USER MOD reduce.3.24.130724 H: found=0, std=0, add=938, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 938 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 42 MET CE :methyl -161:sc= -0.533 (180deg=-1.47) USER MOD Set 1.2: A 78 TYR OH : rot 53:sc= 0.352 USER MOD Set 2.1: A 36 SER OG : rot -50:sc= 0.717 USER MOD Set 2.2: A 44 THR OG1 : rot -91:sc= 0.996 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -176:sc= 0 (180deg=-0.00883) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.0186 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 HIS : no HD1:sc= 0.428 K(o=0.43,f=-3.2!) USER MOD Single : A 10 GLN : amide:sc= -2.96! C(o=-3!,f=-8.1!) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 21 HIS : no HD1:sc= -0.108 X(o=-0.11,f=-0.21) USER MOD Single : A 22 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 23 HIS : no HD1:sc= 0 X(o=0,f=-0.056) USER MOD Single : A 26 ASN : amide:sc= 0.0824 K(o=0.082,f=-3.6!) USER MOD Single : A 30 GLN : amide:sc= -2.42! X(o=-2.4!,f=-2.1) USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 33 GLN : amide:sc= -0.0361 K(o=-0.036,f=-6!) USER MOD Single : A 35 ASN : amide:sc= -5.06! C(o=-5.1!,f=-4.8!) USER MOD Single : A 37 THR OG1 : rot -24:sc= 0.384 USER MOD Single : A 38 GLN : amide:sc= -0.0128 X(o=-0.013,f=0) USER MOD Single : A 45 MET CE :methyl 161:sc= -0.431 (180deg=-1.09) USER MOD Single : A 52 GLN : amide:sc= -1.67! C(o=-1.7!,f=-5!) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 HIS : no HD1:sc= -1.62! K(o=-1.6!,f=0.44) USER MOD Single : A 65 ASN : amide:sc=-0.00179 K(o=-0.0018,f=0.82) USER MOD Single : A 66 LYS NZ :NH3+ 160:sc= 0.417 (180deg=-0.0602) USER MOD Single : A 67 GLN : amide:sc= -1.64! K(o=-1.6!,f=-0.11) USER MOD Single : A 79 TYR OH : rot -153:sc= 0.802 USER MOD Single : A 81 MET CE :methyl -149:sc= -1.03 (180deg=-1.78!) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.0587 USER MOD Single : A 87 HIS : no HD1:sc= -0.0156 X(o=-0.016,f=-0.01) USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 99 LYS NZ :NH3+ 157:sc= -0.976! (180deg=-2.28!) USER MOD Single : A 109 SER OG : rot 180:sc= 0.0261 USER MOD Single : A 112 HIS : no HD1:sc= -1.47 K(o=-1.5,f=0.23) USER MOD Single : A 113 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 114 HIS : no HD1:sc= -0.0138 X(o=-0.014,f=0) USER MOD Single : A 115 HIS : no HD1:sc=-0.00033 X(o=-0.00033,f=-0.00033) USER MOD Single : A 116 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 117 HIS : no HD1:sc=-0.00207 X(o=-0.0021,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -18.081 -4.171 4.640 1.00 0.00 N ATOM 2 CA MET A 1 -18.290 -3.141 3.594 1.00 0.00 C ATOM 3 C MET A 1 -17.361 -1.945 3.792 1.00 0.00 C ATOM 4 O MET A 1 -16.415 -1.747 3.028 1.00 0.00 O ATOM 5 CB MET A 1 -19.741 -2.652 3.596 1.00 0.00 C ATOM 6 CG MET A 1 -20.754 -3.687 3.141 1.00 0.00 C ATOM 7 SD MET A 1 -22.438 -3.031 3.125 1.00 0.00 S ATOM 8 CE MET A 1 -23.348 -4.434 2.478 1.00 0.00 C ATOM 0 H1 MET A 1 -18.679 -4.998 4.437 1.00 0.00 H new ATOM 0 H2 MET A 1 -17.082 -4.460 4.648 1.00 0.00 H new ATOM 0 H3 MET A 1 -18.336 -3.779 5.569 1.00 0.00 H new ATOM 0 HA MET A 1 -18.063 -3.608 2.636 1.00 0.00 H new ATOM 0 HB2 MET A 1 -20.000 -2.327 4.603 1.00 0.00 H new ATOM 0 HB3 MET A 1 -19.818 -1.778 2.949 1.00 0.00 H new ATOM 0 HG2 MET A 1 -20.492 -4.035 2.142 1.00 0.00 H new ATOM 0 HG3 MET A 1 -20.709 -4.552 3.802 1.00 0.00 H new ATOM 0 HE1 MET A 1 -24.406 -4.181 2.410 1.00 0.00 H new ATOM 0 HE2 MET A 1 -22.971 -4.687 1.487 1.00 0.00 H new ATOM 0 HE3 MET A 1 -23.221 -5.288 3.143 1.00 0.00 H new ATOM 20 N THR A 2 -17.632 -1.174 4.845 1.00 0.00 N ATOM 21 CA THR A 2 -16.988 0.117 5.081 1.00 0.00 C ATOM 22 C THR A 2 -15.455 0.037 5.077 1.00 0.00 C ATOM 23 O THR A 2 -14.780 0.971 4.637 1.00 0.00 O ATOM 24 CB THR A 2 -17.467 0.696 6.426 1.00 0.00 C ATOM 25 OG1 THR A 2 -18.897 0.579 6.515 1.00 0.00 O ATOM 26 CG2 THR A 2 -17.068 2.156 6.570 1.00 0.00 C ATOM 0 H THR A 2 -18.310 -1.430 5.563 1.00 0.00 H new ATOM 0 HA THR A 2 -17.276 0.768 4.256 1.00 0.00 H new ATOM 0 HB THR A 2 -16.994 0.132 7.230 1.00 0.00 H new ATOM 0 HG1 THR A 2 -19.203 0.945 7.371 1.00 0.00 H new ATOM 0 HG21 THR A 2 -17.420 2.536 7.529 1.00 0.00 H new ATOM 0 HG22 THR A 2 -15.983 2.243 6.521 1.00 0.00 H new ATOM 0 HG23 THR A 2 -17.515 2.737 5.763 1.00 0.00 H new ATOM 34 N THR A 3 -14.915 -1.085 5.542 1.00 0.00 N ATOM 35 CA THR A 3 -13.468 -1.272 5.626 1.00 0.00 C ATOM 36 C THR A 3 -12.786 -1.059 4.270 1.00 0.00 C ATOM 37 O THR A 3 -11.645 -0.602 4.203 1.00 0.00 O ATOM 38 CB THR A 3 -13.139 -2.682 6.155 1.00 0.00 C ATOM 39 OG1 THR A 3 -13.828 -2.902 7.392 1.00 0.00 O ATOM 40 CG2 THR A 3 -11.641 -2.866 6.365 1.00 0.00 C ATOM 0 H THR A 3 -15.460 -1.883 5.868 1.00 0.00 H new ATOM 0 HA THR A 3 -13.084 -0.523 6.319 1.00 0.00 H new ATOM 0 HB THR A 3 -13.466 -3.407 5.410 1.00 0.00 H new ATOM 0 HG1 THR A 3 -13.620 -3.799 7.727 1.00 0.00 H new ATOM 0 HG21 THR A 3 -11.447 -3.871 6.738 1.00 0.00 H new ATOM 0 HG22 THR A 3 -11.121 -2.724 5.418 1.00 0.00 H new ATOM 0 HG23 THR A 3 -11.283 -2.135 7.089 1.00 0.00 H new ATOM 48 N HIS A 4 -13.503 -1.355 3.191 1.00 0.00 N ATOM 49 CA HIS A 4 -12.931 -1.274 1.850 1.00 0.00 C ATOM 50 C HIS A 4 -12.568 0.161 1.479 1.00 0.00 C ATOM 51 O HIS A 4 -11.581 0.394 0.786 1.00 0.00 O ATOM 52 CB HIS A 4 -13.889 -1.870 0.811 1.00 0.00 C ATOM 53 CG HIS A 4 -14.059 -3.353 0.951 1.00 0.00 C ATOM 54 ND1 HIS A 4 -15.260 -4.004 0.778 1.00 0.00 N ATOM 55 CD2 HIS A 4 -13.157 -4.312 1.263 1.00 0.00 C ATOM 56 CE1 HIS A 4 -15.087 -5.296 0.978 1.00 0.00 C ATOM 57 NE2 HIS A 4 -13.820 -5.512 1.278 1.00 0.00 N ATOM 0 H HIS A 4 -14.478 -1.652 3.217 1.00 0.00 H new ATOM 0 HA HIS A 4 -12.012 -1.860 1.853 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -14.862 -1.388 0.904 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -13.517 -1.646 -0.189 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -12.107 -4.160 1.464 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -15.855 -6.052 0.908 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -13.404 -6.420 1.486 1.00 0.00 H new ATOM 66 N ASP A 5 -13.338 1.125 1.959 1.00 0.00 N ATOM 67 CA ASP A 5 -13.069 2.519 1.630 1.00 0.00 C ATOM 68 C ASP A 5 -11.998 3.090 2.549 1.00 0.00 C ATOM 69 O ASP A 5 -11.226 3.964 2.152 1.00 0.00 O ATOM 70 CB ASP A 5 -14.337 3.363 1.713 1.00 0.00 C ATOM 71 CG ASP A 5 -14.122 4.746 1.133 1.00 0.00 C ATOM 72 OD1 ASP A 5 -13.980 4.856 -0.103 1.00 0.00 O ATOM 73 OD2 ASP A 5 -14.081 5.727 1.901 1.00 0.00 O ATOM 0 H ASP A 5 -14.142 0.974 2.568 1.00 0.00 H new ATOM 0 HA ASP A 5 -12.706 2.552 0.603 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -15.144 2.864 1.176 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -14.651 3.448 2.753 1.00 0.00 H new ATOM 78 N ARG A 6 -11.937 2.573 3.770 1.00 0.00 N ATOM 79 CA ARG A 6 -10.923 3.001 4.729 1.00 0.00 C ATOM 80 C ARG A 6 -9.530 2.667 4.209 1.00 0.00 C ATOM 81 O ARG A 6 -8.580 3.424 4.412 1.00 0.00 O ATOM 82 CB ARG A 6 -11.137 2.332 6.085 1.00 0.00 C ATOM 83 CG ARG A 6 -12.482 2.637 6.721 1.00 0.00 C ATOM 84 CD ARG A 6 -12.548 2.100 8.140 1.00 0.00 C ATOM 85 NE ARG A 6 -13.845 2.344 8.768 1.00 0.00 N ATOM 86 CZ ARG A 6 -14.115 3.401 9.531 1.00 0.00 C ATOM 87 NH1 ARG A 6 -13.195 4.338 9.723 1.00 0.00 N ATOM 88 NH2 ARG A 6 -15.304 3.522 10.103 1.00 0.00 N ATOM 0 H ARG A 6 -12.575 1.859 4.120 1.00 0.00 H new ATOM 0 HA ARG A 6 -11.013 4.080 4.854 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -11.040 1.253 5.965 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -10.346 2.650 6.764 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -12.649 3.714 6.728 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -13.279 2.195 6.124 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -12.348 1.029 8.130 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -11.764 2.565 8.738 1.00 0.00 H new ATOM 0 HE ARG A 6 -14.588 1.663 8.612 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -12.278 4.250 9.285 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -13.405 5.147 10.308 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -16.015 2.804 9.959 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -15.509 4.333 10.687 1.00 0.00 H new ATOM 102 N VAL A 7 -9.419 1.530 3.531 1.00 0.00 N ATOM 103 CA VAL A 7 -8.159 1.119 2.925 1.00 0.00 C ATOM 104 C VAL A 7 -7.746 2.111 1.840 1.00 0.00 C ATOM 105 O VAL A 7 -6.564 2.400 1.662 1.00 0.00 O ATOM 106 CB VAL A 7 -8.257 -0.301 2.320 1.00 0.00 C ATOM 107 CG1 VAL A 7 -6.925 -0.732 1.726 1.00 0.00 C ATOM 108 CG2 VAL A 7 -8.723 -1.302 3.367 1.00 0.00 C ATOM 0 H VAL A 7 -10.188 0.876 3.387 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.405 1.103 3.712 1.00 0.00 H new ATOM 0 HB VAL A 7 -8.994 -0.274 1.518 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -7.021 -1.734 1.307 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.635 -0.036 0.939 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.163 -0.736 2.506 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -8.785 -2.294 2.920 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -8.013 -1.320 4.194 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -9.705 -1.010 3.738 1.00 0.00 H new ATOM 118 N ARG A 8 -8.734 2.658 1.140 1.00 0.00 N ATOM 119 CA ARG A 8 -8.479 3.630 0.086 1.00 0.00 C ATOM 120 C ARG A 8 -7.844 4.882 0.674 1.00 0.00 C ATOM 121 O ARG A 8 -6.954 5.484 0.075 1.00 0.00 O ATOM 122 CB ARG A 8 -9.775 4.010 -0.625 1.00 0.00 C ATOM 123 CG ARG A 8 -9.547 4.758 -1.923 1.00 0.00 C ATOM 124 CD ARG A 8 -10.711 5.674 -2.262 1.00 0.00 C ATOM 125 NE ARG A 8 -12.008 5.017 -2.116 1.00 0.00 N ATOM 126 CZ ARG A 8 -12.849 4.800 -3.124 1.00 0.00 C ATOM 127 NH1 ARG A 8 -12.516 5.150 -4.360 1.00 0.00 N ATOM 128 NH2 ARG A 8 -14.031 4.249 -2.882 1.00 0.00 N ATOM 0 H ARG A 8 -9.721 2.443 1.285 1.00 0.00 H new ATOM 0 HA ARG A 8 -7.799 3.177 -0.636 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -10.348 3.106 -0.830 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -10.380 4.626 0.040 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -8.633 5.346 -1.847 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -9.400 4.043 -2.733 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -10.678 6.551 -1.615 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -10.602 6.029 -3.287 1.00 0.00 H new ATOM 0 HE ARG A 8 -12.285 4.706 -1.185 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -11.612 5.587 -4.540 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -13.164 4.982 -5.130 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -14.290 3.995 -1.929 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -14.681 4.079 -3.649 1.00 0.00 H new ATOM 142 N LEU A 9 -8.317 5.266 1.851 1.00 0.00 N ATOM 143 CA LEU A 9 -7.790 6.431 2.546 1.00 0.00 C ATOM 144 C LEU A 9 -6.325 6.214 2.909 1.00 0.00 C ATOM 145 O LEU A 9 -5.499 7.126 2.799 1.00 0.00 O ATOM 146 CB LEU A 9 -8.609 6.710 3.808 1.00 0.00 C ATOM 147 CG LEU A 9 -10.122 6.790 3.593 1.00 0.00 C ATOM 148 CD1 LEU A 9 -10.831 7.105 4.900 1.00 0.00 C ATOM 149 CD2 LEU A 9 -10.466 7.829 2.538 1.00 0.00 C ATOM 0 H LEU A 9 -9.068 4.785 2.346 1.00 0.00 H new ATOM 0 HA LEU A 9 -7.862 7.293 1.883 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.402 5.927 4.538 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -8.269 7.650 4.243 1.00 0.00 H new ATOM 0 HG LEU A 9 -10.465 5.818 3.238 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -11.906 7.158 4.727 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -10.618 6.321 5.627 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -10.478 8.062 5.284 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -11.547 7.867 2.403 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -10.106 8.806 2.859 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -9.992 7.560 1.594 1.00 0.00 H new ATOM 161 N GLN A 10 -6.008 4.995 3.322 1.00 0.00 N ATOM 162 CA GLN A 10 -4.644 4.636 3.672 1.00 0.00 C ATOM 163 C GLN A 10 -3.768 4.624 2.418 1.00 0.00 C ATOM 164 O GLN A 10 -2.605 5.025 2.458 1.00 0.00 O ATOM 165 CB GLN A 10 -4.628 3.273 4.377 1.00 0.00 C ATOM 166 CG GLN A 10 -3.381 3.018 5.212 1.00 0.00 C ATOM 167 CD GLN A 10 -2.163 2.678 4.379 1.00 0.00 C ATOM 168 OE1 GLN A 10 -2.269 2.061 3.325 1.00 0.00 O ATOM 169 NE2 GLN A 10 -1.000 3.102 4.836 1.00 0.00 N ATOM 0 H GLN A 10 -6.682 4.236 3.423 1.00 0.00 H new ATOM 0 HA GLN A 10 -4.238 5.378 4.359 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -5.504 3.199 5.021 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -4.716 2.487 3.627 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -3.167 3.902 5.812 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -3.578 2.201 5.906 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -0.954 3.612 5.718 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -0.147 2.919 4.307 1.00 0.00 H new ATOM 178 N LEU A 11 -4.340 4.189 1.299 1.00 0.00 N ATOM 179 CA LEU A 11 -3.632 4.210 0.021 1.00 0.00 C ATOM 180 C LEU A 11 -3.208 5.630 -0.337 1.00 0.00 C ATOM 181 O LEU A 11 -2.129 5.846 -0.887 1.00 0.00 O ATOM 182 CB LEU A 11 -4.503 3.642 -1.100 1.00 0.00 C ATOM 183 CG LEU A 11 -4.852 2.159 -0.978 1.00 0.00 C ATOM 184 CD1 LEU A 11 -5.722 1.727 -2.145 1.00 0.00 C ATOM 185 CD2 LEU A 11 -3.586 1.315 -0.912 1.00 0.00 C ATOM 0 H LEU A 11 -5.289 3.818 1.250 1.00 0.00 H new ATOM 0 HA LEU A 11 -2.745 3.586 0.128 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.431 4.213 -1.140 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -3.991 3.799 -2.049 1.00 0.00 H new ATOM 0 HG LEU A 11 -5.410 2.008 -0.054 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -5.964 0.669 -2.046 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -6.643 2.311 -2.148 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.185 1.891 -3.079 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.855 0.262 -0.825 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.000 1.467 -1.819 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.996 1.611 -0.045 1.00 0.00 H new ATOM 197 N GLN A 12 -4.063 6.598 -0.021 1.00 0.00 N ATOM 198 CA GLN A 12 -3.750 7.998 -0.271 1.00 0.00 C ATOM 199 C GLN A 12 -2.615 8.459 0.638 1.00 0.00 C ATOM 200 O GLN A 12 -1.810 9.310 0.259 1.00 0.00 O ATOM 201 CB GLN A 12 -4.982 8.878 -0.075 1.00 0.00 C ATOM 202 CG GLN A 12 -6.127 8.535 -1.012 1.00 0.00 C ATOM 203 CD GLN A 12 -7.274 9.520 -0.918 1.00 0.00 C ATOM 204 OE1 GLN A 12 -7.516 10.119 0.129 1.00 0.00 O ATOM 205 NE2 GLN A 12 -7.986 9.696 -2.018 1.00 0.00 N ATOM 0 H GLN A 12 -4.975 6.438 0.407 1.00 0.00 H new ATOM 0 HA GLN A 12 -3.428 8.094 -1.308 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -5.326 8.784 0.955 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -4.701 9.921 -0.224 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -5.757 8.511 -2.037 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -6.493 7.534 -0.781 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -7.752 9.179 -2.865 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -8.770 10.349 -2.019 1.00 0.00 H new ATOM 214 N ALA A 13 -2.551 7.889 1.836 1.00 0.00 N ATOM 215 CA ALA A 13 -1.440 8.150 2.743 1.00 0.00 C ATOM 216 C ALA A 13 -0.137 7.626 2.141 1.00 0.00 C ATOM 217 O ALA A 13 0.898 8.285 2.207 1.00 0.00 O ATOM 218 CB ALA A 13 -1.695 7.521 4.106 1.00 0.00 C ATOM 0 H ALA A 13 -3.253 7.245 2.201 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.351 9.227 2.882 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.853 7.729 4.766 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -2.605 7.940 4.536 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.810 6.443 3.993 1.00 0.00 H new ATOM 224 N LEU A 14 -0.204 6.445 1.533 1.00 0.00 N ATOM 225 CA LEU A 14 0.943 5.879 0.831 1.00 0.00 C ATOM 226 C LEU A 14 1.310 6.739 -0.374 1.00 0.00 C ATOM 227 O LEU A 14 2.487 6.931 -0.681 1.00 0.00 O ATOM 228 CB LEU A 14 0.643 4.452 0.370 1.00 0.00 C ATOM 229 CG LEU A 14 0.410 3.435 1.487 1.00 0.00 C ATOM 230 CD1 LEU A 14 0.038 2.083 0.900 1.00 0.00 C ATOM 231 CD2 LEU A 14 1.647 3.313 2.365 1.00 0.00 C ATOM 0 H LEU A 14 -1.040 5.862 1.512 1.00 0.00 H new ATOM 0 HA LEU A 14 1.784 5.858 1.523 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.240 4.473 -0.268 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.473 4.106 -0.246 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.416 3.784 2.106 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.125 1.368 1.707 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.874 2.180 0.312 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.846 1.729 0.260 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.462 2.585 3.155 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.492 2.985 1.760 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.874 4.282 2.811 1.00 0.00 H new ATOM 243 N GLU A 15 0.286 7.253 -1.050 1.00 0.00 N ATOM 244 CA GLU A 15 0.472 8.150 -2.182 1.00 0.00 C ATOM 245 C GLU A 15 1.255 9.386 -1.751 1.00 0.00 C ATOM 246 O GLU A 15 2.197 9.808 -2.426 1.00 0.00 O ATOM 247 CB GLU A 15 -0.890 8.555 -2.753 1.00 0.00 C ATOM 248 CG GLU A 15 -0.810 9.444 -3.981 1.00 0.00 C ATOM 249 CD GLU A 15 -2.175 9.904 -4.449 1.00 0.00 C ATOM 250 OE1 GLU A 15 -2.916 9.082 -5.030 1.00 0.00 O ATOM 251 OE2 GLU A 15 -2.517 11.086 -4.234 1.00 0.00 O ATOM 0 H GLU A 15 -0.691 7.059 -0.828 1.00 0.00 H new ATOM 0 HA GLU A 15 1.039 7.633 -2.956 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.448 7.654 -3.007 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.456 9.073 -1.979 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.193 10.314 -3.757 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.316 8.902 -4.787 1.00 0.00 H new ATOM 258 N ALA A 16 0.863 9.954 -0.616 1.00 0.00 N ATOM 259 CA ALA A 16 1.547 11.114 -0.061 1.00 0.00 C ATOM 260 C ALA A 16 2.938 10.738 0.440 1.00 0.00 C ATOM 261 O ALA A 16 3.873 11.529 0.352 1.00 0.00 O ATOM 262 CB ALA A 16 0.726 11.727 1.062 1.00 0.00 C ATOM 0 H ALA A 16 0.072 9.628 -0.061 1.00 0.00 H new ATOM 0 HA ALA A 16 1.660 11.853 -0.854 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.251 12.593 1.466 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.244 12.039 0.675 1.00 0.00 H new ATOM 0 HB3 ALA A 16 0.581 10.989 1.851 1.00 0.00 H new ATOM 268 N LEU A 17 3.071 9.523 0.955 1.00 0.00 N ATOM 269 CA LEU A 17 4.356 9.022 1.421 1.00 0.00 C ATOM 270 C LEU A 17 5.354 8.958 0.270 1.00 0.00 C ATOM 271 O LEU A 17 6.487 9.432 0.387 1.00 0.00 O ATOM 272 CB LEU A 17 4.196 7.634 2.036 1.00 0.00 C ATOM 273 CG LEU A 17 5.488 7.015 2.559 1.00 0.00 C ATOM 274 CD1 LEU A 17 5.564 7.125 4.072 1.00 0.00 C ATOM 275 CD2 LEU A 17 5.601 5.570 2.104 1.00 0.00 C ATOM 0 H LEU A 17 2.300 8.864 1.061 1.00 0.00 H new ATOM 0 HA LEU A 17 4.732 9.708 2.180 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.481 7.695 2.856 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.767 6.967 1.288 1.00 0.00 H new ATOM 0 HG LEU A 17 6.332 7.567 2.146 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.494 6.677 4.423 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.535 8.175 4.362 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.718 6.602 4.518 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.528 5.140 2.484 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.754 5.001 2.486 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.603 5.531 1.015 1.00 0.00 H new ATOM 287 N LEU A 18 4.931 8.370 -0.843 1.00 0.00 N ATOM 288 CA LEU A 18 5.773 8.282 -2.031 1.00 0.00 C ATOM 289 C LEU A 18 6.042 9.673 -2.590 1.00 0.00 C ATOM 290 O LEU A 18 7.069 9.916 -3.222 1.00 0.00 O ATOM 291 CB LEU A 18 5.113 7.404 -3.097 1.00 0.00 C ATOM 292 CG LEU A 18 4.896 5.941 -2.694 1.00 0.00 C ATOM 293 CD1 LEU A 18 4.227 5.170 -3.822 1.00 0.00 C ATOM 294 CD2 LEU A 18 6.216 5.286 -2.313 1.00 0.00 C ATOM 0 H LEU A 18 4.009 7.947 -0.948 1.00 0.00 H new ATOM 0 HA LEU A 18 6.721 7.826 -1.747 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.148 7.839 -3.357 1.00 0.00 H new ATOM 0 HB3 LEU A 18 5.727 7.429 -3.997 1.00 0.00 H new ATOM 0 HG LEU A 18 4.239 5.921 -1.824 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.081 4.134 -3.518 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.261 5.621 -4.048 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.859 5.202 -4.709 1.00 0.00 H new ATOM 0 HD21 LEU A 18 6.039 4.248 -2.030 1.00 0.00 H new ATOM 0 HD22 LEU A 18 6.897 5.319 -3.163 1.00 0.00 H new ATOM 0 HD23 LEU A 18 6.658 5.821 -1.472 1.00 0.00 H new ATOM 306 N ARG A 19 5.105 10.574 -2.340 1.00 0.00 N ATOM 307 CA ARG A 19 5.240 11.975 -2.715 1.00 0.00 C ATOM 308 C ARG A 19 6.369 12.628 -1.915 1.00 0.00 C ATOM 309 O ARG A 19 7.272 13.243 -2.483 1.00 0.00 O ATOM 310 CB ARG A 19 3.917 12.690 -2.442 1.00 0.00 C ATOM 311 CG ARG A 19 3.877 14.147 -2.861 1.00 0.00 C ATOM 312 CD ARG A 19 2.664 14.839 -2.259 1.00 0.00 C ATOM 313 NE ARG A 19 2.397 16.143 -2.859 1.00 0.00 N ATOM 314 CZ ARG A 19 2.458 17.298 -2.198 1.00 0.00 C ATOM 315 NH1 ARG A 19 2.922 17.341 -0.954 1.00 0.00 N ATOM 316 NH2 ARG A 19 2.094 18.420 -2.800 1.00 0.00 N ATOM 0 H ARG A 19 4.227 10.355 -1.870 1.00 0.00 H new ATOM 0 HA ARG A 19 5.484 12.049 -3.775 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.120 12.157 -2.960 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.701 12.628 -1.375 1.00 0.00 H new ATOM 0 HG2 ARG A 19 4.788 14.650 -2.538 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.842 14.218 -3.948 1.00 0.00 H new ATOM 0 HD2 ARG A 19 1.789 14.201 -2.384 1.00 0.00 H new ATOM 0 HD3 ARG A 19 2.818 14.963 -1.187 1.00 0.00 H new ATOM 0 HE ARG A 19 2.148 16.171 -3.848 1.00 0.00 H new ATOM 0 HH11 ARG A 19 3.235 16.485 -0.497 1.00 0.00 H new ATOM 0 HH12 ARG A 19 2.965 18.230 -0.456 1.00 0.00 H new ATOM 0 HH21 ARG A 19 1.768 18.398 -3.766 1.00 0.00 H new ATOM 0 HH22 ARG A 19 2.139 19.306 -2.297 1.00 0.00 H new ATOM 330 N GLU A 20 6.314 12.476 -0.593 1.00 0.00 N ATOM 331 CA GLU A 20 7.336 13.027 0.295 1.00 0.00 C ATOM 332 C GLU A 20 8.687 12.388 0.027 1.00 0.00 C ATOM 333 O GLU A 20 9.701 13.075 -0.088 1.00 0.00 O ATOM 334 CB GLU A 20 6.981 12.782 1.759 1.00 0.00 C ATOM 335 CG GLU A 20 5.629 13.322 2.179 1.00 0.00 C ATOM 336 CD GLU A 20 5.374 13.101 3.651 1.00 0.00 C ATOM 337 OE1 GLU A 20 5.424 11.936 4.099 1.00 0.00 O ATOM 338 OE2 GLU A 20 5.131 14.091 4.370 1.00 0.00 O ATOM 0 H GLU A 20 5.569 11.973 -0.111 1.00 0.00 H new ATOM 0 HA GLU A 20 7.383 14.098 0.099 1.00 0.00 H new ATOM 0 HB2 GLU A 20 7.004 11.709 1.950 1.00 0.00 H new ATOM 0 HB3 GLU A 20 7.749 13.235 2.386 1.00 0.00 H new ATOM 0 HG2 GLU A 20 5.577 14.388 1.956 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.846 12.836 1.597 1.00 0.00 H new ATOM 345 N HIS A 21 8.692 11.064 -0.070 1.00 0.00 N ATOM 346 CA HIS A 21 9.932 10.313 -0.211 1.00 0.00 C ATOM 347 C HIS A 21 10.357 10.212 -1.674 1.00 0.00 C ATOM 348 O HIS A 21 11.224 9.409 -2.020 1.00 0.00 O ATOM 349 CB HIS A 21 9.788 8.924 0.423 1.00 0.00 C ATOM 350 CG HIS A 21 9.654 8.969 1.919 1.00 0.00 C ATOM 351 ND1 HIS A 21 10.686 8.673 2.781 1.00 0.00 N ATOM 352 CD2 HIS A 21 8.599 9.294 2.708 1.00 0.00 C ATOM 353 CE1 HIS A 21 10.275 8.816 4.026 1.00 0.00 C ATOM 354 NE2 HIS A 21 9.010 9.194 4.013 1.00 0.00 N ATOM 0 H HIS A 21 7.850 10.488 -0.054 1.00 0.00 H new ATOM 0 HA HIS A 21 10.719 10.851 0.318 1.00 0.00 H new ATOM 0 HB2 HIS A 21 8.914 8.428 0.001 1.00 0.00 H new ATOM 0 HB3 HIS A 21 10.656 8.320 0.160 1.00 0.00 H new ATOM 0 HD2 HIS A 21 7.614 9.580 2.370 1.00 0.00 H new ATOM 0 HE1 HIS A 21 10.874 8.651 4.910 1.00 0.00 H new ATOM 0 HE2 HIS A 21 8.435 9.380 4.835 1.00 0.00 H new ATOM 363 N GLN A 22 9.722 11.031 -2.517 1.00 0.00 N ATOM 364 CA GLN A 22 10.128 11.233 -3.913 1.00 0.00 C ATOM 365 C GLN A 22 10.307 9.926 -4.683 1.00 0.00 C ATOM 366 O GLN A 22 11.168 9.819 -5.553 1.00 0.00 O ATOM 367 CB GLN A 22 11.414 12.055 -3.957 1.00 0.00 C ATOM 368 CG GLN A 22 11.246 13.437 -3.355 1.00 0.00 C ATOM 369 CD GLN A 22 12.533 14.233 -3.323 1.00 0.00 C ATOM 370 OE1 GLN A 22 13.626 13.677 -3.207 1.00 0.00 O ATOM 371 NE2 GLN A 22 12.406 15.546 -3.421 1.00 0.00 N ATOM 0 H GLN A 22 8.904 11.578 -2.248 1.00 0.00 H new ATOM 0 HA GLN A 22 9.320 11.771 -4.408 1.00 0.00 H new ATOM 0 HB2 GLN A 22 12.199 11.522 -3.421 1.00 0.00 H new ATOM 0 HB3 GLN A 22 11.744 12.151 -4.991 1.00 0.00 H new ATOM 0 HG2 GLN A 22 10.500 13.988 -3.928 1.00 0.00 H new ATOM 0 HG3 GLN A 22 10.861 13.340 -2.340 1.00 0.00 H new ATOM 0 HE21 GLN A 22 11.480 15.963 -3.516 1.00 0.00 H new ATOM 0 HE22 GLN A 22 13.234 16.141 -3.402 1.00 0.00 H new ATOM 380 N HIS A 23 9.468 8.948 -4.392 1.00 0.00 N ATOM 381 CA HIS A 23 9.532 7.674 -5.091 1.00 0.00 C ATOM 382 C HIS A 23 8.383 7.539 -6.074 1.00 0.00 C ATOM 383 O HIS A 23 8.145 6.465 -6.624 1.00 0.00 O ATOM 384 CB HIS A 23 9.540 6.504 -4.109 1.00 0.00 C ATOM 385 CG HIS A 23 10.920 6.081 -3.716 1.00 0.00 C ATOM 386 ND1 HIS A 23 11.793 5.485 -4.599 1.00 0.00 N ATOM 387 CD2 HIS A 23 11.582 6.171 -2.538 1.00 0.00 C ATOM 388 CE1 HIS A 23 12.929 5.223 -3.984 1.00 0.00 C ATOM 389 NE2 HIS A 23 12.828 5.630 -2.734 1.00 0.00 N ATOM 0 H HIS A 23 8.739 9.009 -3.682 1.00 0.00 H new ATOM 0 HA HIS A 23 10.467 7.649 -5.650 1.00 0.00 H new ATOM 0 HB2 HIS A 23 8.983 6.783 -3.215 1.00 0.00 H new ATOM 0 HB3 HIS A 23 9.020 5.657 -4.557 1.00 0.00 H new ATOM 0 HD2 HIS A 23 11.201 6.589 -1.618 1.00 0.00 H new ATOM 0 HE1 HIS A 23 13.795 4.755 -4.428 1.00 0.00 H new ATOM 0 HE2 HIS A 23 13.559 5.555 -2.026 1.00 0.00 H new ATOM 398 N TRP A 24 7.688 8.640 -6.302 1.00 0.00 N ATOM 399 CA TRP A 24 6.602 8.667 -7.260 1.00 0.00 C ATOM 400 C TRP A 24 7.110 9.211 -8.590 1.00 0.00 C ATOM 401 O TRP A 24 7.310 10.417 -8.743 1.00 0.00 O ATOM 402 CB TRP A 24 5.448 9.530 -6.735 1.00 0.00 C ATOM 403 CG TRP A 24 4.176 9.373 -7.509 1.00 0.00 C ATOM 404 CD1 TRP A 24 3.799 10.065 -8.623 1.00 0.00 C ATOM 405 CD2 TRP A 24 3.106 8.473 -7.217 1.00 0.00 C ATOM 406 NE1 TRP A 24 2.563 9.641 -9.045 1.00 0.00 N ATOM 407 CE2 TRP A 24 2.118 8.662 -8.199 1.00 0.00 C ATOM 408 CE3 TRP A 24 2.892 7.516 -6.223 1.00 0.00 C ATOM 409 CZ2 TRP A 24 0.930 7.934 -8.210 1.00 0.00 C ATOM 410 CZ3 TRP A 24 1.714 6.796 -6.235 1.00 0.00 C ATOM 411 CH2 TRP A 24 0.747 7.005 -7.225 1.00 0.00 C ATOM 0 H TRP A 24 7.859 9.530 -5.833 1.00 0.00 H new ATOM 0 HA TRP A 24 6.230 7.653 -7.408 1.00 0.00 H new ATOM 0 HB2 TRP A 24 5.261 9.275 -5.692 1.00 0.00 H new ATOM 0 HB3 TRP A 24 5.750 10.577 -6.758 1.00 0.00 H new ATOM 0 HD1 TRP A 24 4.387 10.834 -9.103 1.00 0.00 H new ATOM 0 HE1 TRP A 24 2.059 9.998 -9.857 1.00 0.00 H new ATOM 0 HE3 TRP A 24 3.635 7.342 -5.458 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 0.181 8.098 -8.970 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 1.536 6.058 -5.467 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -0.161 6.421 -7.210 1.00 0.00 H new ATOM 422 N ARG A 25 7.360 8.312 -9.533 1.00 0.00 N ATOM 423 CA ARG A 25 7.814 8.702 -10.864 1.00 0.00 C ATOM 424 C ARG A 25 6.711 9.427 -11.621 1.00 0.00 C ATOM 425 O ARG A 25 5.542 9.380 -11.241 1.00 0.00 O ATOM 426 CB ARG A 25 8.210 7.483 -11.699 1.00 0.00 C ATOM 427 CG ARG A 25 9.422 6.706 -11.216 1.00 0.00 C ATOM 428 CD ARG A 25 9.788 5.651 -12.250 1.00 0.00 C ATOM 429 NE ARG A 25 10.883 4.784 -11.838 1.00 0.00 N ATOM 430 CZ ARG A 25 11.666 4.131 -12.696 1.00 0.00 C ATOM 431 NH1 ARG A 25 11.557 4.353 -14.003 1.00 0.00 N ATOM 432 NH2 ARG A 25 12.567 3.270 -12.249 1.00 0.00 N ATOM 0 H ARG A 25 7.256 7.306 -9.402 1.00 0.00 H new ATOM 0 HA ARG A 25 8.676 9.354 -10.718 1.00 0.00 H new ATOM 0 HB2 ARG A 25 7.359 6.803 -11.737 1.00 0.00 H new ATOM 0 HB3 ARG A 25 8.399 7.814 -12.720 1.00 0.00 H new ATOM 0 HG2 ARG A 25 10.262 7.382 -11.057 1.00 0.00 H new ATOM 0 HG3 ARG A 25 9.207 6.233 -10.258 1.00 0.00 H new ATOM 0 HD2 ARG A 25 8.910 5.039 -12.458 1.00 0.00 H new ATOM 0 HD3 ARG A 25 10.060 6.147 -13.182 1.00 0.00 H new ATOM 0 HE ARG A 25 11.060 4.671 -10.840 1.00 0.00 H new ATOM 0 HH11 ARG A 25 10.873 5.025 -14.351 1.00 0.00 H new ATOM 0 HH12 ARG A 25 12.158 3.852 -14.657 1.00 0.00 H new ATOM 0 HH21 ARG A 25 12.662 3.106 -11.247 1.00 0.00 H new ATOM 0 HH22 ARG A 25 13.166 2.771 -12.907 1.00 0.00 H new ATOM 446 N ASN A 26 7.088 10.076 -12.709 1.00 0.00 N ATOM 447 CA ASN A 26 6.113 10.615 -13.646 1.00 0.00 C ATOM 448 C ASN A 26 6.152 9.789 -14.927 1.00 0.00 C ATOM 449 O ASN A 26 5.504 10.118 -15.921 1.00 0.00 O ATOM 450 CB ASN A 26 6.383 12.098 -13.951 1.00 0.00 C ATOM 451 CG ASN A 26 7.652 12.327 -14.753 1.00 0.00 C ATOM 452 OD1 ASN A 26 8.628 11.590 -14.627 1.00 0.00 O ATOM 453 ND2 ASN A 26 7.642 13.355 -15.587 1.00 0.00 N ATOM 0 H ASN A 26 8.061 10.243 -12.967 1.00 0.00 H new ATOM 0 HA ASN A 26 5.122 10.555 -13.197 1.00 0.00 H new ATOM 0 HB2 ASN A 26 5.536 12.508 -14.500 1.00 0.00 H new ATOM 0 HB3 ASN A 26 6.451 12.648 -13.012 1.00 0.00 H new ATOM 0 HD21 ASN A 26 8.465 13.559 -16.154 1.00 0.00 H new ATOM 0 HD22 ASN A 26 6.812 13.943 -15.662 1.00 0.00 H new ATOM 460 N ASP A 27 6.924 8.704 -14.876 1.00 0.00 N ATOM 461 CA ASP A 27 7.096 7.798 -16.008 1.00 0.00 C ATOM 462 C ASP A 27 5.823 7.019 -16.291 1.00 0.00 C ATOM 463 O ASP A 27 4.882 7.023 -15.494 1.00 0.00 O ATOM 464 CB ASP A 27 8.225 6.798 -15.728 1.00 0.00 C ATOM 465 CG ASP A 27 9.594 7.438 -15.667 1.00 0.00 C ATOM 466 OD1 ASP A 27 9.985 7.904 -14.580 1.00 0.00 O ATOM 467 OD2 ASP A 27 10.292 7.460 -16.705 1.00 0.00 O ATOM 0 H ASP A 27 7.449 8.429 -14.046 1.00 0.00 H new ATOM 0 HA ASP A 27 7.343 8.410 -16.876 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.026 6.292 -14.783 1.00 0.00 H new ATOM 0 HB3 ASP A 27 8.224 6.033 -16.505 1.00 0.00 H new ATOM 472 N GLU A 28 5.808 6.339 -17.425 1.00 0.00 N ATOM 473 CA GLU A 28 4.700 5.475 -17.783 1.00 0.00 C ATOM 474 C GLU A 28 5.093 4.019 -17.560 1.00 0.00 C ATOM 475 O GLU A 28 6.245 3.644 -17.782 1.00 0.00 O ATOM 476 CB GLU A 28 4.289 5.690 -19.242 1.00 0.00 C ATOM 477 CG GLU A 28 5.418 5.459 -20.231 1.00 0.00 C ATOM 478 CD GLU A 28 4.941 5.433 -21.663 1.00 0.00 C ATOM 479 OE1 GLU A 28 4.554 4.348 -22.142 1.00 0.00 O ATOM 480 OE2 GLU A 28 4.954 6.496 -22.316 1.00 0.00 O ATOM 0 H GLU A 28 6.557 6.370 -18.117 1.00 0.00 H new ATOM 0 HA GLU A 28 3.848 5.722 -17.150 1.00 0.00 H new ATOM 0 HB2 GLU A 28 3.464 5.019 -19.481 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.916 6.707 -19.360 1.00 0.00 H new ATOM 0 HG2 GLU A 28 6.164 6.245 -20.115 1.00 0.00 H new ATOM 0 HG3 GLU A 28 5.911 4.515 -19.999 1.00 0.00 H new ATOM 487 N PRO A 29 4.159 3.188 -17.089 1.00 0.00 N ATOM 488 CA PRO A 29 4.396 1.762 -16.925 1.00 0.00 C ATOM 489 C PRO A 29 4.144 0.995 -18.220 1.00 0.00 C ATOM 490 O PRO A 29 3.272 1.362 -19.012 1.00 0.00 O ATOM 491 CB PRO A 29 3.381 1.375 -15.853 1.00 0.00 C ATOM 492 CG PRO A 29 2.236 2.312 -16.054 1.00 0.00 C ATOM 493 CD PRO A 29 2.801 3.574 -16.663 1.00 0.00 C ATOM 0 HA PRO A 29 5.426 1.530 -16.656 1.00 0.00 H new ATOM 0 HB2 PRO A 29 3.066 0.337 -15.963 1.00 0.00 H new ATOM 0 HB3 PRO A 29 3.804 1.476 -14.853 1.00 0.00 H new ATOM 0 HG2 PRO A 29 1.486 1.870 -16.710 1.00 0.00 H new ATOM 0 HG3 PRO A 29 1.743 2.528 -15.106 1.00 0.00 H new ATOM 0 HD2 PRO A 29 2.200 3.914 -17.506 1.00 0.00 H new ATOM 0 HD3 PRO A 29 2.826 4.389 -15.940 1.00 0.00 H new ATOM 501 N GLN A 30 4.917 -0.053 -18.446 1.00 0.00 N ATOM 502 CA GLN A 30 4.752 -0.875 -19.633 1.00 0.00 C ATOM 503 C GLN A 30 4.221 -2.250 -19.251 1.00 0.00 C ATOM 504 O GLN A 30 4.560 -2.775 -18.194 1.00 0.00 O ATOM 505 CB GLN A 30 6.075 -1.014 -20.400 1.00 0.00 C ATOM 506 CG GLN A 30 6.513 0.254 -21.121 1.00 0.00 C ATOM 507 CD GLN A 30 7.086 1.305 -20.187 1.00 0.00 C ATOM 508 OE1 GLN A 30 7.705 0.981 -19.175 1.00 0.00 O ATOM 509 NE2 GLN A 30 6.885 2.568 -20.521 1.00 0.00 N ATOM 0 H GLN A 30 5.666 -0.355 -17.823 1.00 0.00 H new ATOM 0 HA GLN A 30 4.032 -0.383 -20.286 1.00 0.00 H new ATOM 0 HB2 GLN A 30 6.858 -1.311 -19.702 1.00 0.00 H new ATOM 0 HB3 GLN A 30 5.977 -1.818 -21.129 1.00 0.00 H new ATOM 0 HG2 GLN A 30 7.261 -0.002 -21.872 1.00 0.00 H new ATOM 0 HG3 GLN A 30 5.660 0.676 -21.652 1.00 0.00 H new ATOM 0 HE21 GLN A 30 6.366 2.795 -21.369 1.00 0.00 H new ATOM 0 HE22 GLN A 30 7.249 3.316 -19.930 1.00 0.00 H new ATOM 518 N PRO A 31 3.371 -2.843 -20.105 1.00 0.00 N ATOM 519 CA PRO A 31 2.784 -4.170 -19.873 1.00 0.00 C ATOM 520 C PRO A 31 3.818 -5.240 -19.528 1.00 0.00 C ATOM 521 O PRO A 31 3.536 -6.147 -18.747 1.00 0.00 O ATOM 522 CB PRO A 31 2.113 -4.496 -21.205 1.00 0.00 C ATOM 523 CG PRO A 31 1.781 -3.168 -21.783 1.00 0.00 C ATOM 524 CD PRO A 31 2.889 -2.247 -21.361 1.00 0.00 C ATOM 0 HA PRO A 31 2.107 -4.158 -19.018 1.00 0.00 H new ATOM 0 HB2 PRO A 31 2.779 -5.059 -21.859 1.00 0.00 H new ATOM 0 HB3 PRO A 31 1.219 -5.103 -21.062 1.00 0.00 H new ATOM 0 HG2 PRO A 31 1.710 -3.222 -22.869 1.00 0.00 H new ATOM 0 HG3 PRO A 31 0.817 -2.813 -21.418 1.00 0.00 H new ATOM 0 HD2 PRO A 31 3.678 -2.198 -22.111 1.00 0.00 H new ATOM 0 HD3 PRO A 31 2.529 -1.229 -21.210 1.00 0.00 H new ATOM 532 N HIS A 32 5.014 -5.131 -20.103 1.00 0.00 N ATOM 533 CA HIS A 32 6.084 -6.085 -19.822 1.00 0.00 C ATOM 534 C HIS A 32 6.501 -6.014 -18.354 1.00 0.00 C ATOM 535 O HIS A 32 6.907 -7.016 -17.767 1.00 0.00 O ATOM 536 CB HIS A 32 7.288 -5.836 -20.736 1.00 0.00 C ATOM 537 CG HIS A 32 8.388 -6.842 -20.579 1.00 0.00 C ATOM 538 ND1 HIS A 32 8.428 -8.029 -21.274 1.00 0.00 N ATOM 539 CD2 HIS A 32 9.491 -6.832 -19.795 1.00 0.00 C ATOM 540 CE1 HIS A 32 9.504 -8.706 -20.923 1.00 0.00 C ATOM 541 NE2 HIS A 32 10.167 -8.003 -20.029 1.00 0.00 N ATOM 0 H HIS A 32 5.266 -4.395 -20.763 1.00 0.00 H new ATOM 0 HA HIS A 32 5.705 -7.087 -20.022 1.00 0.00 H new ATOM 0 HB2 HIS A 32 6.951 -5.839 -21.773 1.00 0.00 H new ATOM 0 HB3 HIS A 32 7.686 -4.842 -20.533 1.00 0.00 H new ATOM 0 HD2 HIS A 32 9.785 -6.048 -19.112 1.00 0.00 H new ATOM 0 HE1 HIS A 32 9.793 -9.674 -21.305 1.00 0.00 H new ATOM 0 HE2 HIS A 32 11.041 -8.283 -19.583 1.00 0.00 H new ATOM 550 N GLN A 33 6.377 -4.835 -17.762 1.00 0.00 N ATOM 551 CA GLN A 33 6.686 -4.654 -16.348 1.00 0.00 C ATOM 552 C GLN A 33 5.652 -5.374 -15.492 1.00 0.00 C ATOM 553 O GLN A 33 5.905 -5.712 -14.341 1.00 0.00 O ATOM 554 CB GLN A 33 6.719 -3.166 -15.991 1.00 0.00 C ATOM 555 CG GLN A 33 7.794 -2.386 -16.727 1.00 0.00 C ATOM 556 CD GLN A 33 7.740 -0.898 -16.436 1.00 0.00 C ATOM 557 OE1 GLN A 33 6.673 -0.338 -16.188 1.00 0.00 O ATOM 558 NE2 GLN A 33 8.891 -0.249 -16.467 1.00 0.00 N ATOM 0 H GLN A 33 6.065 -3.988 -18.237 1.00 0.00 H new ATOM 0 HA GLN A 33 7.670 -5.079 -16.151 1.00 0.00 H new ATOM 0 HB2 GLN A 33 5.747 -2.726 -16.213 1.00 0.00 H new ATOM 0 HB3 GLN A 33 6.878 -3.062 -14.918 1.00 0.00 H new ATOM 0 HG2 GLN A 33 8.774 -2.772 -16.446 1.00 0.00 H new ATOM 0 HG3 GLN A 33 7.684 -2.547 -17.799 1.00 0.00 H new ATOM 0 HE21 GLN A 33 9.754 -0.751 -16.677 1.00 0.00 H new ATOM 0 HE22 GLN A 33 8.916 0.754 -16.281 1.00 0.00 H new ATOM 567 N PHE A 34 4.491 -5.624 -16.078 1.00 0.00 N ATOM 568 CA PHE A 34 3.418 -6.313 -15.385 1.00 0.00 C ATOM 569 C PHE A 34 3.406 -7.795 -15.744 1.00 0.00 C ATOM 570 O PHE A 34 2.511 -8.534 -15.333 1.00 0.00 O ATOM 571 CB PHE A 34 2.065 -5.687 -15.731 1.00 0.00 C ATOM 572 CG PHE A 34 1.931 -4.255 -15.295 1.00 0.00 C ATOM 573 CD1 PHE A 34 1.613 -3.943 -13.981 1.00 0.00 C ATOM 574 CD2 PHE A 34 2.123 -3.222 -16.195 1.00 0.00 C ATOM 575 CE1 PHE A 34 1.491 -2.628 -13.576 1.00 0.00 C ATOM 576 CE2 PHE A 34 2.002 -1.904 -15.796 1.00 0.00 C ATOM 577 CZ PHE A 34 1.686 -1.607 -14.485 1.00 0.00 C ATOM 0 H PHE A 34 4.269 -5.357 -17.037 1.00 0.00 H new ATOM 0 HA PHE A 34 3.592 -6.213 -14.314 1.00 0.00 H new ATOM 0 HB2 PHE A 34 1.913 -5.745 -16.809 1.00 0.00 H new ATOM 0 HB3 PHE A 34 1.274 -6.274 -15.266 1.00 0.00 H new ATOM 0 HD1 PHE A 34 1.459 -4.738 -13.266 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.370 -3.448 -17.222 1.00 0.00 H new ATOM 0 HE1 PHE A 34 1.243 -2.399 -12.550 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.154 -1.107 -16.509 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.592 -0.578 -14.171 1.00 0.00 H new ATOM 587 N ASN A 35 4.401 -8.226 -16.514 1.00 0.00 N ATOM 588 CA ASN A 35 4.495 -9.627 -16.921 1.00 0.00 C ATOM 589 C ASN A 35 5.140 -10.465 -15.828 1.00 0.00 C ATOM 590 O ASN A 35 4.999 -11.689 -15.807 1.00 0.00 O ATOM 591 CB ASN A 35 5.282 -9.785 -18.225 1.00 0.00 C ATOM 592 CG ASN A 35 4.510 -9.322 -19.448 1.00 0.00 C ATOM 593 OD1 ASN A 35 5.098 -8.867 -20.430 1.00 0.00 O ATOM 594 ND2 ASN A 35 3.191 -9.441 -19.409 1.00 0.00 N ATOM 0 H ASN A 35 5.150 -7.631 -16.868 1.00 0.00 H new ATOM 0 HA ASN A 35 3.478 -9.981 -17.090 1.00 0.00 H new ATOM 0 HB2 ASN A 35 6.210 -9.218 -18.153 1.00 0.00 H new ATOM 0 HB3 ASN A 35 5.557 -10.832 -18.352 1.00 0.00 H new ATOM 0 HD21 ASN A 35 2.629 -9.151 -20.209 1.00 0.00 H new ATOM 0 HD22 ASN A 35 2.738 -9.822 -18.579 1.00 0.00 H new ATOM 601 N SER A 36 5.847 -9.805 -14.923 1.00 0.00 N ATOM 602 CA SER A 36 6.446 -10.486 -13.791 1.00 0.00 C ATOM 603 C SER A 36 5.374 -10.807 -12.755 1.00 0.00 C ATOM 604 O SER A 36 5.075 -9.996 -11.885 1.00 0.00 O ATOM 605 CB SER A 36 7.542 -9.617 -13.170 1.00 0.00 C ATOM 606 OG SER A 36 8.492 -9.224 -14.148 1.00 0.00 O ATOM 0 H SER A 36 6.018 -8.800 -14.952 1.00 0.00 H new ATOM 0 HA SER A 36 6.896 -11.417 -14.134 1.00 0.00 H new ATOM 0 HB2 SER A 36 7.096 -8.733 -12.715 1.00 0.00 H new ATOM 0 HB3 SER A 36 8.041 -10.169 -12.373 1.00 0.00 H new ATOM 0 HG SER A 36 8.791 -10.012 -14.649 1.00 0.00 H new ATOM 612 N THR A 37 4.782 -11.989 -12.869 1.00 0.00 N ATOM 613 CA THR A 37 3.719 -12.394 -11.963 1.00 0.00 C ATOM 614 C THR A 37 4.285 -12.734 -10.586 1.00 0.00 C ATOM 615 O THR A 37 3.536 -12.929 -9.627 1.00 0.00 O ATOM 616 CB THR A 37 2.917 -13.591 -12.529 1.00 0.00 C ATOM 617 OG1 THR A 37 1.800 -13.888 -11.678 1.00 0.00 O ATOM 618 CG2 THR A 37 3.793 -14.827 -12.670 1.00 0.00 C ATOM 0 H THR A 37 5.020 -12.682 -13.579 1.00 0.00 H new ATOM 0 HA THR A 37 3.034 -11.552 -11.861 1.00 0.00 H new ATOM 0 HB THR A 37 2.556 -13.310 -13.518 1.00 0.00 H new ATOM 0 HG1 THR A 37 1.984 -13.565 -10.771 1.00 0.00 H new ATOM 0 HG21 THR A 37 3.200 -15.650 -13.070 1.00 0.00 H new ATOM 0 HG22 THR A 37 4.619 -14.612 -13.348 1.00 0.00 H new ATOM 0 HG23 THR A 37 4.188 -15.106 -11.693 1.00 0.00 H new ATOM 626 N GLN A 38 5.612 -12.804 -10.505 1.00 0.00 N ATOM 627 CA GLN A 38 6.304 -13.007 -9.240 1.00 0.00 C ATOM 628 C GLN A 38 5.979 -11.855 -8.292 1.00 0.00 C ATOM 629 O GLN A 38 5.890 -10.705 -8.727 1.00 0.00 O ATOM 630 CB GLN A 38 7.816 -13.076 -9.483 1.00 0.00 C ATOM 631 CG GLN A 38 8.609 -13.618 -8.306 1.00 0.00 C ATOM 632 CD GLN A 38 10.102 -13.632 -8.567 1.00 0.00 C ATOM 633 OE1 GLN A 38 10.643 -14.595 -9.113 1.00 0.00 O ATOM 634 NE2 GLN A 38 10.783 -12.574 -8.161 1.00 0.00 N ATOM 0 H GLN A 38 6.232 -12.722 -11.311 1.00 0.00 H new ATOM 0 HA GLN A 38 5.975 -13.944 -8.791 1.00 0.00 H new ATOM 0 HB2 GLN A 38 8.005 -13.703 -10.354 1.00 0.00 H new ATOM 0 HB3 GLN A 38 8.180 -12.077 -9.724 1.00 0.00 H new ATOM 0 HG2 GLN A 38 8.404 -13.011 -7.424 1.00 0.00 H new ATOM 0 HG3 GLN A 38 8.273 -14.631 -8.082 1.00 0.00 H new ATOM 0 HE21 GLN A 38 10.298 -11.797 -7.713 1.00 0.00 H new ATOM 0 HE22 GLN A 38 11.793 -12.535 -8.296 1.00 0.00 H new ATOM 643 N PRO A 39 5.778 -12.148 -6.996 1.00 0.00 N ATOM 644 CA PRO A 39 5.454 -11.130 -5.994 1.00 0.00 C ATOM 645 C PRO A 39 6.363 -9.908 -6.085 1.00 0.00 C ATOM 646 O PRO A 39 7.573 -10.041 -6.280 1.00 0.00 O ATOM 647 CB PRO A 39 5.673 -11.859 -4.671 1.00 0.00 C ATOM 648 CG PRO A 39 5.401 -13.288 -4.982 1.00 0.00 C ATOM 649 CD PRO A 39 5.842 -13.499 -6.406 1.00 0.00 C ATOM 0 HA PRO A 39 4.445 -10.739 -6.123 1.00 0.00 H new ATOM 0 HB2 PRO A 39 6.690 -11.719 -4.305 1.00 0.00 H new ATOM 0 HB3 PRO A 39 5.002 -11.487 -3.897 1.00 0.00 H new ATOM 0 HG2 PRO A 39 5.946 -13.945 -4.304 1.00 0.00 H new ATOM 0 HG3 PRO A 39 4.342 -13.517 -4.864 1.00 0.00 H new ATOM 0 HD2 PRO A 39 6.850 -13.910 -6.456 1.00 0.00 H new ATOM 0 HD3 PRO A 39 5.187 -14.196 -6.929 1.00 0.00 H new ATOM 657 N PHE A 40 5.757 -8.724 -5.978 1.00 0.00 N ATOM 658 CA PHE A 40 6.478 -7.445 -5.993 1.00 0.00 C ATOM 659 C PHE A 40 7.030 -7.108 -7.381 1.00 0.00 C ATOM 660 O PHE A 40 7.631 -6.049 -7.561 1.00 0.00 O ATOM 661 CB PHE A 40 7.618 -7.433 -4.963 1.00 0.00 C ATOM 662 CG PHE A 40 7.165 -7.648 -3.546 1.00 0.00 C ATOM 663 CD1 PHE A 40 6.707 -6.589 -2.781 1.00 0.00 C ATOM 664 CD2 PHE A 40 7.203 -8.912 -2.978 1.00 0.00 C ATOM 665 CE1 PHE A 40 6.295 -6.787 -1.478 1.00 0.00 C ATOM 666 CE2 PHE A 40 6.792 -9.116 -1.676 1.00 0.00 C ATOM 667 CZ PHE A 40 6.339 -8.052 -0.925 1.00 0.00 C ATOM 0 H PHE A 40 4.747 -8.622 -5.878 1.00 0.00 H new ATOM 0 HA PHE A 40 5.750 -6.679 -5.724 1.00 0.00 H new ATOM 0 HB2 PHE A 40 8.338 -8.208 -5.225 1.00 0.00 H new ATOM 0 HB3 PHE A 40 8.140 -6.478 -5.026 1.00 0.00 H new ATOM 0 HD1 PHE A 40 6.672 -5.598 -3.208 1.00 0.00 H new ATOM 0 HD2 PHE A 40 7.559 -9.748 -3.562 1.00 0.00 H new ATOM 0 HE1 PHE A 40 5.939 -5.953 -0.892 1.00 0.00 H new ATOM 0 HE2 PHE A 40 6.825 -10.106 -1.247 1.00 0.00 H new ATOM 0 HZ PHE A 40 6.019 -8.208 0.095 1.00 0.00 H new ATOM 677 N PHE A 41 6.825 -8.008 -8.352 1.00 0.00 N ATOM 678 CA PHE A 41 7.281 -7.793 -9.730 1.00 0.00 C ATOM 679 C PHE A 41 8.784 -7.524 -9.753 1.00 0.00 C ATOM 680 O PHE A 41 9.285 -6.758 -10.576 1.00 0.00 O ATOM 681 CB PHE A 41 6.506 -6.634 -10.375 1.00 0.00 C ATOM 682 CG PHE A 41 5.046 -6.936 -10.612 1.00 0.00 C ATOM 683 CD1 PHE A 41 4.189 -7.187 -9.552 1.00 0.00 C ATOM 684 CD2 PHE A 41 4.536 -6.978 -11.898 1.00 0.00 C ATOM 685 CE1 PHE A 41 2.854 -7.471 -9.769 1.00 0.00 C ATOM 686 CE2 PHE A 41 3.202 -7.262 -12.121 1.00 0.00 C ATOM 687 CZ PHE A 41 2.361 -7.510 -11.056 1.00 0.00 C ATOM 0 H PHE A 41 6.344 -8.896 -8.206 1.00 0.00 H new ATOM 0 HA PHE A 41 7.087 -8.695 -10.310 1.00 0.00 H new ATOM 0 HB2 PHE A 41 6.587 -5.755 -9.736 1.00 0.00 H new ATOM 0 HB3 PHE A 41 6.974 -6.381 -11.326 1.00 0.00 H new ATOM 0 HD1 PHE A 41 4.570 -7.160 -8.542 1.00 0.00 H new ATOM 0 HD2 PHE A 41 5.188 -6.787 -12.737 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.198 -7.662 -8.932 1.00 0.00 H new ATOM 0 HE2 PHE A 41 2.818 -7.290 -13.130 1.00 0.00 H new ATOM 0 HZ PHE A 41 1.319 -7.734 -11.230 1.00 0.00 H new ATOM 697 N MET A 42 9.490 -8.222 -8.860 1.00 0.00 N ATOM 698 CA MET A 42 10.920 -8.006 -8.607 1.00 0.00 C ATOM 699 C MET A 42 11.753 -8.030 -9.888 1.00 0.00 C ATOM 700 O MET A 42 12.759 -7.333 -9.993 1.00 0.00 O ATOM 701 CB MET A 42 11.453 -9.093 -7.666 1.00 0.00 C ATOM 702 CG MET A 42 10.639 -9.277 -6.396 1.00 0.00 C ATOM 703 SD MET A 42 11.131 -10.749 -5.474 1.00 0.00 S ATOM 704 CE MET A 42 9.850 -10.821 -4.222 1.00 0.00 C ATOM 0 H MET A 42 9.083 -8.960 -8.286 1.00 0.00 H new ATOM 0 HA MET A 42 11.012 -7.018 -8.157 1.00 0.00 H new ATOM 0 HB2 MET A 42 11.483 -10.040 -8.205 1.00 0.00 H new ATOM 0 HB3 MET A 42 12.480 -8.849 -7.393 1.00 0.00 H new ATOM 0 HG2 MET A 42 10.755 -8.398 -5.762 1.00 0.00 H new ATOM 0 HG3 MET A 42 9.582 -9.348 -6.652 1.00 0.00 H new ATOM 0 HE1 MET A 42 10.185 -11.446 -3.394 1.00 0.00 H new ATOM 0 HE2 MET A 42 9.642 -9.816 -3.856 1.00 0.00 H new ATOM 0 HE3 MET A 42 8.943 -11.245 -4.653 1.00 0.00 H new ATOM 714 N ASP A 43 11.336 -8.839 -10.852 1.00 0.00 N ATOM 715 CA ASP A 43 12.121 -9.060 -12.061 1.00 0.00 C ATOM 716 C ASP A 43 12.218 -7.804 -12.922 1.00 0.00 C ATOM 717 O ASP A 43 13.318 -7.356 -13.250 1.00 0.00 O ATOM 718 CB ASP A 43 11.530 -10.209 -12.883 1.00 0.00 C ATOM 719 CG ASP A 43 11.534 -11.523 -12.130 1.00 0.00 C ATOM 720 OD1 ASP A 43 12.598 -12.173 -12.058 1.00 0.00 O ATOM 721 OD2 ASP A 43 10.471 -11.910 -11.604 1.00 0.00 O ATOM 0 H ASP A 43 10.457 -9.355 -10.821 1.00 0.00 H new ATOM 0 HA ASP A 43 13.130 -9.323 -11.742 1.00 0.00 H new ATOM 0 HB2 ASP A 43 10.508 -9.960 -13.167 1.00 0.00 H new ATOM 0 HB3 ASP A 43 12.099 -10.321 -13.806 1.00 0.00 H new ATOM 726 N THR A 44 11.077 -7.232 -13.282 1.00 0.00 N ATOM 727 CA THR A 44 11.053 -6.109 -14.214 1.00 0.00 C ATOM 728 C THR A 44 10.883 -4.764 -13.508 1.00 0.00 C ATOM 729 O THR A 44 11.256 -3.720 -14.049 1.00 0.00 O ATOM 730 CB THR A 44 9.934 -6.285 -15.256 1.00 0.00 C ATOM 731 OG1 THR A 44 8.698 -6.575 -14.598 1.00 0.00 O ATOM 732 CG2 THR A 44 10.271 -7.401 -16.234 1.00 0.00 C ATOM 0 H THR A 44 10.159 -7.524 -12.946 1.00 0.00 H new ATOM 0 HA THR A 44 12.022 -6.104 -14.713 1.00 0.00 H new ATOM 0 HB THR A 44 9.839 -5.355 -15.816 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.594 -7.546 -14.511 1.00 0.00 H new ATOM 0 HG21 THR A 44 9.464 -7.505 -16.960 1.00 0.00 H new ATOM 0 HG22 THR A 44 11.198 -7.161 -16.754 1.00 0.00 H new ATOM 0 HG23 THR A 44 10.392 -8.338 -15.690 1.00 0.00 H new ATOM 740 N MET A 45 10.326 -4.779 -12.306 1.00 0.00 N ATOM 741 CA MET A 45 10.097 -3.544 -11.568 1.00 0.00 C ATOM 742 C MET A 45 10.910 -3.525 -10.284 1.00 0.00 C ATOM 743 O MET A 45 11.251 -4.573 -9.737 1.00 0.00 O ATOM 744 CB MET A 45 8.612 -3.366 -11.240 1.00 0.00 C ATOM 745 CG MET A 45 7.729 -3.182 -12.462 1.00 0.00 C ATOM 746 SD MET A 45 6.019 -2.797 -12.032 1.00 0.00 S ATOM 747 CE MET A 45 6.228 -1.249 -11.156 1.00 0.00 C ATOM 0 H MET A 45 10.026 -5.626 -11.823 1.00 0.00 H new ATOM 0 HA MET A 45 10.416 -2.718 -12.203 1.00 0.00 H new ATOM 0 HB2 MET A 45 8.266 -4.236 -10.682 1.00 0.00 H new ATOM 0 HB3 MET A 45 8.496 -2.502 -10.586 1.00 0.00 H new ATOM 0 HG2 MET A 45 8.133 -2.381 -13.080 1.00 0.00 H new ATOM 0 HG3 MET A 45 7.753 -4.091 -13.063 1.00 0.00 H new ATOM 0 HE1 MET A 45 5.276 -0.719 -11.122 1.00 0.00 H new ATOM 0 HE2 MET A 45 6.569 -1.449 -10.140 1.00 0.00 H new ATOM 0 HE3 MET A 45 6.967 -0.636 -11.672 1.00 0.00 H new ATOM 757 N GLU A 46 11.242 -2.334 -9.820 1.00 0.00 N ATOM 758 CA GLU A 46 11.915 -2.182 -8.544 1.00 0.00 C ATOM 759 C GLU A 46 10.887 -2.292 -7.424 1.00 0.00 C ATOM 760 O GLU A 46 9.848 -1.636 -7.476 1.00 0.00 O ATOM 761 CB GLU A 46 12.619 -0.827 -8.470 1.00 0.00 C ATOM 762 CG GLU A 46 13.749 -0.779 -7.456 1.00 0.00 C ATOM 763 CD GLU A 46 14.959 -1.570 -7.911 1.00 0.00 C ATOM 764 OE1 GLU A 46 14.989 -2.802 -7.698 1.00 0.00 O ATOM 765 OE2 GLU A 46 15.878 -0.966 -8.495 1.00 0.00 O ATOM 0 H GLU A 46 11.056 -1.458 -10.308 1.00 0.00 H new ATOM 0 HA GLU A 46 12.664 -2.966 -8.437 1.00 0.00 H new ATOM 0 HB2 GLU A 46 13.016 -0.580 -9.455 1.00 0.00 H new ATOM 0 HB3 GLU A 46 11.886 -0.060 -8.220 1.00 0.00 H new ATOM 0 HG2 GLU A 46 14.038 0.258 -7.285 1.00 0.00 H new ATOM 0 HG3 GLU A 46 13.397 -1.173 -6.503 1.00 0.00 H new ATOM 772 N PRO A 47 11.155 -3.124 -6.405 1.00 0.00 N ATOM 773 CA PRO A 47 10.240 -3.326 -5.276 1.00 0.00 C ATOM 774 C PRO A 47 9.775 -2.009 -4.657 1.00 0.00 C ATOM 775 O PRO A 47 8.602 -1.848 -4.331 1.00 0.00 O ATOM 776 CB PRO A 47 11.069 -4.131 -4.265 1.00 0.00 C ATOM 777 CG PRO A 47 12.468 -4.116 -4.784 1.00 0.00 C ATOM 778 CD PRO A 47 12.359 -3.947 -6.270 1.00 0.00 C ATOM 0 HA PRO A 47 9.326 -3.832 -5.589 1.00 0.00 H new ATOM 0 HB2 PRO A 47 11.015 -3.685 -3.272 1.00 0.00 H new ATOM 0 HB3 PRO A 47 10.695 -5.151 -4.177 1.00 0.00 H new ATOM 0 HG2 PRO A 47 13.040 -3.301 -4.340 1.00 0.00 H new ATOM 0 HG3 PRO A 47 12.986 -5.042 -4.534 1.00 0.00 H new ATOM 0 HD2 PRO A 47 13.237 -3.455 -6.688 1.00 0.00 H new ATOM 0 HD3 PRO A 47 12.256 -4.904 -6.781 1.00 0.00 H new ATOM 786 N LEU A 48 10.694 -1.057 -4.532 1.00 0.00 N ATOM 787 CA LEU A 48 10.396 0.227 -3.901 1.00 0.00 C ATOM 788 C LEU A 48 9.491 1.087 -4.783 1.00 0.00 C ATOM 789 O LEU A 48 8.918 2.070 -4.322 1.00 0.00 O ATOM 790 CB LEU A 48 11.691 0.998 -3.588 1.00 0.00 C ATOM 791 CG LEU A 48 12.625 0.368 -2.542 1.00 0.00 C ATOM 792 CD1 LEU A 48 11.850 -0.072 -1.313 1.00 0.00 C ATOM 793 CD2 LEU A 48 13.413 -0.793 -3.130 1.00 0.00 C ATOM 0 H LEU A 48 11.655 -1.150 -4.860 1.00 0.00 H new ATOM 0 HA LEU A 48 9.872 0.013 -2.969 1.00 0.00 H new ATOM 0 HB2 LEU A 48 12.250 1.119 -4.516 1.00 0.00 H new ATOM 0 HB3 LEU A 48 11.420 1.997 -3.247 1.00 0.00 H new ATOM 0 HG LEU A 48 13.339 1.133 -2.236 1.00 0.00 H new ATOM 0 HD11 LEU A 48 12.535 -0.514 -0.590 1.00 0.00 H new ATOM 0 HD12 LEU A 48 11.357 0.791 -0.865 1.00 0.00 H new ATOM 0 HD13 LEU A 48 11.100 -0.809 -1.600 1.00 0.00 H new ATOM 0 HD21 LEU A 48 14.064 -1.216 -2.364 1.00 0.00 H new ATOM 0 HD22 LEU A 48 12.723 -1.559 -3.484 1.00 0.00 H new ATOM 0 HD23 LEU A 48 14.018 -0.437 -3.964 1.00 0.00 H new ATOM 805 N GLU A 49 9.363 0.710 -6.047 1.00 0.00 N ATOM 806 CA GLU A 49 8.565 1.476 -6.994 1.00 0.00 C ATOM 807 C GLU A 49 7.298 0.709 -7.369 1.00 0.00 C ATOM 808 O GLU A 49 6.455 1.201 -8.122 1.00 0.00 O ATOM 809 CB GLU A 49 9.400 1.796 -8.233 1.00 0.00 C ATOM 810 CG GLU A 49 10.751 2.407 -7.888 1.00 0.00 C ATOM 811 CD GLU A 49 11.506 2.922 -9.095 1.00 0.00 C ATOM 812 OE1 GLU A 49 12.151 2.113 -9.794 1.00 0.00 O ATOM 813 OE2 GLU A 49 11.470 4.146 -9.342 1.00 0.00 O ATOM 0 H GLU A 49 9.802 -0.122 -6.441 1.00 0.00 H new ATOM 0 HA GLU A 49 8.261 2.414 -6.529 1.00 0.00 H new ATOM 0 HB2 GLU A 49 9.555 0.883 -8.808 1.00 0.00 H new ATOM 0 HB3 GLU A 49 8.847 2.485 -8.871 1.00 0.00 H new ATOM 0 HG2 GLU A 49 10.601 3.227 -7.186 1.00 0.00 H new ATOM 0 HG3 GLU A 49 11.360 1.659 -7.380 1.00 0.00 H new ATOM 820 N TRP A 50 7.170 -0.493 -6.818 1.00 0.00 N ATOM 821 CA TRP A 50 5.994 -1.331 -7.026 1.00 0.00 C ATOM 822 C TRP A 50 4.761 -0.681 -6.396 1.00 0.00 C ATOM 823 O TRP A 50 3.637 -0.822 -6.889 1.00 0.00 O ATOM 824 CB TRP A 50 6.246 -2.719 -6.420 1.00 0.00 C ATOM 825 CG TRP A 50 5.073 -3.645 -6.502 1.00 0.00 C ATOM 826 CD1 TRP A 50 4.704 -4.408 -7.569 1.00 0.00 C ATOM 827 CD2 TRP A 50 4.118 -3.910 -5.468 1.00 0.00 C ATOM 828 NE1 TRP A 50 3.575 -5.129 -7.263 1.00 0.00 N ATOM 829 CE2 TRP A 50 3.196 -4.841 -5.980 1.00 0.00 C ATOM 830 CE3 TRP A 50 3.954 -3.449 -4.159 1.00 0.00 C ATOM 831 CZ2 TRP A 50 2.127 -5.318 -5.232 1.00 0.00 C ATOM 832 CZ3 TRP A 50 2.891 -3.923 -3.416 1.00 0.00 C ATOM 833 CH2 TRP A 50 1.990 -4.850 -3.954 1.00 0.00 C ATOM 0 H TRP A 50 7.877 -0.914 -6.215 1.00 0.00 H new ATOM 0 HA TRP A 50 5.809 -1.438 -8.095 1.00 0.00 H new ATOM 0 HB2 TRP A 50 7.093 -3.178 -6.930 1.00 0.00 H new ATOM 0 HB3 TRP A 50 6.529 -2.601 -5.374 1.00 0.00 H new ATOM 0 HD1 TRP A 50 5.223 -4.441 -8.516 1.00 0.00 H new ATOM 0 HE1 TRP A 50 3.097 -5.775 -7.891 1.00 0.00 H new ATOM 0 HE3 TRP A 50 4.646 -2.735 -3.736 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 1.430 -6.032 -5.644 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 2.752 -3.573 -2.404 1.00 0.00 H new ATOM 0 HH2 TRP A 50 1.169 -5.203 -3.347 1.00 0.00 H new ATOM 844 N LEU A 51 4.996 0.055 -5.315 1.00 0.00 N ATOM 845 CA LEU A 51 3.937 0.750 -4.591 1.00 0.00 C ATOM 846 C LEU A 51 3.216 1.749 -5.496 1.00 0.00 C ATOM 847 O LEU A 51 2.014 1.978 -5.357 1.00 0.00 O ATOM 848 CB LEU A 51 4.536 1.495 -3.393 1.00 0.00 C ATOM 849 CG LEU A 51 5.293 0.629 -2.385 1.00 0.00 C ATOM 850 CD1 LEU A 51 5.996 1.502 -1.359 1.00 0.00 C ATOM 851 CD2 LEU A 51 4.346 -0.337 -1.695 1.00 0.00 C ATOM 0 H LEU A 51 5.925 0.187 -4.916 1.00 0.00 H new ATOM 0 HA LEU A 51 3.216 0.008 -4.248 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.214 2.262 -3.767 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.731 2.010 -2.869 1.00 0.00 H new ATOM 0 HG LEU A 51 6.044 0.051 -2.924 1.00 0.00 H new ATOM 0 HD11 LEU A 51 6.530 0.871 -0.649 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.704 2.159 -1.864 1.00 0.00 H new ATOM 0 HD13 LEU A 51 5.259 2.103 -0.827 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.902 -0.945 -0.981 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.574 0.224 -1.169 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.881 -0.985 -2.439 1.00 0.00 H new ATOM 863 N GLN A 52 3.965 2.312 -6.439 1.00 0.00 N ATOM 864 CA GLN A 52 3.484 3.414 -7.261 1.00 0.00 C ATOM 865 C GLN A 52 2.437 2.969 -8.281 1.00 0.00 C ATOM 866 O GLN A 52 1.261 3.294 -8.149 1.00 0.00 O ATOM 867 CB GLN A 52 4.661 4.067 -7.985 1.00 0.00 C ATOM 868 CG GLN A 52 4.269 5.273 -8.818 1.00 0.00 C ATOM 869 CD GLN A 52 5.413 5.781 -9.667 1.00 0.00 C ATOM 870 OE1 GLN A 52 6.580 5.642 -9.310 1.00 0.00 O ATOM 871 NE2 GLN A 52 5.087 6.384 -10.793 1.00 0.00 N ATOM 0 H GLN A 52 4.918 2.018 -6.653 1.00 0.00 H new ATOM 0 HA GLN A 52 3.004 4.131 -6.595 1.00 0.00 H new ATOM 0 HB2 GLN A 52 5.406 4.371 -7.249 1.00 0.00 H new ATOM 0 HB3 GLN A 52 5.134 3.328 -8.631 1.00 0.00 H new ATOM 0 HG2 GLN A 52 3.430 5.009 -9.463 1.00 0.00 H new ATOM 0 HG3 GLN A 52 3.926 6.071 -8.159 1.00 0.00 H new ATOM 0 HE21 GLN A 52 4.106 6.480 -11.055 1.00 0.00 H new ATOM 0 HE22 GLN A 52 5.816 6.755 -11.403 1.00 0.00 H new ATOM 880 N TRP A 53 2.866 2.226 -9.295 1.00 0.00 N ATOM 881 CA TRP A 53 1.995 1.918 -10.426 1.00 0.00 C ATOM 882 C TRP A 53 1.218 0.621 -10.248 1.00 0.00 C ATOM 883 O TRP A 53 0.313 0.332 -11.032 1.00 0.00 O ATOM 884 CB TRP A 53 2.792 1.863 -11.731 1.00 0.00 C ATOM 885 CG TRP A 53 2.914 3.195 -12.410 1.00 0.00 C ATOM 886 CD1 TRP A 53 4.063 3.875 -12.697 1.00 0.00 C ATOM 887 CD2 TRP A 53 1.835 4.009 -12.889 1.00 0.00 C ATOM 888 NE1 TRP A 53 3.763 5.058 -13.331 1.00 0.00 N ATOM 889 CE2 TRP A 53 2.404 5.164 -13.457 1.00 0.00 C ATOM 890 CE3 TRP A 53 0.443 3.874 -12.895 1.00 0.00 C ATOM 891 CZ2 TRP A 53 1.633 6.175 -14.023 1.00 0.00 C ATOM 892 CZ3 TRP A 53 -0.322 4.879 -13.457 1.00 0.00 C ATOM 893 CH2 TRP A 53 0.275 6.016 -14.016 1.00 0.00 C ATOM 0 H TRP A 53 3.803 1.828 -9.359 1.00 0.00 H new ATOM 0 HA TRP A 53 1.268 2.729 -10.472 1.00 0.00 H new ATOM 0 HB2 TRP A 53 3.790 1.477 -11.523 1.00 0.00 H new ATOM 0 HB3 TRP A 53 2.313 1.159 -12.411 1.00 0.00 H new ATOM 0 HD1 TRP A 53 5.060 3.534 -12.461 1.00 0.00 H new ATOM 0 HE1 TRP A 53 4.443 5.745 -13.655 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -0.026 3.000 -12.468 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 2.091 7.054 -14.452 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -1.398 4.786 -13.465 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -0.350 6.782 -14.450 1.00 0.00 H new ATOM 904 N VAL A 54 1.549 -0.166 -9.234 1.00 0.00 N ATOM 905 CA VAL A 54 0.834 -1.414 -9.034 1.00 0.00 C ATOM 906 C VAL A 54 -0.043 -1.369 -7.793 1.00 0.00 C ATOM 907 O VAL A 54 -1.264 -1.378 -7.907 1.00 0.00 O ATOM 908 CB VAL A 54 1.766 -2.634 -8.940 1.00 0.00 C ATOM 909 CG1 VAL A 54 0.937 -3.914 -8.909 1.00 0.00 C ATOM 910 CG2 VAL A 54 2.752 -2.654 -10.099 1.00 0.00 C ATOM 0 H VAL A 54 2.286 0.030 -8.556 1.00 0.00 H new ATOM 0 HA VAL A 54 0.209 -1.529 -9.920 1.00 0.00 H new ATOM 0 HB VAL A 54 2.343 -2.566 -8.017 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.601 -4.776 -8.842 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.275 -3.898 -8.043 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.342 -3.984 -9.819 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.400 -3.526 -10.010 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.205 -2.702 -11.041 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.358 -1.748 -10.077 1.00 0.00 H new ATOM 920 N LEU A 55 0.580 -1.309 -6.615 1.00 0.00 N ATOM 921 CA LEU A 55 -0.148 -1.447 -5.350 1.00 0.00 C ATOM 922 C LEU A 55 -1.356 -0.520 -5.265 1.00 0.00 C ATOM 923 O LEU A 55 -2.497 -0.984 -5.246 1.00 0.00 O ATOM 924 CB LEU A 55 0.768 -1.187 -4.153 1.00 0.00 C ATOM 925 CG LEU A 55 0.064 -1.259 -2.793 1.00 0.00 C ATOM 926 CD1 LEU A 55 -0.464 -2.658 -2.532 1.00 0.00 C ATOM 927 CD2 LEU A 55 0.996 -0.827 -1.676 1.00 0.00 C ATOM 0 H LEU A 55 1.584 -1.166 -6.509 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.506 -2.476 -5.321 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.580 -1.914 -4.167 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.220 -0.201 -4.263 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.781 -0.571 -2.817 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.959 -2.685 -1.561 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.177 -2.929 -3.311 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.365 -3.366 -2.536 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.473 -0.887 -0.722 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.866 -1.483 -1.654 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.319 0.200 -1.848 1.00 0.00 H new ATOM 939 N ILE A 56 -1.104 0.782 -5.218 1.00 0.00 N ATOM 940 CA ILE A 56 -2.171 1.756 -5.020 1.00 0.00 C ATOM 941 C ILE A 56 -3.253 1.659 -6.112 1.00 0.00 C ATOM 942 O ILE A 56 -4.426 1.465 -5.787 1.00 0.00 O ATOM 943 CB ILE A 56 -1.618 3.199 -4.911 1.00 0.00 C ATOM 944 CG1 ILE A 56 -0.646 3.295 -3.730 1.00 0.00 C ATOM 945 CG2 ILE A 56 -2.752 4.201 -4.751 1.00 0.00 C ATOM 946 CD1 ILE A 56 0.028 4.643 -3.601 1.00 0.00 C ATOM 0 H ILE A 56 -0.173 1.188 -5.314 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.645 1.510 -4.070 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.084 3.439 -5.830 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.187 3.080 -2.808 1.00 0.00 H new ATOM 0 HG13 ILE A 56 0.119 2.526 -3.838 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.340 5.208 -4.676 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -3.414 4.143 -5.615 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.315 3.971 -3.847 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.700 4.633 -2.743 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.598 4.853 -4.506 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.728 5.416 -3.461 1.00 0.00 H new ATOM 958 N PRO A 57 -2.899 1.753 -7.414 1.00 0.00 N ATOM 959 CA PRO A 57 -3.891 1.682 -8.498 1.00 0.00 C ATOM 960 C PRO A 57 -4.673 0.369 -8.500 1.00 0.00 C ATOM 961 O PRO A 57 -5.896 0.373 -8.654 1.00 0.00 O ATOM 962 CB PRO A 57 -3.056 1.804 -9.776 1.00 0.00 C ATOM 963 CG PRO A 57 -1.785 2.439 -9.343 1.00 0.00 C ATOM 964 CD PRO A 57 -1.537 1.938 -7.951 1.00 0.00 C ATOM 0 HA PRO A 57 -4.646 2.461 -8.393 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -2.877 0.827 -10.225 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -3.566 2.411 -10.525 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -0.965 2.169 -10.009 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -1.864 3.526 -9.360 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.974 1.005 -7.953 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.965 2.654 -7.361 1.00 0.00 H new ATOM 972 N ARG A 58 -3.972 -0.749 -8.315 1.00 0.00 N ATOM 973 CA ARG A 58 -4.612 -2.060 -8.326 1.00 0.00 C ATOM 974 C ARG A 58 -5.611 -2.181 -7.179 1.00 0.00 C ATOM 975 O ARG A 58 -6.725 -2.674 -7.358 1.00 0.00 O ATOM 976 CB ARG A 58 -3.576 -3.182 -8.217 1.00 0.00 C ATOM 977 CG ARG A 58 -4.182 -4.572 -8.317 1.00 0.00 C ATOM 978 CD ARG A 58 -3.159 -5.653 -8.012 1.00 0.00 C ATOM 979 NE ARG A 58 -3.760 -6.986 -8.029 1.00 0.00 N ATOM 980 CZ ARG A 58 -4.247 -7.596 -6.948 1.00 0.00 C ATOM 981 NH1 ARG A 58 -4.206 -6.991 -5.764 1.00 0.00 N ATOM 982 NH2 ARG A 58 -4.783 -8.806 -7.053 1.00 0.00 N ATOM 0 H ARG A 58 -2.965 -0.772 -8.156 1.00 0.00 H new ATOM 0 HA ARG A 58 -5.139 -2.159 -9.275 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -2.834 -3.059 -9.006 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -3.050 -3.090 -7.267 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -5.018 -4.656 -7.623 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -4.584 -4.723 -9.319 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -2.353 -5.608 -8.744 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -2.713 -5.467 -7.035 1.00 0.00 H new ATOM 0 HE ARG A 58 -3.810 -7.478 -8.921 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -3.801 -6.058 -5.682 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -4.579 -7.460 -4.939 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -4.822 -9.269 -7.961 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -5.155 -9.272 -6.226 1.00 0.00 H new ATOM 996 N MET A 59 -5.211 -1.714 -6.001 1.00 0.00 N ATOM 997 CA MET A 59 -6.067 -1.802 -4.824 1.00 0.00 C ATOM 998 C MET A 59 -7.266 -0.870 -4.950 1.00 0.00 C ATOM 999 O MET A 59 -8.318 -1.134 -4.382 1.00 0.00 O ATOM 1000 CB MET A 59 -5.283 -1.501 -3.545 1.00 0.00 C ATOM 1001 CG MET A 59 -4.208 -2.532 -3.231 1.00 0.00 C ATOM 1002 SD MET A 59 -4.844 -4.220 -3.196 1.00 0.00 S ATOM 1003 CE MET A 59 -3.374 -5.128 -2.724 1.00 0.00 C ATOM 0 H MET A 59 -4.306 -1.274 -5.836 1.00 0.00 H new ATOM 0 HA MET A 59 -6.436 -2.826 -4.760 1.00 0.00 H new ATOM 0 HB2 MET A 59 -4.817 -0.520 -3.637 1.00 0.00 H new ATOM 0 HB3 MET A 59 -5.978 -1.447 -2.707 1.00 0.00 H new ATOM 0 HG2 MET A 59 -3.416 -2.463 -3.977 1.00 0.00 H new ATOM 0 HG3 MET A 59 -3.758 -2.298 -2.266 1.00 0.00 H new ATOM 0 HE1 MET A 59 -3.608 -6.191 -2.660 1.00 0.00 H new ATOM 0 HE2 MET A 59 -2.595 -4.972 -3.470 1.00 0.00 H new ATOM 0 HE3 MET A 59 -3.024 -4.775 -1.754 1.00 0.00 H new ATOM 1013 N HIS A 60 -7.115 0.211 -5.708 1.00 0.00 N ATOM 1014 CA HIS A 60 -8.240 1.104 -5.978 1.00 0.00 C ATOM 1015 C HIS A 60 -9.364 0.343 -6.677 1.00 0.00 C ATOM 1016 O HIS A 60 -10.531 0.489 -6.324 1.00 0.00 O ATOM 1017 CB HIS A 60 -7.807 2.308 -6.818 1.00 0.00 C ATOM 1018 CG HIS A 60 -7.379 3.490 -6.003 1.00 0.00 C ATOM 1019 ND1 HIS A 60 -8.233 4.514 -5.666 1.00 0.00 N ATOM 1020 CD2 HIS A 60 -6.183 3.809 -5.455 1.00 0.00 C ATOM 1021 CE1 HIS A 60 -7.583 5.409 -4.948 1.00 0.00 C ATOM 1022 NE2 HIS A 60 -6.334 5.008 -4.803 1.00 0.00 N ATOM 0 H HIS A 60 -6.235 0.490 -6.143 1.00 0.00 H new ATOM 0 HA HIS A 60 -8.608 1.479 -5.023 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -6.984 2.009 -7.468 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -8.633 2.604 -7.465 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -5.276 3.227 -5.519 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -8.003 6.319 -4.546 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -5.604 5.505 -4.293 1.00 0.00 H new ATOM 1031 N ASP A 61 -8.995 -0.483 -7.654 1.00 0.00 N ATOM 1032 CA ASP A 61 -9.955 -1.353 -8.341 1.00 0.00 C ATOM 1033 C ASP A 61 -10.562 -2.354 -7.370 1.00 0.00 C ATOM 1034 O ASP A 61 -11.773 -2.574 -7.372 1.00 0.00 O ATOM 1035 CB ASP A 61 -9.277 -2.099 -9.497 1.00 0.00 C ATOM 1036 CG ASP A 61 -9.235 -1.297 -10.785 1.00 0.00 C ATOM 1037 OD1 ASP A 61 -8.780 -0.134 -10.765 1.00 0.00 O ATOM 1038 OD2 ASP A 61 -9.662 -1.830 -11.832 1.00 0.00 O ATOM 0 H ASP A 61 -8.036 -0.570 -7.990 1.00 0.00 H new ATOM 0 HA ASP A 61 -10.750 -0.725 -8.743 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -8.259 -2.359 -9.206 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -9.806 -3.035 -9.677 1.00 0.00 H new ATOM 1043 N LEU A 62 -9.717 -2.949 -6.536 1.00 0.00 N ATOM 1044 CA LEU A 62 -10.154 -3.936 -5.551 1.00 0.00 C ATOM 1045 C LEU A 62 -11.185 -3.334 -4.592 1.00 0.00 C ATOM 1046 O LEU A 62 -12.236 -3.927 -4.334 1.00 0.00 O ATOM 1047 CB LEU A 62 -8.942 -4.442 -4.757 1.00 0.00 C ATOM 1048 CG LEU A 62 -9.219 -5.591 -3.784 1.00 0.00 C ATOM 1049 CD1 LEU A 62 -9.425 -6.896 -4.536 1.00 0.00 C ATOM 1050 CD2 LEU A 62 -8.084 -5.725 -2.782 1.00 0.00 C ATOM 0 H LEU A 62 -8.714 -2.763 -6.522 1.00 0.00 H new ATOM 0 HA LEU A 62 -10.621 -4.767 -6.079 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -8.177 -4.765 -5.463 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -8.525 -3.607 -4.195 1.00 0.00 H new ATOM 0 HG LEU A 62 -10.135 -5.364 -3.239 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -9.620 -7.699 -3.825 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -10.274 -6.796 -5.213 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -8.529 -7.130 -5.110 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -8.298 -6.546 -2.098 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -7.153 -5.926 -3.312 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -7.986 -4.798 -2.217 1.00 0.00 H new ATOM 1062 N LEU A 63 -10.881 -2.147 -4.084 1.00 0.00 N ATOM 1063 CA LEU A 63 -11.716 -1.494 -3.081 1.00 0.00 C ATOM 1064 C LEU A 63 -12.986 -0.908 -3.691 1.00 0.00 C ATOM 1065 O LEU A 63 -14.059 -1.012 -3.101 1.00 0.00 O ATOM 1066 CB LEU A 63 -10.920 -0.401 -2.374 1.00 0.00 C ATOM 1067 CG LEU A 63 -9.606 -0.870 -1.749 1.00 0.00 C ATOM 1068 CD1 LEU A 63 -8.850 0.306 -1.169 1.00 0.00 C ATOM 1069 CD2 LEU A 63 -9.862 -1.921 -0.681 1.00 0.00 C ATOM 0 H LEU A 63 -10.055 -1.612 -4.352 1.00 0.00 H new ATOM 0 HA LEU A 63 -12.019 -2.251 -2.358 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -10.703 0.392 -3.089 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -11.543 0.035 -1.593 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.996 -1.323 -2.531 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -7.917 -0.043 -0.728 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -8.631 1.024 -1.960 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -9.457 0.786 -0.401 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -8.913 -2.240 -0.250 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -10.492 -1.499 0.102 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -10.364 -2.779 -1.128 1.00 0.00 H new ATOM 1081 N ASP A 64 -12.864 -0.293 -4.868 1.00 0.00 N ATOM 1082 CA ASP A 64 -14.028 0.255 -5.571 1.00 0.00 C ATOM 1083 C ASP A 64 -15.019 -0.856 -5.876 1.00 0.00 C ATOM 1084 O ASP A 64 -16.231 -0.699 -5.716 1.00 0.00 O ATOM 1085 CB ASP A 64 -13.597 0.936 -6.878 1.00 0.00 C ATOM 1086 CG ASP A 64 -14.764 1.485 -7.681 1.00 0.00 C ATOM 1087 OD1 ASP A 64 -15.440 0.701 -8.376 1.00 0.00 O ATOM 1088 OD2 ASP A 64 -14.998 2.713 -7.644 1.00 0.00 O ATOM 0 H ASP A 64 -11.977 -0.161 -5.354 1.00 0.00 H new ATOM 0 HA ASP A 64 -14.502 0.997 -4.929 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -12.909 1.749 -6.646 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -13.049 0.219 -7.490 1.00 0.00 H new ATOM 1093 N ASN A 65 -14.476 -1.995 -6.285 1.00 0.00 N ATOM 1094 CA ASN A 65 -15.275 -3.163 -6.635 1.00 0.00 C ATOM 1095 C ASN A 65 -15.870 -3.790 -5.378 1.00 0.00 C ATOM 1096 O ASN A 65 -16.744 -4.656 -5.452 1.00 0.00 O ATOM 1097 CB ASN A 65 -14.387 -4.172 -7.363 1.00 0.00 C ATOM 1098 CG ASN A 65 -15.136 -5.078 -8.321 1.00 0.00 C ATOM 1099 OD1 ASN A 65 -16.279 -5.470 -8.083 1.00 0.00 O ATOM 1100 ND2 ASN A 65 -14.492 -5.397 -9.433 1.00 0.00 N ATOM 0 H ASN A 65 -13.471 -2.136 -6.384 1.00 0.00 H new ATOM 0 HA ASN A 65 -16.095 -2.863 -7.287 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -13.619 -3.631 -7.916 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -13.874 -4.787 -6.624 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -14.942 -5.989 -10.131 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -13.546 -5.051 -9.591 1.00 0.00 H new ATOM 1107 N LYS A 66 -15.380 -3.333 -4.224 1.00 0.00 N ATOM 1108 CA LYS A 66 -15.849 -3.799 -2.924 1.00 0.00 C ATOM 1109 C LYS A 66 -15.584 -5.289 -2.769 1.00 0.00 C ATOM 1110 O LYS A 66 -16.358 -6.021 -2.150 1.00 0.00 O ATOM 1111 CB LYS A 66 -17.334 -3.476 -2.752 1.00 0.00 C ATOM 1112 CG LYS A 66 -17.644 -2.008 -2.991 1.00 0.00 C ATOM 1113 CD LYS A 66 -19.132 -1.722 -2.937 1.00 0.00 C ATOM 1114 CE LYS A 66 -19.461 -0.416 -3.641 1.00 0.00 C ATOM 1115 NZ LYS A 66 -19.067 -0.454 -5.077 1.00 0.00 N ATOM 0 H LYS A 66 -14.645 -2.628 -4.168 1.00 0.00 H new ATOM 0 HA LYS A 66 -15.299 -3.279 -2.140 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -17.917 -4.084 -3.444 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -17.647 -3.750 -1.745 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -17.132 -1.403 -2.242 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -17.253 -1.709 -3.964 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -19.680 -2.540 -3.405 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -19.459 -1.672 -1.898 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -20.530 -0.218 -3.561 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -18.947 0.406 -3.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -19.589 0.278 -5.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -18.045 -0.278 -5.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -19.291 -1.389 -5.474 1.00 0.00 H new ATOM 1129 N GLN A 67 -14.467 -5.714 -3.335 1.00 0.00 N ATOM 1130 CA GLN A 67 -14.027 -7.093 -3.249 1.00 0.00 C ATOM 1131 C GLN A 67 -13.470 -7.376 -1.863 1.00 0.00 C ATOM 1132 O GLN A 67 -12.769 -6.537 -1.294 1.00 0.00 O ATOM 1133 CB GLN A 67 -12.952 -7.355 -4.303 1.00 0.00 C ATOM 1134 CG GLN A 67 -13.476 -7.347 -5.728 1.00 0.00 C ATOM 1135 CD GLN A 67 -14.247 -8.606 -6.070 1.00 0.00 C ATOM 1136 OE1 GLN A 67 -15.190 -8.575 -6.862 1.00 0.00 O ATOM 1137 NE2 GLN A 67 -13.840 -9.728 -5.495 1.00 0.00 N ATOM 0 H GLN A 67 -13.840 -5.111 -3.867 1.00 0.00 H new ATOM 0 HA GLN A 67 -14.877 -7.751 -3.429 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -12.172 -6.600 -4.208 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -12.487 -8.320 -4.102 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -14.121 -6.480 -5.870 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -12.640 -7.238 -6.419 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -13.055 -9.712 -4.844 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -14.312 -10.608 -5.703 1.00 0.00 H new ATOM 1146 N PRO A 68 -13.790 -8.549 -1.292 1.00 0.00 N ATOM 1147 CA PRO A 68 -13.249 -8.965 0.002 1.00 0.00 C ATOM 1148 C PRO A 68 -11.729 -8.941 -0.009 1.00 0.00 C ATOM 1149 O PRO A 68 -11.101 -9.440 -0.949 1.00 0.00 O ATOM 1150 CB PRO A 68 -13.767 -10.396 0.170 1.00 0.00 C ATOM 1151 CG PRO A 68 -14.970 -10.475 -0.704 1.00 0.00 C ATOM 1152 CD PRO A 68 -14.700 -9.556 -1.862 1.00 0.00 C ATOM 0 HA PRO A 68 -13.552 -8.305 0.815 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -13.014 -11.126 -0.128 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -14.020 -10.605 1.209 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -15.137 -11.496 -1.047 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -15.866 -10.169 -0.164 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -14.241 -10.086 -2.697 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -15.617 -9.102 -2.238 1.00 0.00 H new ATOM 1160 N LEU A 69 -11.142 -8.362 1.027 1.00 0.00 N ATOM 1161 CA LEU A 69 -9.699 -8.192 1.087 1.00 0.00 C ATOM 1162 C LEU A 69 -8.996 -9.545 1.184 1.00 0.00 C ATOM 1163 O LEU A 69 -9.574 -10.518 1.674 1.00 0.00 O ATOM 1164 CB LEU A 69 -9.321 -7.278 2.258 1.00 0.00 C ATOM 1165 CG LEU A 69 -9.899 -5.861 2.170 1.00 0.00 C ATOM 1166 CD1 LEU A 69 -9.375 -4.992 3.302 1.00 0.00 C ATOM 1167 CD2 LEU A 69 -9.576 -5.232 0.823 1.00 0.00 C ATOM 0 H LEU A 69 -11.644 -8.002 1.839 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.364 -7.716 0.165 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -9.660 -7.738 3.186 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.235 -7.211 2.314 1.00 0.00 H new ATOM 0 HG LEU A 69 -10.982 -5.931 2.267 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -9.799 -3.991 3.219 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -9.661 -5.429 4.259 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.288 -4.932 3.241 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.995 -4.227 0.781 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -8.495 -5.180 0.696 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.006 -5.838 0.026 1.00 0.00 H new ATOM 1179 N PRO A 70 -7.745 -9.626 0.690 1.00 0.00 N ATOM 1180 CA PRO A 70 -6.987 -10.886 0.601 1.00 0.00 C ATOM 1181 C PRO A 70 -6.834 -11.607 1.942 1.00 0.00 C ATOM 1182 O PRO A 70 -6.636 -12.824 1.978 1.00 0.00 O ATOM 1183 CB PRO A 70 -5.613 -10.448 0.069 1.00 0.00 C ATOM 1184 CG PRO A 70 -5.556 -8.975 0.283 1.00 0.00 C ATOM 1185 CD PRO A 70 -6.970 -8.496 0.155 1.00 0.00 C ATOM 0 HA PRO A 70 -7.503 -11.606 -0.035 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -4.807 -10.954 0.601 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -5.503 -10.696 -0.987 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -5.149 -8.737 1.266 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -4.911 -8.496 -0.454 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -7.141 -7.582 0.724 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -7.232 -8.280 -0.881 1.00 0.00 H new ATOM 1193 N GLY A 71 -6.905 -10.857 3.037 1.00 0.00 N ATOM 1194 CA GLY A 71 -6.823 -11.455 4.358 1.00 0.00 C ATOM 1195 C GLY A 71 -5.397 -11.728 4.797 1.00 0.00 C ATOM 1196 O GLY A 71 -5.160 -12.130 5.936 1.00 0.00 O ATOM 0 H GLY A 71 -7.018 -9.843 3.033 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.299 -10.793 5.081 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.384 -12.389 4.363 1.00 0.00 H new ATOM 1200 N ALA A 72 -4.449 -11.496 3.901 1.00 0.00 N ATOM 1201 CA ALA A 72 -3.048 -11.766 4.168 1.00 0.00 C ATOM 1202 C ALA A 72 -2.180 -11.042 3.152 1.00 0.00 C ATOM 1203 O ALA A 72 -1.851 -11.583 2.096 1.00 0.00 O ATOM 1204 CB ALA A 72 -2.765 -13.262 4.144 1.00 0.00 C ATOM 0 H ALA A 72 -4.631 -11.116 2.972 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.809 -11.398 5.166 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.708 -13.436 4.347 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -3.367 -13.758 4.905 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -3.017 -13.664 3.163 1.00 0.00 H new ATOM 1210 N PHE A 73 -1.872 -9.796 3.454 1.00 0.00 N ATOM 1211 CA PHE A 73 -1.035 -8.980 2.590 1.00 0.00 C ATOM 1212 C PHE A 73 0.015 -8.241 3.416 1.00 0.00 C ATOM 1213 O PHE A 73 -0.194 -7.104 3.844 1.00 0.00 O ATOM 1214 CB PHE A 73 -1.901 -7.993 1.800 1.00 0.00 C ATOM 1215 CG PHE A 73 -1.157 -7.236 0.736 1.00 0.00 C ATOM 1216 CD1 PHE A 73 -0.902 -7.817 -0.495 1.00 0.00 C ATOM 1217 CD2 PHE A 73 -0.718 -5.941 0.963 1.00 0.00 C ATOM 1218 CE1 PHE A 73 -0.225 -7.123 -1.478 1.00 0.00 C ATOM 1219 CE2 PHE A 73 -0.040 -5.242 -0.015 1.00 0.00 C ATOM 1220 CZ PHE A 73 0.207 -5.834 -1.237 1.00 0.00 C ATOM 0 H PHE A 73 -2.191 -9.321 4.299 1.00 0.00 H new ATOM 0 HA PHE A 73 -0.517 -9.627 1.882 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -2.722 -8.539 1.335 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -2.345 -7.280 2.494 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -1.237 -8.825 -0.688 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -0.909 -5.473 1.917 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -0.034 -7.588 -2.434 1.00 0.00 H new ATOM 0 HE2 PHE A 73 0.297 -4.234 0.176 1.00 0.00 H new ATOM 0 HZ PHE A 73 0.738 -5.289 -2.004 1.00 0.00 H new ATOM 1230 N ALA A 74 1.134 -8.906 3.660 1.00 0.00 N ATOM 1231 CA ALA A 74 2.206 -8.335 4.458 1.00 0.00 C ATOM 1232 C ALA A 74 3.433 -8.067 3.598 1.00 0.00 C ATOM 1233 O ALA A 74 4.171 -8.989 3.241 1.00 0.00 O ATOM 1234 CB ALA A 74 2.559 -9.258 5.614 1.00 0.00 C ATOM 0 H ALA A 74 1.323 -9.847 3.314 1.00 0.00 H new ATOM 0 HA ALA A 74 1.860 -7.385 4.866 1.00 0.00 H new ATOM 0 HB1 ALA A 74 3.363 -8.815 6.201 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.683 -9.399 6.247 1.00 0.00 H new ATOM 0 HB3 ALA A 74 2.884 -10.222 5.223 1.00 0.00 H new ATOM 1240 N VAL A 75 3.638 -6.804 3.253 1.00 0.00 N ATOM 1241 CA VAL A 75 4.779 -6.407 2.439 1.00 0.00 C ATOM 1242 C VAL A 75 5.825 -5.684 3.282 1.00 0.00 C ATOM 1243 O VAL A 75 6.968 -5.512 2.858 1.00 0.00 O ATOM 1244 CB VAL A 75 4.352 -5.498 1.265 1.00 0.00 C ATOM 1245 CG1 VAL A 75 3.402 -6.232 0.334 1.00 0.00 C ATOM 1246 CG2 VAL A 75 3.707 -4.214 1.772 1.00 0.00 C ATOM 0 H VAL A 75 3.027 -6.034 3.525 1.00 0.00 H new ATOM 0 HA VAL A 75 5.212 -7.321 2.032 1.00 0.00 H new ATOM 0 HB VAL A 75 5.250 -5.232 0.707 1.00 0.00 H new ATOM 0 HG11 VAL A 75 3.114 -5.573 -0.485 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.897 -7.116 -0.068 1.00 0.00 H new ATOM 0 HG13 VAL A 75 2.512 -6.534 0.886 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.416 -3.593 0.924 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.824 -4.459 2.362 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.419 -3.670 2.393 1.00 0.00 H new ATOM 1256 N ALA A 76 5.426 -5.287 4.487 1.00 0.00 N ATOM 1257 CA ALA A 76 6.299 -4.545 5.396 1.00 0.00 C ATOM 1258 C ALA A 76 7.643 -5.252 5.629 1.00 0.00 C ATOM 1259 O ALA A 76 8.694 -4.639 5.434 1.00 0.00 O ATOM 1260 CB ALA A 76 5.590 -4.281 6.718 1.00 0.00 C ATOM 0 H ALA A 76 4.494 -5.468 4.861 1.00 0.00 H new ATOM 0 HA ALA A 76 6.524 -3.592 4.918 1.00 0.00 H new ATOM 0 HB1 ALA A 76 6.254 -3.728 7.383 1.00 0.00 H new ATOM 0 HB2 ALA A 76 4.688 -3.696 6.537 1.00 0.00 H new ATOM 0 HB3 ALA A 76 5.320 -5.230 7.182 1.00 0.00 H new ATOM 1266 N PRO A 77 7.649 -6.546 6.035 1.00 0.00 N ATOM 1267 CA PRO A 77 8.896 -7.284 6.288 1.00 0.00 C ATOM 1268 C PRO A 77 9.836 -7.284 5.086 1.00 0.00 C ATOM 1269 O PRO A 77 11.059 -7.243 5.236 1.00 0.00 O ATOM 1270 CB PRO A 77 8.431 -8.715 6.593 1.00 0.00 C ATOM 1271 CG PRO A 77 7.013 -8.778 6.139 1.00 0.00 C ATOM 1272 CD PRO A 77 6.470 -7.391 6.299 1.00 0.00 C ATOM 0 HA PRO A 77 9.465 -6.826 7.097 1.00 0.00 H new ATOM 0 HB2 PRO A 77 9.044 -9.447 6.068 1.00 0.00 H new ATOM 0 HB3 PRO A 77 8.513 -8.936 7.657 1.00 0.00 H new ATOM 0 HG2 PRO A 77 6.949 -9.105 5.101 1.00 0.00 H new ATOM 0 HG3 PRO A 77 6.443 -9.492 6.734 1.00 0.00 H new ATOM 0 HD2 PRO A 77 5.662 -7.189 5.596 1.00 0.00 H new ATOM 0 HD3 PRO A 77 6.070 -7.226 7.299 1.00 0.00 H new ATOM 1280 N TYR A 78 9.260 -7.317 3.892 1.00 0.00 N ATOM 1281 CA TYR A 78 10.045 -7.344 2.669 1.00 0.00 C ATOM 1282 C TYR A 78 10.680 -5.983 2.414 1.00 0.00 C ATOM 1283 O TYR A 78 11.875 -5.889 2.132 1.00 0.00 O ATOM 1284 CB TYR A 78 9.174 -7.754 1.481 1.00 0.00 C ATOM 1285 CG TYR A 78 9.932 -7.846 0.175 1.00 0.00 C ATOM 1286 CD1 TYR A 78 10.631 -8.996 -0.162 1.00 0.00 C ATOM 1287 CD2 TYR A 78 9.945 -6.784 -0.722 1.00 0.00 C ATOM 1288 CE1 TYR A 78 11.325 -9.088 -1.352 1.00 0.00 C ATOM 1289 CE2 TYR A 78 10.636 -6.867 -1.915 1.00 0.00 C ATOM 1290 CZ TYR A 78 11.324 -8.022 -2.227 1.00 0.00 C ATOM 1291 OH TYR A 78 12.013 -8.112 -3.417 1.00 0.00 O ATOM 0 H TYR A 78 8.251 -7.326 3.746 1.00 0.00 H new ATOM 0 HA TYR A 78 10.839 -8.082 2.787 1.00 0.00 H new ATOM 0 HB2 TYR A 78 8.716 -8.720 1.694 1.00 0.00 H new ATOM 0 HB3 TYR A 78 8.363 -7.034 1.370 1.00 0.00 H new ATOM 0 HD1 TYR A 78 10.632 -9.834 0.519 1.00 0.00 H new ATOM 0 HD2 TYR A 78 9.406 -5.879 -0.482 1.00 0.00 H new ATOM 0 HE1 TYR A 78 11.866 -9.990 -1.596 1.00 0.00 H new ATOM 0 HE2 TYR A 78 10.638 -6.032 -2.600 1.00 0.00 H new ATOM 0 HH TYR A 78 11.737 -8.923 -3.894 1.00 0.00 H new ATOM 1301 N TYR A 79 9.881 -4.930 2.533 1.00 0.00 N ATOM 1302 CA TYR A 79 10.362 -3.576 2.294 1.00 0.00 C ATOM 1303 C TYR A 79 11.386 -3.157 3.337 1.00 0.00 C ATOM 1304 O TYR A 79 12.252 -2.335 3.059 1.00 0.00 O ATOM 1305 CB TYR A 79 9.201 -2.585 2.259 1.00 0.00 C ATOM 1306 CG TYR A 79 8.487 -2.559 0.929 1.00 0.00 C ATOM 1307 CD1 TYR A 79 7.487 -3.473 0.632 1.00 0.00 C ATOM 1308 CD2 TYR A 79 8.825 -1.621 -0.035 1.00 0.00 C ATOM 1309 CE1 TYR A 79 6.843 -3.451 -0.588 1.00 0.00 C ATOM 1310 CE2 TYR A 79 8.185 -1.592 -1.256 1.00 0.00 C ATOM 1311 CZ TYR A 79 7.196 -2.511 -1.526 1.00 0.00 C ATOM 1312 OH TYR A 79 6.559 -2.491 -2.741 1.00 0.00 O ATOM 0 H TYR A 79 8.897 -4.988 2.794 1.00 0.00 H new ATOM 0 HA TYR A 79 10.853 -3.570 1.321 1.00 0.00 H new ATOM 0 HB2 TYR A 79 8.488 -2.841 3.043 1.00 0.00 H new ATOM 0 HB3 TYR A 79 9.576 -1.586 2.483 1.00 0.00 H new ATOM 0 HD1 TYR A 79 7.208 -4.213 1.367 1.00 0.00 H new ATOM 0 HD2 TYR A 79 9.603 -0.901 0.174 1.00 0.00 H new ATOM 0 HE1 TYR A 79 6.066 -4.169 -0.805 1.00 0.00 H new ATOM 0 HE2 TYR A 79 8.458 -0.854 -1.995 1.00 0.00 H new ATOM 0 HH TYR A 79 7.157 -2.109 -3.417 1.00 0.00 H new ATOM 1322 N GLU A 80 11.293 -3.730 4.528 1.00 0.00 N ATOM 1323 CA GLU A 80 12.276 -3.475 5.575 1.00 0.00 C ATOM 1324 C GLU A 80 13.673 -3.873 5.098 1.00 0.00 C ATOM 1325 O GLU A 80 14.668 -3.226 5.425 1.00 0.00 O ATOM 1326 CB GLU A 80 11.911 -4.258 6.837 1.00 0.00 C ATOM 1327 CG GLU A 80 12.833 -3.985 8.013 1.00 0.00 C ATOM 1328 CD GLU A 80 12.552 -4.890 9.188 1.00 0.00 C ATOM 1329 OE1 GLU A 80 12.923 -6.075 9.125 1.00 0.00 O ATOM 1330 OE2 GLU A 80 11.951 -4.429 10.179 1.00 0.00 O ATOM 0 H GLU A 80 10.549 -4.374 4.795 1.00 0.00 H new ATOM 0 HA GLU A 80 12.275 -2.410 5.805 1.00 0.00 H new ATOM 0 HB2 GLU A 80 10.889 -4.012 7.124 1.00 0.00 H new ATOM 0 HB3 GLU A 80 11.931 -5.324 6.611 1.00 0.00 H new ATOM 0 HG2 GLU A 80 13.868 -4.115 7.697 1.00 0.00 H new ATOM 0 HG3 GLU A 80 12.723 -2.946 8.324 1.00 0.00 H new ATOM 1337 N MET A 81 13.734 -4.936 4.307 1.00 0.00 N ATOM 1338 CA MET A 81 14.999 -5.420 3.775 1.00 0.00 C ATOM 1339 C MET A 81 15.310 -4.763 2.436 1.00 0.00 C ATOM 1340 O MET A 81 16.467 -4.493 2.124 1.00 0.00 O ATOM 1341 CB MET A 81 14.960 -6.938 3.592 1.00 0.00 C ATOM 1342 CG MET A 81 14.655 -7.713 4.863 1.00 0.00 C ATOM 1343 SD MET A 81 14.606 -9.492 4.577 1.00 0.00 S ATOM 1344 CE MET A 81 13.417 -9.578 3.239 1.00 0.00 C ATOM 0 H MET A 81 12.920 -5.480 4.020 1.00 0.00 H new ATOM 0 HA MET A 81 15.780 -5.162 4.490 1.00 0.00 H new ATOM 0 HB2 MET A 81 14.208 -7.183 2.842 1.00 0.00 H new ATOM 0 HB3 MET A 81 15.921 -7.270 3.200 1.00 0.00 H new ATOM 0 HG2 MET A 81 15.411 -7.488 5.615 1.00 0.00 H new ATOM 0 HG3 MET A 81 13.697 -7.385 5.266 1.00 0.00 H new ATOM 0 HE1 MET A 81 12.868 -10.518 3.300 1.00 0.00 H new ATOM 0 HE2 MET A 81 12.719 -8.744 3.318 1.00 0.00 H new ATOM 0 HE3 MET A 81 13.940 -9.525 2.284 1.00 0.00 H new ATOM 1354 N ALA A 82 14.268 -4.508 1.651 1.00 0.00 N ATOM 1355 CA ALA A 82 14.429 -3.944 0.314 1.00 0.00 C ATOM 1356 C ALA A 82 14.840 -2.472 0.374 1.00 0.00 C ATOM 1357 O ALA A 82 15.603 -1.992 -0.463 1.00 0.00 O ATOM 1358 CB ALA A 82 13.142 -4.102 -0.485 1.00 0.00 C ATOM 0 H ALA A 82 13.299 -4.684 1.918 1.00 0.00 H new ATOM 0 HA ALA A 82 15.227 -4.493 -0.186 1.00 0.00 H new ATOM 0 HB1 ALA A 82 13.277 -3.677 -1.480 1.00 0.00 H new ATOM 0 HB2 ALA A 82 12.896 -5.160 -0.573 1.00 0.00 H new ATOM 0 HB3 ALA A 82 12.331 -3.582 0.025 1.00 0.00 H new ATOM 1364 N LEU A 83 14.327 -1.762 1.368 1.00 0.00 N ATOM 1365 CA LEU A 83 14.647 -0.352 1.556 1.00 0.00 C ATOM 1366 C LEU A 83 15.893 -0.210 2.426 1.00 0.00 C ATOM 1367 O LEU A 83 16.393 0.898 2.632 1.00 0.00 O ATOM 1368 CB LEU A 83 13.459 0.367 2.208 1.00 0.00 C ATOM 1369 CG LEU A 83 13.594 1.884 2.346 1.00 0.00 C ATOM 1370 CD1 LEU A 83 13.587 2.550 0.980 1.00 0.00 C ATOM 1371 CD2 LEU A 83 12.483 2.436 3.222 1.00 0.00 C ATOM 0 H LEU A 83 13.683 -2.141 2.062 1.00 0.00 H new ATOM 0 HA LEU A 83 14.846 0.102 0.585 1.00 0.00 H new ATOM 0 HB2 LEU A 83 12.564 0.152 1.624 1.00 0.00 H new ATOM 0 HB3 LEU A 83 13.302 -0.057 3.200 1.00 0.00 H new ATOM 0 HG LEU A 83 14.549 2.104 2.823 1.00 0.00 H new ATOM 0 HD11 LEU A 83 13.684 3.629 1.101 1.00 0.00 H new ATOM 0 HD12 LEU A 83 14.422 2.175 0.388 1.00 0.00 H new ATOM 0 HD13 LEU A 83 12.650 2.325 0.470 1.00 0.00 H new ATOM 0 HD21 LEU A 83 12.593 3.517 3.311 1.00 0.00 H new ATOM 0 HD22 LEU A 83 11.517 2.205 2.773 1.00 0.00 H new ATOM 0 HD23 LEU A 83 12.541 1.983 4.212 1.00 0.00 H new ATOM 1383 N ALA A 84 16.388 -1.358 2.905 1.00 0.00 N ATOM 1384 CA ALA A 84 17.521 -1.433 3.829 1.00 0.00 C ATOM 1385 C ALA A 84 17.112 -1.019 5.237 1.00 0.00 C ATOM 1386 O ALA A 84 16.455 0.004 5.437 1.00 0.00 O ATOM 1387 CB ALA A 84 18.701 -0.597 3.352 1.00 0.00 C ATOM 0 H ALA A 84 16.006 -2.271 2.657 1.00 0.00 H new ATOM 0 HA ALA A 84 17.841 -2.475 3.853 1.00 0.00 H new ATOM 0 HB1 ALA A 84 19.519 -0.681 4.067 1.00 0.00 H new ATOM 0 HB2 ALA A 84 19.032 -0.957 2.378 1.00 0.00 H new ATOM 0 HB3 ALA A 84 18.398 0.447 3.269 1.00 0.00 H new ATOM 1393 N THR A 85 17.513 -1.818 6.210 1.00 0.00 N ATOM 1394 CA THR A 85 17.200 -1.554 7.601 1.00 0.00 C ATOM 1395 C THR A 85 17.894 -0.287 8.099 1.00 0.00 C ATOM 1396 O THR A 85 17.386 0.410 8.980 1.00 0.00 O ATOM 1397 CB THR A 85 17.606 -2.756 8.472 1.00 0.00 C ATOM 1398 OG1 THR A 85 18.866 -3.275 8.026 1.00 0.00 O ATOM 1399 CG2 THR A 85 16.551 -3.851 8.416 1.00 0.00 C ATOM 0 H THR A 85 18.062 -2.664 6.058 1.00 0.00 H new ATOM 0 HA THR A 85 16.124 -1.400 7.679 1.00 0.00 H new ATOM 0 HB THR A 85 17.695 -2.417 9.504 1.00 0.00 H new ATOM 0 HG1 THR A 85 19.121 -4.039 8.584 1.00 0.00 H new ATOM 0 HG21 THR A 85 16.863 -4.689 9.040 1.00 0.00 H new ATOM 0 HG22 THR A 85 15.601 -3.460 8.781 1.00 0.00 H new ATOM 0 HG23 THR A 85 16.432 -4.190 7.387 1.00 0.00 H new ATOM 1407 N ASP A 86 19.042 0.016 7.507 1.00 0.00 N ATOM 1408 CA ASP A 86 19.834 1.187 7.880 1.00 0.00 C ATOM 1409 C ASP A 86 19.149 2.485 7.456 1.00 0.00 C ATOM 1410 O ASP A 86 19.424 3.549 8.013 1.00 0.00 O ATOM 1411 CB ASP A 86 21.220 1.095 7.235 1.00 0.00 C ATOM 1412 CG ASP A 86 22.071 2.329 7.466 1.00 0.00 C ATOM 1413 OD1 ASP A 86 22.724 2.416 8.526 1.00 0.00 O ATOM 1414 OD2 ASP A 86 22.096 3.213 6.582 1.00 0.00 O ATOM 0 H ASP A 86 19.452 -0.540 6.756 1.00 0.00 H new ATOM 0 HA ASP A 86 19.931 1.200 8.966 1.00 0.00 H new ATOM 0 HB2 ASP A 86 21.741 0.223 7.631 1.00 0.00 H new ATOM 0 HB3 ASP A 86 21.105 0.937 6.163 1.00 0.00 H new ATOM 1419 N HIS A 87 18.251 2.381 6.477 1.00 0.00 N ATOM 1420 CA HIS A 87 17.584 3.549 5.899 1.00 0.00 C ATOM 1421 C HIS A 87 16.874 4.366 6.976 1.00 0.00 C ATOM 1422 O HIS A 87 15.948 3.881 7.625 1.00 0.00 O ATOM 1423 CB HIS A 87 16.574 3.107 4.834 1.00 0.00 C ATOM 1424 CG HIS A 87 16.014 4.229 4.010 1.00 0.00 C ATOM 1425 ND1 HIS A 87 16.485 4.540 2.753 1.00 0.00 N ATOM 1426 CD2 HIS A 87 15.006 5.101 4.256 1.00 0.00 C ATOM 1427 CE1 HIS A 87 15.798 5.556 2.264 1.00 0.00 C ATOM 1428 NE2 HIS A 87 14.895 5.912 3.154 1.00 0.00 N ATOM 0 H HIS A 87 17.966 1.493 6.064 1.00 0.00 H new ATOM 0 HA HIS A 87 18.346 4.177 5.437 1.00 0.00 H new ATOM 0 HB2 HIS A 87 17.055 2.389 4.170 1.00 0.00 H new ATOM 0 HB3 HIS A 87 15.751 2.586 5.324 1.00 0.00 H new ATOM 0 HD2 HIS A 87 14.403 5.149 5.151 1.00 0.00 H new ATOM 0 HE1 HIS A 87 15.951 6.016 1.299 1.00 0.00 H new ATOM 0 HE2 HIS A 87 14.221 6.669 3.042 1.00 0.00 H new ATOM 1437 N PRO A 88 17.303 5.619 7.171 1.00 0.00 N ATOM 1438 CA PRO A 88 16.695 6.514 8.154 1.00 0.00 C ATOM 1439 C PRO A 88 15.297 6.956 7.735 1.00 0.00 C ATOM 1440 O PRO A 88 15.055 7.233 6.554 1.00 0.00 O ATOM 1441 CB PRO A 88 17.650 7.708 8.188 1.00 0.00 C ATOM 1442 CG PRO A 88 18.323 7.699 6.860 1.00 0.00 C ATOM 1443 CD PRO A 88 18.419 6.258 6.451 1.00 0.00 C ATOM 0 HA PRO A 88 16.565 6.033 9.124 1.00 0.00 H new ATOM 0 HB2 PRO A 88 17.110 8.641 8.351 1.00 0.00 H new ATOM 0 HB3 PRO A 88 18.373 7.612 8.998 1.00 0.00 H new ATOM 0 HG2 PRO A 88 17.753 8.274 6.130 1.00 0.00 H new ATOM 0 HG3 PRO A 88 19.312 8.153 6.921 1.00 0.00 H new ATOM 0 HD2 PRO A 88 18.320 6.140 5.372 1.00 0.00 H new ATOM 0 HD3 PRO A 88 19.379 5.824 6.732 1.00 0.00 H new ATOM 1451 N GLN A 89 14.392 7.011 8.709 1.00 0.00 N ATOM 1452 CA GLN A 89 12.993 7.376 8.478 1.00 0.00 C ATOM 1453 C GLN A 89 12.291 6.295 7.653 1.00 0.00 C ATOM 1454 O GLN A 89 11.441 6.580 6.805 1.00 0.00 O ATOM 1455 CB GLN A 89 12.883 8.746 7.793 1.00 0.00 C ATOM 1456 CG GLN A 89 11.518 9.397 7.959 1.00 0.00 C ATOM 1457 CD GLN A 89 11.402 10.727 7.243 1.00 0.00 C ATOM 1458 OE1 GLN A 89 12.014 10.945 6.197 1.00 0.00 O ATOM 1459 NE2 GLN A 89 10.612 11.630 7.801 1.00 0.00 N ATOM 0 H GLN A 89 14.607 6.803 9.684 1.00 0.00 H new ATOM 0 HA GLN A 89 12.496 7.450 9.445 1.00 0.00 H new ATOM 0 HB2 GLN A 89 13.646 9.410 8.200 1.00 0.00 H new ATOM 0 HB3 GLN A 89 13.095 8.631 6.730 1.00 0.00 H new ATOM 0 HG2 GLN A 89 10.751 8.720 7.582 1.00 0.00 H new ATOM 0 HG3 GLN A 89 11.319 9.544 9.021 1.00 0.00 H new ATOM 0 HE21 GLN A 89 10.121 11.412 8.668 1.00 0.00 H new ATOM 0 HE22 GLN A 89 10.494 12.544 7.364 1.00 0.00 H new ATOM 1468 N ARG A 90 12.649 5.047 7.924 1.00 0.00 N ATOM 1469 CA ARG A 90 12.020 3.907 7.271 1.00 0.00 C ATOM 1470 C ARG A 90 10.730 3.546 8.000 1.00 0.00 C ATOM 1471 O ARG A 90 9.825 2.937 7.426 1.00 0.00 O ATOM 1472 CB ARG A 90 12.963 2.694 7.269 1.00 0.00 C ATOM 1473 CG ARG A 90 13.211 2.127 8.659 1.00 0.00 C ATOM 1474 CD ARG A 90 13.949 0.799 8.626 1.00 0.00 C ATOM 1475 NE ARG A 90 13.396 -0.123 9.620 1.00 0.00 N ATOM 1476 CZ ARG A 90 14.110 -0.948 10.384 1.00 0.00 C ATOM 1477 NH1 ARG A 90 15.437 -0.917 10.366 1.00 0.00 N ATOM 1478 NH2 ARG A 90 13.483 -1.782 11.200 1.00 0.00 N ATOM 0 H ARG A 90 13.376 4.798 8.595 1.00 0.00 H new ATOM 0 HA ARG A 90 11.797 4.179 6.239 1.00 0.00 H new ATOM 0 HB2 ARG A 90 12.540 1.914 6.635 1.00 0.00 H new ATOM 0 HB3 ARG A 90 13.916 2.983 6.826 1.00 0.00 H new ATOM 0 HG2 ARG A 90 13.788 2.845 9.242 1.00 0.00 H new ATOM 0 HG3 ARG A 90 12.257 1.995 9.169 1.00 0.00 H new ATOM 0 HD2 ARG A 90 13.872 0.359 7.632 1.00 0.00 H new ATOM 0 HD3 ARG A 90 15.009 0.961 8.822 1.00 0.00 H new ATOM 0 HE ARG A 90 12.383 -0.134 9.737 1.00 0.00 H new ATOM 0 HH11 ARG A 90 15.924 -0.255 9.761 1.00 0.00 H new ATOM 0 HH12 ARG A 90 15.970 -1.555 10.957 1.00 0.00 H new ATOM 0 HH21 ARG A 90 12.464 -1.788 11.239 1.00 0.00 H new ATOM 0 HH22 ARG A 90 14.019 -2.418 11.790 1.00 0.00 H new ATOM 1492 N ALA A 91 10.662 3.945 9.271 1.00 0.00 N ATOM 1493 CA ALA A 91 9.554 3.594 10.152 1.00 0.00 C ATOM 1494 C ALA A 91 8.212 4.025 9.582 1.00 0.00 C ATOM 1495 O ALA A 91 7.277 3.236 9.550 1.00 0.00 O ATOM 1496 CB ALA A 91 9.760 4.205 11.529 1.00 0.00 C ATOM 0 H ALA A 91 11.376 4.521 9.716 1.00 0.00 H new ATOM 0 HA ALA A 91 9.539 2.508 10.238 1.00 0.00 H new ATOM 0 HB1 ALA A 91 8.925 3.935 12.176 1.00 0.00 H new ATOM 0 HB2 ALA A 91 10.689 3.829 11.959 1.00 0.00 H new ATOM 0 HB3 ALA A 91 9.814 5.290 11.441 1.00 0.00 H new ATOM 1502 N LEU A 92 8.123 5.272 9.127 1.00 0.00 N ATOM 1503 CA LEU A 92 6.877 5.802 8.573 1.00 0.00 C ATOM 1504 C LEU A 92 6.376 4.941 7.423 1.00 0.00 C ATOM 1505 O LEU A 92 5.183 4.658 7.315 1.00 0.00 O ATOM 1506 CB LEU A 92 7.070 7.238 8.084 1.00 0.00 C ATOM 1507 CG LEU A 92 7.414 8.255 9.172 1.00 0.00 C ATOM 1508 CD1 LEU A 92 7.568 9.639 8.572 1.00 0.00 C ATOM 1509 CD2 LEU A 92 6.350 8.263 10.262 1.00 0.00 C ATOM 0 H LEU A 92 8.898 5.935 9.130 1.00 0.00 H new ATOM 0 HA LEU A 92 6.134 5.790 9.371 1.00 0.00 H new ATOM 0 HB2 LEU A 92 7.863 7.247 7.337 1.00 0.00 H new ATOM 0 HB3 LEU A 92 6.157 7.560 7.583 1.00 0.00 H new ATOM 0 HG LEU A 92 8.362 7.964 9.624 1.00 0.00 H new ATOM 0 HD11 LEU A 92 7.813 10.352 9.359 1.00 0.00 H new ATOM 0 HD12 LEU A 92 8.368 9.628 7.831 1.00 0.00 H new ATOM 0 HD13 LEU A 92 6.634 9.934 8.093 1.00 0.00 H new ATOM 0 HD21 LEU A 92 6.616 8.994 11.025 1.00 0.00 H new ATOM 0 HD22 LEU A 92 5.386 8.527 9.827 1.00 0.00 H new ATOM 0 HD23 LEU A 92 6.285 7.274 10.715 1.00 0.00 H new ATOM 1521 N ILE A 93 7.300 4.510 6.579 1.00 0.00 N ATOM 1522 CA ILE A 93 6.959 3.718 5.410 1.00 0.00 C ATOM 1523 C ILE A 93 6.480 2.331 5.820 1.00 0.00 C ATOM 1524 O ILE A 93 5.426 1.869 5.382 1.00 0.00 O ATOM 1525 CB ILE A 93 8.166 3.591 4.457 1.00 0.00 C ATOM 1526 CG1 ILE A 93 8.681 4.987 4.089 1.00 0.00 C ATOM 1527 CG2 ILE A 93 7.787 2.807 3.205 1.00 0.00 C ATOM 1528 CD1 ILE A 93 9.877 4.980 3.164 1.00 0.00 C ATOM 0 H ILE A 93 8.297 4.697 6.684 1.00 0.00 H new ATOM 0 HA ILE A 93 6.153 4.232 4.886 1.00 0.00 H new ATOM 0 HB ILE A 93 8.960 3.043 4.964 1.00 0.00 H new ATOM 0 HG12 ILE A 93 7.874 5.548 3.617 1.00 0.00 H new ATOM 0 HG13 ILE A 93 8.946 5.518 5.004 1.00 0.00 H new ATOM 0 HG21 ILE A 93 8.653 2.730 2.548 1.00 0.00 H new ATOM 0 HG22 ILE A 93 7.456 1.808 3.488 1.00 0.00 H new ATOM 0 HG23 ILE A 93 6.980 3.322 2.683 1.00 0.00 H new ATOM 0 HD11 ILE A 93 10.179 6.006 2.952 1.00 0.00 H new ATOM 0 HD12 ILE A 93 10.702 4.449 3.640 1.00 0.00 H new ATOM 0 HD13 ILE A 93 9.613 4.480 2.232 1.00 0.00 H new ATOM 1540 N LEU A 94 7.242 1.685 6.691 1.00 0.00 N ATOM 1541 CA LEU A 94 6.921 0.336 7.129 1.00 0.00 C ATOM 1542 C LEU A 94 5.670 0.319 8.000 1.00 0.00 C ATOM 1543 O LEU A 94 4.862 -0.601 7.910 1.00 0.00 O ATOM 1544 CB LEU A 94 8.103 -0.278 7.881 1.00 0.00 C ATOM 1545 CG LEU A 94 9.382 -0.411 7.055 1.00 0.00 C ATOM 1546 CD1 LEU A 94 10.489 -1.036 7.881 1.00 0.00 C ATOM 1547 CD2 LEU A 94 9.128 -1.234 5.802 1.00 0.00 C ATOM 0 H LEU A 94 8.087 2.074 7.108 1.00 0.00 H new ATOM 0 HA LEU A 94 6.720 -0.264 6.242 1.00 0.00 H new ATOM 0 HB2 LEU A 94 8.315 0.332 8.759 1.00 0.00 H new ATOM 0 HB3 LEU A 94 7.814 -1.265 8.241 1.00 0.00 H new ATOM 0 HG LEU A 94 9.698 0.588 6.754 1.00 0.00 H new ATOM 0 HD11 LEU A 94 11.391 -1.122 7.275 1.00 0.00 H new ATOM 0 HD12 LEU A 94 10.693 -0.409 8.749 1.00 0.00 H new ATOM 0 HD13 LEU A 94 10.180 -2.027 8.214 1.00 0.00 H new ATOM 0 HD21 LEU A 94 10.051 -1.317 5.228 1.00 0.00 H new ATOM 0 HD22 LEU A 94 8.785 -2.230 6.084 1.00 0.00 H new ATOM 0 HD23 LEU A 94 8.365 -0.746 5.195 1.00 0.00 H new ATOM 1559 N ALA A 95 5.506 1.353 8.823 1.00 0.00 N ATOM 1560 CA ALA A 95 4.344 1.466 9.699 1.00 0.00 C ATOM 1561 C ALA A 95 3.061 1.500 8.891 1.00 0.00 C ATOM 1562 O ALA A 95 2.090 0.819 9.219 1.00 0.00 O ATOM 1563 CB ALA A 95 4.440 2.708 10.567 1.00 0.00 C ATOM 0 H ALA A 95 6.166 2.127 8.901 1.00 0.00 H new ATOM 0 HA ALA A 95 4.329 0.588 10.345 1.00 0.00 H new ATOM 0 HB1 ALA A 95 3.563 2.770 11.211 1.00 0.00 H new ATOM 0 HB2 ALA A 95 5.338 2.654 11.182 1.00 0.00 H new ATOM 0 HB3 ALA A 95 4.488 3.593 9.932 1.00 0.00 H new ATOM 1569 N GLU A 96 3.065 2.288 7.826 1.00 0.00 N ATOM 1570 CA GLU A 96 1.908 2.381 6.954 1.00 0.00 C ATOM 1571 C GLU A 96 1.672 1.067 6.219 1.00 0.00 C ATOM 1572 O GLU A 96 0.531 0.696 5.949 1.00 0.00 O ATOM 1573 CB GLU A 96 2.065 3.541 5.972 1.00 0.00 C ATOM 1574 CG GLU A 96 1.876 4.901 6.621 1.00 0.00 C ATOM 1575 CD GLU A 96 0.624 4.963 7.477 1.00 0.00 C ATOM 1576 OE1 GLU A 96 -0.488 4.798 6.934 1.00 0.00 O ATOM 1577 OE2 GLU A 96 0.746 5.160 8.707 1.00 0.00 O ATOM 0 H GLU A 96 3.855 2.870 7.547 1.00 0.00 H new ATOM 0 HA GLU A 96 1.031 2.578 7.571 1.00 0.00 H new ATOM 0 HB2 GLU A 96 3.056 3.495 5.520 1.00 0.00 H new ATOM 0 HB3 GLU A 96 1.341 3.426 5.165 1.00 0.00 H new ATOM 0 HG2 GLU A 96 2.746 5.131 7.236 1.00 0.00 H new ATOM 0 HG3 GLU A 96 1.822 5.666 5.847 1.00 0.00 H new ATOM 1584 N LEU A 97 2.747 0.347 5.927 1.00 0.00 N ATOM 1585 CA LEU A 97 2.631 -0.964 5.304 1.00 0.00 C ATOM 1586 C LEU A 97 2.011 -1.962 6.278 1.00 0.00 C ATOM 1587 O LEU A 97 1.206 -2.807 5.883 1.00 0.00 O ATOM 1588 CB LEU A 97 3.998 -1.462 4.830 1.00 0.00 C ATOM 1589 CG LEU A 97 4.655 -0.616 3.739 1.00 0.00 C ATOM 1590 CD1 LEU A 97 6.025 -1.171 3.390 1.00 0.00 C ATOM 1591 CD2 LEU A 97 3.772 -0.562 2.502 1.00 0.00 C ATOM 0 H LEU A 97 3.704 0.647 6.111 1.00 0.00 H new ATOM 0 HA LEU A 97 1.980 -0.873 4.435 1.00 0.00 H new ATOM 0 HB2 LEU A 97 4.669 -1.505 5.688 1.00 0.00 H new ATOM 0 HB3 LEU A 97 3.888 -2.481 4.460 1.00 0.00 H new ATOM 0 HG LEU A 97 4.779 0.399 4.118 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.479 -0.557 2.612 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.659 -1.160 4.277 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.922 -2.195 3.030 1.00 0.00 H new ATOM 0 HD21 LEU A 97 4.255 0.044 1.736 1.00 0.00 H new ATOM 0 HD22 LEU A 97 3.617 -1.572 2.121 1.00 0.00 H new ATOM 0 HD23 LEU A 97 2.810 -0.120 2.761 1.00 0.00 H new ATOM 1603 N GLU A 98 2.384 -1.853 7.552 1.00 0.00 N ATOM 1604 CA GLU A 98 1.811 -2.696 8.599 1.00 0.00 C ATOM 1605 C GLU A 98 0.356 -2.313 8.842 1.00 0.00 C ATOM 1606 O GLU A 98 -0.482 -3.164 9.138 1.00 0.00 O ATOM 1607 CB GLU A 98 2.605 -2.562 9.901 1.00 0.00 C ATOM 1608 CG GLU A 98 4.069 -2.946 9.770 1.00 0.00 C ATOM 1609 CD GLU A 98 4.826 -2.803 11.072 1.00 0.00 C ATOM 1610 OE1 GLU A 98 4.863 -1.683 11.629 1.00 0.00 O ATOM 1611 OE2 GLU A 98 5.395 -3.808 11.545 1.00 0.00 O ATOM 0 H GLU A 98 3.082 -1.188 7.884 1.00 0.00 H new ATOM 0 HA GLU A 98 1.861 -3.733 8.267 1.00 0.00 H new ATOM 0 HB2 GLU A 98 2.539 -1.532 10.251 1.00 0.00 H new ATOM 0 HB3 GLU A 98 2.142 -3.188 10.664 1.00 0.00 H new ATOM 0 HG2 GLU A 98 4.141 -3.977 9.423 1.00 0.00 H new ATOM 0 HG3 GLU A 98 4.538 -2.321 9.010 1.00 0.00 H new ATOM 1618 N LYS A 99 0.071 -1.023 8.721 1.00 0.00 N ATOM 1619 CA LYS A 99 -1.287 -0.516 8.852 1.00 0.00 C ATOM 1620 C LYS A 99 -2.157 -1.055 7.721 1.00 0.00 C ATOM 1621 O LYS A 99 -3.265 -1.538 7.950 1.00 0.00 O ATOM 1622 CB LYS A 99 -1.282 1.016 8.840 1.00 0.00 C ATOM 1623 CG LYS A 99 -2.656 1.637 9.047 1.00 0.00 C ATOM 1624 CD LYS A 99 -2.607 3.163 9.042 1.00 0.00 C ATOM 1625 CE LYS A 99 -2.032 3.739 10.334 1.00 0.00 C ATOM 1626 NZ LYS A 99 -0.554 3.593 10.436 1.00 0.00 N ATOM 0 H LYS A 99 0.769 -0.304 8.531 1.00 0.00 H new ATOM 0 HA LYS A 99 -1.701 -0.854 9.802 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -0.611 1.374 9.621 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -0.877 1.361 7.889 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -3.330 1.294 8.261 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -3.070 1.292 9.995 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -2.004 3.500 8.199 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -3.613 3.554 8.891 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -2.291 4.796 10.400 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -2.499 3.243 11.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -0.179 4.307 11.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -0.323 2.642 10.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -0.126 3.727 9.498 1.00 0.00 H new ATOM 1640 N LEU A 100 -1.634 -0.977 6.502 1.00 0.00 N ATOM 1641 CA LEU A 100 -2.320 -1.509 5.330 1.00 0.00 C ATOM 1642 C LEU A 100 -2.514 -3.016 5.474 1.00 0.00 C ATOM 1643 O LEU A 100 -3.572 -3.556 5.144 1.00 0.00 O ATOM 1644 CB LEU A 100 -1.512 -1.197 4.068 1.00 0.00 C ATOM 1645 CG LEU A 100 -2.199 -1.544 2.750 1.00 0.00 C ATOM 1646 CD1 LEU A 100 -3.455 -0.705 2.567 1.00 0.00 C ATOM 1647 CD2 LEU A 100 -1.243 -1.345 1.585 1.00 0.00 C ATOM 0 H LEU A 100 -0.731 -0.548 6.299 1.00 0.00 H new ATOM 0 HA LEU A 100 -3.300 -1.038 5.247 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -1.272 -0.134 4.064 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -0.567 -1.737 4.119 1.00 0.00 H new ATOM 0 HG LEU A 100 -2.492 -2.594 2.777 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -3.932 -0.965 1.622 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -4.145 -0.900 3.388 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -3.189 0.352 2.560 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -1.748 -1.597 0.653 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.920 -0.304 1.553 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -0.374 -1.991 1.713 1.00 0.00 H new ATOM 1659 N ASP A 101 -1.479 -3.680 5.979 1.00 0.00 N ATOM 1660 CA ASP A 101 -1.533 -5.108 6.277 1.00 0.00 C ATOM 1661 C ASP A 101 -2.679 -5.420 7.232 1.00 0.00 C ATOM 1662 O ASP A 101 -3.457 -6.350 7.005 1.00 0.00 O ATOM 1663 CB ASP A 101 -0.204 -5.559 6.890 1.00 0.00 C ATOM 1664 CG ASP A 101 -0.307 -6.883 7.617 1.00 0.00 C ATOM 1665 OD1 ASP A 101 -0.279 -7.938 6.953 1.00 0.00 O ATOM 1666 OD2 ASP A 101 -0.415 -6.871 8.860 1.00 0.00 O ATOM 0 H ASP A 101 -0.581 -3.245 6.193 1.00 0.00 H new ATOM 0 HA ASP A 101 -1.706 -5.650 5.347 1.00 0.00 H new ATOM 0 HB2 ASP A 101 0.544 -5.641 6.102 1.00 0.00 H new ATOM 0 HB3 ASP A 101 0.147 -4.796 7.585 1.00 0.00 H new ATOM 1671 N ALA A 102 -2.781 -4.622 8.289 1.00 0.00 N ATOM 1672 CA ALA A 102 -3.827 -4.793 9.286 1.00 0.00 C ATOM 1673 C ALA A 102 -5.203 -4.668 8.657 1.00 0.00 C ATOM 1674 O ALA A 102 -6.118 -5.414 9.000 1.00 0.00 O ATOM 1675 CB ALA A 102 -3.666 -3.773 10.399 1.00 0.00 C ATOM 0 H ALA A 102 -2.147 -3.846 8.477 1.00 0.00 H new ATOM 0 HA ALA A 102 -3.733 -5.794 9.707 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -4.455 -3.913 11.138 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -2.695 -3.905 10.876 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -3.732 -2.768 9.983 1.00 0.00 H new ATOM 1681 N LEU A 103 -5.336 -3.730 7.727 1.00 0.00 N ATOM 1682 CA LEU A 103 -6.597 -3.510 7.034 1.00 0.00 C ATOM 1683 C LEU A 103 -6.981 -4.737 6.213 1.00 0.00 C ATOM 1684 O LEU A 103 -8.104 -5.231 6.306 1.00 0.00 O ATOM 1685 CB LEU A 103 -6.492 -2.286 6.121 1.00 0.00 C ATOM 1686 CG LEU A 103 -6.113 -0.978 6.818 1.00 0.00 C ATOM 1687 CD1 LEU A 103 -5.974 0.141 5.799 1.00 0.00 C ATOM 1688 CD2 LEU A 103 -7.150 -0.613 7.867 1.00 0.00 C ATOM 0 H LEU A 103 -4.582 -3.108 7.435 1.00 0.00 H new ATOM 0 HA LEU A 103 -7.371 -3.333 7.781 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -5.753 -2.493 5.347 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -7.449 -2.146 5.618 1.00 0.00 H new ATOM 0 HG LEU A 103 -5.154 -1.117 7.316 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -5.704 1.066 6.309 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -5.197 -0.117 5.079 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -6.921 0.278 5.277 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -6.864 0.320 8.352 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -8.122 -0.491 7.390 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -7.209 -1.406 8.612 1.00 0.00 H new ATOM 1700 N PHE A 104 -6.031 -5.240 5.426 1.00 0.00 N ATOM 1701 CA PHE A 104 -6.281 -6.390 4.564 1.00 0.00 C ATOM 1702 C PHE A 104 -6.573 -7.649 5.369 1.00 0.00 C ATOM 1703 O PHE A 104 -7.334 -8.504 4.925 1.00 0.00 O ATOM 1704 CB PHE A 104 -5.096 -6.640 3.629 1.00 0.00 C ATOM 1705 CG PHE A 104 -4.993 -5.646 2.510 1.00 0.00 C ATOM 1706 CD1 PHE A 104 -6.071 -5.417 1.672 1.00 0.00 C ATOM 1707 CD2 PHE A 104 -3.822 -4.943 2.294 1.00 0.00 C ATOM 1708 CE1 PHE A 104 -5.983 -4.505 0.639 1.00 0.00 C ATOM 1709 CE2 PHE A 104 -3.728 -4.031 1.262 1.00 0.00 C ATOM 1710 CZ PHE A 104 -4.809 -3.810 0.434 1.00 0.00 C ATOM 0 H PHE A 104 -5.083 -4.868 5.369 1.00 0.00 H new ATOM 0 HA PHE A 104 -7.163 -6.154 3.969 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -4.174 -6.617 4.210 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -5.182 -7.641 3.207 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -6.992 -5.958 1.828 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -2.972 -5.109 2.939 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -6.832 -4.336 -0.007 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -2.807 -3.490 1.103 1.00 0.00 H new ATOM 0 HZ PHE A 104 -4.736 -3.095 -0.372 1.00 0.00 H new ATOM 1720 N ALA A 105 -5.967 -7.764 6.543 1.00 0.00 N ATOM 1721 CA ALA A 105 -6.174 -8.927 7.392 1.00 0.00 C ATOM 1722 C ALA A 105 -7.449 -8.788 8.217 1.00 0.00 C ATOM 1723 O ALA A 105 -8.008 -9.780 8.690 1.00 0.00 O ATOM 1724 CB ALA A 105 -4.974 -9.132 8.305 1.00 0.00 C ATOM 0 H ALA A 105 -5.329 -7.067 6.928 1.00 0.00 H new ATOM 0 HA ALA A 105 -6.283 -9.800 6.748 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -5.141 -10.005 8.935 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -4.080 -9.286 7.701 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -4.840 -8.251 8.933 1.00 0.00 H new ATOM 1730 N ASP A 106 -7.908 -7.554 8.378 1.00 0.00 N ATOM 1731 CA ASP A 106 -9.081 -7.269 9.197 1.00 0.00 C ATOM 1732 C ASP A 106 -10.365 -7.660 8.476 1.00 0.00 C ATOM 1733 O ASP A 106 -11.275 -8.235 9.080 1.00 0.00 O ATOM 1734 CB ASP A 106 -9.122 -5.788 9.571 1.00 0.00 C ATOM 1735 CG ASP A 106 -10.268 -5.455 10.504 1.00 0.00 C ATOM 1736 OD1 ASP A 106 -10.151 -5.728 11.716 1.00 0.00 O ATOM 1737 OD2 ASP A 106 -11.285 -4.907 10.034 1.00 0.00 O ATOM 0 H ASP A 106 -7.484 -6.730 7.951 1.00 0.00 H new ATOM 0 HA ASP A 106 -9.006 -7.865 10.107 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -8.180 -5.510 10.044 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -9.211 -5.190 8.664 1.00 0.00 H new ATOM 1742 N ASP A 107 -10.438 -7.344 7.190 1.00 0.00 N ATOM 1743 CA ASP A 107 -11.597 -7.708 6.385 1.00 0.00 C ATOM 1744 C ASP A 107 -11.504 -9.166 5.966 1.00 0.00 C ATOM 1745 O ASP A 107 -10.713 -9.526 5.095 1.00 0.00 O ATOM 1746 CB ASP A 107 -11.718 -6.808 5.151 1.00 0.00 C ATOM 1747 CG ASP A 107 -12.957 -7.111 4.328 1.00 0.00 C ATOM 1748 OD1 ASP A 107 -14.062 -7.153 4.909 1.00 0.00 O ATOM 1749 OD2 ASP A 107 -12.841 -7.299 3.093 1.00 0.00 O ATOM 0 H ASP A 107 -9.712 -6.838 6.683 1.00 0.00 H new ATOM 0 HA ASP A 107 -12.491 -7.568 6.993 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -11.742 -5.765 5.467 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -10.833 -6.932 4.527 1.00 0.00 H new ATOM 1754 N ALA A 108 -12.299 -10.004 6.612 1.00 0.00 N ATOM 1755 CA ALA A 108 -12.264 -11.433 6.362 1.00 0.00 C ATOM 1756 C ALA A 108 -13.066 -11.792 5.119 1.00 0.00 C ATOM 1757 O ALA A 108 -14.137 -11.232 4.875 1.00 0.00 O ATOM 1758 CB ALA A 108 -12.790 -12.192 7.572 1.00 0.00 C ATOM 0 H ALA A 108 -12.979 -9.716 7.316 1.00 0.00 H new ATOM 0 HA ALA A 108 -11.228 -11.722 6.188 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -12.759 -13.263 7.372 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -12.171 -11.967 8.440 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -13.818 -11.890 7.772 1.00 0.00 H new ATOM 1764 N SER A 109 -12.542 -12.730 4.345 1.00 0.00 N ATOM 1765 CA SER A 109 -13.210 -13.201 3.142 1.00 0.00 C ATOM 1766 C SER A 109 -14.379 -14.118 3.496 1.00 0.00 C ATOM 1767 O SER A 109 -15.262 -14.373 2.676 1.00 0.00 O ATOM 1768 CB SER A 109 -12.201 -13.934 2.260 1.00 0.00 C ATOM 1769 OG SER A 109 -11.415 -14.829 3.033 1.00 0.00 O ATOM 0 H SER A 109 -11.648 -13.184 4.531 1.00 0.00 H new ATOM 0 HA SER A 109 -13.611 -12.346 2.598 1.00 0.00 H new ATOM 0 HB2 SER A 109 -12.726 -14.485 1.479 1.00 0.00 H new ATOM 0 HB3 SER A 109 -11.554 -13.212 1.761 1.00 0.00 H new ATOM 0 HG SER A 109 -10.776 -15.290 2.450 1.00 0.00 H new ATOM 1775 N LEU A 110 -14.380 -14.603 4.729 1.00 0.00 N ATOM 1776 CA LEU A 110 -15.440 -15.477 5.203 1.00 0.00 C ATOM 1777 C LEU A 110 -16.523 -14.662 5.898 1.00 0.00 C ATOM 1778 O LEU A 110 -16.287 -14.080 6.960 1.00 0.00 O ATOM 1779 CB LEU A 110 -14.880 -16.527 6.169 1.00 0.00 C ATOM 1780 CG LEU A 110 -13.758 -17.407 5.610 1.00 0.00 C ATOM 1781 CD1 LEU A 110 -13.230 -18.344 6.684 1.00 0.00 C ATOM 1782 CD2 LEU A 110 -14.243 -18.202 4.408 1.00 0.00 C ATOM 0 H LEU A 110 -13.656 -14.405 5.420 1.00 0.00 H new ATOM 0 HA LEU A 110 -15.874 -15.987 4.343 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -14.509 -16.016 7.057 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -15.698 -17.172 6.490 1.00 0.00 H new ATOM 0 HG LEU A 110 -12.946 -16.756 5.286 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -12.434 -18.961 6.269 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -12.839 -17.759 7.517 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -14.038 -18.984 7.038 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -13.429 -18.820 4.028 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -15.075 -18.841 4.706 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -14.573 -17.516 3.628 1.00 0.00 H new ATOM 1794 N GLU A 111 -17.700 -14.604 5.292 1.00 0.00 N ATOM 1795 CA GLU A 111 -18.832 -13.910 5.893 1.00 0.00 C ATOM 1796 C GLU A 111 -19.528 -14.830 6.892 1.00 0.00 C ATOM 1797 O GLU A 111 -19.905 -14.415 7.990 1.00 0.00 O ATOM 1798 CB GLU A 111 -19.818 -13.411 4.813 1.00 0.00 C ATOM 1799 CG GLU A 111 -20.599 -14.503 4.080 1.00 0.00 C ATOM 1800 CD GLU A 111 -19.718 -15.464 3.307 1.00 0.00 C ATOM 1801 OE1 GLU A 111 -19.418 -15.188 2.136 1.00 0.00 O ATOM 1802 OE2 GLU A 111 -19.320 -16.501 3.879 1.00 0.00 O ATOM 0 H GLU A 111 -17.897 -15.028 4.386 1.00 0.00 H new ATOM 0 HA GLU A 111 -18.463 -13.032 6.423 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -20.530 -12.732 5.282 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -19.261 -12.831 4.077 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -21.188 -15.066 4.805 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -21.303 -14.035 3.392 1.00 0.00 H new ATOM 1809 N HIS A 112 -19.673 -16.089 6.506 1.00 0.00 N ATOM 1810 CA HIS A 112 -20.234 -17.100 7.378 1.00 0.00 C ATOM 1811 C HIS A 112 -19.139 -17.725 8.221 1.00 0.00 C ATOM 1812 O HIS A 112 -18.036 -17.981 7.737 1.00 0.00 O ATOM 1813 CB HIS A 112 -20.934 -18.197 6.573 1.00 0.00 C ATOM 1814 CG HIS A 112 -22.181 -17.751 5.880 1.00 0.00 C ATOM 1815 ND1 HIS A 112 -22.306 -17.707 4.510 1.00 0.00 N ATOM 1816 CD2 HIS A 112 -23.372 -17.352 6.377 1.00 0.00 C ATOM 1817 CE1 HIS A 112 -23.520 -17.299 4.194 1.00 0.00 C ATOM 1818 NE2 HIS A 112 -24.186 -17.078 5.308 1.00 0.00 N ATOM 0 H HIS A 112 -19.406 -16.433 5.584 1.00 0.00 H new ATOM 0 HA HIS A 112 -20.968 -16.615 8.022 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -20.238 -18.586 5.829 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -21.179 -19.022 7.242 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -23.634 -17.265 7.421 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -23.902 -17.169 3.192 1.00 0.00 H new ATOM 0 HE2 HIS A 112 -25.152 -16.755 5.366 1.00 0.00 H new ATOM 1827 N HIS A 113 -19.445 -17.953 9.481 1.00 0.00 N ATOM 1828 CA HIS A 113 -18.532 -18.622 10.387 1.00 0.00 C ATOM 1829 C HIS A 113 -19.257 -19.779 11.057 1.00 0.00 C ATOM 1830 O HIS A 113 -20.418 -20.045 10.749 1.00 0.00 O ATOM 1831 CB HIS A 113 -17.990 -17.640 11.432 1.00 0.00 C ATOM 1832 CG HIS A 113 -17.076 -16.598 10.861 1.00 0.00 C ATOM 1833 ND1 HIS A 113 -17.268 -15.241 11.026 1.00 0.00 N ATOM 1834 CD2 HIS A 113 -15.947 -16.726 10.127 1.00 0.00 C ATOM 1835 CE1 HIS A 113 -16.299 -14.586 10.417 1.00 0.00 C ATOM 1836 NE2 HIS A 113 -15.485 -15.463 9.863 1.00 0.00 N ATOM 0 H HIS A 113 -20.331 -17.681 9.906 1.00 0.00 H new ATOM 0 HA HIS A 113 -17.681 -19.008 9.825 1.00 0.00 H new ATOM 0 HB2 HIS A 113 -18.828 -17.146 11.923 1.00 0.00 H new ATOM 0 HB3 HIS A 113 -17.455 -18.199 12.200 1.00 0.00 H new ATOM 0 HD2 HIS A 113 -15.493 -17.653 9.808 1.00 0.00 H new ATOM 0 HE1 HIS A 113 -16.190 -13.512 10.378 1.00 0.00 H new ATOM 0 HE2 HIS A 113 -14.648 -15.238 9.325 1.00 0.00 H new ATOM 1845 N HIS A 114 -18.593 -20.463 11.973 1.00 0.00 N ATOM 1846 CA HIS A 114 -19.201 -21.610 12.636 1.00 0.00 C ATOM 1847 C HIS A 114 -20.008 -21.170 13.846 1.00 0.00 C ATOM 1848 O HIS A 114 -21.029 -21.770 14.175 1.00 0.00 O ATOM 1849 CB HIS A 114 -18.139 -22.640 13.026 1.00 0.00 C ATOM 1850 CG HIS A 114 -17.628 -23.417 11.854 1.00 0.00 C ATOM 1851 ND1 HIS A 114 -16.308 -23.419 11.459 1.00 0.00 N ATOM 1852 CD2 HIS A 114 -18.280 -24.215 10.976 1.00 0.00 C ATOM 1853 CE1 HIS A 114 -16.172 -24.179 10.388 1.00 0.00 C ATOM 1854 NE2 HIS A 114 -17.354 -24.673 10.076 1.00 0.00 N ATOM 0 H HIS A 114 -17.642 -20.249 12.274 1.00 0.00 H new ATOM 0 HA HIS A 114 -19.885 -22.085 11.933 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -17.306 -22.131 13.510 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -18.559 -23.330 13.758 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -19.335 -24.448 10.984 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -15.250 -24.364 9.858 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -17.548 -25.295 9.292 1.00 0.00 H new ATOM 1863 N HIS A 115 -19.557 -20.112 14.497 1.00 0.00 N ATOM 1864 CA HIS A 115 -20.274 -19.560 15.636 1.00 0.00 C ATOM 1865 C HIS A 115 -21.304 -18.534 15.165 1.00 0.00 C ATOM 1866 O HIS A 115 -22.247 -18.205 15.883 1.00 0.00 O ATOM 1867 CB HIS A 115 -19.294 -18.922 16.624 1.00 0.00 C ATOM 1868 CG HIS A 115 -19.939 -18.484 17.904 1.00 0.00 C ATOM 1869 ND1 HIS A 115 -20.246 -19.356 18.925 1.00 0.00 N ATOM 1870 CD2 HIS A 115 -20.348 -17.262 18.320 1.00 0.00 C ATOM 1871 CE1 HIS A 115 -20.818 -18.692 19.911 1.00 0.00 C ATOM 1872 NE2 HIS A 115 -20.892 -17.421 19.570 1.00 0.00 N ATOM 0 H HIS A 115 -18.698 -19.617 14.257 1.00 0.00 H new ATOM 0 HA HIS A 115 -20.798 -20.369 16.145 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -18.502 -19.636 16.851 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -18.822 -18.061 16.151 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -20.262 -16.336 17.771 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -21.167 -19.118 20.840 1.00 0.00 H new ATOM 0 HE2 HIS A 115 -21.289 -16.676 20.142 1.00 0.00 H new ATOM 1881 N HIS A 116 -21.114 -18.038 13.952 1.00 0.00 N ATOM 1882 CA HIS A 116 -22.028 -17.069 13.360 1.00 0.00 C ATOM 1883 C HIS A 116 -22.319 -17.438 11.915 1.00 0.00 C ATOM 1884 O HIS A 116 -21.482 -17.237 11.040 1.00 0.00 O ATOM 1885 CB HIS A 116 -21.440 -15.651 13.435 1.00 0.00 C ATOM 1886 CG HIS A 116 -22.203 -14.623 12.641 1.00 0.00 C ATOM 1887 ND1 HIS A 116 -23.338 -13.997 13.105 1.00 0.00 N ATOM 1888 CD2 HIS A 116 -21.983 -14.122 11.400 1.00 0.00 C ATOM 1889 CE1 HIS A 116 -23.784 -13.158 12.185 1.00 0.00 C ATOM 1890 NE2 HIS A 116 -22.979 -13.217 11.144 1.00 0.00 N ATOM 0 H HIS A 116 -20.329 -18.292 13.353 1.00 0.00 H new ATOM 0 HA HIS A 116 -22.960 -17.086 13.925 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -21.409 -15.338 14.479 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -20.410 -15.678 13.079 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -21.173 -14.387 10.737 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -24.659 -12.531 12.272 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -23.081 -12.676 10.285 1.00 0.00 H new ATOM 1899 N HIS A 117 -23.493 -17.988 11.676 1.00 0.00 N ATOM 1900 CA HIS A 117 -23.900 -18.342 10.327 1.00 0.00 C ATOM 1901 C HIS A 117 -24.636 -17.169 9.696 1.00 0.00 C ATOM 1902 O HIS A 117 -25.878 -17.125 9.797 1.00 0.00 O ATOM 1903 CB HIS A 117 -24.798 -19.582 10.336 1.00 0.00 C ATOM 1904 CG HIS A 117 -24.164 -20.790 10.957 1.00 0.00 C ATOM 1905 ND1 HIS A 117 -24.270 -21.081 12.299 1.00 0.00 N ATOM 1906 CD2 HIS A 117 -23.425 -21.789 10.415 1.00 0.00 C ATOM 1907 CE1 HIS A 117 -23.628 -22.205 12.557 1.00 0.00 C ATOM 1908 NE2 HIS A 117 -23.108 -22.654 11.433 1.00 0.00 N ATOM 1909 OXT HIS A 117 -23.966 -16.282 9.133 1.00 0.00 O ATOM 0 H HIS A 117 -24.183 -18.200 12.397 1.00 0.00 H new ATOM 0 HA HIS A 117 -23.010 -18.572 9.741 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -25.716 -19.349 10.875 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -25.082 -19.820 9.311 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -23.139 -21.886 9.378 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -23.543 -22.676 13.525 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -22.558 -23.507 11.335 1.00 0.00 H new TER 1918 HIS A 117