USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 843 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl -115:sc= -2.34 (180deg=-4.43!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 122:sc= 0.839 USER MOD Single : A 7 LYS NZ :NH3+ -146:sc= 1.02 (180deg=0.641) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= -0.0775 USER MOD Single : A 28 MET CE :methyl -137:sc= -0.134 (180deg=-1.35) USER MOD Single : A 37 LYS NZ :NH3+ -158:sc= 1.66 (180deg=1.46) USER MOD Single : A 39 LYS NZ :NH3+ -177:sc= -0.222 (180deg=-0.249) USER MOD Single : A 53 ASN : amide:sc= -0.582 K(o=-0.58,f=-5.5!) USER MOD Single : A 54 CYS SG : rot -76:sc= -0.035 USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0.014) USER MOD Single : A 57 MET CE :methyl -162:sc= -1.32 (180deg=-1.76) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 MET CE :methyl -158:sc= -0.161 (180deg=-0.835) USER MOD Single : A 64 ASN : amide:sc= -0.189 X(o=-0.19,f=-0.43) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 HIS : no HD1:sc= 0.197 K(o=0.2,f=-1.4) USER MOD Single : A 82 HIS : no HD1:sc=-0.00494 X(o=-0.0049,f=0) USER MOD Single : A 91 HIS : no HD1:sc= -0.631 K(o=-0.63,f=0.034) USER MOD Single : A 95 LYS NZ :NH3+ -163:sc= -0.0556 (180deg=-0.32) USER MOD Single : A 100 HIS : no HD1:sc= -1.9! K(o=-1.9!,f=-0.61) USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 102 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 103 HIS : no HD1:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 104 HIS : no HD1:sc= 0.525 K(o=0.52,f=-4.1!) USER MOD Single : A 105 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.194 -10.362 -4.630 1.00 0.00 N ATOM 2 CA MET A 1 -5.072 -9.153 -5.469 1.00 0.00 C ATOM 3 C MET A 1 -4.111 -8.168 -4.823 1.00 0.00 C ATOM 4 O MET A 1 -4.158 -7.938 -3.613 1.00 0.00 O ATOM 5 CB MET A 1 -6.442 -8.501 -5.666 1.00 0.00 C ATOM 6 CG MET A 1 -6.422 -7.321 -6.625 1.00 0.00 C ATOM 7 SD MET A 1 -8.056 -6.604 -6.875 1.00 0.00 S ATOM 8 CE MET A 1 -8.437 -6.078 -5.208 1.00 0.00 C ATOM 0 H1 MET A 1 -5.853 -11.031 -5.078 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.261 -10.810 -4.529 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.555 -10.098 -3.691 1.00 0.00 H new ATOM 0 HA MET A 1 -4.681 -9.441 -6.445 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.141 -9.250 -6.039 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.818 -8.167 -4.699 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.748 -6.556 -6.240 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.020 -7.645 -7.585 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.288 -6.647 -4.832 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.573 -6.250 -4.566 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.683 -5.016 -5.209 1.00 0.00 H new ATOM 20 N LYS A 2 -3.238 -7.598 -5.635 1.00 0.00 N ATOM 21 CA LYS A 2 -2.170 -6.744 -5.142 1.00 0.00 C ATOM 22 C LYS A 2 -2.655 -5.329 -4.884 1.00 0.00 C ATOM 23 O LYS A 2 -3.668 -4.892 -5.432 1.00 0.00 O ATOM 24 CB LYS A 2 -1.016 -6.694 -6.143 1.00 0.00 C ATOM 25 CG LYS A 2 -0.128 -7.933 -6.162 1.00 0.00 C ATOM 26 CD LYS A 2 -0.893 -9.185 -6.553 1.00 0.00 C ATOM 27 CE LYS A 2 0.040 -10.367 -6.754 1.00 0.00 C ATOM 28 NZ LYS A 2 -0.686 -11.566 -7.250 1.00 0.00 N ATOM 0 H LYS A 2 -3.248 -7.712 -6.649 1.00 0.00 H new ATOM 0 HA LYS A 2 -1.828 -7.175 -4.201 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -1.427 -6.544 -7.141 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -0.397 -5.825 -5.919 1.00 0.00 H new ATOM 0 HG2 LYS A 2 0.693 -7.778 -6.862 1.00 0.00 H new ATOM 0 HG3 LYS A 2 0.316 -8.074 -5.177 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -1.623 -9.423 -5.779 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -1.451 -9.000 -7.471 1.00 0.00 H new ATOM 0 HE2 LYS A 2 0.822 -10.096 -7.464 1.00 0.00 H new ATOM 0 HE3 LYS A 2 0.533 -10.605 -5.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -0.015 -12.351 -7.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -1.415 -11.840 -6.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -1.136 -11.347 -8.162 1.00 0.00 H new ATOM 42 N LEU A 3 -1.911 -4.623 -4.050 1.00 0.00 N ATOM 43 CA LEU A 3 -2.133 -3.207 -3.818 1.00 0.00 C ATOM 44 C LEU A 3 -1.838 -2.424 -5.097 1.00 0.00 C ATOM 45 O LEU A 3 -2.427 -1.377 -5.358 1.00 0.00 O ATOM 46 CB LEU A 3 -1.241 -2.740 -2.663 1.00 0.00 C ATOM 47 CG LEU A 3 -1.334 -1.261 -2.293 1.00 0.00 C ATOM 48 CD1 LEU A 3 -2.769 -0.867 -1.985 1.00 0.00 C ATOM 49 CD2 LEU A 3 -0.443 -0.966 -1.105 1.00 0.00 C ATOM 0 H LEU A 3 -1.136 -5.016 -3.515 1.00 0.00 H new ATOM 0 HA LEU A 3 -3.173 -3.030 -3.546 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -1.487 -3.330 -1.780 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -0.205 -2.965 -2.918 1.00 0.00 H new ATOM 0 HG LEU A 3 -0.996 -0.672 -3.146 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -2.808 0.191 -1.724 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -3.392 -1.048 -2.861 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -3.138 -1.461 -1.148 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -0.516 0.091 -0.849 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -0.760 -1.568 -0.254 1.00 0.00 H new ATOM 0 HD23 LEU A 3 0.590 -1.208 -1.356 1.00 0.00 H new ATOM 61 N SER A 4 -0.934 -2.967 -5.899 1.00 0.00 N ATOM 62 CA SER A 4 -0.567 -2.376 -7.179 1.00 0.00 C ATOM 63 C SER A 4 -1.650 -2.600 -8.235 1.00 0.00 C ATOM 64 O SER A 4 -1.712 -1.883 -9.235 1.00 0.00 O ATOM 65 CB SER A 4 0.746 -2.991 -7.643 1.00 0.00 C ATOM 66 OG SER A 4 0.786 -4.362 -7.297 1.00 0.00 O ATOM 0 H SER A 4 -0.434 -3.829 -5.682 1.00 0.00 H new ATOM 0 HA SER A 4 -0.457 -1.300 -7.048 1.00 0.00 H new ATOM 0 HB2 SER A 4 0.850 -2.876 -8.722 1.00 0.00 H new ATOM 0 HB3 SER A 4 1.585 -2.467 -7.185 1.00 0.00 H new ATOM 0 HG SER A 4 0.903 -4.901 -8.107 1.00 0.00 H new ATOM 72 N GLU A 5 -2.497 -3.598 -8.009 1.00 0.00 N ATOM 73 CA GLU A 5 -3.546 -3.944 -8.962 1.00 0.00 C ATOM 74 C GLU A 5 -4.798 -3.121 -8.714 1.00 0.00 C ATOM 75 O GLU A 5 -5.785 -3.236 -9.446 1.00 0.00 O ATOM 76 CB GLU A 5 -3.882 -5.432 -8.883 1.00 0.00 C ATOM 77 CG GLU A 5 -2.700 -6.334 -9.179 1.00 0.00 C ATOM 78 CD GLU A 5 -3.079 -7.797 -9.196 1.00 0.00 C ATOM 79 OE1 GLU A 5 -3.595 -8.294 -8.178 1.00 0.00 O ATOM 80 OE2 GLU A 5 -2.868 -8.456 -10.234 1.00 0.00 O ATOM 0 H GLU A 5 -2.478 -4.182 -7.173 1.00 0.00 H new ATOM 0 HA GLU A 5 -3.172 -3.720 -9.961 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -4.262 -5.659 -7.887 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -4.684 -5.654 -9.587 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -2.272 -6.062 -10.144 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -1.926 -6.171 -8.429 1.00 0.00 H new ATOM 87 N LEU A 6 -4.758 -2.297 -7.679 1.00 0.00 N ATOM 88 CA LEU A 6 -5.891 -1.443 -7.344 1.00 0.00 C ATOM 89 C LEU A 6 -6.061 -0.313 -8.350 1.00 0.00 C ATOM 90 O LEU A 6 -5.255 -0.156 -9.272 1.00 0.00 O ATOM 91 CB LEU A 6 -5.739 -0.860 -5.942 1.00 0.00 C ATOM 92 CG LEU A 6 -5.826 -1.880 -4.812 1.00 0.00 C ATOM 93 CD1 LEU A 6 -5.902 -1.184 -3.466 1.00 0.00 C ATOM 94 CD2 LEU A 6 -7.029 -2.782 -5.011 1.00 0.00 C ATOM 0 H LEU A 6 -3.956 -2.200 -7.056 1.00 0.00 H new ATOM 0 HA LEU A 6 -6.782 -2.070 -7.377 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.778 -0.349 -5.878 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -6.511 -0.106 -5.792 1.00 0.00 H new ATOM 0 HG LEU A 6 -4.924 -2.492 -4.829 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.963 -1.930 -2.674 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -5.011 -0.573 -3.321 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -6.787 -0.548 -3.435 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -7.080 -3.506 -4.198 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -7.938 -2.180 -5.018 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -6.935 -3.309 -5.960 1.00 0.00 H new ATOM 106 N LYS A 7 -7.120 0.464 -8.168 1.00 0.00 N ATOM 107 CA LYS A 7 -7.409 1.585 -9.052 1.00 0.00 C ATOM 108 C LYS A 7 -7.453 2.888 -8.264 1.00 0.00 C ATOM 109 O LYS A 7 -7.601 2.879 -7.040 1.00 0.00 O ATOM 110 CB LYS A 7 -8.743 1.370 -9.771 1.00 0.00 C ATOM 111 CG LYS A 7 -8.917 -0.038 -10.308 1.00 0.00 C ATOM 112 CD LYS A 7 -10.148 -0.161 -11.195 1.00 0.00 C ATOM 113 CE LYS A 7 -11.438 -0.084 -10.391 1.00 0.00 C ATOM 114 NZ LYS A 7 -11.500 -1.142 -9.348 1.00 0.00 N ATOM 0 H LYS A 7 -7.795 0.338 -7.414 1.00 0.00 H new ATOM 0 HA LYS A 7 -6.613 1.647 -9.794 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -9.558 1.592 -9.083 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -8.821 2.078 -10.596 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -8.031 -0.322 -10.876 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -8.999 -0.736 -9.475 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -10.138 0.633 -11.942 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -10.113 -1.107 -11.735 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -11.515 0.896 -9.920 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -12.291 -0.184 -11.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -12.485 -1.452 -9.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -10.915 -1.951 -9.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -11.143 -0.763 -8.448 1.00 0.00 H new ATOM 128 N ALA A 8 -7.330 4.005 -8.966 1.00 0.00 N ATOM 129 CA ALA A 8 -7.341 5.313 -8.328 1.00 0.00 C ATOM 130 C ALA A 8 -8.726 5.627 -7.780 1.00 0.00 C ATOM 131 O ALA A 8 -9.667 5.864 -8.539 1.00 0.00 O ATOM 132 CB ALA A 8 -6.889 6.389 -9.306 1.00 0.00 C ATOM 0 H ALA A 8 -7.221 4.031 -9.980 1.00 0.00 H new ATOM 0 HA ALA A 8 -6.640 5.297 -7.494 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -6.904 7.360 -8.811 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -5.877 6.170 -9.645 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -7.563 6.408 -10.163 1.00 0.00 H new ATOM 138 N GLY A 9 -8.846 5.604 -6.460 1.00 0.00 N ATOM 139 CA GLY A 9 -10.123 5.858 -5.828 1.00 0.00 C ATOM 140 C GLY A 9 -10.669 4.627 -5.137 1.00 0.00 C ATOM 141 O GLY A 9 -11.719 4.683 -4.495 1.00 0.00 O ATOM 0 H GLY A 9 -8.079 5.413 -5.815 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -10.014 6.663 -5.101 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -10.837 6.200 -6.578 1.00 0.00 H new ATOM 145 N ASP A 10 -9.959 3.515 -5.265 1.00 0.00 N ATOM 146 CA ASP A 10 -10.383 2.260 -4.656 1.00 0.00 C ATOM 147 C ASP A 10 -10.016 2.216 -3.177 1.00 0.00 C ATOM 148 O ASP A 10 -8.929 2.650 -2.782 1.00 0.00 O ATOM 149 CB ASP A 10 -9.762 1.067 -5.392 1.00 0.00 C ATOM 150 CG ASP A 10 -10.507 0.701 -6.659 1.00 0.00 C ATOM 151 OD1 ASP A 10 -11.515 1.367 -6.986 1.00 0.00 O ATOM 152 OD2 ASP A 10 -10.095 -0.268 -7.326 1.00 0.00 O ATOM 0 H ASP A 10 -9.084 3.455 -5.786 1.00 0.00 H new ATOM 0 HA ASP A 10 -11.468 2.198 -4.740 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -8.726 1.299 -5.640 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -9.744 0.205 -4.725 1.00 0.00 H new ATOM 157 N ARG A 11 -10.940 1.719 -2.361 1.00 0.00 N ATOM 158 CA ARG A 11 -10.691 1.522 -0.937 1.00 0.00 C ATOM 159 C ARG A 11 -10.387 0.056 -0.670 1.00 0.00 C ATOM 160 O ARG A 11 -11.125 -0.824 -1.117 1.00 0.00 O ATOM 161 CB ARG A 11 -11.902 1.930 -0.093 1.00 0.00 C ATOM 162 CG ARG A 11 -12.264 3.407 -0.144 1.00 0.00 C ATOM 163 CD ARG A 11 -13.390 3.700 0.835 1.00 0.00 C ATOM 164 NE ARG A 11 -13.855 5.087 0.788 1.00 0.00 N ATOM 165 CZ ARG A 11 -14.405 5.710 1.832 1.00 0.00 C ATOM 166 NH1 ARG A 11 -14.405 5.127 3.027 1.00 0.00 N ATOM 167 NH2 ARG A 11 -14.926 6.923 1.693 1.00 0.00 N ATOM 0 H ARG A 11 -11.874 1.444 -2.664 1.00 0.00 H new ATOM 0 HA ARG A 11 -9.843 2.148 -0.659 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -12.765 1.350 -0.421 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -11.710 1.656 0.944 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -11.391 4.013 0.101 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -12.569 3.681 -1.154 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -14.228 3.036 0.623 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -13.051 3.472 1.846 1.00 0.00 H new ATOM 0 HE ARG A 11 -13.754 5.603 -0.086 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -13.985 4.205 3.145 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -14.825 5.602 3.826 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -14.908 7.385 0.784 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -15.345 7.393 2.495 1.00 0.00 H new ATOM 181 N ALA A 12 -9.327 -0.214 0.069 1.00 0.00 N ATOM 182 CA ALA A 12 -8.937 -1.588 0.339 1.00 0.00 C ATOM 183 C ALA A 12 -8.446 -1.758 1.767 1.00 0.00 C ATOM 184 O ALA A 12 -8.069 -0.793 2.430 1.00 0.00 O ATOM 185 CB ALA A 12 -7.862 -2.031 -0.639 1.00 0.00 C ATOM 0 H ALA A 12 -8.724 0.492 0.491 1.00 0.00 H new ATOM 0 HA ALA A 12 -9.819 -2.215 0.211 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -7.579 -3.062 -0.426 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -8.246 -1.963 -1.657 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -6.989 -1.386 -0.537 1.00 0.00 H new ATOM 191 N GLU A 13 -8.476 -2.994 2.231 1.00 0.00 N ATOM 192 CA GLU A 13 -7.917 -3.356 3.518 1.00 0.00 C ATOM 193 C GLU A 13 -6.775 -4.337 3.294 1.00 0.00 C ATOM 194 O GLU A 13 -6.938 -5.336 2.588 1.00 0.00 O ATOM 195 CB GLU A 13 -8.996 -3.981 4.405 1.00 0.00 C ATOM 196 CG GLU A 13 -8.537 -4.269 5.824 1.00 0.00 C ATOM 197 CD GLU A 13 -9.619 -4.918 6.661 1.00 0.00 C ATOM 198 OE1 GLU A 13 -9.740 -6.160 6.616 1.00 0.00 O ATOM 199 OE2 GLU A 13 -10.345 -4.193 7.378 1.00 0.00 O ATOM 0 H GLU A 13 -8.890 -3.776 1.724 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.540 -2.467 4.023 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -9.856 -3.312 4.441 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -9.335 -4.911 3.948 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.664 -4.921 5.795 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -8.224 -3.338 6.298 1.00 0.00 H new ATOM 206 N VAL A 14 -5.620 -4.040 3.868 1.00 0.00 N ATOM 207 CA VAL A 14 -4.438 -4.870 3.680 1.00 0.00 C ATOM 208 C VAL A 14 -4.588 -6.204 4.402 1.00 0.00 C ATOM 209 O VAL A 14 -4.826 -6.244 5.611 1.00 0.00 O ATOM 210 CB VAL A 14 -3.163 -4.164 4.186 1.00 0.00 C ATOM 211 CG1 VAL A 14 -1.940 -5.037 3.950 1.00 0.00 C ATOM 212 CG2 VAL A 14 -2.992 -2.808 3.517 1.00 0.00 C ATOM 0 H VAL A 14 -5.474 -3.229 4.469 1.00 0.00 H new ATOM 0 HA VAL A 14 -4.342 -5.045 2.608 1.00 0.00 H new ATOM 0 HB VAL A 14 -3.268 -4.001 5.259 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.050 -4.523 4.313 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.057 -5.980 4.484 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.835 -5.235 2.883 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.086 -2.330 3.890 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.914 -2.942 2.438 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.853 -2.180 3.743 1.00 0.00 H new ATOM 222 N THR A 15 -4.453 -7.291 3.656 1.00 0.00 N ATOM 223 CA THR A 15 -4.568 -8.620 4.225 1.00 0.00 C ATOM 224 C THR A 15 -3.198 -9.269 4.402 1.00 0.00 C ATOM 225 O THR A 15 -3.005 -10.098 5.293 1.00 0.00 O ATOM 226 CB THR A 15 -5.463 -9.518 3.352 1.00 0.00 C ATOM 227 OG1 THR A 15 -5.103 -9.378 1.971 1.00 0.00 O ATOM 228 CG2 THR A 15 -6.932 -9.163 3.534 1.00 0.00 C ATOM 0 H THR A 15 -4.263 -7.275 2.654 1.00 0.00 H new ATOM 0 HA THR A 15 -5.028 -8.513 5.207 1.00 0.00 H new ATOM 0 HB THR A 15 -5.313 -10.551 3.664 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.676 -9.954 1.423 1.00 0.00 H new ATOM 0 HG21 THR A 15 -7.543 -9.812 2.907 1.00 0.00 H new ATOM 0 HG22 THR A 15 -7.212 -9.299 4.578 1.00 0.00 H new ATOM 0 HG23 THR A 15 -7.093 -8.124 3.247 1.00 0.00 H new ATOM 236 N SER A 16 -2.242 -8.887 3.563 1.00 0.00 N ATOM 237 CA SER A 16 -0.895 -9.444 3.638 1.00 0.00 C ATOM 238 C SER A 16 0.131 -8.476 3.058 1.00 0.00 C ATOM 239 O SER A 16 -0.150 -7.771 2.093 1.00 0.00 O ATOM 240 CB SER A 16 -0.830 -10.782 2.889 1.00 0.00 C ATOM 241 OG SER A 16 -1.717 -11.728 3.461 1.00 0.00 O ATOM 0 H SER A 16 -2.373 -8.196 2.825 1.00 0.00 H new ATOM 0 HA SER A 16 -0.658 -9.609 4.689 1.00 0.00 H new ATOM 0 HB2 SER A 16 -1.084 -10.628 1.840 1.00 0.00 H new ATOM 0 HB3 SER A 16 0.188 -11.170 2.917 1.00 0.00 H new ATOM 0 HG SER A 16 -1.659 -12.572 2.966 1.00 0.00 H new ATOM 247 N VAL A 17 1.316 -8.446 3.655 1.00 0.00 N ATOM 248 CA VAL A 17 2.374 -7.536 3.221 1.00 0.00 C ATOM 249 C VAL A 17 3.674 -8.299 2.991 1.00 0.00 C ATOM 250 O VAL A 17 4.111 -9.065 3.850 1.00 0.00 O ATOM 251 CB VAL A 17 2.642 -6.429 4.269 1.00 0.00 C ATOM 252 CG1 VAL A 17 3.611 -5.389 3.729 1.00 0.00 C ATOM 253 CG2 VAL A 17 1.347 -5.773 4.721 1.00 0.00 C ATOM 0 H VAL A 17 1.571 -9.042 4.443 1.00 0.00 H new ATOM 0 HA VAL A 17 2.034 -7.076 2.293 1.00 0.00 H new ATOM 0 HB VAL A 17 3.100 -6.902 5.138 1.00 0.00 H new ATOM 0 HG11 VAL A 17 3.782 -4.623 4.486 1.00 0.00 H new ATOM 0 HG12 VAL A 17 4.557 -5.869 3.478 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.190 -4.929 2.835 1.00 0.00 H new ATOM 0 HG21 VAL A 17 1.568 -5.000 5.457 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.847 -5.324 3.862 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.696 -6.524 5.168 1.00 0.00 H new ATOM 263 N ALA A 18 4.280 -8.104 1.830 1.00 0.00 N ATOM 264 CA ALA A 18 5.583 -8.682 1.539 1.00 0.00 C ATOM 265 C ALA A 18 6.500 -7.643 0.905 1.00 0.00 C ATOM 266 O ALA A 18 6.200 -7.106 -0.163 1.00 0.00 O ATOM 267 CB ALA A 18 5.443 -9.895 0.634 1.00 0.00 C ATOM 0 H ALA A 18 3.888 -7.547 1.071 1.00 0.00 H new ATOM 0 HA ALA A 18 6.030 -9.007 2.478 1.00 0.00 H new ATOM 0 HB1 ALA A 18 6.429 -10.312 0.429 1.00 0.00 H new ATOM 0 HB2 ALA A 18 4.826 -10.647 1.126 1.00 0.00 H new ATOM 0 HB3 ALA A 18 4.973 -9.597 -0.303 1.00 0.00 H new ATOM 273 N ALA A 19 7.605 -7.353 1.572 1.00 0.00 N ATOM 274 CA ALA A 19 8.574 -6.378 1.087 1.00 0.00 C ATOM 275 C ALA A 19 9.924 -6.634 1.731 1.00 0.00 C ATOM 276 O ALA A 19 10.052 -7.541 2.556 1.00 0.00 O ATOM 277 CB ALA A 19 8.104 -4.961 1.387 1.00 0.00 C ATOM 0 H ALA A 19 7.857 -7.784 2.462 1.00 0.00 H new ATOM 0 HA ALA A 19 8.669 -6.483 0.006 1.00 0.00 H new ATOM 0 HB1 ALA A 19 8.840 -4.247 1.017 1.00 0.00 H new ATOM 0 HB2 ALA A 19 7.148 -4.783 0.895 1.00 0.00 H new ATOM 0 HB3 ALA A 19 7.987 -4.837 2.464 1.00 0.00 H new ATOM 283 N GLU A 20 10.929 -5.852 1.352 1.00 0.00 N ATOM 284 CA GLU A 20 12.248 -5.958 1.957 1.00 0.00 C ATOM 285 C GLU A 20 12.144 -5.696 3.456 1.00 0.00 C ATOM 286 O GLU A 20 11.329 -4.882 3.880 1.00 0.00 O ATOM 287 CB GLU A 20 13.227 -4.976 1.306 1.00 0.00 C ATOM 288 CG GLU A 20 13.452 -5.223 -0.177 1.00 0.00 C ATOM 289 CD GLU A 20 12.494 -4.460 -1.075 1.00 0.00 C ATOM 290 OE1 GLU A 20 11.353 -4.181 -0.652 1.00 0.00 O ATOM 291 OE2 GLU A 20 12.886 -4.133 -2.218 1.00 0.00 O ATOM 0 H GLU A 20 10.853 -5.138 0.628 1.00 0.00 H new ATOM 0 HA GLU A 20 12.630 -6.966 1.795 1.00 0.00 H new ATOM 0 HB2 GLU A 20 12.853 -3.961 1.443 1.00 0.00 H new ATOM 0 HB3 GLU A 20 14.184 -5.036 1.824 1.00 0.00 H new ATOM 0 HG2 GLU A 20 14.475 -4.944 -0.432 1.00 0.00 H new ATOM 0 HG3 GLU A 20 13.353 -6.290 -0.378 1.00 0.00 H new ATOM 298 N PRO A 21 12.964 -6.384 4.270 1.00 0.00 N ATOM 299 CA PRO A 21 12.875 -6.349 5.739 1.00 0.00 C ATOM 300 C PRO A 21 12.706 -4.941 6.319 1.00 0.00 C ATOM 301 O PRO A 21 11.780 -4.687 7.094 1.00 0.00 O ATOM 302 CB PRO A 21 14.206 -6.962 6.203 1.00 0.00 C ATOM 303 CG PRO A 21 15.026 -7.160 4.969 1.00 0.00 C ATOM 304 CD PRO A 21 14.056 -7.256 3.830 1.00 0.00 C ATOM 0 HA PRO A 21 11.991 -6.887 6.083 1.00 0.00 H new ATOM 0 HB2 PRO A 21 14.714 -6.302 6.906 1.00 0.00 H new ATOM 0 HB3 PRO A 21 14.040 -7.909 6.717 1.00 0.00 H new ATOM 0 HG2 PRO A 21 15.716 -6.329 4.823 1.00 0.00 H new ATOM 0 HG3 PRO A 21 15.629 -8.065 5.044 1.00 0.00 H new ATOM 0 HD2 PRO A 21 14.495 -6.915 2.893 1.00 0.00 H new ATOM 0 HD3 PRO A 21 13.718 -8.280 3.670 1.00 0.00 H new ATOM 312 N ALA A 22 13.582 -4.027 5.924 1.00 0.00 N ATOM 313 CA ALA A 22 13.563 -2.669 6.454 1.00 0.00 C ATOM 314 C ALA A 22 12.425 -1.860 5.847 1.00 0.00 C ATOM 315 O ALA A 22 11.873 -0.960 6.483 1.00 0.00 O ATOM 316 CB ALA A 22 14.889 -1.988 6.180 1.00 0.00 C ATOM 0 H ALA A 22 14.316 -4.201 5.237 1.00 0.00 H new ATOM 0 HA ALA A 22 13.403 -2.725 7.531 1.00 0.00 H new ATOM 0 HB1 ALA A 22 14.867 -0.974 6.579 1.00 0.00 H new ATOM 0 HB2 ALA A 22 15.692 -2.549 6.659 1.00 0.00 H new ATOM 0 HB3 ALA A 22 15.064 -1.951 5.105 1.00 0.00 H new ATOM 322 N VAL A 23 12.073 -2.193 4.619 1.00 0.00 N ATOM 323 CA VAL A 23 11.034 -1.483 3.903 1.00 0.00 C ATOM 324 C VAL A 23 9.663 -1.873 4.443 1.00 0.00 C ATOM 325 O VAL A 23 8.799 -1.022 4.654 1.00 0.00 O ATOM 326 CB VAL A 23 11.123 -1.777 2.393 1.00 0.00 C ATOM 327 CG1 VAL A 23 9.945 -1.167 1.648 1.00 0.00 C ATOM 328 CG2 VAL A 23 12.436 -1.255 1.831 1.00 0.00 C ATOM 0 H VAL A 23 12.497 -2.958 4.094 1.00 0.00 H new ATOM 0 HA VAL A 23 11.176 -0.413 4.053 1.00 0.00 H new ATOM 0 HB VAL A 23 11.087 -2.857 2.254 1.00 0.00 H new ATOM 0 HG11 VAL A 23 10.033 -1.389 0.585 1.00 0.00 H new ATOM 0 HG12 VAL A 23 9.015 -1.587 2.031 1.00 0.00 H new ATOM 0 HG13 VAL A 23 9.942 -0.087 1.794 1.00 0.00 H new ATOM 0 HG21 VAL A 23 12.486 -1.469 0.763 1.00 0.00 H new ATOM 0 HG22 VAL A 23 12.496 -0.178 1.988 1.00 0.00 H new ATOM 0 HG23 VAL A 23 13.268 -1.743 2.338 1.00 0.00 H new ATOM 338 N ARG A 24 9.485 -3.165 4.695 1.00 0.00 N ATOM 339 CA ARG A 24 8.255 -3.667 5.285 1.00 0.00 C ATOM 340 C ARG A 24 8.091 -3.092 6.687 1.00 0.00 C ATOM 341 O ARG A 24 6.987 -2.730 7.094 1.00 0.00 O ATOM 342 CB ARG A 24 8.259 -5.202 5.316 1.00 0.00 C ATOM 343 CG ARG A 24 6.952 -5.808 5.806 1.00 0.00 C ATOM 344 CD ARG A 24 6.990 -6.116 7.297 1.00 0.00 C ATOM 345 NE ARG A 24 7.724 -7.350 7.581 1.00 0.00 N ATOM 346 CZ ARG A 24 7.879 -7.866 8.800 1.00 0.00 C ATOM 347 NH1 ARG A 24 7.509 -7.179 9.874 1.00 0.00 N ATOM 348 NH2 ARG A 24 8.431 -9.064 8.941 1.00 0.00 N ATOM 0 H ARG A 24 10.181 -3.884 4.498 1.00 0.00 H new ATOM 0 HA ARG A 24 7.409 -3.351 4.675 1.00 0.00 H new ATOM 0 HB2 ARG A 24 8.469 -5.576 4.314 1.00 0.00 H new ATOM 0 HB3 ARG A 24 9.070 -5.541 5.960 1.00 0.00 H new ATOM 0 HG2 ARG A 24 6.133 -5.119 5.599 1.00 0.00 H new ATOM 0 HG3 ARG A 24 6.747 -6.724 5.252 1.00 0.00 H new ATOM 0 HD2 ARG A 24 7.457 -5.286 7.827 1.00 0.00 H new ATOM 0 HD3 ARG A 24 5.972 -6.204 7.676 1.00 0.00 H new ATOM 0 HE ARG A 24 8.144 -7.847 6.795 1.00 0.00 H new ATOM 0 HH11 ARG A 24 7.103 -6.249 9.770 1.00 0.00 H new ATOM 0 HH12 ARG A 24 7.631 -7.581 10.804 1.00 0.00 H new ATOM 0 HH21 ARG A 24 8.735 -9.586 8.119 1.00 0.00 H new ATOM 0 HH22 ARG A 24 8.552 -9.463 9.872 1.00 0.00 H new ATOM 362 N ARG A 25 9.205 -2.995 7.405 1.00 0.00 N ATOM 363 CA ARG A 25 9.228 -2.362 8.717 1.00 0.00 C ATOM 364 C ARG A 25 8.691 -0.942 8.625 1.00 0.00 C ATOM 365 O ARG A 25 7.848 -0.545 9.416 1.00 0.00 O ATOM 366 CB ARG A 25 10.654 -2.338 9.292 1.00 0.00 C ATOM 367 CG ARG A 25 10.832 -1.352 10.440 1.00 0.00 C ATOM 368 CD ARG A 25 9.955 -1.698 11.632 1.00 0.00 C ATOM 369 NE ARG A 25 9.706 -0.532 12.480 1.00 0.00 N ATOM 370 CZ ARG A 25 10.044 -0.451 13.767 1.00 0.00 C ATOM 371 NH1 ARG A 25 10.716 -1.437 14.351 1.00 0.00 N ATOM 372 NH2 ARG A 25 9.721 0.628 14.466 1.00 0.00 N ATOM 0 H ARG A 25 10.110 -3.350 7.096 1.00 0.00 H new ATOM 0 HA ARG A 25 8.594 -2.946 9.384 1.00 0.00 H new ATOM 0 HB2 ARG A 25 10.914 -3.338 9.639 1.00 0.00 H new ATOM 0 HB3 ARG A 25 11.354 -2.086 8.495 1.00 0.00 H new ATOM 0 HG2 ARG A 25 11.877 -1.342 10.750 1.00 0.00 H new ATOM 0 HG3 ARG A 25 10.593 -0.346 10.094 1.00 0.00 H new ATOM 0 HD2 ARG A 25 9.005 -2.101 11.280 1.00 0.00 H new ATOM 0 HD3 ARG A 25 10.434 -2.480 12.221 1.00 0.00 H new ATOM 0 HE ARG A 25 9.243 0.273 12.058 1.00 0.00 H new ATOM 0 HH11 ARG A 25 10.977 -2.264 13.814 1.00 0.00 H new ATOM 0 HH12 ARG A 25 10.971 -1.367 15.336 1.00 0.00 H new ATOM 0 HH21 ARG A 25 9.215 1.393 14.019 1.00 0.00 H new ATOM 0 HH22 ARG A 25 9.978 0.693 15.451 1.00 0.00 H new ATOM 386 N ARG A 26 9.180 -0.193 7.644 1.00 0.00 N ATOM 387 CA ARG A 26 8.782 1.193 7.457 1.00 0.00 C ATOM 388 C ARG A 26 7.281 1.290 7.193 1.00 0.00 C ATOM 389 O ARG A 26 6.593 2.143 7.755 1.00 0.00 O ATOM 390 CB ARG A 26 9.561 1.810 6.292 1.00 0.00 C ATOM 391 CG ARG A 26 9.318 3.294 6.128 1.00 0.00 C ATOM 392 CD ARG A 26 10.058 3.860 4.928 1.00 0.00 C ATOM 393 NE ARG A 26 9.911 5.309 4.845 1.00 0.00 N ATOM 394 CZ ARG A 26 9.898 5.997 3.707 1.00 0.00 C ATOM 395 NH1 ARG A 26 10.047 5.382 2.540 1.00 0.00 N ATOM 396 NH2 ARG A 26 9.743 7.314 3.729 1.00 0.00 N ATOM 0 H ARG A 26 9.859 -0.528 6.961 1.00 0.00 H new ATOM 0 HA ARG A 26 9.009 1.745 8.369 1.00 0.00 H new ATOM 0 HB2 ARG A 26 10.626 1.638 6.445 1.00 0.00 H new ATOM 0 HB3 ARG A 26 9.285 1.300 5.369 1.00 0.00 H new ATOM 0 HG2 ARG A 26 8.249 3.477 6.015 1.00 0.00 H new ATOM 0 HG3 ARG A 26 9.637 3.816 7.030 1.00 0.00 H new ATOM 0 HD2 ARG A 26 11.115 3.604 4.997 1.00 0.00 H new ATOM 0 HD3 ARG A 26 9.678 3.402 4.015 1.00 0.00 H new ATOM 0 HE ARG A 26 9.812 5.829 5.717 1.00 0.00 H new ATOM 0 HH11 ARG A 26 10.173 4.370 2.509 1.00 0.00 H new ATOM 0 HH12 ARG A 26 10.035 5.921 1.674 1.00 0.00 H new ATOM 0 HH21 ARG A 26 9.634 7.800 4.619 1.00 0.00 H new ATOM 0 HH22 ARG A 26 9.733 7.841 2.856 1.00 0.00 H new ATOM 410 N LEU A 27 6.783 0.402 6.345 1.00 0.00 N ATOM 411 CA LEU A 27 5.364 0.362 6.018 1.00 0.00 C ATOM 412 C LEU A 27 4.534 0.046 7.258 1.00 0.00 C ATOM 413 O LEU A 27 3.558 0.738 7.562 1.00 0.00 O ATOM 414 CB LEU A 27 5.096 -0.684 4.931 1.00 0.00 C ATOM 415 CG LEU A 27 5.819 -0.443 3.603 1.00 0.00 C ATOM 416 CD1 LEU A 27 5.541 -1.578 2.629 1.00 0.00 C ATOM 417 CD2 LEU A 27 5.406 0.891 2.996 1.00 0.00 C ATOM 0 H LEU A 27 7.344 -0.304 5.868 1.00 0.00 H new ATOM 0 HA LEU A 27 5.074 1.344 5.645 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.386 -1.663 5.312 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.023 -0.721 4.741 1.00 0.00 H new ATOM 0 HG LEU A 27 6.890 -0.411 3.801 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.063 -1.389 1.691 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.891 -2.518 3.056 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.469 -1.642 2.441 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.932 1.040 2.053 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.331 0.891 2.815 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.658 1.698 3.684 1.00 0.00 H new ATOM 429 N MET A 28 4.944 -0.987 7.983 1.00 0.00 N ATOM 430 CA MET A 28 4.231 -1.416 9.181 1.00 0.00 C ATOM 431 C MET A 28 4.388 -0.395 10.305 1.00 0.00 C ATOM 432 O MET A 28 3.509 -0.254 11.157 1.00 0.00 O ATOM 433 CB MET A 28 4.734 -2.788 9.637 1.00 0.00 C ATOM 434 CG MET A 28 4.386 -3.921 8.681 1.00 0.00 C ATOM 435 SD MET A 28 3.333 -5.182 9.436 1.00 0.00 S ATOM 436 CE MET A 28 4.338 -5.683 10.831 1.00 0.00 C ATOM 0 H MET A 28 5.769 -1.545 7.762 1.00 0.00 H new ATOM 0 HA MET A 28 3.172 -1.493 8.936 1.00 0.00 H new ATOM 0 HB2 MET A 28 5.817 -2.746 9.756 1.00 0.00 H new ATOM 0 HB3 MET A 28 4.313 -3.011 10.618 1.00 0.00 H new ATOM 0 HG2 MET A 28 3.881 -3.510 7.807 1.00 0.00 H new ATOM 0 HG3 MET A 28 5.306 -4.387 8.328 1.00 0.00 H new ATOM 0 HE1 MET A 28 4.318 -6.769 10.923 1.00 0.00 H new ATOM 0 HE2 MET A 28 5.365 -5.351 10.678 1.00 0.00 H new ATOM 0 HE3 MET A 28 3.944 -5.234 11.743 1.00 0.00 H new ATOM 446 N ASP A 29 5.511 0.313 10.299 1.00 0.00 N ATOM 447 CA ASP A 29 5.784 1.356 11.284 1.00 0.00 C ATOM 448 C ASP A 29 4.808 2.509 11.113 1.00 0.00 C ATOM 449 O ASP A 29 4.295 3.058 12.090 1.00 0.00 O ATOM 450 CB ASP A 29 7.222 1.856 11.129 1.00 0.00 C ATOM 451 CG ASP A 29 7.627 2.850 12.197 1.00 0.00 C ATOM 452 OD1 ASP A 29 7.327 4.051 12.049 1.00 0.00 O ATOM 453 OD2 ASP A 29 8.284 2.436 13.175 1.00 0.00 O ATOM 0 H ASP A 29 6.256 0.182 9.615 1.00 0.00 H new ATOM 0 HA ASP A 29 5.659 0.939 12.283 1.00 0.00 H new ATOM 0 HB2 ASP A 29 7.901 1.004 11.159 1.00 0.00 H new ATOM 0 HB3 ASP A 29 7.335 2.320 10.149 1.00 0.00 H new ATOM 458 N LEU A 30 4.546 2.864 9.861 1.00 0.00 N ATOM 459 CA LEU A 30 3.603 3.923 9.557 1.00 0.00 C ATOM 460 C LEU A 30 2.193 3.483 9.918 1.00 0.00 C ATOM 461 O LEU A 30 1.556 4.057 10.805 1.00 0.00 O ATOM 462 CB LEU A 30 3.674 4.296 8.074 1.00 0.00 C ATOM 463 CG LEU A 30 4.995 4.919 7.622 1.00 0.00 C ATOM 464 CD1 LEU A 30 5.005 5.112 6.113 1.00 0.00 C ATOM 465 CD2 LEU A 30 5.226 6.249 8.329 1.00 0.00 C ATOM 0 H LEU A 30 4.975 2.432 9.043 1.00 0.00 H new ATOM 0 HA LEU A 30 3.864 4.801 10.147 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.492 3.400 7.481 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.867 4.994 7.852 1.00 0.00 H new ATOM 0 HG LEU A 30 5.805 4.240 7.888 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.953 5.556 5.809 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.883 4.147 5.622 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.186 5.771 5.825 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.171 6.679 7.996 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.412 6.934 8.091 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.261 6.087 9.406 1.00 0.00 H new ATOM 477 N GLY A 31 1.715 2.452 9.240 1.00 0.00 N ATOM 478 CA GLY A 31 0.390 1.947 9.504 1.00 0.00 C ATOM 479 C GLY A 31 -0.113 1.050 8.394 1.00 0.00 C ATOM 480 O GLY A 31 -1.312 0.997 8.128 1.00 0.00 O ATOM 0 H GLY A 31 2.225 1.956 8.509 1.00 0.00 H new ATOM 0 HA2 GLY A 31 0.395 1.393 10.442 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -0.297 2.784 9.632 1.00 0.00 H new ATOM 484 N LEU A 32 0.803 0.356 7.733 1.00 0.00 N ATOM 485 CA LEU A 32 0.439 -0.582 6.688 1.00 0.00 C ATOM 486 C LEU A 32 0.601 -1.997 7.224 1.00 0.00 C ATOM 487 O LEU A 32 1.667 -2.599 7.117 1.00 0.00 O ATOM 488 CB LEU A 32 1.304 -0.351 5.442 1.00 0.00 C ATOM 489 CG LEU A 32 0.701 -0.818 4.110 1.00 0.00 C ATOM 490 CD1 LEU A 32 1.498 -0.253 2.946 1.00 0.00 C ATOM 491 CD2 LEU A 32 0.663 -2.336 4.020 1.00 0.00 C ATOM 0 H LEU A 32 1.806 0.427 7.905 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.600 -0.432 6.394 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.521 0.715 5.367 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.257 -0.861 5.586 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.323 -0.449 4.061 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.060 -0.592 2.007 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.476 0.836 2.985 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.530 -0.598 3.010 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.230 -2.633 3.065 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.676 -2.731 4.098 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.055 -2.734 4.833 1.00 0.00 H new ATOM 503 N VAL A 33 -0.454 -2.495 7.849 1.00 0.00 N ATOM 504 CA VAL A 33 -0.436 -3.809 8.474 1.00 0.00 C ATOM 505 C VAL A 33 -1.677 -4.598 8.078 1.00 0.00 C ATOM 506 O VAL A 33 -2.525 -4.095 7.342 1.00 0.00 O ATOM 507 CB VAL A 33 -0.382 -3.700 10.017 1.00 0.00 C ATOM 508 CG1 VAL A 33 0.893 -3.002 10.473 1.00 0.00 C ATOM 509 CG2 VAL A 33 -1.608 -2.968 10.546 1.00 0.00 C ATOM 0 H VAL A 33 -1.343 -2.003 7.938 1.00 0.00 H new ATOM 0 HA VAL A 33 0.460 -4.324 8.126 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.378 -4.711 10.425 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.904 -2.939 11.561 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.760 -3.569 10.133 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.929 -1.997 10.051 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.551 -2.902 11.633 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.643 -1.964 10.122 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.508 -3.513 10.262 1.00 0.00 H new ATOM 519 N ARG A 34 -1.790 -5.823 8.569 1.00 0.00 N ATOM 520 CA ARG A 34 -2.975 -6.626 8.314 1.00 0.00 C ATOM 521 C ARG A 34 -4.166 -5.998 9.025 1.00 0.00 C ATOM 522 O ARG A 34 -4.176 -5.888 10.252 1.00 0.00 O ATOM 523 CB ARG A 34 -2.782 -8.065 8.800 1.00 0.00 C ATOM 524 CG ARG A 34 -3.815 -9.029 8.236 1.00 0.00 C ATOM 525 CD ARG A 34 -3.813 -10.356 8.974 1.00 0.00 C ATOM 526 NE ARG A 34 -4.494 -10.264 10.265 1.00 0.00 N ATOM 527 CZ ARG A 34 -5.021 -11.305 10.910 1.00 0.00 C ATOM 528 NH1 ARG A 34 -4.844 -12.539 10.451 1.00 0.00 N ATOM 529 NH2 ARG A 34 -5.708 -11.102 12.029 1.00 0.00 N ATOM 0 H ARG A 34 -1.081 -6.280 9.142 1.00 0.00 H new ATOM 0 HA ARG A 34 -3.153 -6.654 7.239 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -1.785 -8.406 8.521 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -2.832 -8.084 9.889 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -4.806 -8.579 8.301 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -3.612 -9.201 7.179 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.300 -11.113 8.360 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -2.785 -10.684 9.129 1.00 0.00 H new ATOM 0 HE ARG A 34 -4.571 -9.344 10.700 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -4.302 -12.694 9.601 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -5.250 -13.331 10.949 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -5.829 -10.155 12.388 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -6.114 -11.893 12.529 1.00 0.00 H new ATOM 543 N GLY A 35 -5.155 -5.580 8.256 1.00 0.00 N ATOM 544 CA GLY A 35 -6.315 -4.927 8.831 1.00 0.00 C ATOM 545 C GLY A 35 -6.277 -3.426 8.641 1.00 0.00 C ATOM 546 O GLY A 35 -7.215 -2.716 9.021 1.00 0.00 O ATOM 0 H GLY A 35 -5.178 -5.680 7.241 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.220 -5.327 8.373 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -6.369 -5.156 9.895 1.00 0.00 H new ATOM 550 N ALA A 36 -5.188 -2.938 8.060 1.00 0.00 N ATOM 551 CA ALA A 36 -5.054 -1.522 7.762 1.00 0.00 C ATOM 552 C ALA A 36 -5.906 -1.164 6.557 1.00 0.00 C ATOM 553 O ALA A 36 -5.855 -1.839 5.527 1.00 0.00 O ATOM 554 CB ALA A 36 -3.600 -1.158 7.507 1.00 0.00 C ATOM 0 H ALA A 36 -4.385 -3.505 7.786 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.400 -0.952 8.625 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.525 -0.093 7.286 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.007 -1.388 8.392 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -3.225 -1.732 6.660 1.00 0.00 H new ATOM 560 N LYS A 37 -6.690 -0.112 6.693 1.00 0.00 N ATOM 561 CA LYS A 37 -7.628 0.278 5.655 1.00 0.00 C ATOM 562 C LYS A 37 -7.142 1.551 4.978 1.00 0.00 C ATOM 563 O LYS A 37 -6.852 2.548 5.644 1.00 0.00 O ATOM 564 CB LYS A 37 -9.016 0.477 6.268 1.00 0.00 C ATOM 565 CG LYS A 37 -9.288 -0.492 7.411 1.00 0.00 C ATOM 566 CD LYS A 37 -10.720 -0.422 7.912 1.00 0.00 C ATOM 567 CE LYS A 37 -10.857 -1.085 9.277 1.00 0.00 C ATOM 568 NZ LYS A 37 -10.183 -2.411 9.334 1.00 0.00 N ATOM 0 H LYS A 37 -6.697 0.491 7.516 1.00 0.00 H new ATOM 0 HA LYS A 37 -7.693 -0.507 4.901 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -9.106 1.500 6.633 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -9.774 0.346 5.496 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.073 -1.508 7.079 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -8.608 -0.275 8.235 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -11.035 0.619 7.977 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.383 -0.912 7.198 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -10.433 -0.432 10.039 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -11.914 -1.207 9.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -10.594 -2.977 10.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -10.316 -2.907 8.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -9.167 -2.277 9.508 1.00 0.00 H new ATOM 582 N LEU A 38 -7.037 1.513 3.659 1.00 0.00 N ATOM 583 CA LEU A 38 -6.472 2.626 2.915 1.00 0.00 C ATOM 584 C LEU A 38 -7.291 2.947 1.671 1.00 0.00 C ATOM 585 O LEU A 38 -8.136 2.157 1.240 1.00 0.00 O ATOM 586 CB LEU A 38 -5.021 2.328 2.511 1.00 0.00 C ATOM 587 CG LEU A 38 -4.817 1.177 1.519 1.00 0.00 C ATOM 588 CD1 LEU A 38 -3.451 1.293 0.864 1.00 0.00 C ATOM 589 CD2 LEU A 38 -4.939 -0.172 2.209 1.00 0.00 C ATOM 0 H LEU A 38 -7.335 0.725 3.083 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.494 3.495 3.573 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.593 3.233 2.079 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.453 2.107 3.414 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.595 1.245 0.759 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.314 0.472 0.161 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.382 2.242 0.332 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.676 1.249 1.629 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.790 -0.968 1.480 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.184 -0.250 2.991 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.931 -0.266 2.651 1.00 0.00 H new ATOM 601 N LYS A 39 -7.035 4.115 1.107 1.00 0.00 N ATOM 602 CA LYS A 39 -7.662 4.527 -0.136 1.00 0.00 C ATOM 603 C LYS A 39 -6.598 4.959 -1.133 1.00 0.00 C ATOM 604 O LYS A 39 -5.728 5.771 -0.810 1.00 0.00 O ATOM 605 CB LYS A 39 -8.641 5.678 0.095 1.00 0.00 C ATOM 606 CG LYS A 39 -9.289 6.178 -1.187 1.00 0.00 C ATOM 607 CD LYS A 39 -10.155 7.403 -0.946 1.00 0.00 C ATOM 608 CE LYS A 39 -10.790 7.897 -2.238 1.00 0.00 C ATOM 609 NZ LYS A 39 -9.780 8.416 -3.200 1.00 0.00 N ATOM 0 H LYS A 39 -6.389 4.802 1.496 1.00 0.00 H new ATOM 0 HA LYS A 39 -8.216 3.677 -0.533 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -9.419 5.352 0.785 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -8.115 6.503 0.575 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -8.514 6.419 -1.915 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -9.897 5.384 -1.620 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -10.935 7.162 -0.224 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -9.550 8.198 -0.509 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -11.346 7.082 -2.702 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -11.509 8.684 -2.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -10.262 8.788 -4.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -9.232 9.177 -2.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -9.139 7.646 -3.479 1.00 0.00 H new ATOM 623 N VAL A 40 -6.664 4.413 -2.335 1.00 0.00 N ATOM 624 CA VAL A 40 -5.730 4.782 -3.385 1.00 0.00 C ATOM 625 C VAL A 40 -6.001 6.208 -3.850 1.00 0.00 C ATOM 626 O VAL A 40 -7.148 6.569 -4.140 1.00 0.00 O ATOM 627 CB VAL A 40 -5.821 3.821 -4.587 1.00 0.00 C ATOM 628 CG1 VAL A 40 -4.811 4.192 -5.664 1.00 0.00 C ATOM 629 CG2 VAL A 40 -5.615 2.385 -4.135 1.00 0.00 C ATOM 0 H VAL A 40 -7.354 3.713 -2.608 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.724 4.715 -2.971 1.00 0.00 H new ATOM 0 HB VAL A 40 -6.819 3.912 -5.017 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -4.898 3.497 -6.499 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -5.007 5.206 -6.013 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -3.803 4.139 -5.252 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -5.682 1.719 -4.996 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -4.632 2.286 -3.676 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -6.383 2.118 -3.409 1.00 0.00 H new ATOM 639 N LEU A 41 -4.954 7.018 -3.897 1.00 0.00 N ATOM 640 CA LEU A 41 -5.076 8.396 -4.338 1.00 0.00 C ATOM 641 C LEU A 41 -4.798 8.495 -5.828 1.00 0.00 C ATOM 642 O LEU A 41 -5.658 8.919 -6.601 1.00 0.00 O ATOM 643 CB LEU A 41 -4.110 9.301 -3.568 1.00 0.00 C ATOM 644 CG LEU A 41 -4.273 9.290 -2.048 1.00 0.00 C ATOM 645 CD1 LEU A 41 -3.224 10.179 -1.401 1.00 0.00 C ATOM 646 CD2 LEU A 41 -5.672 9.740 -1.654 1.00 0.00 C ATOM 0 H LEU A 41 -4.008 6.742 -3.634 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.095 8.728 -4.140 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.090 9.003 -3.809 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.236 10.324 -3.923 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.132 8.269 -1.692 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.351 10.163 -0.319 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.229 9.813 -1.655 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.338 11.200 -1.764 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.767 9.725 -0.568 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.845 10.752 -2.019 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.408 9.066 -2.092 1.00 0.00 H new ATOM 658 N ARG A 42 -3.597 8.086 -6.230 1.00 0.00 N ATOM 659 CA ARG A 42 -3.206 8.146 -7.628 1.00 0.00 C ATOM 660 C ARG A 42 -1.943 7.330 -7.857 1.00 0.00 C ATOM 661 O ARG A 42 -1.215 7.006 -6.916 1.00 0.00 O ATOM 662 CB ARG A 42 -2.970 9.601 -8.050 1.00 0.00 C ATOM 663 CG ARG A 42 -2.863 9.808 -9.555 1.00 0.00 C ATOM 664 CD ARG A 42 -2.594 11.263 -9.892 1.00 0.00 C ATOM 665 NE ARG A 42 -2.541 11.503 -11.332 1.00 0.00 N ATOM 666 CZ ARG A 42 -2.669 12.710 -11.888 1.00 0.00 C ATOM 667 NH1 ARG A 42 -2.872 13.777 -11.125 1.00 0.00 N ATOM 668 NH2 ARG A 42 -2.591 12.845 -13.204 1.00 0.00 N ATOM 0 H ARG A 42 -2.882 7.711 -5.606 1.00 0.00 H new ATOM 0 HA ARG A 42 -4.011 7.728 -8.232 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -3.786 10.215 -7.668 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -2.054 9.959 -7.580 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -2.062 9.186 -9.954 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -3.787 9.486 -10.035 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -3.374 11.885 -9.452 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -1.650 11.569 -9.441 1.00 0.00 H new ATOM 0 HE ARG A 42 -2.398 10.703 -11.948 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -2.930 13.676 -10.112 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -2.969 14.698 -11.552 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -2.433 12.027 -13.792 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -2.689 13.767 -13.629 1.00 0.00 H new ATOM 682 N PHE A 43 -1.700 7.002 -9.108 1.00 0.00 N ATOM 683 CA PHE A 43 -0.499 6.298 -9.508 1.00 0.00 C ATOM 684 C PHE A 43 0.333 7.224 -10.375 1.00 0.00 C ATOM 685 O PHE A 43 -0.216 8.104 -11.038 1.00 0.00 O ATOM 686 CB PHE A 43 -0.843 5.039 -10.313 1.00 0.00 C ATOM 687 CG PHE A 43 -1.748 4.073 -9.602 1.00 0.00 C ATOM 688 CD1 PHE A 43 -1.222 3.064 -8.814 1.00 0.00 C ATOM 689 CD2 PHE A 43 -3.123 4.166 -9.738 1.00 0.00 C ATOM 690 CE1 PHE A 43 -2.052 2.170 -8.167 1.00 0.00 C ATOM 691 CE2 PHE A 43 -3.958 3.273 -9.095 1.00 0.00 C ATOM 692 CZ PHE A 43 -3.421 2.273 -8.310 1.00 0.00 C ATOM 0 H PHE A 43 -2.332 7.217 -9.879 1.00 0.00 H new ATOM 0 HA PHE A 43 0.050 5.998 -8.616 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -1.316 5.339 -11.248 1.00 0.00 H new ATOM 0 HB3 PHE A 43 0.082 4.526 -10.574 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -0.151 2.975 -8.704 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -3.547 4.945 -10.354 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -1.630 1.391 -7.550 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -5.029 3.357 -9.206 1.00 0.00 H new ATOM 0 HZ PHE A 43 -4.071 1.572 -7.808 1.00 0.00 H new ATOM 702 N ALA A 44 1.641 7.048 -10.357 1.00 0.00 N ATOM 703 CA ALA A 44 2.502 7.779 -11.266 1.00 0.00 C ATOM 704 C ALA A 44 2.314 7.247 -12.688 1.00 0.00 C ATOM 705 O ALA A 44 1.770 6.155 -12.870 1.00 0.00 O ATOM 706 CB ALA A 44 3.951 7.662 -10.819 1.00 0.00 C ATOM 0 H ALA A 44 2.127 6.410 -9.727 1.00 0.00 H new ATOM 0 HA ALA A 44 2.234 8.835 -11.256 1.00 0.00 H new ATOM 0 HB1 ALA A 44 4.590 8.214 -11.508 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.057 8.075 -9.816 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.246 6.613 -10.812 1.00 0.00 H new ATOM 712 N PRO A 45 2.770 7.993 -13.712 1.00 0.00 N ATOM 713 CA PRO A 45 2.603 7.614 -15.131 1.00 0.00 C ATOM 714 C PRO A 45 3.294 6.302 -15.514 1.00 0.00 C ATOM 715 O PRO A 45 3.328 5.935 -16.687 1.00 0.00 O ATOM 716 CB PRO A 45 3.239 8.780 -15.892 1.00 0.00 C ATOM 717 CG PRO A 45 4.141 9.432 -14.908 1.00 0.00 C ATOM 718 CD PRO A 45 3.462 9.285 -13.583 1.00 0.00 C ATOM 0 HA PRO A 45 1.551 7.441 -15.359 1.00 0.00 H new ATOM 0 HB2 PRO A 45 3.792 8.428 -16.763 1.00 0.00 H new ATOM 0 HB3 PRO A 45 2.482 9.475 -16.255 1.00 0.00 H new ATOM 0 HG2 PRO A 45 5.122 8.957 -14.901 1.00 0.00 H new ATOM 0 HG3 PRO A 45 4.297 10.482 -15.155 1.00 0.00 H new ATOM 0 HD2 PRO A 45 4.177 9.280 -12.760 1.00 0.00 H new ATOM 0 HD3 PRO A 45 2.764 10.100 -13.394 1.00 0.00 H new ATOM 726 N LEU A 46 3.842 5.605 -14.534 1.00 0.00 N ATOM 727 CA LEU A 46 4.505 4.332 -14.775 1.00 0.00 C ATOM 728 C LEU A 46 4.032 3.294 -13.765 1.00 0.00 C ATOM 729 O LEU A 46 4.545 2.177 -13.721 1.00 0.00 O ATOM 730 CB LEU A 46 6.024 4.494 -14.664 1.00 0.00 C ATOM 731 CG LEU A 46 6.669 5.400 -15.712 1.00 0.00 C ATOM 732 CD1 LEU A 46 8.142 5.605 -15.399 1.00 0.00 C ATOM 733 CD2 LEU A 46 6.500 4.808 -17.101 1.00 0.00 C ATOM 0 H LEU A 46 3.841 5.900 -13.558 1.00 0.00 H new ATOM 0 HA LEU A 46 4.253 3.998 -15.781 1.00 0.00 H new ATOM 0 HB2 LEU A 46 6.258 4.888 -13.675 1.00 0.00 H new ATOM 0 HB3 LEU A 46 6.483 3.507 -14.731 1.00 0.00 H new ATOM 0 HG LEU A 46 6.171 6.369 -15.686 1.00 0.00 H new ATOM 0 HD11 LEU A 46 8.588 6.252 -16.154 1.00 0.00 H new ATOM 0 HD12 LEU A 46 8.244 6.068 -14.418 1.00 0.00 H new ATOM 0 HD13 LEU A 46 8.652 4.642 -15.400 1.00 0.00 H new ATOM 0 HD21 LEU A 46 6.965 5.465 -17.836 1.00 0.00 H new ATOM 0 HD22 LEU A 46 6.975 3.828 -17.139 1.00 0.00 H new ATOM 0 HD23 LEU A 46 5.438 4.705 -17.326 1.00 0.00 H new ATOM 745 N GLY A 47 3.044 3.669 -12.961 1.00 0.00 N ATOM 746 CA GLY A 47 2.565 2.790 -11.908 1.00 0.00 C ATOM 747 C GLY A 47 3.499 2.783 -10.717 1.00 0.00 C ATOM 748 O GLY A 47 3.325 2.006 -9.782 1.00 0.00 O ATOM 0 H GLY A 47 2.565 4.567 -13.019 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.573 3.110 -11.590 1.00 0.00 H new ATOM 0 HA3 GLY A 47 2.464 1.777 -12.297 1.00 0.00 H new ATOM 752 N ASP A 48 4.494 3.659 -10.764 1.00 0.00 N ATOM 753 CA ASP A 48 5.500 3.753 -9.718 1.00 0.00 C ATOM 754 C ASP A 48 6.020 5.185 -9.650 1.00 0.00 C ATOM 755 O ASP A 48 6.456 5.732 -10.662 1.00 0.00 O ATOM 756 CB ASP A 48 6.652 2.789 -10.015 1.00 0.00 C ATOM 757 CG ASP A 48 7.621 2.642 -8.857 1.00 0.00 C ATOM 758 OD1 ASP A 48 8.288 3.631 -8.490 1.00 0.00 O ATOM 759 OD2 ASP A 48 7.739 1.518 -8.328 1.00 0.00 O ATOM 0 H ASP A 48 4.625 4.323 -11.527 1.00 0.00 H new ATOM 0 HA ASP A 48 5.057 3.483 -8.759 1.00 0.00 H new ATOM 0 HB2 ASP A 48 6.243 1.810 -10.265 1.00 0.00 H new ATOM 0 HB3 ASP A 48 7.195 3.141 -10.892 1.00 0.00 H new ATOM 764 N PRO A 49 5.961 5.822 -8.471 1.00 0.00 N ATOM 765 CA PRO A 49 5.414 5.226 -7.259 1.00 0.00 C ATOM 766 C PRO A 49 3.896 5.371 -7.160 1.00 0.00 C ATOM 767 O PRO A 49 3.239 5.884 -8.073 1.00 0.00 O ATOM 768 CB PRO A 49 6.096 6.018 -6.129 1.00 0.00 C ATOM 769 CG PRO A 49 6.929 7.072 -6.793 1.00 0.00 C ATOM 770 CD PRO A 49 6.451 7.172 -8.214 1.00 0.00 C ATOM 0 HA PRO A 49 5.598 4.152 -7.224 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.355 6.468 -5.468 1.00 0.00 H new ATOM 0 HB3 PRO A 49 6.715 5.364 -5.515 1.00 0.00 H new ATOM 0 HG2 PRO A 49 6.822 8.028 -6.281 1.00 0.00 H new ATOM 0 HG3 PRO A 49 7.986 6.808 -6.758 1.00 0.00 H new ATOM 0 HD2 PRO A 49 5.665 7.919 -8.327 1.00 0.00 H new ATOM 0 HD3 PRO A 49 7.255 7.450 -8.895 1.00 0.00 H new ATOM 778 N ILE A 50 3.348 4.913 -6.047 1.00 0.00 N ATOM 779 CA ILE A 50 1.916 4.966 -5.803 1.00 0.00 C ATOM 780 C ILE A 50 1.621 5.810 -4.570 1.00 0.00 C ATOM 781 O ILE A 50 2.287 5.672 -3.540 1.00 0.00 O ATOM 782 CB ILE A 50 1.339 3.550 -5.596 1.00 0.00 C ATOM 783 CG1 ILE A 50 1.689 2.659 -6.790 1.00 0.00 C ATOM 784 CG2 ILE A 50 -0.170 3.610 -5.400 1.00 0.00 C ATOM 785 CD1 ILE A 50 1.239 1.222 -6.637 1.00 0.00 C ATOM 0 H ILE A 50 3.883 4.494 -5.287 1.00 0.00 H new ATOM 0 HA ILE A 50 1.446 5.417 -6.677 1.00 0.00 H new ATOM 0 HB ILE A 50 1.783 3.121 -4.698 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.235 3.078 -7.688 1.00 0.00 H new ATOM 0 HG13 ILE A 50 2.768 2.677 -6.940 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.559 2.602 -5.256 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -0.399 4.216 -4.524 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.634 4.055 -6.280 1.00 0.00 H new ATOM 0 HD11 ILE A 50 1.524 0.655 -7.524 1.00 0.00 H new ATOM 0 HD12 ILE A 50 1.713 0.784 -5.759 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.156 1.191 -6.519 1.00 0.00 H new ATOM 797 N GLU A 51 0.637 6.691 -4.683 1.00 0.00 N ATOM 798 CA GLU A 51 0.212 7.514 -3.561 1.00 0.00 C ATOM 799 C GLU A 51 -1.111 6.993 -3.010 1.00 0.00 C ATOM 800 O GLU A 51 -2.114 6.947 -3.726 1.00 0.00 O ATOM 801 CB GLU A 51 0.063 8.976 -3.992 1.00 0.00 C ATOM 802 CG GLU A 51 1.347 9.570 -4.552 1.00 0.00 C ATOM 803 CD GLU A 51 1.214 11.031 -4.932 1.00 0.00 C ATOM 804 OE1 GLU A 51 1.065 11.884 -4.027 1.00 0.00 O ATOM 805 OE2 GLU A 51 1.285 11.339 -6.141 1.00 0.00 O ATOM 0 H GLU A 51 0.116 6.854 -5.545 1.00 0.00 H new ATOM 0 HA GLU A 51 0.971 7.461 -2.781 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.722 9.048 -4.745 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.261 9.569 -3.137 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.141 9.465 -3.813 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.651 8.999 -5.430 1.00 0.00 H new ATOM 812 N VAL A 52 -1.105 6.584 -1.752 1.00 0.00 N ATOM 813 CA VAL A 52 -2.297 6.040 -1.115 1.00 0.00 C ATOM 814 C VAL A 52 -2.457 6.595 0.293 1.00 0.00 C ATOM 815 O VAL A 52 -1.473 6.825 0.992 1.00 0.00 O ATOM 816 CB VAL A 52 -2.258 4.494 -1.042 1.00 0.00 C ATOM 817 CG1 VAL A 52 -2.354 3.882 -2.429 1.00 0.00 C ATOM 818 CG2 VAL A 52 -0.998 4.016 -0.331 1.00 0.00 C ATOM 0 H VAL A 52 -0.284 6.618 -1.147 1.00 0.00 H new ATOM 0 HA VAL A 52 -3.146 6.339 -1.730 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.122 4.164 -0.465 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.324 2.795 -2.350 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.290 4.186 -2.897 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.516 4.225 -3.037 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -0.993 2.927 -0.292 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.119 4.364 -0.875 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -0.979 4.415 0.683 1.00 0.00 H new ATOM 828 N ASN A 53 -3.692 6.824 0.703 1.00 0.00 N ATOM 829 CA ASN A 53 -3.965 7.255 2.065 1.00 0.00 C ATOM 830 C ASN A 53 -4.149 6.029 2.939 1.00 0.00 C ATOM 831 O ASN A 53 -5.207 5.403 2.924 1.00 0.00 O ATOM 832 CB ASN A 53 -5.217 8.140 2.115 1.00 0.00 C ATOM 833 CG ASN A 53 -5.486 8.730 3.498 1.00 0.00 C ATOM 834 OD1 ASN A 53 -5.180 8.129 4.527 1.00 0.00 O ATOM 835 ND2 ASN A 53 -6.079 9.915 3.528 1.00 0.00 N ATOM 0 H ASN A 53 -4.520 6.720 0.116 1.00 0.00 H new ATOM 0 HA ASN A 53 -3.126 7.846 2.432 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -5.108 8.952 1.396 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -6.081 7.553 1.804 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -6.295 10.355 4.423 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -6.320 10.387 2.656 1.00 0.00 H new ATOM 842 N CYS A 54 -3.116 5.685 3.687 1.00 0.00 N ATOM 843 CA CYS A 54 -3.134 4.486 4.499 1.00 0.00 C ATOM 844 C CYS A 54 -3.083 4.845 5.973 1.00 0.00 C ATOM 845 O CYS A 54 -2.164 5.534 6.425 1.00 0.00 O ATOM 846 CB CYS A 54 -1.964 3.570 4.127 1.00 0.00 C ATOM 847 SG CYS A 54 -2.010 1.943 4.917 1.00 0.00 S ATOM 0 H CYS A 54 -2.252 6.223 3.748 1.00 0.00 H new ATOM 0 HA CYS A 54 -4.064 3.951 4.307 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -1.953 3.435 3.045 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -1.031 4.065 4.396 1.00 0.00 H new ATOM 0 HG CYS A 54 -1.641 2.053 6.159 1.00 0.00 H new ATOM 853 N ASN A 55 -4.102 4.402 6.703 1.00 0.00 N ATOM 854 CA ASN A 55 -4.182 4.595 8.148 1.00 0.00 C ATOM 855 C ASN A 55 -4.287 6.081 8.492 1.00 0.00 C ATOM 856 O ASN A 55 -3.918 6.508 9.584 1.00 0.00 O ATOM 857 CB ASN A 55 -2.962 3.974 8.837 1.00 0.00 C ATOM 858 CG ASN A 55 -3.301 3.372 10.185 1.00 0.00 C ATOM 859 OD1 ASN A 55 -3.273 4.048 11.211 1.00 0.00 O ATOM 860 ND2 ASN A 55 -3.610 2.083 10.192 1.00 0.00 N ATOM 0 H ASN A 55 -4.897 3.898 6.309 1.00 0.00 H new ATOM 0 HA ASN A 55 -5.081 4.096 8.510 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -2.539 3.202 8.194 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -2.194 4.737 8.966 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -3.836 1.617 11.071 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -3.622 1.557 9.318 1.00 0.00 H new ATOM 867 N GLY A 56 -4.799 6.862 7.544 1.00 0.00 N ATOM 868 CA GLY A 56 -4.995 8.280 7.770 1.00 0.00 C ATOM 869 C GLY A 56 -3.849 9.128 7.248 1.00 0.00 C ATOM 870 O GLY A 56 -3.938 10.358 7.233 1.00 0.00 O ATOM 0 H GLY A 56 -5.082 6.534 6.620 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -5.921 8.594 7.289 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -5.115 8.459 8.839 1.00 0.00 H new ATOM 874 N MET A 57 -2.779 8.482 6.807 1.00 0.00 N ATOM 875 CA MET A 57 -1.605 9.193 6.317 1.00 0.00 C ATOM 876 C MET A 57 -1.412 8.965 4.824 1.00 0.00 C ATOM 877 O MET A 57 -1.587 7.851 4.332 1.00 0.00 O ATOM 878 CB MET A 57 -0.358 8.748 7.080 1.00 0.00 C ATOM 879 CG MET A 57 -0.394 9.079 8.560 1.00 0.00 C ATOM 880 SD MET A 57 1.050 8.453 9.438 1.00 0.00 S ATOM 881 CE MET A 57 0.886 6.699 9.123 1.00 0.00 C ATOM 0 H MET A 57 -2.699 7.466 6.778 1.00 0.00 H new ATOM 0 HA MET A 57 -1.762 10.259 6.483 1.00 0.00 H new ATOM 0 HB2 MET A 57 -0.236 7.671 6.961 1.00 0.00 H new ATOM 0 HB3 MET A 57 0.517 9.219 6.633 1.00 0.00 H new ATOM 0 HG2 MET A 57 -0.453 10.160 8.687 1.00 0.00 H new ATOM 0 HG3 MET A 57 -1.296 8.657 9.002 1.00 0.00 H new ATOM 0 HE1 MET A 57 1.491 6.143 9.839 1.00 0.00 H new ATOM 0 HE2 MET A 57 -0.159 6.407 9.227 1.00 0.00 H new ATOM 0 HE3 MET A 57 1.226 6.478 8.111 1.00 0.00 H new ATOM 891 N LEU A 58 -1.072 10.025 4.104 1.00 0.00 N ATOM 892 CA LEU A 58 -0.770 9.914 2.685 1.00 0.00 C ATOM 893 C LEU A 58 0.609 9.293 2.508 1.00 0.00 C ATOM 894 O LEU A 58 1.628 9.961 2.690 1.00 0.00 O ATOM 895 CB LEU A 58 -0.809 11.290 2.011 1.00 0.00 C ATOM 896 CG LEU A 58 -2.067 12.122 2.272 1.00 0.00 C ATOM 897 CD1 LEU A 58 -1.992 13.442 1.525 1.00 0.00 C ATOM 898 CD2 LEU A 58 -3.316 11.356 1.872 1.00 0.00 C ATOM 0 H LEU A 58 -0.999 10.971 4.479 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.523 9.280 2.216 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.058 11.862 2.343 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.705 11.150 0.935 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.123 12.328 3.341 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.894 14.022 1.721 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.120 14.002 1.862 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.909 13.250 0.455 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.196 11.968 2.067 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -3.270 11.114 0.810 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.379 10.435 2.451 1.00 0.00 H new ATOM 910 N LEU A 59 0.643 8.013 2.177 1.00 0.00 N ATOM 911 CA LEU A 59 1.897 7.297 2.062 1.00 0.00 C ATOM 912 C LEU A 59 2.286 7.172 0.597 1.00 0.00 C ATOM 913 O LEU A 59 1.428 7.169 -0.288 1.00 0.00 O ATOM 914 CB LEU A 59 1.795 5.902 2.698 1.00 0.00 C ATOM 915 CG LEU A 59 1.093 5.828 4.063 1.00 0.00 C ATOM 916 CD1 LEU A 59 1.332 4.471 4.705 1.00 0.00 C ATOM 917 CD2 LEU A 59 1.545 6.940 4.999 1.00 0.00 C ATOM 0 H LEU A 59 -0.185 7.450 1.984 1.00 0.00 H new ATOM 0 HA LEU A 59 2.664 7.859 2.595 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.266 5.247 2.005 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.803 5.502 2.809 1.00 0.00 H new ATOM 0 HG LEU A 59 0.025 5.962 3.888 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.829 4.432 5.671 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.936 3.688 4.058 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.402 4.319 4.846 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.023 6.848 5.952 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.619 6.862 5.165 1.00 0.00 H new ATOM 0 HD23 LEU A 59 1.317 7.907 4.552 1.00 0.00 H new ATOM 929 N THR A 60 3.574 7.084 0.347 1.00 0.00 N ATOM 930 CA THR A 60 4.077 6.936 -1.003 1.00 0.00 C ATOM 931 C THR A 60 5.153 5.860 -1.049 1.00 0.00 C ATOM 932 O THR A 60 6.178 5.961 -0.374 1.00 0.00 O ATOM 933 CB THR A 60 4.650 8.266 -1.529 1.00 0.00 C ATOM 934 OG1 THR A 60 3.679 9.307 -1.357 1.00 0.00 O ATOM 935 CG2 THR A 60 5.019 8.151 -3.000 1.00 0.00 C ATOM 0 H THR A 60 4.297 7.113 1.066 1.00 0.00 H new ATOM 0 HA THR A 60 3.244 6.641 -1.641 1.00 0.00 H new ATOM 0 HB THR A 60 5.551 8.504 -0.964 1.00 0.00 H new ATOM 0 HG1 THR A 60 4.044 10.153 -1.690 1.00 0.00 H new ATOM 0 HG21 THR A 60 5.421 9.102 -3.350 1.00 0.00 H new ATOM 0 HG22 THR A 60 5.769 7.371 -3.127 1.00 0.00 H new ATOM 0 HG23 THR A 60 4.131 7.898 -3.579 1.00 0.00 H new ATOM 943 N MET A 61 4.908 4.833 -1.844 1.00 0.00 N ATOM 944 CA MET A 61 5.835 3.720 -1.970 1.00 0.00 C ATOM 945 C MET A 61 5.891 3.248 -3.408 1.00 0.00 C ATOM 946 O MET A 61 5.125 3.721 -4.248 1.00 0.00 O ATOM 947 CB MET A 61 5.436 2.573 -1.030 1.00 0.00 C ATOM 948 CG MET A 61 3.947 2.237 -1.044 1.00 0.00 C ATOM 949 SD MET A 61 3.390 1.520 -2.600 1.00 0.00 S ATOM 950 CE MET A 61 1.620 1.481 -2.337 1.00 0.00 C ATOM 0 H MET A 61 4.068 4.746 -2.416 1.00 0.00 H new ATOM 0 HA MET A 61 6.830 4.059 -1.680 1.00 0.00 H new ATOM 0 HB2 MET A 61 6.000 1.682 -1.304 1.00 0.00 H new ATOM 0 HB3 MET A 61 5.728 2.834 -0.013 1.00 0.00 H new ATOM 0 HG2 MET A 61 3.732 1.540 -0.234 1.00 0.00 H new ATOM 0 HG3 MET A 61 3.376 3.144 -0.845 1.00 0.00 H new ATOM 0 HE1 MET A 61 1.170 0.738 -2.996 1.00 0.00 H new ATOM 0 HE2 MET A 61 1.412 1.219 -1.300 1.00 0.00 H new ATOM 0 HE3 MET A 61 1.198 2.462 -2.555 1.00 0.00 H new ATOM 960 N ARG A 62 6.796 2.328 -3.691 1.00 0.00 N ATOM 961 CA ARG A 62 7.002 1.877 -5.046 1.00 0.00 C ATOM 962 C ARG A 62 6.124 0.684 -5.365 1.00 0.00 C ATOM 963 O ARG A 62 5.571 0.039 -4.471 1.00 0.00 O ATOM 964 CB ARG A 62 8.474 1.532 -5.271 1.00 0.00 C ATOM 965 CG ARG A 62 9.398 2.725 -5.121 1.00 0.00 C ATOM 966 CD ARG A 62 9.691 3.060 -3.670 1.00 0.00 C ATOM 967 NE ARG A 62 10.406 1.986 -2.987 1.00 0.00 N ATOM 968 CZ ARG A 62 11.729 1.961 -2.831 1.00 0.00 C ATOM 969 NH1 ARG A 62 12.481 2.901 -3.389 1.00 0.00 N ATOM 970 NH2 ARG A 62 12.305 0.983 -2.143 1.00 0.00 N ATOM 0 H ARG A 62 7.397 1.882 -2.998 1.00 0.00 H new ATOM 0 HA ARG A 62 6.723 2.688 -5.719 1.00 0.00 H new ATOM 0 HB2 ARG A 62 8.772 0.759 -4.562 1.00 0.00 H new ATOM 0 HB3 ARG A 62 8.593 1.112 -6.270 1.00 0.00 H new ATOM 0 HG2 ARG A 62 10.335 2.521 -5.639 1.00 0.00 H new ATOM 0 HG3 ARG A 62 8.948 3.591 -5.606 1.00 0.00 H new ATOM 0 HD2 ARG A 62 10.282 3.974 -3.623 1.00 0.00 H new ATOM 0 HD3 ARG A 62 8.754 3.259 -3.149 1.00 0.00 H new ATOM 0 HE ARG A 62 9.862 1.211 -2.608 1.00 0.00 H new ATOM 0 HH11 ARG A 62 12.046 3.643 -3.938 1.00 0.00 H new ATOM 0 HH12 ARG A 62 13.494 2.882 -3.269 1.00 0.00 H new ATOM 0 HH21 ARG A 62 11.734 0.245 -1.730 1.00 0.00 H new ATOM 0 HH22 ARG A 62 13.318 0.969 -2.027 1.00 0.00 H new ATOM 984 N ARG A 63 6.020 0.383 -6.646 1.00 0.00 N ATOM 985 CA ARG A 63 5.186 -0.708 -7.111 1.00 0.00 C ATOM 986 C ARG A 63 5.736 -2.031 -6.596 1.00 0.00 C ATOM 987 O ARG A 63 4.997 -2.996 -6.413 1.00 0.00 O ATOM 988 CB ARG A 63 5.117 -0.716 -8.637 1.00 0.00 C ATOM 989 CG ARG A 63 3.994 -1.578 -9.176 1.00 0.00 C ATOM 990 CD ARG A 63 3.933 -1.546 -10.692 1.00 0.00 C ATOM 991 NE ARG A 63 2.739 -2.219 -11.190 1.00 0.00 N ATOM 992 CZ ARG A 63 2.728 -3.455 -11.683 1.00 0.00 C ATOM 993 NH1 ARG A 63 3.855 -4.146 -11.788 1.00 0.00 N ATOM 994 NH2 ARG A 63 1.582 -3.988 -12.082 1.00 0.00 N ATOM 0 H ARG A 63 6.508 0.884 -7.388 1.00 0.00 H new ATOM 0 HA ARG A 63 4.176 -0.570 -6.726 1.00 0.00 H new ATOM 0 HB2 ARG A 63 4.987 0.305 -8.994 1.00 0.00 H new ATOM 0 HB3 ARG A 63 6.066 -1.075 -9.036 1.00 0.00 H new ATOM 0 HG2 ARG A 63 4.132 -2.606 -8.840 1.00 0.00 H new ATOM 0 HG3 ARG A 63 3.044 -1.234 -8.767 1.00 0.00 H new ATOM 0 HD2 ARG A 63 3.940 -0.512 -11.036 1.00 0.00 H new ATOM 0 HD3 ARG A 63 4.821 -2.025 -11.104 1.00 0.00 H new ATOM 0 HE ARG A 63 1.856 -1.710 -11.158 1.00 0.00 H new ATOM 0 HH11 ARG A 63 4.738 -3.731 -11.490 1.00 0.00 H new ATOM 0 HH12 ARG A 63 3.839 -5.093 -12.167 1.00 0.00 H new ATOM 0 HH21 ARG A 63 0.718 -3.451 -12.010 1.00 0.00 H new ATOM 0 HH22 ARG A 63 1.565 -4.935 -12.461 1.00 0.00 H new ATOM 1008 N ASN A 64 7.046 -2.053 -6.366 1.00 0.00 N ATOM 1009 CA ASN A 64 7.735 -3.227 -5.836 1.00 0.00 C ATOM 1010 C ASN A 64 7.074 -3.689 -4.541 1.00 0.00 C ATOM 1011 O ASN A 64 6.821 -4.881 -4.347 1.00 0.00 O ATOM 1012 CB ASN A 64 9.210 -2.902 -5.560 1.00 0.00 C ATOM 1013 CG ASN A 64 9.899 -2.212 -6.723 1.00 0.00 C ATOM 1014 OD1 ASN A 64 9.575 -2.448 -7.887 1.00 0.00 O ATOM 1015 ND2 ASN A 64 10.840 -1.332 -6.413 1.00 0.00 N ATOM 0 H ASN A 64 7.660 -1.258 -6.542 1.00 0.00 H new ATOM 0 HA ASN A 64 7.673 -4.022 -6.579 1.00 0.00 H new ATOM 0 HB2 ASN A 64 9.276 -2.265 -4.678 1.00 0.00 H new ATOM 0 HB3 ASN A 64 9.741 -3.825 -5.327 1.00 0.00 H new ATOM 0 HD21 ASN A 64 11.325 -0.822 -7.152 1.00 0.00 H new ATOM 0 HD22 ASN A 64 11.080 -1.165 -5.436 1.00 0.00 H new ATOM 1022 N GLU A 65 6.800 -2.736 -3.654 1.00 0.00 N ATOM 1023 CA GLU A 65 6.127 -3.026 -2.398 1.00 0.00 C ATOM 1024 C GLU A 65 4.689 -3.442 -2.650 1.00 0.00 C ATOM 1025 O GLU A 65 4.234 -4.462 -2.142 1.00 0.00 O ATOM 1026 CB GLU A 65 6.142 -1.810 -1.457 1.00 0.00 C ATOM 1027 CG GLU A 65 7.524 -1.413 -0.958 1.00 0.00 C ATOM 1028 CD GLU A 65 8.326 -0.629 -1.974 1.00 0.00 C ATOM 1029 OE1 GLU A 65 9.030 -1.257 -2.790 1.00 0.00 O ATOM 1030 OE2 GLU A 65 8.272 0.619 -1.947 1.00 0.00 O ATOM 0 H GLU A 65 7.036 -1.753 -3.786 1.00 0.00 H new ATOM 0 HA GLU A 65 6.669 -3.843 -1.921 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.699 -0.960 -1.976 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.507 -2.024 -0.597 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.418 -0.817 -0.051 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.076 -2.312 -0.685 1.00 0.00 H new ATOM 1037 N ALA A 66 3.991 -2.649 -3.455 1.00 0.00 N ATOM 1038 CA ALA A 66 2.570 -2.861 -3.721 1.00 0.00 C ATOM 1039 C ALA A 66 2.293 -4.253 -4.286 1.00 0.00 C ATOM 1040 O ALA A 66 1.256 -4.848 -3.997 1.00 0.00 O ATOM 1041 CB ALA A 66 2.053 -1.788 -4.663 1.00 0.00 C ATOM 0 H ALA A 66 4.390 -1.845 -3.940 1.00 0.00 H new ATOM 0 HA ALA A 66 2.040 -2.791 -2.771 1.00 0.00 H new ATOM 0 HB1 ALA A 66 0.993 -1.953 -4.856 1.00 0.00 H new ATOM 0 HB2 ALA A 66 2.190 -0.807 -4.208 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.604 -1.832 -5.602 1.00 0.00 H new ATOM 1047 N GLU A 67 3.218 -4.756 -5.095 1.00 0.00 N ATOM 1048 CA GLU A 67 3.126 -6.115 -5.625 1.00 0.00 C ATOM 1049 C GLU A 67 3.184 -7.142 -4.495 1.00 0.00 C ATOM 1050 O GLU A 67 2.447 -8.127 -4.493 1.00 0.00 O ATOM 1051 CB GLU A 67 4.264 -6.367 -6.617 1.00 0.00 C ATOM 1052 CG GLU A 67 4.094 -5.655 -7.949 1.00 0.00 C ATOM 1053 CD GLU A 67 3.142 -6.375 -8.882 1.00 0.00 C ATOM 1054 OE1 GLU A 67 3.602 -7.261 -9.632 1.00 0.00 O ATOM 1055 OE2 GLU A 67 1.938 -6.060 -8.879 1.00 0.00 O ATOM 0 H GLU A 67 4.044 -4.242 -5.400 1.00 0.00 H new ATOM 0 HA GLU A 67 2.170 -6.220 -6.139 1.00 0.00 H new ATOM 0 HB2 GLU A 67 5.203 -6.049 -6.164 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.344 -7.439 -6.798 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.726 -4.644 -7.771 1.00 0.00 H new ATOM 0 HG3 GLU A 67 5.067 -5.560 -8.432 1.00 0.00 H new ATOM 1062 N GLY A 68 4.088 -6.917 -3.551 1.00 0.00 N ATOM 1063 CA GLY A 68 4.200 -7.784 -2.390 1.00 0.00 C ATOM 1064 C GLY A 68 3.004 -7.693 -1.460 1.00 0.00 C ATOM 1065 O GLY A 68 2.767 -8.590 -0.646 1.00 0.00 O ATOM 0 H GLY A 68 4.752 -6.143 -3.568 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.315 -8.815 -2.724 1.00 0.00 H new ATOM 0 HA3 GLY A 68 5.103 -7.525 -1.837 1.00 0.00 H new ATOM 1069 N ILE A 69 2.256 -6.608 -1.562 1.00 0.00 N ATOM 1070 CA ILE A 69 1.125 -6.379 -0.677 1.00 0.00 C ATOM 1071 C ILE A 69 -0.168 -6.917 -1.286 1.00 0.00 C ATOM 1072 O ILE A 69 -0.542 -6.565 -2.405 1.00 0.00 O ATOM 1073 CB ILE A 69 0.947 -4.879 -0.362 1.00 0.00 C ATOM 1074 CG1 ILE A 69 2.267 -4.269 0.110 1.00 0.00 C ATOM 1075 CG2 ILE A 69 -0.126 -4.690 0.701 1.00 0.00 C ATOM 1076 CD1 ILE A 69 2.228 -2.761 0.226 1.00 0.00 C ATOM 0 H ILE A 69 2.411 -5.870 -2.249 1.00 0.00 H new ATOM 0 HA ILE A 69 1.338 -6.912 0.250 1.00 0.00 H new ATOM 0 HB ILE A 69 0.636 -4.369 -1.274 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.528 -4.693 1.079 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.058 -4.552 -0.585 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.243 -3.628 0.915 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -1.072 -5.093 0.339 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.167 -5.213 1.611 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.198 -2.397 0.566 1.00 0.00 H new ATOM 0 HD12 ILE A 69 1.998 -2.327 -0.747 1.00 0.00 H new ATOM 0 HD13 ILE A 69 1.460 -2.471 0.943 1.00 0.00 H new ATOM 1088 N THR A 70 -0.838 -7.776 -0.539 1.00 0.00 N ATOM 1089 CA THR A 70 -2.133 -8.295 -0.931 1.00 0.00 C ATOM 1090 C THR A 70 -3.227 -7.524 -0.195 1.00 0.00 C ATOM 1091 O THR A 70 -3.162 -7.356 1.027 1.00 0.00 O ATOM 1092 CB THR A 70 -2.245 -9.799 -0.601 1.00 0.00 C ATOM 1093 OG1 THR A 70 -1.167 -10.518 -1.221 1.00 0.00 O ATOM 1094 CG2 THR A 70 -3.574 -10.371 -1.075 1.00 0.00 C ATOM 0 H THR A 70 -0.499 -8.132 0.355 1.00 0.00 H new ATOM 0 HA THR A 70 -2.250 -8.171 -2.008 1.00 0.00 H new ATOM 0 HB THR A 70 -2.189 -9.910 0.482 1.00 0.00 H new ATOM 0 HG1 THR A 70 -1.243 -11.471 -1.006 1.00 0.00 H new ATOM 0 HG21 THR A 70 -3.622 -11.432 -0.828 1.00 0.00 H new ATOM 0 HG22 THR A 70 -4.392 -9.846 -0.582 1.00 0.00 H new ATOM 0 HG23 THR A 70 -3.660 -10.245 -2.154 1.00 0.00 H new ATOM 1102 N VAL A 71 -4.212 -7.033 -0.932 1.00 0.00 N ATOM 1103 CA VAL A 71 -5.279 -6.240 -0.335 1.00 0.00 C ATOM 1104 C VAL A 71 -6.646 -6.814 -0.667 1.00 0.00 C ATOM 1105 O VAL A 71 -6.789 -7.621 -1.588 1.00 0.00 O ATOM 1106 CB VAL A 71 -5.241 -4.771 -0.801 1.00 0.00 C ATOM 1107 CG1 VAL A 71 -3.919 -4.117 -0.430 1.00 0.00 C ATOM 1108 CG2 VAL A 71 -5.498 -4.672 -2.299 1.00 0.00 C ATOM 0 H VAL A 71 -4.296 -7.168 -1.940 1.00 0.00 H new ATOM 0 HA VAL A 71 -5.114 -6.276 0.742 1.00 0.00 H new ATOM 0 HB VAL A 71 -6.036 -4.232 -0.286 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -3.917 -3.081 -0.770 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.791 -4.144 0.652 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.100 -4.656 -0.906 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -5.466 -3.626 -2.605 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -4.733 -5.231 -2.837 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.479 -5.088 -2.528 1.00 0.00 H new ATOM 1118 N HIS A 72 -7.643 -6.394 0.091 1.00 0.00 N ATOM 1119 CA HIS A 72 -9.021 -6.761 -0.183 1.00 0.00 C ATOM 1120 C HIS A 72 -9.877 -5.503 -0.265 1.00 0.00 C ATOM 1121 O HIS A 72 -9.886 -4.691 0.660 1.00 0.00 O ATOM 1122 CB HIS A 72 -9.551 -7.705 0.902 1.00 0.00 C ATOM 1123 CG HIS A 72 -10.962 -8.160 0.676 1.00 0.00 C ATOM 1124 ND1 HIS A 72 -11.282 -9.023 -0.343 1.00 0.00 N ATOM 1125 CD2 HIS A 72 -12.089 -7.845 1.359 1.00 0.00 C ATOM 1126 CE1 HIS A 72 -12.588 -9.215 -0.256 1.00 0.00 C ATOM 1127 NE2 HIS A 72 -13.121 -8.521 0.760 1.00 0.00 N ATOM 0 H HIS A 72 -7.522 -5.794 0.907 1.00 0.00 H new ATOM 0 HA HIS A 72 -9.068 -7.285 -1.138 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -8.902 -8.579 0.958 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -9.492 -7.202 1.867 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -12.161 -7.187 2.212 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -13.154 -9.851 -0.920 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -14.103 -8.500 1.034 1.00 0.00 H new ATOM 1135 N ILE A 73 -10.574 -5.341 -1.382 1.00 0.00 N ATOM 1136 CA ILE A 73 -11.407 -4.166 -1.613 1.00 0.00 C ATOM 1137 C ILE A 73 -12.567 -4.109 -0.623 1.00 0.00 C ATOM 1138 O ILE A 73 -13.304 -5.083 -0.454 1.00 0.00 O ATOM 1139 CB ILE A 73 -11.947 -4.144 -3.064 1.00 0.00 C ATOM 1140 CG1 ILE A 73 -10.804 -3.846 -4.038 1.00 0.00 C ATOM 1141 CG2 ILE A 73 -13.068 -3.120 -3.227 1.00 0.00 C ATOM 1142 CD1 ILE A 73 -10.253 -2.443 -3.916 1.00 0.00 C ATOM 0 H ILE A 73 -10.579 -6.014 -2.148 1.00 0.00 H new ATOM 0 HA ILE A 73 -10.780 -3.287 -1.461 1.00 0.00 H new ATOM 0 HB ILE A 73 -12.364 -5.126 -3.288 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -9.998 -4.560 -3.868 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -11.157 -4.001 -5.057 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -13.424 -3.131 -4.257 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -13.890 -3.371 -2.557 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -12.691 -2.126 -2.984 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -9.447 -2.305 -4.637 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -11.046 -1.722 -4.116 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -9.869 -2.290 -2.908 1.00 0.00 H new ATOM 1154 N LEU A 74 -12.716 -2.963 0.027 1.00 0.00 N ATOM 1155 CA LEU A 74 -13.764 -2.778 1.019 1.00 0.00 C ATOM 1156 C LEU A 74 -15.075 -2.395 0.351 1.00 0.00 C ATOM 1157 O LEU A 74 -15.530 -1.254 0.442 1.00 0.00 O ATOM 1158 CB LEU A 74 -13.355 -1.721 2.045 1.00 0.00 C ATOM 1159 CG LEU A 74 -12.165 -2.113 2.920 1.00 0.00 C ATOM 1160 CD1 LEU A 74 -11.824 -0.992 3.895 1.00 0.00 C ATOM 1161 CD2 LEU A 74 -12.473 -3.405 3.667 1.00 0.00 C ATOM 0 H LEU A 74 -12.122 -2.146 -0.116 1.00 0.00 H new ATOM 0 HA LEU A 74 -13.910 -3.724 1.541 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -13.114 -0.797 1.519 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -14.209 -1.509 2.689 1.00 0.00 H new ATOM 0 HG LEU A 74 -11.297 -2.278 2.281 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -10.974 -1.290 4.509 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -11.571 -0.090 3.338 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -12.683 -0.793 4.536 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -11.620 -3.678 4.289 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -13.350 -3.260 4.298 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -12.669 -4.202 2.950 1.00 0.00 H new ATOM 1173 N ALA A 75 -15.653 -3.363 -0.345 1.00 0.00 N ATOM 1174 CA ALA A 75 -16.928 -3.193 -1.029 1.00 0.00 C ATOM 1175 C ALA A 75 -17.418 -4.536 -1.547 1.00 0.00 C ATOM 1176 O ALA A 75 -16.952 -5.024 -2.576 1.00 0.00 O ATOM 1177 CB ALA A 75 -16.807 -2.196 -2.179 1.00 0.00 C ATOM 0 H ALA A 75 -15.249 -4.294 -0.452 1.00 0.00 H new ATOM 0 HA ALA A 75 -17.650 -2.797 -0.316 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -17.774 -2.089 -2.671 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -16.489 -1.229 -1.790 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -16.072 -2.557 -2.898 1.00 0.00 H new ATOM 1183 N GLY A 76 -18.331 -5.147 -0.810 1.00 0.00 N ATOM 1184 CA GLY A 76 -18.864 -6.434 -1.210 1.00 0.00 C ATOM 1185 C GLY A 76 -18.729 -7.473 -0.118 1.00 0.00 C ATOM 1186 O GLY A 76 -18.469 -8.645 -0.394 1.00 0.00 O ATOM 0 H GLY A 76 -18.714 -4.775 0.059 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -19.915 -6.323 -1.476 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -18.344 -6.779 -2.104 1.00 0.00 H new ATOM 1190 N ASP A 77 -18.890 -7.036 1.121 1.00 0.00 N ATOM 1191 CA ASP A 77 -18.829 -7.925 2.270 1.00 0.00 C ATOM 1192 C ASP A 77 -19.853 -7.488 3.308 1.00 0.00 C ATOM 1193 O ASP A 77 -19.650 -6.499 4.015 1.00 0.00 O ATOM 1194 CB ASP A 77 -17.421 -7.919 2.876 1.00 0.00 C ATOM 1195 CG ASP A 77 -17.262 -8.923 4.001 1.00 0.00 C ATOM 1196 OD1 ASP A 77 -17.030 -10.116 3.710 1.00 0.00 O ATOM 1197 OD2 ASP A 77 -17.354 -8.527 5.180 1.00 0.00 O ATOM 0 H ASP A 77 -19.066 -6.060 1.358 1.00 0.00 H new ATOM 0 HA ASP A 77 -19.058 -8.940 1.947 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -16.693 -8.137 2.095 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -17.196 -6.921 3.251 1.00 0.00 H new ATOM 1202 N GLU A 78 -20.969 -8.199 3.364 1.00 0.00 N ATOM 1203 CA GLU A 78 -22.043 -7.866 4.289 1.00 0.00 C ATOM 1204 C GLU A 78 -21.680 -8.269 5.715 1.00 0.00 C ATOM 1205 O GLU A 78 -20.920 -9.217 5.934 1.00 0.00 O ATOM 1206 CB GLU A 78 -23.349 -8.528 3.837 1.00 0.00 C ATOM 1207 CG GLU A 78 -23.267 -10.039 3.692 1.00 0.00 C ATOM 1208 CD GLU A 78 -24.333 -10.582 2.766 1.00 0.00 C ATOM 1209 OE1 GLU A 78 -25.482 -10.778 3.213 1.00 0.00 O ATOM 1210 OE2 GLU A 78 -24.031 -10.793 1.572 1.00 0.00 O ATOM 0 H GLU A 78 -21.155 -9.013 2.778 1.00 0.00 H new ATOM 0 HA GLU A 78 -22.187 -6.786 4.284 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -24.133 -8.286 4.555 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -23.648 -8.099 2.881 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -22.283 -10.313 3.311 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -23.370 -10.503 4.673 1.00 0.00 H new ATOM 1217 N GLY A 79 -22.214 -7.536 6.682 1.00 0.00 N ATOM 1218 CA GLY A 79 -21.849 -7.751 8.067 1.00 0.00 C ATOM 1219 C GLY A 79 -20.785 -6.768 8.504 1.00 0.00 C ATOM 1220 O GLY A 79 -20.170 -6.916 9.564 1.00 0.00 O ATOM 0 H GLY A 79 -22.896 -6.793 6.531 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -22.730 -7.645 8.700 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -21.484 -8.770 8.197 1.00 0.00 H new ATOM 1224 N HIS A 80 -20.570 -5.763 7.668 1.00 0.00 N ATOM 1225 CA HIS A 80 -19.560 -4.746 7.914 1.00 0.00 C ATOM 1226 C HIS A 80 -20.086 -3.687 8.882 1.00 0.00 C ATOM 1227 O HIS A 80 -21.295 -3.483 8.987 1.00 0.00 O ATOM 1228 CB HIS A 80 -19.144 -4.094 6.585 1.00 0.00 C ATOM 1229 CG HIS A 80 -20.235 -3.298 5.921 1.00 0.00 C ATOM 1230 ND1 HIS A 80 -21.294 -3.906 5.289 1.00 0.00 N ATOM 1231 CD2 HIS A 80 -20.377 -1.954 5.821 1.00 0.00 C ATOM 1232 CE1 HIS A 80 -22.050 -2.925 4.823 1.00 0.00 C ATOM 1233 NE2 HIS A 80 -21.534 -1.725 5.122 1.00 0.00 N ATOM 0 H HIS A 80 -21.091 -5.630 6.801 1.00 0.00 H new ATOM 0 HA HIS A 80 -18.689 -5.220 8.367 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -18.291 -3.440 6.765 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -18.809 -4.873 5.900 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -19.706 -1.206 6.217 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -22.967 -3.073 4.272 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -21.927 -0.816 4.877 1.00 0.00 H new ATOM 1241 N PRO A 81 -19.188 -3.009 9.611 1.00 0.00 N ATOM 1242 CA PRO A 81 -19.566 -1.916 10.510 1.00 0.00 C ATOM 1243 C PRO A 81 -20.128 -0.725 9.743 1.00 0.00 C ATOM 1244 O PRO A 81 -19.462 -0.171 8.863 1.00 0.00 O ATOM 1245 CB PRO A 81 -18.251 -1.527 11.199 1.00 0.00 C ATOM 1246 CG PRO A 81 -17.317 -2.658 10.941 1.00 0.00 C ATOM 1247 CD PRO A 81 -17.739 -3.254 9.629 1.00 0.00 C ATOM 0 HA PRO A 81 -20.346 -2.218 11.209 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -17.858 -0.594 10.796 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -18.398 -1.376 12.268 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -16.285 -2.309 10.897 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -17.370 -3.397 11.740 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -17.237 -2.776 8.788 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -17.508 -4.318 9.575 1.00 0.00 H new ATOM 1255 N HIS A 82 -21.356 -0.343 10.063 1.00 0.00 N ATOM 1256 CA HIS A 82 -21.994 0.785 9.405 1.00 0.00 C ATOM 1257 C HIS A 82 -22.801 1.597 10.410 1.00 0.00 C ATOM 1258 O HIS A 82 -23.922 1.231 10.776 1.00 0.00 O ATOM 1259 CB HIS A 82 -22.889 0.303 8.253 1.00 0.00 C ATOM 1260 CG HIS A 82 -23.566 1.410 7.500 1.00 0.00 C ATOM 1261 ND1 HIS A 82 -22.966 2.024 6.427 1.00 0.00 N ATOM 1262 CD2 HIS A 82 -24.779 1.973 7.706 1.00 0.00 C ATOM 1263 CE1 HIS A 82 -23.822 2.942 6.010 1.00 0.00 C ATOM 1264 NE2 HIS A 82 -24.932 2.946 6.756 1.00 0.00 N ATOM 0 H HIS A 82 -21.929 -0.798 10.774 1.00 0.00 H new ATOM 0 HA HIS A 82 -21.218 1.427 8.987 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -22.285 -0.279 7.557 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -23.649 -0.368 8.654 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -25.490 1.706 8.473 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -23.647 3.603 5.174 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -25.739 3.558 6.639 1.00 0.00 H new ATOM 1272 N GLY A 83 -22.211 2.688 10.871 1.00 0.00 N ATOM 1273 CA GLY A 83 -22.882 3.565 11.808 1.00 0.00 C ATOM 1274 C GLY A 83 -22.200 4.911 11.903 1.00 0.00 C ATOM 1275 O GLY A 83 -22.363 5.636 12.885 1.00 0.00 O ATOM 0 H GLY A 83 -21.270 2.984 10.610 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -23.918 3.703 11.499 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -22.903 3.098 12.792 1.00 0.00 H new ATOM 1279 N TRP A 84 -21.442 5.247 10.870 1.00 0.00 N ATOM 1280 CA TRP A 84 -20.663 6.472 10.855 1.00 0.00 C ATOM 1281 C TRP A 84 -20.845 7.172 9.509 1.00 0.00 C ATOM 1282 O TRP A 84 -20.984 6.506 8.478 1.00 0.00 O ATOM 1283 CB TRP A 84 -19.185 6.126 11.099 1.00 0.00 C ATOM 1284 CG TRP A 84 -18.316 7.296 11.449 1.00 0.00 C ATOM 1285 CD1 TRP A 84 -17.450 7.953 10.621 1.00 0.00 C ATOM 1286 CD2 TRP A 84 -18.215 7.936 12.726 1.00 0.00 C ATOM 1287 NE1 TRP A 84 -16.822 8.966 11.307 1.00 0.00 N ATOM 1288 CE2 TRP A 84 -17.275 8.976 12.600 1.00 0.00 C ATOM 1289 CE3 TRP A 84 -18.834 7.731 13.964 1.00 0.00 C ATOM 1290 CZ2 TRP A 84 -16.938 9.806 13.666 1.00 0.00 C ATOM 1291 CZ3 TRP A 84 -18.498 8.557 15.019 1.00 0.00 C ATOM 1292 CH2 TRP A 84 -17.559 9.584 14.865 1.00 0.00 C ATOM 0 H TRP A 84 -21.351 4.682 10.026 1.00 0.00 H new ATOM 0 HA TRP A 84 -21.001 7.147 11.642 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -19.126 5.393 11.904 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -18.785 5.649 10.204 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -17.283 7.712 9.581 1.00 0.00 H new ATOM 0 HE1 TRP A 84 -16.131 9.606 10.916 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -19.560 6.942 14.092 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -16.212 10.597 13.551 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -18.968 8.408 15.980 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -17.320 10.214 15.709 1.00 0.00 H new ATOM 1303 N PRO A 85 -20.881 8.519 9.503 1.00 0.00 N ATOM 1304 CA PRO A 85 -21.002 9.311 8.269 1.00 0.00 C ATOM 1305 C PRO A 85 -19.946 8.951 7.219 1.00 0.00 C ATOM 1306 O PRO A 85 -18.912 8.351 7.533 1.00 0.00 O ATOM 1307 CB PRO A 85 -20.800 10.750 8.751 1.00 0.00 C ATOM 1308 CG PRO A 85 -21.227 10.733 10.176 1.00 0.00 C ATOM 1309 CD PRO A 85 -20.841 9.380 10.702 1.00 0.00 C ATOM 0 HA PRO A 85 -21.957 9.135 7.774 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -19.759 11.058 8.653 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -21.396 11.451 8.167 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -20.737 11.526 10.741 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -22.301 10.895 10.264 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -19.849 9.393 11.154 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -21.535 9.034 11.468 1.00 0.00 H new ATOM 1317 N GLY A 86 -20.214 9.331 5.974 1.00 0.00 N ATOM 1318 CA GLY A 86 -19.320 9.004 4.882 1.00 0.00 C ATOM 1319 C GLY A 86 -18.097 9.897 4.839 1.00 0.00 C ATOM 1320 O GLY A 86 -18.007 10.881 5.575 1.00 0.00 O ATOM 0 H GLY A 86 -21.041 9.863 5.702 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -19.003 7.965 4.976 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -19.860 9.088 3.939 1.00 0.00 H new ATOM 1324 N PHE A 87 -17.162 9.562 3.965 1.00 0.00 N ATOM 1325 CA PHE A 87 -15.925 10.311 3.844 1.00 0.00 C ATOM 1326 C PHE A 87 -15.853 11.001 2.484 1.00 0.00 C ATOM 1327 O PHE A 87 -16.554 10.602 1.550 1.00 0.00 O ATOM 1328 CB PHE A 87 -14.725 9.373 4.038 1.00 0.00 C ATOM 1329 CG PHE A 87 -13.389 10.062 3.984 1.00 0.00 C ATOM 1330 CD1 PHE A 87 -12.976 10.883 5.020 1.00 0.00 C ATOM 1331 CD2 PHE A 87 -12.554 9.898 2.890 1.00 0.00 C ATOM 1332 CE1 PHE A 87 -11.754 11.525 4.967 1.00 0.00 C ATOM 1333 CE2 PHE A 87 -11.333 10.539 2.831 1.00 0.00 C ATOM 1334 CZ PHE A 87 -10.934 11.353 3.871 1.00 0.00 C ATOM 0 H PHE A 87 -17.239 8.771 3.326 1.00 0.00 H new ATOM 0 HA PHE A 87 -15.898 11.078 4.618 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -14.823 8.870 5.000 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -14.754 8.600 3.270 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -13.616 11.023 5.879 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -12.862 9.261 2.074 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -11.441 12.161 5.782 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -10.692 10.404 1.973 1.00 0.00 H new ATOM 0 HZ PHE A 87 -9.979 11.856 3.827 1.00 0.00 H new ATOM 1344 N ARG A 88 -14.995 12.022 2.397 1.00 0.00 N ATOM 1345 CA ARG A 88 -14.781 12.809 1.178 1.00 0.00 C ATOM 1346 C ARG A 88 -15.930 13.783 0.945 1.00 0.00 C ATOM 1347 O ARG A 88 -17.102 13.416 1.002 1.00 0.00 O ATOM 1348 CB ARG A 88 -14.578 11.912 -0.049 1.00 0.00 C ATOM 1349 CG ARG A 88 -14.114 12.666 -1.283 1.00 0.00 C ATOM 1350 CD ARG A 88 -13.894 11.729 -2.456 1.00 0.00 C ATOM 1351 NE ARG A 88 -13.182 12.385 -3.551 1.00 0.00 N ATOM 1352 CZ ARG A 88 -13.275 12.023 -4.829 1.00 0.00 C ATOM 1353 NH1 ARG A 88 -14.077 11.028 -5.194 1.00 0.00 N ATOM 1354 NH2 ARG A 88 -12.564 12.661 -5.750 1.00 0.00 N ATOM 0 H ARG A 88 -14.421 12.330 3.182 1.00 0.00 H new ATOM 0 HA ARG A 88 -13.867 13.384 1.323 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -13.846 11.141 0.192 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -15.515 11.403 -0.275 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -14.855 13.419 -1.551 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -13.188 13.196 -1.060 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -13.328 10.859 -2.124 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -14.856 11.365 -2.815 1.00 0.00 H new ATOM 0 HE ARG A 88 -12.574 13.171 -3.321 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -14.628 10.534 -4.492 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -14.141 10.758 -6.176 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -11.948 13.427 -5.478 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -12.634 12.385 -6.730 1.00 0.00 H new ATOM 1368 N ARG A 89 -15.574 15.033 0.691 1.00 0.00 N ATOM 1369 CA ARG A 89 -16.553 16.091 0.498 1.00 0.00 C ATOM 1370 C ARG A 89 -16.910 16.209 -0.981 1.00 0.00 C ATOM 1371 O ARG A 89 -16.201 15.681 -1.839 1.00 0.00 O ATOM 1372 CB ARG A 89 -15.978 17.412 1.020 1.00 0.00 C ATOM 1373 CG ARG A 89 -17.003 18.514 1.220 1.00 0.00 C ATOM 1374 CD ARG A 89 -16.357 19.765 1.798 1.00 0.00 C ATOM 1375 NE ARG A 89 -15.637 19.487 3.043 1.00 0.00 N ATOM 1376 CZ ARG A 89 -15.756 20.214 4.156 1.00 0.00 C ATOM 1377 NH1 ARG A 89 -16.560 21.271 4.186 1.00 0.00 N ATOM 1378 NH2 ARG A 89 -15.064 19.888 5.238 1.00 0.00 N ATOM 0 H ARG A 89 -14.605 15.341 0.613 1.00 0.00 H new ATOM 0 HA ARG A 89 -17.462 15.855 1.051 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -15.476 17.224 1.969 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -15.218 17.763 0.322 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -17.476 18.752 0.267 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -17.790 18.166 1.888 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -15.667 20.187 1.067 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -17.124 20.516 1.983 1.00 0.00 H new ATOM 0 HE ARG A 89 -15.004 18.687 3.060 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -17.091 21.531 3.355 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -16.646 21.822 5.040 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -14.440 19.081 5.220 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -15.155 20.444 6.088 1.00 0.00 H new ATOM 1392 N ARG A 90 -18.012 16.885 -1.279 1.00 0.00 N ATOM 1393 CA ARG A 90 -18.414 17.106 -2.659 1.00 0.00 C ATOM 1394 C ARG A 90 -17.526 18.180 -3.287 1.00 0.00 C ATOM 1395 O ARG A 90 -17.673 19.372 -3.009 1.00 0.00 O ATOM 1396 CB ARG A 90 -19.901 17.495 -2.724 1.00 0.00 C ATOM 1397 CG ARG A 90 -20.490 17.546 -4.132 1.00 0.00 C ATOM 1398 CD ARG A 90 -20.183 18.863 -4.829 1.00 0.00 C ATOM 1399 NE ARG A 90 -20.713 18.912 -6.191 1.00 0.00 N ATOM 1400 CZ ARG A 90 -20.936 20.044 -6.853 1.00 0.00 C ATOM 1401 NH1 ARG A 90 -20.759 21.209 -6.242 1.00 0.00 N ATOM 1402 NH2 ARG A 90 -21.359 20.008 -8.112 1.00 0.00 N ATOM 0 H ARG A 90 -18.641 17.288 -0.585 1.00 0.00 H new ATOM 0 HA ARG A 90 -18.289 16.185 -3.228 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -20.474 16.782 -2.131 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -20.027 18.472 -2.257 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -20.091 16.721 -4.722 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -21.570 17.407 -4.079 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -20.604 19.684 -4.249 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -19.104 19.013 -4.857 1.00 0.00 H new ATOM 0 HE ARG A 90 -20.923 18.030 -6.659 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -20.453 21.233 -5.269 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -20.929 22.080 -6.745 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -21.513 19.111 -8.573 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -21.529 20.877 -8.618 1.00 0.00 H new ATOM 1416 N HIS A 91 -16.585 17.744 -4.108 1.00 0.00 N ATOM 1417 CA HIS A 91 -15.663 18.655 -4.772 1.00 0.00 C ATOM 1418 C HIS A 91 -16.032 18.837 -6.234 1.00 0.00 C ATOM 1419 O HIS A 91 -16.916 18.151 -6.753 1.00 0.00 O ATOM 1420 CB HIS A 91 -14.226 18.144 -4.669 1.00 0.00 C ATOM 1421 CG HIS A 91 -13.611 18.340 -3.318 1.00 0.00 C ATOM 1422 ND1 HIS A 91 -12.759 19.390 -3.065 1.00 0.00 N ATOM 1423 CD2 HIS A 91 -13.749 17.602 -2.194 1.00 0.00 C ATOM 1424 CE1 HIS A 91 -12.402 19.264 -1.797 1.00 0.00 C ATOM 1425 NE2 HIS A 91 -12.976 18.195 -1.230 1.00 0.00 N ATOM 0 H HIS A 91 -16.438 16.760 -4.332 1.00 0.00 H new ATOM 0 HA HIS A 91 -15.736 19.619 -4.268 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -14.209 17.082 -4.915 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -13.615 18.654 -5.414 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -14.353 16.714 -2.078 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -11.732 19.938 -1.284 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -12.860 17.882 -0.266 1.00 0.00 H new ATOM 1433 N ARG A 92 -15.350 19.769 -6.889 1.00 0.00 N ATOM 1434 CA ARG A 92 -15.536 20.006 -8.313 1.00 0.00 C ATOM 1435 C ARG A 92 -15.173 18.766 -9.118 1.00 0.00 C ATOM 1436 O ARG A 92 -14.297 17.991 -8.728 1.00 0.00 O ATOM 1437 CB ARG A 92 -14.690 21.193 -8.774 1.00 0.00 C ATOM 1438 CG ARG A 92 -15.325 22.545 -8.491 1.00 0.00 C ATOM 1439 CD ARG A 92 -14.405 23.681 -8.899 1.00 0.00 C ATOM 1440 NE ARG A 92 -15.129 24.936 -9.088 1.00 0.00 N ATOM 1441 CZ ARG A 92 -14.541 26.118 -9.256 1.00 0.00 C ATOM 1442 NH1 ARG A 92 -13.218 26.235 -9.161 1.00 0.00 N ATOM 1443 NH2 ARG A 92 -15.283 27.186 -9.512 1.00 0.00 N ATOM 0 H ARG A 92 -14.658 20.377 -6.451 1.00 0.00 H new ATOM 0 HA ARG A 92 -16.588 20.236 -8.482 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -13.719 21.148 -8.282 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -14.509 21.104 -9.845 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -16.269 22.626 -9.031 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -15.557 22.625 -7.429 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -13.638 23.817 -8.136 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -13.892 23.417 -9.824 1.00 0.00 H new ATOM 0 HE ARG A 92 -16.148 24.904 -9.091 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -12.647 25.415 -8.958 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -12.776 27.145 -9.291 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -16.297 27.098 -9.579 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -14.840 28.096 -9.642 1.00 0.00 H new ATOM 1457 N PHE A 93 -15.850 18.585 -10.237 1.00 0.00 N ATOM 1458 CA PHE A 93 -15.641 17.419 -11.076 1.00 0.00 C ATOM 1459 C PHE A 93 -14.459 17.638 -12.012 1.00 0.00 C ATOM 1460 O PHE A 93 -14.338 18.693 -12.640 1.00 0.00 O ATOM 1461 CB PHE A 93 -16.910 17.121 -11.879 1.00 0.00 C ATOM 1462 CG PHE A 93 -16.832 15.861 -12.696 1.00 0.00 C ATOM 1463 CD1 PHE A 93 -16.942 14.621 -12.089 1.00 0.00 C ATOM 1464 CD2 PHE A 93 -16.656 15.920 -14.070 1.00 0.00 C ATOM 1465 CE1 PHE A 93 -16.880 13.460 -12.838 1.00 0.00 C ATOM 1466 CE2 PHE A 93 -16.590 14.764 -14.822 1.00 0.00 C ATOM 1467 CZ PHE A 93 -16.703 13.532 -14.206 1.00 0.00 C ATOM 0 H PHE A 93 -16.554 19.235 -10.588 1.00 0.00 H new ATOM 0 HA PHE A 93 -15.417 16.564 -10.438 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -17.753 17.046 -11.193 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -17.114 17.961 -12.543 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -17.078 14.560 -11.019 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -16.570 16.880 -14.557 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -16.970 12.499 -12.354 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -16.450 14.822 -15.891 1.00 0.00 H new ATOM 0 HZ PHE A 93 -16.653 12.627 -14.793 1.00 0.00 H new ATOM 1477 N GLY A 94 -13.576 16.650 -12.075 1.00 0.00 N ATOM 1478 CA GLY A 94 -12.454 16.708 -12.991 1.00 0.00 C ATOM 1479 C GLY A 94 -12.870 16.432 -14.421 1.00 0.00 C ATOM 1480 O GLY A 94 -12.935 15.278 -14.848 1.00 0.00 O ATOM 0 H GLY A 94 -13.618 15.805 -11.505 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -11.990 17.692 -12.933 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -11.700 15.982 -12.687 1.00 0.00 H new ATOM 1484 N LYS A 95 -13.162 17.495 -15.155 1.00 0.00 N ATOM 1485 CA LYS A 95 -13.590 17.376 -16.540 1.00 0.00 C ATOM 1486 C LYS A 95 -12.386 17.248 -17.462 1.00 0.00 C ATOM 1487 O LYS A 95 -11.306 17.762 -17.164 1.00 0.00 O ATOM 1488 CB LYS A 95 -14.424 18.598 -16.938 1.00 0.00 C ATOM 1489 CG LYS A 95 -13.666 19.910 -16.808 1.00 0.00 C ATOM 1490 CD LYS A 95 -14.536 21.106 -17.144 1.00 0.00 C ATOM 1491 CE LYS A 95 -13.797 22.414 -16.906 1.00 0.00 C ATOM 1492 NZ LYS A 95 -13.415 22.590 -15.478 1.00 0.00 N ATOM 0 H LYS A 95 -13.110 18.454 -14.812 1.00 0.00 H new ATOM 0 HA LYS A 95 -14.201 16.478 -16.638 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -14.760 18.481 -17.968 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -15.317 18.639 -16.315 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -13.289 20.011 -15.790 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -12.800 19.895 -17.469 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -14.850 21.048 -18.186 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -15.441 21.082 -16.537 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -12.901 22.442 -17.526 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -14.427 23.247 -17.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -13.182 23.588 -15.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -14.209 22.307 -14.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -12.587 21.998 -15.265 1.00 0.00 H new ATOM 1506 N ARG A 96 -12.572 16.561 -18.574 1.00 0.00 N ATOM 1507 CA ARG A 96 -11.521 16.425 -19.567 1.00 0.00 C ATOM 1508 C ARG A 96 -12.025 16.892 -20.929 1.00 0.00 C ATOM 1509 O ARG A 96 -12.966 16.324 -21.490 1.00 0.00 O ATOM 1510 CB ARG A 96 -11.006 14.980 -19.634 1.00 0.00 C ATOM 1511 CG ARG A 96 -12.070 13.936 -19.943 1.00 0.00 C ATOM 1512 CD ARG A 96 -11.464 12.548 -20.041 1.00 0.00 C ATOM 1513 NE ARG A 96 -12.453 11.537 -20.411 1.00 0.00 N ATOM 1514 CZ ARG A 96 -12.166 10.248 -20.575 1.00 0.00 C ATOM 1515 NH1 ARG A 96 -10.921 9.818 -20.405 1.00 0.00 N ATOM 1516 NH2 ARG A 96 -13.118 9.390 -20.911 1.00 0.00 N ATOM 0 H ARG A 96 -13.443 16.087 -18.813 1.00 0.00 H new ATOM 0 HA ARG A 96 -10.683 17.056 -19.272 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -10.228 14.922 -20.395 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -10.539 14.731 -18.681 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -12.833 13.949 -19.164 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -12.567 14.186 -20.880 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -10.661 12.555 -20.779 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -11.015 12.281 -19.084 1.00 0.00 H new ATOM 0 HE ARG A 96 -13.418 11.837 -20.551 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -10.185 10.476 -20.149 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -10.701 8.830 -20.531 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -14.075 9.717 -21.045 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -12.894 8.403 -21.036 1.00 0.00 H new ATOM 1530 N ALA A 97 -11.418 17.949 -21.442 1.00 0.00 N ATOM 1531 CA ALA A 97 -11.823 18.506 -22.720 1.00 0.00 C ATOM 1532 C ALA A 97 -11.274 17.670 -23.867 1.00 0.00 C ATOM 1533 O ALA A 97 -10.109 17.267 -23.852 1.00 0.00 O ATOM 1534 CB ALA A 97 -11.363 19.947 -22.840 1.00 0.00 C ATOM 0 H ALA A 97 -10.644 18.438 -20.993 1.00 0.00 H new ATOM 0 HA ALA A 97 -12.911 18.487 -22.775 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -11.675 20.349 -23.804 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -11.807 20.538 -22.039 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -10.277 19.990 -22.763 1.00 0.00 H new ATOM 1540 N LEU A 98 -12.115 17.414 -24.855 1.00 0.00 N ATOM 1541 CA LEU A 98 -11.731 16.592 -25.989 1.00 0.00 C ATOM 1542 C LEU A 98 -10.967 17.419 -27.014 1.00 0.00 C ATOM 1543 O LEU A 98 -11.487 18.406 -27.538 1.00 0.00 O ATOM 1544 CB LEU A 98 -12.969 15.969 -26.639 1.00 0.00 C ATOM 1545 CG LEU A 98 -13.774 15.022 -25.744 1.00 0.00 C ATOM 1546 CD1 LEU A 98 -14.989 14.494 -26.490 1.00 0.00 C ATOM 1547 CD2 LEU A 98 -12.902 13.868 -25.263 1.00 0.00 C ATOM 0 H LEU A 98 -13.072 17.765 -24.894 1.00 0.00 H new ATOM 0 HA LEU A 98 -11.082 15.794 -25.629 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -13.626 16.772 -26.973 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -12.655 15.422 -27.528 1.00 0.00 H new ATOM 0 HG LEU A 98 -14.117 15.580 -24.872 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -15.551 13.822 -25.841 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -15.625 15.328 -26.787 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -14.664 13.952 -27.378 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -13.492 13.206 -24.629 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -12.530 13.310 -26.122 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -12.060 14.261 -24.693 1.00 0.00 H new ATOM 1559 N GLU A 99 -9.729 17.026 -27.274 1.00 0.00 N ATOM 1560 CA GLU A 99 -8.908 17.688 -28.273 1.00 0.00 C ATOM 1561 C GLU A 99 -8.807 16.816 -29.521 1.00 0.00 C ATOM 1562 O GLU A 99 -7.926 15.961 -29.631 1.00 0.00 O ATOM 1563 CB GLU A 99 -7.517 17.989 -27.707 1.00 0.00 C ATOM 1564 CG GLU A 99 -6.628 18.785 -28.649 1.00 0.00 C ATOM 1565 CD GLU A 99 -5.249 19.045 -28.077 1.00 0.00 C ATOM 1566 OE1 GLU A 99 -5.095 20.007 -27.299 1.00 0.00 O ATOM 1567 OE2 GLU A 99 -4.310 18.297 -28.409 1.00 0.00 O ATOM 0 H GLU A 99 -9.270 16.247 -26.803 1.00 0.00 H new ATOM 0 HA GLU A 99 -9.374 18.635 -28.546 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -7.627 18.541 -26.774 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -7.023 17.048 -27.465 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -6.530 18.245 -29.591 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -7.108 19.737 -28.876 1.00 0.00 H new ATOM 1574 N HIS A 100 -9.744 17.007 -30.437 1.00 0.00 N ATOM 1575 CA HIS A 100 -9.779 16.232 -31.670 1.00 0.00 C ATOM 1576 C HIS A 100 -9.410 17.106 -32.858 1.00 0.00 C ATOM 1577 O HIS A 100 -8.683 16.671 -33.752 1.00 0.00 O ATOM 1578 CB HIS A 100 -11.168 15.622 -31.897 1.00 0.00 C ATOM 1579 CG HIS A 100 -11.511 14.494 -30.969 1.00 0.00 C ATOM 1580 ND1 HIS A 100 -11.649 13.207 -31.428 1.00 0.00 N ATOM 1581 CD2 HIS A 100 -11.754 14.515 -29.636 1.00 0.00 C ATOM 1582 CE1 HIS A 100 -11.971 12.477 -30.376 1.00 0.00 C ATOM 1583 NE2 HIS A 100 -12.047 13.225 -29.267 1.00 0.00 N ATOM 0 H HIS A 100 -10.493 17.694 -30.350 1.00 0.00 H new ATOM 0 HA HIS A 100 -9.052 15.425 -31.576 1.00 0.00 H new ATOM 0 HB2 HIS A 100 -11.917 16.406 -31.788 1.00 0.00 H new ATOM 0 HB3 HIS A 100 -11.230 15.262 -32.924 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -11.723 15.379 -28.989 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -12.150 11.412 -30.406 1.00 0.00 H new ATOM 0 HE2 HIS A 100 -12.278 12.899 -28.329 1.00 0.00 H new ATOM 1591 N HIS A 101 -9.921 18.342 -32.847 1.00 0.00 N ATOM 1592 CA HIS A 101 -9.701 19.309 -33.929 1.00 0.00 C ATOM 1593 C HIS A 101 -10.427 18.886 -35.207 1.00 0.00 C ATOM 1594 O HIS A 101 -10.747 17.712 -35.403 1.00 0.00 O ATOM 1595 CB HIS A 101 -8.204 19.510 -34.211 1.00 0.00 C ATOM 1596 CG HIS A 101 -7.441 20.104 -33.065 1.00 0.00 C ATOM 1597 ND1 HIS A 101 -6.166 19.691 -32.762 1.00 0.00 N ATOM 1598 CD2 HIS A 101 -7.804 21.084 -32.202 1.00 0.00 C ATOM 1599 CE1 HIS A 101 -5.784 20.425 -31.729 1.00 0.00 C ATOM 1600 NE2 HIS A 101 -6.744 21.280 -31.355 1.00 0.00 N ATOM 0 H HIS A 101 -10.499 18.701 -32.087 1.00 0.00 H new ATOM 0 HA HIS A 101 -10.115 20.261 -33.596 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -7.761 18.548 -34.469 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -8.093 20.156 -35.082 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -8.747 21.610 -32.185 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -4.820 20.344 -31.249 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -6.696 21.949 -30.587 1.00 0.00 H new ATOM 1608 N HIS A 102 -10.695 19.844 -36.080 1.00 0.00 N ATOM 1609 CA HIS A 102 -11.382 19.550 -37.329 1.00 0.00 C ATOM 1610 C HIS A 102 -10.397 19.170 -38.425 1.00 0.00 C ATOM 1611 O HIS A 102 -10.317 19.824 -39.465 1.00 0.00 O ATOM 1612 CB HIS A 102 -12.261 20.725 -37.766 1.00 0.00 C ATOM 1613 CG HIS A 102 -13.567 20.780 -37.036 1.00 0.00 C ATOM 1614 ND1 HIS A 102 -13.829 21.745 -36.096 1.00 0.00 N ATOM 1615 CD2 HIS A 102 -14.639 19.960 -37.141 1.00 0.00 C ATOM 1616 CE1 HIS A 102 -15.048 21.492 -35.650 1.00 0.00 C ATOM 1617 NE2 HIS A 102 -15.579 20.418 -36.254 1.00 0.00 N ATOM 0 H HIS A 102 -10.450 20.825 -35.949 1.00 0.00 H new ATOM 0 HA HIS A 102 -12.032 18.692 -37.153 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -11.720 21.657 -37.603 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -12.452 20.651 -38.837 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -14.735 19.108 -37.798 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -15.553 22.076 -34.895 1.00 0.00 H new ATOM 0 HE2 HIS A 102 -16.503 20.020 -36.086 1.00 0.00 H new ATOM 1625 N HIS A 103 -9.634 18.116 -38.173 1.00 0.00 N ATOM 1626 CA HIS A 103 -8.773 17.536 -39.191 1.00 0.00 C ATOM 1627 C HIS A 103 -9.603 16.602 -40.061 1.00 0.00 C ATOM 1628 O HIS A 103 -9.317 16.407 -41.243 1.00 0.00 O ATOM 1629 CB HIS A 103 -7.607 16.781 -38.535 1.00 0.00 C ATOM 1630 CG HIS A 103 -6.635 16.182 -39.509 1.00 0.00 C ATOM 1631 ND1 HIS A 103 -6.361 14.835 -39.517 1.00 0.00 N ATOM 1632 CD2 HIS A 103 -5.891 16.788 -40.467 1.00 0.00 C ATOM 1633 CE1 HIS A 103 -5.467 14.653 -40.474 1.00 0.00 C ATOM 1634 NE2 HIS A 103 -5.152 15.807 -41.076 1.00 0.00 N ATOM 0 H HIS A 103 -9.594 17.645 -37.269 1.00 0.00 H new ATOM 0 HA HIS A 103 -8.350 18.325 -39.812 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -7.070 17.465 -37.878 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -8.011 15.987 -37.907 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -5.882 17.841 -40.705 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -5.044 13.695 -40.737 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -4.489 15.932 -41.841 1.00 0.00 H new ATOM 1642 N HIS A 104 -10.653 16.052 -39.449 1.00 0.00 N ATOM 1643 CA HIS A 104 -11.599 15.165 -40.124 1.00 0.00 C ATOM 1644 C HIS A 104 -10.903 13.875 -40.572 1.00 0.00 C ATOM 1645 O HIS A 104 -9.797 13.570 -40.125 1.00 0.00 O ATOM 1646 CB HIS A 104 -12.257 15.881 -41.315 1.00 0.00 C ATOM 1647 CG HIS A 104 -13.622 15.360 -41.654 1.00 0.00 C ATOM 1648 ND1 HIS A 104 -13.809 14.416 -42.636 1.00 0.00 N ATOM 1649 CD2 HIS A 104 -14.822 15.678 -41.113 1.00 0.00 C ATOM 1650 CE1 HIS A 104 -15.109 14.182 -42.671 1.00 0.00 C ATOM 1651 NE2 HIS A 104 -15.763 14.922 -41.765 1.00 0.00 N ATOM 0 H HIS A 104 -10.871 16.211 -38.465 1.00 0.00 H new ATOM 0 HA HIS A 104 -12.385 14.896 -39.418 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -12.329 16.946 -41.092 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -11.613 15.781 -42.188 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -15.003 16.390 -40.321 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -15.584 13.483 -43.344 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -16.768 14.923 -41.593 1.00 0.00 H new ATOM 1659 N HIS A 105 -11.554 13.115 -41.436 1.00 0.00 N ATOM 1660 CA HIS A 105 -11.005 11.855 -41.907 1.00 0.00 C ATOM 1661 C HIS A 105 -10.407 12.031 -43.292 1.00 0.00 C ATOM 1662 O HIS A 105 -11.179 12.105 -44.269 1.00 0.00 O ATOM 1663 CB HIS A 105 -12.080 10.764 -41.930 1.00 0.00 C ATOM 1664 CG HIS A 105 -12.599 10.411 -40.573 1.00 0.00 C ATOM 1665 ND1 HIS A 105 -11.981 9.465 -39.792 1.00 0.00 N ATOM 1666 CD2 HIS A 105 -13.670 10.905 -39.909 1.00 0.00 C ATOM 1667 CE1 HIS A 105 -12.685 9.406 -38.673 1.00 0.00 C ATOM 1668 NE2 HIS A 105 -13.717 10.261 -38.700 1.00 0.00 N ATOM 1669 OXT HIS A 105 -9.167 12.103 -43.400 1.00 0.00 O ATOM 0 H HIS A 105 -12.467 13.350 -41.827 1.00 0.00 H new ATOM 0 HA HIS A 105 -10.220 11.545 -41.217 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -12.910 11.096 -42.553 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -11.669 9.869 -42.397 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -14.355 11.661 -40.263 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -12.457 8.752 -37.844 1.00 0.00 H new ATOM 0 HE2 HIS A 105 -14.406 10.405 -37.962 1.00 0.00 H new TER 1677 HIS A 105