.912 8.897 1.00 0.00 C ATOM 389 CG ARG A 28 2.301 4.005 9.761 1.00 0.00 C ATOM 390 CD ARG A 28 3.104 3.406 10.918 1.00 0.00 C ATOM 391 NE ARG A 28 3.205 4.385 12.024 1.00 0.00 N ATOM 392 CZ ARG A 28 4.137 4.339 12.985 1.00 0.00 C ATOM 393 NH1 ARG A 28 5.054 3.363 12.984 1.00 0.00 N ATOM 394 NH2 ARG A 28 4.153 5.271 13.949 1.00 0.00 N ATOM 0 H ARG A 28 1.184 6.353 9.294 1.00 0.00 H new ATOM 0 HA ARG A 28 3.603 6.240 10.530 1.00 0.00 H new ATOM 0 HB2 ARG A 28 2.771 4.967 7.888 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.179 4.484 8.813 1.00 0.00 H new ATOM 0 HG2 ARG A 28 1.459 4.575 10.154 1.00 0.00 H new ATOM 0 HG3 ARG A 28 1.885 3.205 9.149 1.00 0.00 H new ATOM 0 HD2 ARG A 28 2.623 2.494 11.271 1.00 0.00 H new ATOM 0 HD3 ARG A 28 4.101 3.129 10.575 1.00 0.00 H new ATOM 0 HE ARG A 28 2.522 5.142 12.056 1.00 0.00 H new ATOM 0 HH11 ARG A 28 5.043 2.654 12.251 1.00 0.00 H new ATOM 0 HH12 ARG A 28 5.763 3.329 13.716 1.00 0.00 H new ATOM 0 HH21 ARG A 28 3.455 6.015 13.951 1.00 0.00 H new ATOM 0 HH22 ARG A 28 4.863 5.236 14.681 1.00 0.00 H new ATOM 405 N ASN A 29 5.542 6.986 9.050 1.00 0.00 N ATOM 406 CA ASN A 29 6.608 7.707 8.374 1.00 0.00 C ATOM 407 C ASN A 29 6.926 7.012 7.049 1.00 0.00 C ATOM 408 O ASN A 29 7.149 5.802 7.016 1.00 0.00 O ATOM 409 CB ASN A 29 7.883 7.725 9.218 1.00 0.00 C ATOM 410 CG ASN A 29 8.939 8.642 8.596 1.00 0.00 C ATOM 411 OD1 ASN A 29 8.699 9.803 8.309 1.00 0.00 O ATOM 412 ND2 ASN A 29 10.118 8.057 8.406 1.00 0.00 N ATOM 0 H ASN A 29 5.854 6.370 9.801 1.00 0.00 H new ATOM 0 HA ASN A 29 6.272 8.731 8.210 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.651 8.064 10.227 1.00 0.00 H new ATOM 0 HB3 ASN A 29 8.280 6.714 9.305 1.00 0.00 H new ATOM 0 HD21 ASN A 29 10.889 8.585 7.997 1.00 0.00 H new ATOM 0 HD22 ASN A 29 10.251 7.081 8.669 1.00 0.00 H new ATOM 418 N LYS A 30 6.939 7.806 5.988 1.00 0.00 N ATOM 419 CA LYS A 30 7.227 7.281 4.664 1.00 0.00 C ATOM 420 C LYS A 30 8.637 7.705 4.249 1.00 0.00 C ATOM 421 O LYS A 30 9.550 7.731 5.073 1.00 0.00 O ATOM 422 CB LYS A 30 6.140 7.703 3.673 1.00 0.00 C ATOM 423 CG LYS A 30 6.269 9.186 3.316 1.00 0.00 C ATOM 424 CD LYS A 30 4.953 9.925 3.562 1.00 0.00 C ATOM 425 CE LYS A 30 5.038 10.795 4.818 1.00 0.00 C ATOM 426 NZ LYS A 30 5.158 12.224 4.451 1.00 0.00 N ATOM 0 H LYS A 30 6.755 8.809 6.018 1.00 0.00 H new ATOM 0 HA LYS A 30 7.211 6.191 4.673 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.214 7.100 2.768 1.00 0.00 H new ATOM 0 HB3 LYS A 30 5.157 7.513 4.103 1.00 0.00 H new ATOM 0 HG2 LYS A 30 7.062 9.639 3.911 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.558 9.288 2.270 1.00 0.00 H new ATOM 0 HD2 LYS A 30 4.715 10.548 2.700 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.142 9.205 3.669 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.150 10.644 5.433 1.00 0.00 H new ATOM 0 HE3 LYS A 30 5.896 10.494 5.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 4.994 12.813 5.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 6.112 12.408 4.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 4.452 12.456 3.723 1.00 0.00 H new ATOM 436 N HIS A 31 8.770 8.027 2.970 1.00 0.00 N ATOM 437 CA HIS A 31 10.055 8.448 2.436 1.00 0.00 C ATOM 438 C HIS A 31 11.041 7.281 2.488 1.00 0.00 C ATOM 439 O HIS A 31 11.775 7.127 3.463 1.00 0.00 O ATOM 440 CB HIS A 31 10.567 9.691 3.166 1.00 0.00 C ATOM 441 CG HIS A 31 9.672 10.899 3.026 1.00 0.00 C ATOM 442 ND1 HIS A 31 9.522 11.585 1.833 1.00 0.00 N ATOM 443 CD2 HIS A 31 8.882 11.535 3.938 1.00 0.00 C ATOM 444 CE1 HIS A 31 8.679 12.588 2.031 1.00 0.00 C ATOM 445 NE2 HIS A 31 8.284 12.555 3.336 1.00 0.00 N ATOM 0 H HIS A 31 8.011 8.005 2.289 1.00 0.00 H new ATOM 0 HA HIS A 31 9.941 8.734 1.390 1.00 0.00 H new ATOM 0 HB2 HIS A 31 10.681 9.457 4.224 1.00 0.00 H new ATOM 0 HB3 HIS A 31 11.558 9.940 2.786 1.00 0.00 H new ATOM 0 HD1 HIS A 31 9.982 11.357 0.952 1.00 0.00 H new ATOM 0 HD2 HIS A 31 8.763 11.256 4.974 1.00 0.00 H new ATOM 0 HE1 HIS A 31 8.361 13.306 1.289 1.00 0.00 H new ATOM 452 N GLY A 32 11.026 6.486 1.427 1.00 0.00 N ATOM 453 CA GLY A 32 11.911 5.337 1.341 1.00 0.00 C ATOM 454 C GLY A 32 11.766 4.635 -0.011 1.00 0.00 C ATOM 455 O GLY A 32 10.884 4.972 -0.798 1.00 0.00 O ATOM 0 H GLY A 32 10.415 6.615 0.620 1.00 0.00 H new ATOM 0 HA2 GLY A 32 12.944 5.657 1.480 1.00 0.00 H new ATOM 0 HA3 GLY A 32 11.684 4.637 2.145 1.00 0.00 H new ATOM 459 N ARG A 33 12.648 3.672 -0.238 1.00 0.00 N ATOM 460 CA ARG A 33 12.631 2.920 -1.481 1.00 0.00 C ATOM 461 C ARG A 33 11.406 2.003 -1.529 1.00 0.00 C ATOM 462 O ARG A 33 10.860 1.636 -0.490 1.00 0.00 O ATOM 463 CB ARG A 33 13.898 2.077 -1.633 1.00 0.00 C ATOM 464 CG ARG A 33 15.107 2.957 -1.949 1.00 0.00 C ATOM 465 CD ARG A 33 15.314 3.083 -3.460 1.00 0.00 C ATOM 466 NE ARG A 33 16.672 3.599 -3.745 1.00 0.00 N ATOM 467 CZ ARG A 33 17.015 4.226 -4.879 1.00 0.00 C ATOM 468 NH1 ARG A 33 16.102 4.417 -5.841 1.00 0.00 N ATOM 469 NH2 ARG A 33 18.271 4.660 -5.050 1.00 0.00 N ATOM 0 H ARG A 33 13.379 3.396 0.418 1.00 0.00 H new ATOM 0 HA ARG A 33 12.586 3.636 -2.302 1.00 0.00 H new ATOM 0 HB2 ARG A 33 14.080 1.519 -0.715 1.00 0.00 H new ATOM 0 HB3 ARG A 33 13.759 1.345 -2.428 1.00 0.00 H new ATOM 0 HG2 ARG A 33 14.965 3.946 -1.514 1.00 0.00 H new ATOM 0 HG3 ARG A 33 16.000 2.533 -1.490 1.00 0.00 H new ATOM 0 HD2 ARG A 33 15.178 2.112 -3.936 1.00 0.00 H new ATOM 0 HD3 ARG A 33 14.566 3.753 -3.883 1.00 0.00 H new ATOM 0 HE ARG A 33 17.392 3.469 -3.034 1.00 0.00 H new ATOM 0 HH11 ARG A 33 15.146 4.085 -5.710 1.00 0.00 H new ATOM 0 HH12 ARG A 33 16.363 4.894 -6.704 1.00 0.00 H new ATOM 0 HH21 ARG A 33 18.965 4.513 -4.318 1.00 0.00 H new ATOM 0 HH22 ARG A 33 18.533 5.137 -5.913 1.00 0.00 H new ATOM 480 N LYS A 34 11.012 1.658 -2.746 1.00 0.00 N ATOM 481 CA LYS A 34 9.863 0.791 -2.943 1.00 0.00 C ATOM 482 C LYS A 34 9.982 -0.424 -2.019 1.00 0.00 C ATOM 483 O LYS A 34 9.006 -0.826 -1.388 1.00 0.00 O ATOM 484 CB LYS A 34 9.714 0.426 -4.421 1.00 0.00 C ATOM 485 CG LYS A 34 8.417 -0.348 -4.667 1.00 0.00 C ATOM 486 CD LYS A 34 8.641 -1.491 -5.659 1.00 0.00 C ATOM 487 CE LYS A 34 9.371 -2.660 -4.994 1.00 0.00 C ATOM 488 NZ LYS A 34 8.743 -3.946 -5.373 1.00 0.00 N ATOM 0 H LYS A 34 11.468 1.963 -3.606 1.00 0.00 H new ATOM 0 HA LYS A 34 8.944 1.310 -2.672 1.00 0.00 H new ATOM 0 HB2 LYS A 34 9.721 1.333 -5.026 1.00 0.00 H new ATOM 0 HB3 LYS A 34 10.566 -0.175 -4.738 1.00 0.00 H new ATOM 0 HG2 LYS A 34 8.043 -0.748 -3.724 1.00 0.00 H new ATOM 0 HG3 LYS A 34 7.653 0.328 -5.052 1.00 0.00 H new ATOM 0 HD2 LYS A 34 7.682 -1.831 -6.049 1.00 0.00 H new ATOM 0 HD3 LYS A 34 9.221 -1.131 -6.509 1.00 0.00 H new ATOM 0 HE2 LYS A 34 10.419 -2.659 -5.292 1.00 0.00 H new ATOM 0 HE3 LYS A 34 9.347 -2.542 -3.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 9.250 -4.729 -4.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 7.749 -3.950 -5.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 8.788 -4.063 -6.405 1.00 0.00 H new ATOM 498 N HIS A 35 11.187 -0.973 -1.969 1.00 0.00 N ATOM 499 CA HIS A 35 11.445 -2.133 -1.134 1.00 0.00 C ATOM 500 C HIS A 35 11.134 -1.793 0.326 1.00 0.00 C ATOM 501 O HIS A 35 10.646 -2.640 1.073 1.00 0.00 O ATOM 502 CB HIS A 35 12.876 -2.637 -1.333 1.00 0.00 C ATOM 503 CG HIS A 35 13.029 -4.131 -1.169 1.00 0.00 C ATOM 504 ND1 HIS A 35 13.290 -4.979 -2.231 1.00 0.00 N ATOM 505 CD2 HIS A 35 12.957 -4.918 -0.057 1.00 0.00 C ATOM 506 CE1 HIS A 35 13.367 -6.218 -1.767 1.00 0.00 C ATOM 507 NE2 HIS A 35 13.161 -6.178 -0.419 1.00 0.00 N ATOM 0 H HIS A 35 11.995 -0.636 -2.493 1.00 0.00 H new ATOM 0 HA HIS A 35 10.788 -2.952 -1.428 1.00 0.00 H new ATOM 0 HB2 HIS A 35 13.215 -2.355 -2.330 1.00 0.00 H new ATOM 0 HB3 HIS A 35 13.530 -2.135 -0.620 1.00 0.00 H new ATOM 0 HD2 HIS A 35 12.766 -4.573 0.949 1.00 0.00 H new ATOM 0 HE1 HIS A 35 13.559 -7.104 -2.353 1.00 0.00 H new ATOM 0 HE2 HIS A 35 13.163 -6.983 0.207 1.00 0.00 H new ATOM 514 N GLU A 36 11.430 -0.554 0.688 1.00 0.00 N ATOM 515 CA GLU A 36 11.188 -0.093 2.044 1.00 0.00 C ATOM 516 C GLU A 36 9.687 0.058 2.293 1.00 0.00 C ATOM 517 O GLU A 36 9.165 -0.438 3.291 1.00 0.00 O ATOM 518 CB GLU A 36 11.924 1.221 2.316 1.00 0.00 C ATOM 519 CG GLU A 36 13.420 0.978 2.530 1.00 0.00 C ATOM 520 CD GLU A 36 13.748 0.863 4.021 1.00 0.00 C ATOM 521 OE1 GLU A 36 13.325 -0.149 4.619 1.00 0.00 O ATOM 522 OE2 GLU A 36 14.414 1.792 4.528 1.00 0.00 O ATOM 0 H GLU A 36 11.835 0.145 0.066 1.00 0.00 H new ATOM 0 HA GLU A 36 11.578 -0.840 2.736 1.00 0.00 H new ATOM 0 HB2 GLU A 36 11.779 1.903 1.478 1.00 0.00 H new ATOM 0 HB3 GLU A 36 11.501 1.703 3.197 1.00 0.00 H new ATOM 0 HG2 GLU A 36 13.721 0.065 2.016 1.00 0.00 H new ATOM 0 HG3 GLU A 36 13.992 1.795 2.090 1.00 0.00 H new ATOM 527 N LEU A 37 9.032 0.747 1.369 1.00 0.00 N ATOM 528 CA LEU A 37 7.600 0.969 1.476 1.00 0.00 C ATOM 529 C LEU A 37 6.873 -0.376 1.418 1.00 0.00 C ATOM 530 O LEU A 37 5.919 -0.602 2.161 1.00 0.00 O ATOM 531 CB LEU A 37 7.132 1.966 0.414 1.00 0.00 C ATOM 532 CG LEU A 37 7.602 3.410 0.597 1.00 0.00 C ATOM 533 CD1 LEU A 37 6.557 4.238 1.347 1.00 0.00 C ATOM 534 CD2 LEU A 37 8.970 3.459 1.281 1.00 0.00 C ATOM 0 H LEU A 37 9.467 1.159 0.543 1.00 0.00 H new ATOM 0 HA LEU A 37 7.356 1.422 2.437 1.00 0.00 H new ATOM 0 HB2 LEU A 37 7.472 1.615 -0.560 1.00 0.00 H new ATOM 0 HB3 LEU A 37 6.042 1.959 0.393 1.00 0.00 H new ATOM 0 HG LEU A 37 7.718 3.858 -0.390 1.00 0.00 H new ATOM 0 HD11 LEU A 37 6.917 5.260 1.463 1.00 0.00 H new ATOM 0 HD12 LEU A 37 5.624 4.244 0.783 1.00 0.00 H new ATOM 0 HD13 LEU A 37 6.384 3.801 2.330 1.00 0.00 H new ATOM 0 HD21 LEU A 37 9.281 4.497 1.399 1.00 0.00 H new ATOM 0 HD22 LEU A 37 8.904 2.986 2.261 1.00 0.00 H new ATOM 0 HD23 LEU A 37 9.701 2.928 0.671 1.00 0.00 H new ATOM 545 N LEU A 38 7.352 -1.234 0.530 1.00 0.00 N ATOM 546 CA LEU A 38 6.760 -2.551 0.366 1.00 0.00 C ATOM 547 C LEU A 38 6.823 -3.303 1.697 1.00 0.00 C ATOM 548 O LEU A 38 5.813 -3.820 2.171 1.00 0.00 O ATOM 549 CB LEU A 38 7.424 -3.296 -0.793 1.00 0.00 C ATOM 550 CG LEU A 38 6.668 -3.277 -2.123 1.00 0.00 C ATOM 551 CD1 LEU A 38 5.711 -4.468 -2.227 1.00 0.00 C ATOM 552 CD2 LEU A 38 5.947 -1.943 -2.325 1.00 0.00 C ATOM 0 H LEU A 38 8.144 -1.043 -0.084 1.00 0.00 H new ATOM 0 HA LEU A 38 5.707 -2.465 0.098 1.00 0.00 H new ATOM 0 HB2 LEU A 38 8.414 -2.869 -0.954 1.00 0.00 H new ATOM 0 HB3 LEU A 38 7.570 -4.334 -0.495 1.00 0.00 H new ATOM 0 HG LEU A 38 7.394 -3.376 -2.930 1.00 0.00 H new ATOM 0 HD11 LEU A 38 5.186 -4.431 -3.182 1.00 0.00 H new ATOM 0 HD12 LEU A 38 6.277 -5.397 -2.160 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.987 -4.425 -1.413 1.00 0.00 H new ATOM 0 HD21 LEU A 38 5.418 -1.956 -3.278 1.00 0.00 H new ATOM 0 HD22 LEU A 38 5.233 -1.789 -1.516 1.00 0.00 H new ATOM 0 HD23 LEU A 38 6.675 -1.132 -2.326 1.00 0.00 H new ATOM 563 N THR A 39 8.020 -3.339 2.265 1.00 0.00 N ATOM 564 CA THR A 39 8.228 -4.018 3.531 1.00 0.00 C ATOM 565 C THR A 39 7.391 -3.364 4.631 1.00 0.00 C ATOM 566 O THR A 39 6.863 -4.050 5.507 1.00 0.00 O ATOM 567 CB THR A 39 9.730 -4.016 3.828 1.00 0.00 C ATOM 568 OG1 THR A 39 10.303 -4.706 2.721 1.00 0.00 O ATOM 569 CG2 THR A 39 10.089 -4.886 5.035 1.00 0.00 C ATOM 0 H THR A 39 8.856 -2.908 1.870 1.00 0.00 H new ATOM 0 HA THR A 39 7.893 -5.054 3.483 1.00 0.00 H new ATOM 0 HB THR A 39 10.064 -2.994 4.005 1.00 0.00 H new ATOM 0 HG1 THR A 39 10.509 -4.066 2.008 1.00 0.00 H new ATOM 0 HG21 THR A 39 11.165 -4.850 5.202 1.00 0.00 H new ATOM 0 HG22 THR A 39 9.572 -4.513 5.919 1.00 0.00 H new ATOM 0 HG23 THR A 39 9.786 -5.916 4.844 1.00 0.00 H new ATOM 577 N LYS A 40 7.294 -2.045 4.552 1.00 0.00 N ATOM 578 CA LYS A 40 6.528 -1.290 5.530 1.00 0.00 C ATOM 579 C LYS A 40 5.038 -1.567 5.328 1.00 0.00 C ATOM 580 O LYS A 40 4.300 -1.750 6.295 1.00 0.00 O ATOM 581 CB LYS A 40 6.893 0.194 5.465 1.00 0.00 C ATOM 582 CG LYS A 40 8.064 0.512 6.398 1.00 0.00 C ATOM 583 CD LYS A 40 8.581 1.933 6.164 1.00 0.00 C ATOM 584 CE LYS A 40 9.878 1.918 5.352 1.00 0.00 C ATOM 585 NZ LYS A 40 10.988 2.500 6.140 1.00 0.00 N ATOM 0 H LYS A 40 7.733 -1.479 3.826 1.00 0.00 H new ATOM 0 HA LYS A 40 6.777 -1.612 6.541 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.155 0.463 4.442 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.028 0.797 5.742 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.747 0.403 7.435 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.870 -0.204 6.233 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.825 2.517 5.638 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.753 2.424 7.122 1.00 0.00 H new ATOM 0 HE2 LYS A 40 10.124 0.895 5.066 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.743 2.483 4.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 11.861 2.483 5.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 10.758 3.483 6.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 11.126 1.944 7.008 1.00 0.00 H new ATOM 595 N ALA A 41 4.638 -1.589 4.065 1.00 0.00 N ATOM 596 CA ALA A 41 3.248 -1.840 3.724 1.00 0.00 C ATOM 597 C ALA A 41 2.874 -3.263 4.142 1.00 0.00 C ATOM 598 O ALA A 41 1.821 -3.482 4.739 1.00 0.00 O ATOM 599 CB ALA A 41 3.036 -1.596 2.228 1.00 0.00 C ATOM 0 H ALA A 41 5.252 -1.437 3.265 1.00 0.00 H new ATOM 0 HA ALA A 41 2.592 -1.155 4.261 1.00 0.00 H new ATOM 0 HB1 ALA A 41 1.993 -1.784 1.973 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.287 -0.563 1.989 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.677 -2.267 1.656 1.00 0.00 H new ATOM 605 N LEU A 42 3.757 -4.194 3.812 1.00 0.00 N ATOM 606 CA LEU A 42 3.533 -5.590 4.145 1.00 0.00 C ATOM 607 C LEU A 42 3.450 -5.740 5.666 1.00 0.00 C ATOM 608 O LEU A 42 2.564 -6.420 6.178 1.00 0.00 O ATOM 609 CB LEU A 42 4.601 -6.474 3.497 1.00 0.00 C ATOM 610 CG LEU A 42 4.590 -6.526 1.968 1.00 0.00 C ATOM 611 CD1 LEU A 42 4.881 -7.942 1.466 1.00 0.00 C ATOM 612 CD2 LEU A 42 3.275 -5.979 1.410 1.00 0.00 C ATOM 0 H LEU A 42 4.629 -4.008 3.317 1.00 0.00 H new ATOM 0 HA LEU A 42 2.581 -5.931 3.738 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.581 -6.124 3.822 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.484 -7.489 3.876 1.00 0.00 H new ATOM 0 HG LEU A 42 5.388 -5.883 1.598 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.867 -7.952 0.376 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.862 -8.259 1.819 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.121 -8.626 1.844 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.294 -6.027 0.321 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.444 -6.576 1.786 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.149 -4.943 1.725 1.00 0.00 H new ATOM 623 N HIS A 43 4.387 -5.094 6.343 1.00 0.00 N ATOM 624 CA HIS A 43 4.432 -5.147 7.795 1.00 0.00 C ATOM 625 C HIS A 43 3.157 -4.528 8.370 1.00 0.00 C ATOM 626 O HIS A 43 2.710 -4.911 9.451 1.00 0.00 O ATOM 627 CB HIS A 43 5.705 -4.483 8.325 1.00 0.00 C ATOM 628 CG HIS A 43 5.881 -4.597 9.820 1.00 0.00 C ATOM 629 ND1 HIS A 43 6.582 -3.665 10.565 1.00 0.00 N ATOM 630 CD2 HIS A 43 5.440 -5.542 10.699 1.00 0.00 C ATOM 631 CE1 HIS A 43 6.558 -4.041 11.835 1.00 0.00 C ATOM 632 NE2 HIS A 43 5.850 -5.205 11.916 1.00 0.00 N ATOM 0 H HIS A 43 5.121 -4.531 5.914 1.00 0.00 H new ATOM 0 HA HIS A 43 4.471 -6.186 8.123 1.00 0.00 H new ATOM 0 HB2 HIS A 43 6.568 -4.931 7.833 1.00 0.00 H new ATOM 0 HB3 HIS A 43 5.694 -3.428 8.050 1.00 0.00 H new ATOM 0 HD2 HIS A 43 4.857 -6.416 10.448 1.00 0.00 H new ATOM 0 HE1 HIS A 43 7.018 -3.518 12.661 1.00 0.00 H new ATOM 0 HE2 HIS A 43 5.666 -5.730 12.771 1.00 0.00 H new ATOM 639 N LEU A 44 2.608 -3.581 7.624 1.00 0.00 N ATOM 640 CA LEU A 44 1.394 -2.905 8.046 1.00 0.00 C ATOM 641 C LEU A 44 0.233 -3.903 8.045 1.00 0.00 C ATOM 642 O LEU A 44 -0.606 -3.885 8.943 1.00 0.00 O ATOM 643 CB LEU A 44 1.141 -1.667 7.183 1.00 0.00 C ATOM 644 CG LEU A 44 1.423 -0.318 7.847 1.00 0.00 C ATOM 645 CD1 LEU A 44 0.891 0.834 6.993 1.00 0.00 C ATOM 646 CD2 LEU A 44 0.866 -0.280 9.270 1.00 0.00 C ATOM 0 H LEU A 44 2.982 -3.266 6.729 1.00 0.00 H new ATOM 0 HA LEU A 44 1.499 -2.537 9.067 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.754 -1.743 6.285 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.100 -1.680 6.860 1.00 0.00 H new ATOM 0 HG LEU A 44 2.503 -0.193 7.921 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.104 1.782 7.487 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.375 0.817 6.017 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.186 0.725 6.866 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.080 0.690 9.719 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -0.212 -0.437 9.243 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.332 -1.066 9.864 1.00 0.00 H new ATOM 657 N LEU A 45 0.223 -4.749 7.026 1.00 0.00 N ATOM 658 CA LEU A 45 -0.820 -5.752 6.897 1.00 0.00 C ATOM 659 C LEU A 45 -0.783 -6.680 8.112 1.00 0.00 C ATOM 660 O LEU A 45 -1.808 -6.917 8.748 1.00 0.00 O ATOM 661 CB LEU A 45 -0.696 -6.485 5.559 1.00 0.00 C ATOM 662 CG LEU A 45 -1.374 -5.815 4.361 1.00 0.00 C ATOM 663 CD1 LEU A 45 -0.390 -5.640 3.202 1.00 0.00 C ATOM 664 CD2 LEU A 45 -2.626 -6.586 3.939 1.00 0.00 C ATOM 0 H LEU A 45 0.921 -4.761 6.282 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.803 -5.280 6.886 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.363 -6.606 5.331 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.114 -7.485 5.675 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.696 -4.818 4.663 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.897 -5.162 2.364 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.445 -5.018 3.524 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.016 -6.616 2.891 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.089 -6.089 3.086 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.350 -7.603 3.661 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.332 -6.615 4.769 1.00 0.00 H new ATOM 675 N LYS A 46 0.410 -7.182 8.397 1.00 0.00 N ATOM 676 CA LYS A 46 0.594 -8.079 9.524 1.00 0.00 C ATOM 677 C LYS A 46 0.430 -7.294 10.828 1.00 0.00 C ATOM 678 O LYS A 46 0.054 -7.858 11.854 1.00 0.00 O ATOM 679 CB LYS A 46 1.931 -8.814 9.414 1.00 0.00 C ATOM 680 CG LYS A 46 1.745 -10.201 8.794 1.00 0.00 C ATOM 681 CD LYS A 46 2.097 -10.188 7.305 1.00 0.00 C ATOM 682 CE LYS A 46 3.591 -10.434 7.093 1.00 0.00 C ATOM 683 NZ LYS A 46 3.809 -11.366 5.964 1.00 0.00 N ATOM 0 H LYS A 46 1.258 -6.984 7.866 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.171 -8.856 9.519 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.622 -8.230 8.806 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.379 -8.911 10.403 1.00 0.00 H new ATOM 0 HG2 LYS A 46 2.375 -10.923 9.314 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.713 -10.526 8.924 1.00 0.00 H new ATOM 0 HD2 LYS A 46 1.521 -10.954 6.785 1.00 0.00 H new ATOM 0 HD3 LYS A 46 1.817 -9.228 6.870 1.00 0.00 H new ATOM 0 HE2 LYS A 46 4.096 -9.489 6.895 1.00 0.00 H new ATOM 0 HE3 LYS A 46 4.030 -10.846 8.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 4.829 -11.522 5.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 3.343 -12.273 6.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 3.408 -10.959 5.095 1.00 0.00 H new ATOM 693 N ALA A 47 0.721 -6.004 10.744 1.00 0.00 N ATOM 694 CA ALA A 47 0.611 -5.136 11.904 1.00 0.00 C ATOM 695 C ALA A 47 -0.814 -4.586 11.991 1.00 0.00 C ATOM 696 O ALA A 47 -1.085 -3.675 12.772 1.00 0.00 O ATOM 697 CB ALA A 47 1.660 -4.025 11.811 1.00 0.00 C ATOM 0 H ALA A 47 1.033 -5.539 9.891 1.00 0.00 H new ATOM 0 HA ALA A 47 0.806 -5.693 12.820 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.578 -3.373 12.681 1.00 0.00 H new ATOM 0 HB2 ALA A 47 2.656 -4.467 11.781 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.494 -3.443 10.905 1.00 0.00 H new ATOM 703 N GLY A 48 -1.687 -5.163 11.178 1.00 0.00 N ATOM 704 CA GLY A 48 -3.077 -4.742 11.153 1.00 0.00 C ATOM 705 C GLY A 48 -3.211 -3.324 10.594 1.00 0.00 C ATOM 706 O GLY A 48 -2.743 -2.364 11.206 1.00 0.00 O ATOM 0 H GLY A 48 -1.458 -5.918 10.532 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -3.659 -5.433 10.544 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -3.490 -4.780 12.161 1.00 0.00 H new ATOM 710 N CYS A 49 -3.853 -3.236 9.438 1.00 0.00 N ATOM 711 CA CYS A 49 -4.053 -1.951 8.790 1.00 0.00 C ATOM 712 C CYS A 49 -5.558 -1.732 8.613 1.00 0.00 C ATOM 713 O CYS A 49 -6.268 -2.623 8.148 1.00 0.00 O ATOM 714 CB CYS A 49 -3.305 -1.865 7.459 1.00 0.00 C ATOM 715 SG CYS A 49 -2.533 -0.215 7.281 1.00 0.00 S ATOM 0 H CYS A 49 -4.241 -4.033 8.934 1.00 0.00 H new ATOM 0 HA CYS A 49 -3.641 -1.158 9.415 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -2.540 -2.640 7.411 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -3.993 -2.045 6.633 1.00 0.00 H new ATOM 0 HG CYS A 49 -1.952 -0.131 6.121 1.00 0.00 H new ATOM 720 N SER A 50 -5.999 -0.543 8.995 1.00 0.00 N ATOM 721 CA SER A 50 -7.406 -0.196 8.884 1.00 0.00 C ATOM 722 C SER A 50 -7.902 -0.467 7.463 1.00 0.00 C ATOM 723 O SER A 50 -7.101 -0.621 6.541 1.00 0.00 O ATOM 724 CB SER A 50 -7.644 1.268 9.260 1.00 0.00 C ATOM 725 OG SER A 50 -8.192 1.402 10.568 1.00 0.00 O ATOM 0 H SER A 50 -5.407 0.192 9.382 1.00 0.00 H new ATOM 0 HA SER A 50 -7.967 -0.818 9.582 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.702 1.814 9.204 1.00 0.00 H new ATOM 0 HB3 SER A 50 -8.320 1.723 8.536 1.00 0.00 H new ATOM 0 HG SER A 50 -8.327 2.351 10.770 1.00 0.00 H new ATOM 730 N PRO A 51 -9.254 -0.518 7.325 1.00 0.00 N ATOM 731 CA PRO A 51 -9.866 -0.768 6.031 1.00 0.00 C ATOM 732 C PRO A 51 -9.788 0.473 5.139 1.00 0.00 C ATOM 733 O PRO A 51 -10.048 0.397 3.939 1.00 0.00 O ATOM 734 CB PRO A 51 -11.293 -1.184 6.345 1.00 0.00 C ATOM 735 CG PRO A 51 -11.565 -0.708 7.762 1.00 0.00 C ATOM 736 CD PRO A 51 -10.232 -0.341 8.394 1.00 0.00 C ATOM 0 HA PRO A 51 -9.353 -1.547 5.466 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -11.994 -0.735 5.641 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -11.411 -2.265 6.267 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -12.234 0.153 7.754 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -12.059 -1.490 8.339 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -10.237 0.686 8.760 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -10.008 -0.983 9.246 1.00 0.00 H new ATOM 741 N ALA A 52 -9.427 1.587 5.760 1.00 0.00 N ATOM 742 CA ALA A 52 -9.311 2.842 5.037 1.00 0.00 C ATOM 743 C ALA A 52 -8.092 2.784 4.114 1.00 0.00 C ATOM 744 O ALA A 52 -8.157 3.219 2.966 1.00 0.00 O ATOM 745 CB ALA A 52 -9.234 4.000 6.034 1.00 0.00 C ATOM 0 H ALA A 52 -9.211 1.646 6.755 1.00 0.00 H new ATOM 0 HA ALA A 52 -10.189 3.008 4.412 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -9.147 4.942 5.492 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -10.137 4.015 6.645 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -8.363 3.870 6.677 1.00 0.00 H new ATOM 751 N VAL A 53 -7.009 2.244 4.652 1.00 0.00 N ATOM 752 CA VAL A 53 -5.776 2.124 3.892 1.00 0.00 C ATOM 753 C VAL A 53 -5.956 1.064 2.802 1.00 0.00 C ATOM 754 O VAL A 53 -5.431 1.208 1.699 1.00 0.00 O ATOM 755 CB VAL A 53 -4.608 1.822 4.833 1.00 0.00 C ATOM 756 CG1 VAL A 53 -3.278 1.837 4.078 1.00 0.00 C ATOM 757 CG2 VAL A 53 -4.582 2.802 6.007 1.00 0.00 C ATOM 0 H VAL A 53 -6.959 1.884 5.605 1.00 0.00 H new ATOM 0 HA VAL A 53 -5.540 3.065 3.395 1.00 0.00 H new ATOM 0 HB VAL A 53 -4.754 0.820 5.236 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -2.464 1.619 4.770 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.297 1.082 3.292 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -3.123 2.820 3.633 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.742 2.565 6.660 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -4.473 3.819 5.630 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.513 2.722 6.569 1.00 0.00 H new ATOM 767 N GLN A 54 -6.699 0.024 3.151 1.00 0.00 N ATOM 768 CA GLN A 54 -6.954 -1.059 2.216 1.00 0.00 C ATOM 769 C GLN A 54 -7.667 -0.530 0.971 1.00 0.00 C ATOM 770 O GLN A 54 -7.400 -0.981 -0.141 1.00 0.00 O ATOM 771 CB GLN A 54 -7.764 -2.175 2.878 1.00 0.00 C ATOM 772 CG GLN A 54 -7.035 -2.728 4.106 1.00 0.00 C ATOM 773 CD GLN A 54 -7.923 -3.708 4.875 1.00 0.00 C ATOM 774 OE1 GLN A 54 -9.046 -3.997 4.497 1.00 0.00 O ATOM 775 NE2 GLN A 54 -7.358 -4.200 5.974 1.00 0.00 N ATOM 0 H GLN A 54 -7.132 -0.092 4.067 1.00 0.00 H new ATOM 0 HA GLN A 54 -5.997 -1.481 1.910 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -8.742 -1.794 3.172 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -7.937 -2.978 2.161 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -6.119 -3.229 3.794 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -6.742 -1.907 4.760 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -6.413 -3.916 6.233 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -7.869 -4.862 6.558 1.00 0.00 H new ATOM 782 N MET A 55 -8.560 0.423 1.200 1.00 0.00 N ATOM 783 CA MET A 55 -9.314 1.018 0.110 1.00 0.00 C ATOM 784 C MET A 55 -8.408 1.868 -0.783 1.00 0.00 C ATOM 785 O MET A 55 -8.582 1.899 -2.000 1.00 0.00 O ATOM 786 CB MET A 55 -10.433 1.893 0.681 1.00 0.00 C ATOM 787 CG MET A 55 -11.409 1.059 1.513 1.00 0.00 C ATOM 788 SD MET A 55 -12.846 0.649 0.539 1.00 0.00 S ATOM 789 CE MET A 55 -13.057 -1.062 1.002 1.00 0.00 C ATOM 0 H MET A 55 -8.778 0.797 2.124 1.00 0.00 H new ATOM 0 HA MET A 55 -9.739 0.216 -0.493 1.00 0.00 H new ATOM 0 HB2 MET A 55 -10.004 2.681 1.299 1.00 0.00 H new ATOM 0 HB3 MET A 55 -10.969 2.382 -0.133 1.00 0.00 H new ATOM 0 HG2 MET A 55 -10.920 0.147 1.856 1.00 0.00 H new ATOM 0 HG3 MET A 55 -11.708 1.614 2.402 1.00 0.00 H new ATOM 0 HE1 MET A 55 -13.919 -1.477 0.480 1.00 0.00 H new ATOM 0 HE2 MET A 55 -12.164 -1.625 0.732 1.00 0.00 H new ATOM 0 HE3 MET A 55 -13.217 -1.131 2.078 1.00 0.00 H new ATOM 797 N LYS A 56 -7.460 2.537 -0.144 1.00 0.00 N ATOM 798 CA LYS A 56 -6.526 3.386 -0.865 1.00 0.00 C ATOM 799 C LYS A 56 -5.704 2.527 -1.829 1.00 0.00 C ATOM 800 O LYS A 56 -5.265 3.006 -2.873 1.00 0.00 O ATOM 801 CB LYS A 56 -5.675 4.198 0.112 1.00 0.00 C ATOM 802 CG LYS A 56 -4.899 5.297 -0.617 1.00 0.00 C ATOM 803 CD LYS A 56 -5.849 6.357 -1.180 1.00 0.00 C ATOM 804 CE LYS A 56 -5.500 7.746 -0.642 1.00 0.00 C ATOM 805 NZ LYS A 56 -6.653 8.662 -0.790 1.00 0.00 N ATOM 0 H LYS A 56 -7.318 2.509 0.866 1.00 0.00 H new ATOM 0 HA LYS A 56 -7.064 4.118 -1.467 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -6.315 4.644 0.873 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -4.978 3.538 0.628 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -4.192 5.764 0.069 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -4.316 4.859 -1.427 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -5.793 6.360 -2.269 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -6.876 6.108 -0.915 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -5.216 7.675 0.408 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -4.639 8.145 -1.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -6.400 9.601 -0.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -6.906 8.742 -1.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -7.464 8.287 -0.258 1.00 0.00 H new ATOM 815 N ILE A 57 -5.520 1.273 -1.443 1.00 0.00 N ATOM 816 CA ILE A 57 -4.759 0.342 -2.260 1.00 0.00 C ATOM 817 C ILE A 57 -5.543 0.033 -3.538 1.00 0.00 C ATOM 818 O ILE A 57 -4.957 -0.108 -4.610 1.00 0.00 O ATOM 819 CB ILE A 57 -4.388 -0.902 -1.451 1.00 0.00 C ATOM 820 CG1 ILE A 57 -3.565 -0.527 -0.216 1.00 0.00 C ATOM 821 CG2 ILE A 57 -3.670 -1.931 -2.326 1.00 0.00 C ATOM 822 CD1 ILE A 57 -3.504 -1.689 0.776 1.00 0.00 C ATOM 0 H ILE A 57 -5.885 0.880 -0.575 1.00 0.00 H new ATOM 0 HA ILE A 57 -3.813 0.789 -2.565 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.308 -1.366 -1.097 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -2.555 -0.249 -0.518 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -4.005 0.346 0.267 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.417 -2.806 -1.726 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -4.323 -2.230 -3.146 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.758 -1.492 -2.730 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -2.913 -1.396 1.644 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -4.513 -1.949 1.095 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -3.042 -2.552 0.297 1.00 0.00 H new ATOM 833 N LYS A 58 -6.854 -0.064 -3.380 1.00 0.00 N ATOM 834 CA LYS A 58 -7.724 -0.354 -4.509 1.00 0.00 C ATOM 835 C LYS A 58 -7.760 0.856 -5.444 1.00 0.00 C ATOM 836 O LYS A 58 -7.693 0.706 -6.662 1.00 0.00 O ATOM 837 CB LYS A 58 -9.105 -0.795 -4.020 1.00 0.00 C ATOM 838 CG LYS A 58 -9.008 -2.068 -3.176 1.00 0.00 C ATOM 839 CD LYS A 58 -10.165 -2.155 -2.179 1.00 0.00 C ATOM 840 CE LYS A 58 -11.250 -3.111 -2.679 1.00 0.00 C ATOM 841 NZ LYS A 58 -12.573 -2.451 -2.660 1.00 0.00 N ATOM 0 H LYS A 58 -7.336 0.053 -2.489 1.00 0.00 H new ATOM 0 HA LYS A 58 -7.333 -1.191 -5.087 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -9.558 0.002 -3.431 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -9.758 -0.970 -4.875 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -9.018 -2.942 -3.827 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -8.059 -2.081 -2.639 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -9.792 -2.496 -1.213 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -10.592 -1.164 -2.024 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -11.015 -3.439 -3.692 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -11.273 -4.003 -2.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -13.297 -3.115 -3.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -12.802 -2.160 -1.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -12.552 -1.613 -3.276 1.00 0.00 H new ATOM 851 N GLU A 59 -7.865 2.030 -4.837 1.00 0.00 N ATOM 852 CA GLU A 59 -7.911 3.266 -5.601 1.00 0.00 C ATOM 853 C GLU A 59 -6.597 3.470 -6.358 1.00 0.00 C ATOM 854 O GLU A 59 -6.604 3.737 -7.559 1.00 0.00 O ATOM 855 CB GLU A 59 -8.213 4.460 -4.694 1.00 0.00 C ATOM 856 CG GLU A 59 -9.385 4.154 -3.757 1.00 0.00 C ATOM 857 CD GLU A 59 -10.471 5.226 -3.871 1.00 0.00 C ATOM 858 OE1 GLU A 59 -10.143 6.399 -3.586 1.00 0.00 O ATOM 859 OE2 GLU A 59 -11.604 4.849 -4.239 1.00 0.00 O ATOM 0 H GLU A 59 -7.919 2.151 -3.826 1.00 0.00 H new ATOM 0 HA GLU A 59 -8.719 3.192 -6.329 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -7.329 4.708 -4.107 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -8.447 5.333 -5.302 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -9.805 3.178 -4.001 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -9.029 4.100 -2.728 1.00 0.00 H new ATOM 864 N LEU A 60 -5.502 3.339 -5.624 1.00 0.00 N ATOM 865 CA LEU A 60 -4.183 3.506 -6.210 1.00 0.00 C ATOM 866 C LEU A 60 -4.021 2.528 -7.377 1.00 0.00 C ATOM 867 O LEU A 60 -3.545 2.906 -8.446 1.00 0.00 O ATOM 868 CB LEU A 60 -3.099 3.371 -5.139 1.00 0.00 C ATOM 869 CG LEU A 60 -3.119 4.422 -4.029 1.00 0.00 C ATOM 870 CD1 LEU A 60 -2.495 3.876 -2.744 1.00 0.00 C ATOM 871 CD2 LEU A 60 -2.445 5.717 -4.487 1.00 0.00 C ATOM 0 H LEU A 60 -5.501 3.119 -4.628 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.071 4.511 -6.617 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -3.189 2.386 -4.681 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.126 3.407 -5.629 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.159 4.661 -3.806 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.522 4.644 -1.971 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.057 3.004 -2.409 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.461 3.590 -2.935 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.473 6.447 -3.678 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.409 5.513 -4.755 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.973 6.115 -5.354 1.00 0.00 H new ATOM 882 N TYR A 61 -4.425 1.291 -7.130 1.00 0.00 N ATOM 883 CA TYR A 61 -4.330 0.257 -8.147 1.00 0.00 C ATOM 884 C TYR A 61 -5.332 0.505 -9.277 1.00 0.00 C ATOM 885 O TYR A 61 -5.012 0.308 -10.448 1.00 0.00 O ATOM 886 CB TYR A 61 -4.686 -1.057 -7.446 1.00 0.00 C ATOM 887 CG TYR A 61 -4.327 -2.308 -8.250 1.00 0.00 C ATOM 888 CD1 TYR A 61 -3.016 -2.734 -8.313 1.00 0.00 C ATOM 889 CD2 TYR A 61 -5.313 -3.010 -8.912 1.00 0.00 C ATOM 890 CE1 TYR A 61 -2.677 -3.911 -9.070 1.00 0.00 C ATOM 891 CE2 TYR A 61 -4.976 -4.187 -9.668 1.00 0.00 C ATOM 892 CZ TYR A 61 -3.673 -4.580 -9.710 1.00 0.00 C ATOM 893 OH TYR A 61 -3.354 -5.693 -10.424 1.00 0.00 O ATOM 0 H TYR A 61 -4.819 0.981 -6.241 1.00 0.00 H new ATOM 0 HA TYR A 61 -3.332 0.241 -8.586 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -4.172 -1.095 -6.485 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -5.756 -1.067 -7.236 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -2.244 -2.185 -7.795 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -6.339 -2.676 -8.863 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -1.655 -4.255 -9.128 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -5.739 -4.746 -10.190 1.00 0.00 H new ATOM 0 HH TYR A 61 -4.166 -6.068 -10.826 1.00 0.00 H new ATOM 902 N ARG A 62 -6.522 0.935 -8.886 1.00 0.00 N ATOM 903 CA ARG A 62 -7.572 1.212 -9.852 1.00 0.00 C ATOM 904 C ARG A 62 -7.175 2.389 -10.744 1.00 0.00 C ATOM 905 O ARG A 62 -7.471 2.397 -11.938 1.00 0.00 O ATOM 906 CB ARG A 62 -8.894 1.535 -9.152 1.00 0.00 C ATOM 907 CG ARG A 62 -9.686 0.258 -8.861 1.00 0.00 C ATOM 908 CD ARG A 62 -11.189 0.499 -9.021 1.00 0.00 C ATOM 909 NE ARG A 62 -11.546 0.543 -10.456 1.00 0.00 N ATOM 910 CZ ARG A 62 -12.775 0.807 -10.917 1.00 0.00 C ATOM 911 NH1 ARG A 62 -13.774 1.053 -10.058 1.00 0.00 N ATOM 912 NH2 ARG A 62 -13.007 0.826 -12.236 1.00 0.00 N ATOM 0 H ARG A 62 -6.783 1.099 -7.914 1.00 0.00 H new ATOM 0 HA ARG A 62 -7.706 0.318 -10.461 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -8.696 2.065 -8.220 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -9.488 2.201 -9.778 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -9.367 -0.535 -9.537 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -9.474 -0.083 -7.848 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -11.747 -0.294 -8.523 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -11.468 1.436 -8.540 1.00 0.00 H new ATOM 0 HE ARG A 62 -10.809 0.361 -11.137 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -13.598 1.039 -9.053 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -14.710 1.254 -10.409 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -12.247 0.639 -12.890 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -13.944 1.027 -12.586 1.00 0.00 H new ATOM 923 N ARG A 63 -6.509 3.358 -10.131 1.00 0.00 N ATOM 924 CA ARG A 63 -6.067 4.537 -10.853 1.00 0.00 C ATOM 925 C ARG A 63 -4.861 4.201 -11.732 1.00 0.00 C ATOM 926 O ARG A 63 -4.733 4.718 -12.841 1.00 0.00 O ATOM 927 CB ARG A 63 -5.691 5.665 -9.891 1.00 0.00 C ATOM 928 CG ARG A 63 -6.937 6.394 -9.386 1.00 0.00 C ATOM 929 CD ARG A 63 -6.561 7.690 -8.665 1.00 0.00 C ATOM 930 NE ARG A 63 -7.737 8.232 -7.949 1.00 0.00 N ATOM 931 CZ ARG A 63 -7.678 9.221 -7.047 1.00 0.00 C ATOM 932 NH1 ARG A 63 -6.499 9.782 -6.744 1.00 0.00 N ATOM 933 NH2 ARG A 63 -8.797 9.649 -6.448 1.00 0.00 N ATOM 0 H ARG A 63 -6.265 3.349 -9.141 1.00 0.00 H new ATOM 0 HA ARG A 63 -6.895 4.871 -11.479 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.137 5.257 -9.046 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -5.031 6.372 -10.394 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -7.596 6.619 -10.225 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -7.493 5.745 -8.709 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -5.751 7.502 -7.960 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -6.194 8.422 -9.384 1.00 0.00 H new ATOM 0 HE ARG A 63 -8.650 7.827 -8.155 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -5.647 9.456 -7.200 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -6.454 10.535 -6.057 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -9.694 9.222 -6.679 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -8.752 10.402 -5.761 1.00 0.00 H new ATOM 944 N ARG A 64 -4.007 3.338 -11.203 1.00 0.00 N ATOM 945 CA ARG A 64 -2.815 2.927 -11.925 1.00 0.00 C ATOM 946 C ARG A 64 -2.960 1.484 -12.412 1.00 0.00 C ATOM 947 O ARG A 64 -2.049 0.674 -12.247 1.00 0.00 O ATOM 948 CB ARG A 64 -1.570 3.036 -11.041 1.00 0.00 C ATOM 949 CG ARG A 64 -1.156 4.497 -10.856 1.00 0.00 C ATOM 950 CD ARG A 64 0.256 4.597 -10.275 1.00 0.00 C ATOM 951 NE ARG A 64 1.055 5.572 -11.051 1.00 0.00 N ATOM 952 CZ ARG A 64 1.657 5.291 -12.215 1.00 0.00 C ATOM 953 NH1 ARG A 64 1.554 4.064 -12.744 1.00 0.00 N ATOM 954 NH2 ARG A 64 2.362 6.238 -12.850 1.00 0.00 N ATOM 0 H ARG A 64 -4.117 2.912 -10.283 1.00 0.00 H new ATOM 0 HA ARG A 64 -2.700 3.593 -12.780 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -1.769 2.585 -10.069 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -0.750 2.476 -11.491 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -1.196 5.014 -11.815 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -1.862 4.998 -10.194 1.00 0.00 H new ATOM 0 HD2 ARG A 64 0.207 4.904 -9.230 1.00 0.00 H new ATOM 0 HD3 ARG A 64 0.738 3.619 -10.298 1.00 0.00 H new ATOM 0 HE ARG A 64 1.153 6.516 -10.677 1.00 0.00 H new ATOM 0 HH11 ARG A 64 1.017 3.344 -12.261 1.00 0.00 H new ATOM 0 HH12 ARG A 64 2.012 3.850 -13.630 1.00 0.00 H new ATOM 0 HH21 ARG A 64 2.440 7.172 -12.447 1.00 0.00 H new ATOM 0 HH22 ARG A 64 2.820 6.025 -13.736 1.00 0.00 H new ATOM 965 N PHE A 65 -4.113 1.206 -13.003 1.00 0.00 N ATOM 966 CA PHE A 65 -4.390 -0.126 -13.516 1.00 0.00 C ATOM 967 C PHE A 65 -3.139 -0.742 -14.143 1.00 0.00 C ATOM 968 O PHE A 65 -2.537 -1.651 -13.572 1.00 0.00 O ATOM 969 CB PHE A 65 -5.465 0.026 -14.593 1.00 0.00 C ATOM 970 CG PHE A 65 -6.747 -0.760 -14.307 1.00 0.00 C ATOM 971 CD1 PHE A 65 -7.385 -0.610 -13.115 1.00 0.00 C ATOM 972 CD2 PHE A 65 -7.248 -1.607 -15.244 1.00 0.00 C ATOM 973 CE1 PHE A 65 -8.574 -1.338 -12.850 1.00 0.00 C ATOM 974 CE2 PHE A 65 -8.438 -2.336 -14.979 1.00 0.00 C ATOM 975 CZ PHE A 65 -9.075 -2.187 -13.787 1.00 0.00 C ATOM 0 H PHE A 65 -4.866 1.880 -13.138 1.00 0.00 H new ATOM 0 HA PHE A 65 -4.715 -0.778 -12.705 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -5.714 1.082 -14.697 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -5.056 -0.301 -15.549 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.987 0.063 -12.370 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -6.741 -1.726 -16.190 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -9.081 -1.218 -11.904 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -8.837 -3.008 -15.724 1.00 0.00 H new ATOM 0 HZ PHE A 65 -9.979 -2.743 -13.584 1.00 0.00 H new TER 984 PHE A 65