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 Set 1.1: A 54 CYS SG : rot -116:sc= -0.316! USER MOD Set 1.2: A 55 ASN : amide:sc= 0.504 K(o=0.19,f=-0.77) USER MOD Single : A 1 MET CE :methyl -146:sc= -1.67 (180deg=-2.48!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00772) USER MOD Single : A 4 SER OG : rot -88:sc= -2.32! USER MOD Single : A 7 LYS NZ :NH3+ -131:sc= 1.15 (180deg=0.645) USER MOD Single : A 15 THR OG1 : rot 180:sc=0.000772 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl 167:sc= -0.0803 (180deg=-0.429) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 147:sc=-0.000211 (180deg=-0.596) USER MOD Single : A 53 ASN : amide:sc= -0.465 K(o=-0.47,f=-6.2!) USER MOD Single : A 57 MET CE :methyl -163:sc= -0.193 (180deg=-0.704) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 MET CE :methyl 135:sc= -3.08! (180deg=-4.27!) USER MOD Single : A 64 ASN : amide:sc= -0.155 K(o=-0.15,f=-2.2) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HD1:sc= -0.0204 X(o=-0.02,f=0) USER MOD Single : A 80 HIS : no HD1:sc= -0.915 K(o=-0.91,f=-2.8!) USER MOD Single : A 82 HIS : no HD1:sc=-0.00718 X(o=-0.0072,f=-0.094) USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 95 LYS NZ :NH3+ 169:sc= -0.0165 (180deg=-0.169) USER MOD Single : A 100 HIS : no HD1:sc= -0.873 K(o=-0.87,f=-1.8!) USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=-0.037) USER MOD Single : A 102 HIS : no HD1:sc= 0.0596 K(o=0.06,f=-1.2) USER MOD Single : A 103 HIS : no HD1:sc= 0 X(o=0,f=-0.002) USER MOD Single : A 104 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 105 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.494 -10.952 -4.434 1.00 0.00 N ATOM 2 CA MET A 1 -5.646 -9.578 -4.967 1.00 0.00 C ATOM 3 C MET A 1 -4.534 -8.679 -4.438 1.00 0.00 C ATOM 4 O MET A 1 -4.343 -8.556 -3.227 1.00 0.00 O ATOM 5 CB MET A 1 -7.009 -9.007 -4.566 1.00 0.00 C ATOM 6 CG MET A 1 -7.272 -7.613 -5.102 1.00 0.00 C ATOM 7 SD MET A 1 -7.378 -7.567 -6.898 1.00 0.00 S ATOM 8 CE MET A 1 -7.780 -5.842 -7.148 1.00 0.00 C ATOM 0 H1 MET A 1 -6.258 -11.554 -4.802 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.575 -11.339 -4.730 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.542 -10.929 -3.395 1.00 0.00 H new ATOM 0 HA MET A 1 -5.581 -9.617 -6.054 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.792 -9.677 -4.922 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.078 -8.987 -3.478 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.202 -7.235 -4.678 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.476 -6.945 -4.772 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.438 -5.743 -8.011 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.283 -5.453 -6.262 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.865 -5.277 -7.323 1.00 0.00 H new ATOM 20 N LYS A 2 -3.801 -8.060 -5.349 1.00 0.00 N ATOM 21 CA LYS A 2 -2.666 -7.224 -4.989 1.00 0.00 C ATOM 22 C LYS A 2 -3.055 -5.763 -4.838 1.00 0.00 C ATOM 23 O LYS A 2 -4.059 -5.311 -5.392 1.00 0.00 O ATOM 24 CB LYS A 2 -1.571 -7.341 -6.043 1.00 0.00 C ATOM 25 CG LYS A 2 -0.559 -8.442 -5.762 1.00 0.00 C ATOM 26 CD LYS A 2 -1.209 -9.802 -5.549 1.00 0.00 C ATOM 27 CE LYS A 2 -0.200 -10.822 -5.038 1.00 0.00 C ATOM 28 NZ LYS A 2 0.868 -11.102 -6.033 1.00 0.00 N ATOM 0 H LYS A 2 -3.974 -8.122 -6.352 1.00 0.00 H new ATOM 0 HA LYS A 2 -2.301 -7.580 -4.026 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -2.033 -7.524 -7.013 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -1.046 -6.388 -6.115 1.00 0.00 H new ATOM 0 HG2 LYS A 2 0.142 -8.506 -6.594 1.00 0.00 H new ATOM 0 HG3 LYS A 2 0.021 -8.179 -4.877 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -2.028 -9.709 -4.836 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -1.641 -10.152 -6.487 1.00 0.00 H new ATOM 0 HE2 LYS A 2 0.252 -10.454 -4.117 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -0.717 -11.750 -4.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 1.512 -11.826 -5.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 0.439 -11.446 -6.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 1.401 -10.230 -6.225 1.00 0.00 H new ATOM 42 N LEU A 3 -2.243 -5.035 -4.087 1.00 0.00 N ATOM 43 CA LEU A 3 -2.419 -3.600 -3.922 1.00 0.00 C ATOM 44 C LEU A 3 -2.173 -2.886 -5.251 1.00 0.00 C ATOM 45 O LEU A 3 -2.830 -1.898 -5.570 1.00 0.00 O ATOM 46 CB LEU A 3 -1.469 -3.088 -2.833 1.00 0.00 C ATOM 47 CG LEU A 3 -1.588 -1.604 -2.484 1.00 0.00 C ATOM 48 CD1 LEU A 3 -3.025 -1.244 -2.154 1.00 0.00 C ATOM 49 CD2 LEU A 3 -0.689 -1.266 -1.310 1.00 0.00 C ATOM 0 H LEU A 3 -1.448 -5.419 -3.577 1.00 0.00 H new ATOM 0 HA LEU A 3 -3.443 -3.390 -3.613 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -1.640 -3.669 -1.927 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -0.445 -3.286 -3.150 1.00 0.00 H new ATOM 0 HG LEU A 3 -1.274 -1.024 -3.352 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -3.087 -0.184 -1.909 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -3.660 -1.455 -3.015 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -3.361 -1.834 -1.301 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -0.784 -0.206 -1.072 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -0.982 -1.860 -0.444 1.00 0.00 H new ATOM 0 HD23 LEU A 3 0.346 -1.489 -1.569 1.00 0.00 H new ATOM 61 N SER A 4 -1.236 -3.409 -6.033 1.00 0.00 N ATOM 62 CA SER A 4 -0.940 -2.850 -7.347 1.00 0.00 C ATOM 63 C SER A 4 -2.022 -3.207 -8.369 1.00 0.00 C ATOM 64 O SER A 4 -2.076 -2.629 -9.455 1.00 0.00 O ATOM 65 CB SER A 4 0.415 -3.347 -7.839 1.00 0.00 C ATOM 66 OG SER A 4 1.446 -2.963 -6.962 1.00 0.00 O ATOM 0 H SER A 4 -0.669 -4.218 -5.781 1.00 0.00 H new ATOM 0 HA SER A 4 -0.916 -1.765 -7.244 1.00 0.00 H new ATOM 0 HB2 SER A 4 0.396 -4.433 -7.929 1.00 0.00 H new ATOM 0 HB3 SER A 4 0.613 -2.948 -8.834 1.00 0.00 H new ATOM 0 HG SER A 4 1.779 -2.077 -7.217 1.00 0.00 H new ATOM 72 N GLU A 5 -2.881 -4.159 -8.020 1.00 0.00 N ATOM 73 CA GLU A 5 -3.969 -4.564 -8.904 1.00 0.00 C ATOM 74 C GLU A 5 -5.199 -3.698 -8.665 1.00 0.00 C ATOM 75 O GLU A 5 -6.212 -3.827 -9.355 1.00 0.00 O ATOM 76 CB GLU A 5 -4.313 -6.042 -8.709 1.00 0.00 C ATOM 77 CG GLU A 5 -3.190 -6.986 -9.106 1.00 0.00 C ATOM 78 CD GLU A 5 -3.580 -8.440 -8.976 1.00 0.00 C ATOM 79 OE1 GLU A 5 -4.012 -8.847 -7.880 1.00 0.00 O ATOM 80 OE2 GLU A 5 -3.468 -9.185 -9.973 1.00 0.00 O ATOM 0 H GLU A 5 -2.846 -4.663 -7.134 1.00 0.00 H new ATOM 0 HA GLU A 5 -3.638 -4.425 -9.933 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -4.567 -6.212 -7.663 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -5.201 -6.280 -9.295 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -2.897 -6.783 -10.136 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -2.318 -6.790 -8.482 1.00 0.00 H new ATOM 87 N LEU A 6 -5.101 -2.820 -7.680 1.00 0.00 N ATOM 88 CA LEU A 6 -6.167 -1.869 -7.399 1.00 0.00 C ATOM 89 C LEU A 6 -6.119 -0.700 -8.375 1.00 0.00 C ATOM 90 O LEU A 6 -5.243 -0.628 -9.243 1.00 0.00 O ATOM 91 CB LEU A 6 -6.059 -1.345 -5.965 1.00 0.00 C ATOM 92 CG LEU A 6 -6.359 -2.366 -4.870 1.00 0.00 C ATOM 93 CD1 LEU A 6 -6.195 -1.731 -3.499 1.00 0.00 C ATOM 94 CD2 LEU A 6 -7.766 -2.913 -5.033 1.00 0.00 C ATOM 0 H LEU A 6 -4.294 -2.745 -7.061 1.00 0.00 H new ATOM 0 HA LEU A 6 -7.118 -2.389 -7.517 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -5.051 -0.959 -5.812 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -6.743 -0.504 -5.851 1.00 0.00 H new ATOM 0 HG LEU A 6 -5.652 -3.191 -4.958 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -6.412 -2.470 -2.728 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -5.171 -1.375 -3.383 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -6.884 -0.892 -3.402 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -7.967 -3.640 -4.246 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -8.484 -2.096 -4.965 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.858 -3.396 -6.006 1.00 0.00 H new ATOM 106 N LYS A 7 -7.071 0.208 -8.234 1.00 0.00 N ATOM 107 CA LYS A 7 -7.133 1.392 -9.073 1.00 0.00 C ATOM 108 C LYS A 7 -7.128 2.631 -8.195 1.00 0.00 C ATOM 109 O LYS A 7 -7.447 2.553 -7.006 1.00 0.00 O ATOM 110 CB LYS A 7 -8.403 1.388 -9.926 1.00 0.00 C ATOM 111 CG LYS A 7 -8.872 -0.003 -10.311 1.00 0.00 C ATOM 112 CD LYS A 7 -10.121 0.045 -11.168 1.00 0.00 C ATOM 113 CE LYS A 7 -10.931 -1.230 -11.030 1.00 0.00 C ATOM 114 NZ LYS A 7 -11.567 -1.337 -9.689 1.00 0.00 N ATOM 0 H LYS A 7 -7.816 0.146 -7.541 1.00 0.00 H new ATOM 0 HA LYS A 7 -6.266 1.394 -9.734 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -9.200 1.892 -9.379 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -8.223 1.966 -10.833 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -8.078 -0.518 -10.852 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -9.071 -0.583 -9.410 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -10.732 0.900 -10.878 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -9.843 0.191 -12.212 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -11.701 -1.257 -11.801 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -10.284 -2.092 -11.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -11.377 -2.278 -9.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -11.175 -0.608 -9.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -12.594 -1.200 -9.780 1.00 0.00 H new ATOM 128 N ALA A 8 -6.769 3.766 -8.772 1.00 0.00 N ATOM 129 CA ALA A 8 -6.794 5.021 -8.043 1.00 0.00 C ATOM 130 C ALA A 8 -8.227 5.396 -7.694 1.00 0.00 C ATOM 131 O ALA A 8 -9.025 5.737 -8.567 1.00 0.00 O ATOM 132 CB ALA A 8 -6.126 6.120 -8.848 1.00 0.00 C ATOM 0 H ALA A 8 -6.458 3.843 -9.740 1.00 0.00 H new ATOM 0 HA ALA A 8 -6.235 4.898 -7.115 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -6.155 7.053 -8.285 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -5.089 5.847 -9.046 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -6.653 6.251 -9.793 1.00 0.00 H new ATOM 138 N GLY A 9 -8.547 5.312 -6.413 1.00 0.00 N ATOM 139 CA GLY A 9 -9.899 5.546 -5.965 1.00 0.00 C ATOM 140 C GLY A 9 -10.439 4.371 -5.177 1.00 0.00 C ATOM 141 O GLY A 9 -11.374 4.517 -4.389 1.00 0.00 O ATOM 0 H GLY A 9 -7.886 5.084 -5.670 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -9.927 6.443 -5.346 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -10.541 5.732 -6.826 1.00 0.00 H new ATOM 145 N ASP A 10 -9.842 3.203 -5.385 1.00 0.00 N ATOM 146 CA ASP A 10 -10.275 1.985 -4.707 1.00 0.00 C ATOM 147 C ASP A 10 -9.740 1.929 -3.284 1.00 0.00 C ATOM 148 O ASP A 10 -8.614 2.355 -3.010 1.00 0.00 O ATOM 149 CB ASP A 10 -9.821 0.740 -5.479 1.00 0.00 C ATOM 150 CG ASP A 10 -10.726 0.402 -6.648 1.00 0.00 C ATOM 151 OD1 ASP A 10 -11.908 0.810 -6.636 1.00 0.00 O ATOM 152 OD2 ASP A 10 -10.265 -0.284 -7.584 1.00 0.00 O ATOM 0 H ASP A 10 -9.054 3.073 -6.020 1.00 0.00 H new ATOM 0 HA ASP A 10 -11.364 2.001 -4.670 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -8.807 0.897 -5.846 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -9.785 -0.110 -4.797 1.00 0.00 H new ATOM 157 N ARG A 11 -10.562 1.419 -2.379 1.00 0.00 N ATOM 158 CA ARG A 11 -10.167 1.234 -0.993 1.00 0.00 C ATOM 159 C ARG A 11 -9.988 -0.245 -0.691 1.00 0.00 C ATOM 160 O ARG A 11 -10.686 -1.089 -1.254 1.00 0.00 O ATOM 161 CB ARG A 11 -11.215 1.835 -0.056 1.00 0.00 C ATOM 162 CG ARG A 11 -11.161 3.348 0.028 1.00 0.00 C ATOM 163 CD ARG A 11 -12.321 3.900 0.840 1.00 0.00 C ATOM 164 NE ARG A 11 -13.588 3.820 0.117 1.00 0.00 N ATOM 165 CZ ARG A 11 -14.787 3.889 0.697 1.00 0.00 C ATOM 166 NH1 ARG A 11 -14.887 4.041 2.012 1.00 0.00 N ATOM 167 NH2 ARG A 11 -15.890 3.816 -0.041 1.00 0.00 N ATOM 0 H ARG A 11 -11.516 1.124 -2.584 1.00 0.00 H new ATOM 0 HA ARG A 11 -9.218 1.746 -0.832 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -12.207 1.534 -0.393 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -11.078 1.419 0.942 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -10.219 3.655 0.481 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -11.184 3.771 -0.976 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -12.403 3.347 1.776 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -12.118 4.939 1.100 1.00 0.00 H new ATOM 0 HE ARG A 11 -13.553 3.704 -0.896 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -14.045 4.106 2.583 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -15.806 4.093 2.451 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -15.820 3.707 -1.053 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -16.806 3.869 0.404 1.00 0.00 H new ATOM 181 N ALA A 12 -9.061 -0.564 0.196 1.00 0.00 N ATOM 182 CA ALA A 12 -8.795 -1.949 0.535 1.00 0.00 C ATOM 183 C ALA A 12 -8.324 -2.092 1.976 1.00 0.00 C ATOM 184 O ALA A 12 -7.906 -1.119 2.604 1.00 0.00 O ATOM 185 CB ALA A 12 -7.757 -2.533 -0.410 1.00 0.00 C ATOM 0 H ALA A 12 -8.483 0.115 0.692 1.00 0.00 H new ATOM 0 HA ALA A 12 -9.730 -2.500 0.430 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -7.567 -3.573 -0.144 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -8.128 -2.482 -1.434 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -6.831 -1.963 -0.331 1.00 0.00 H new ATOM 191 N GLU A 13 -8.424 -3.308 2.489 1.00 0.00 N ATOM 192 CA GLU A 13 -7.890 -3.660 3.793 1.00 0.00 C ATOM 193 C GLU A 13 -6.737 -4.642 3.606 1.00 0.00 C ATOM 194 O GLU A 13 -6.892 -5.670 2.943 1.00 0.00 O ATOM 195 CB GLU A 13 -8.990 -4.279 4.669 1.00 0.00 C ATOM 196 CG GLU A 13 -8.539 -4.623 6.082 1.00 0.00 C ATOM 197 CD GLU A 13 -9.656 -5.199 6.931 1.00 0.00 C ATOM 198 OE1 GLU A 13 -10.403 -4.415 7.551 1.00 0.00 O ATOM 199 OE2 GLU A 13 -9.793 -6.438 6.990 1.00 0.00 O ATOM 0 H GLU A 13 -8.881 -4.083 2.008 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.524 -2.764 4.295 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -9.828 -3.585 4.726 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -9.358 -5.184 4.186 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.720 -5.340 6.033 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -8.149 -3.726 6.563 1.00 0.00 H new ATOM 206 N VAL A 14 -5.581 -4.310 4.156 1.00 0.00 N ATOM 207 CA VAL A 14 -4.393 -5.142 4.000 1.00 0.00 C ATOM 208 C VAL A 14 -4.534 -6.446 4.774 1.00 0.00 C ATOM 209 O VAL A 14 -4.739 -6.438 5.989 1.00 0.00 O ATOM 210 CB VAL A 14 -3.123 -4.410 4.473 1.00 0.00 C ATOM 211 CG1 VAL A 14 -1.890 -5.268 4.235 1.00 0.00 C ATOM 212 CG2 VAL A 14 -2.989 -3.069 3.772 1.00 0.00 C ATOM 0 H VAL A 14 -5.437 -3.470 4.716 1.00 0.00 H new ATOM 0 HA VAL A 14 -4.298 -5.360 2.936 1.00 0.00 H new ATOM 0 HB VAL A 14 -3.209 -4.229 5.544 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.003 -4.733 4.576 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -1.985 -6.203 4.788 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.797 -5.484 3.171 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.086 -2.566 4.118 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.926 -3.226 2.695 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.858 -2.452 3.999 1.00 0.00 H new ATOM 222 N THR A 15 -4.429 -7.562 4.065 1.00 0.00 N ATOM 223 CA THR A 15 -4.512 -8.871 4.690 1.00 0.00 C ATOM 224 C THR A 15 -3.119 -9.443 4.943 1.00 0.00 C ATOM 225 O THR A 15 -2.884 -10.101 5.954 1.00 0.00 O ATOM 226 CB THR A 15 -5.331 -9.847 3.823 1.00 0.00 C ATOM 227 OG1 THR A 15 -4.877 -9.803 2.465 1.00 0.00 O ATOM 228 CG2 THR A 15 -6.812 -9.504 3.878 1.00 0.00 C ATOM 0 H THR A 15 -4.286 -7.585 3.055 1.00 0.00 H new ATOM 0 HA THR A 15 -5.019 -8.747 5.647 1.00 0.00 H new ATOM 0 HB THR A 15 -5.189 -10.853 4.218 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.403 -10.428 1.924 1.00 0.00 H new ATOM 0 HG21 THR A 15 -7.371 -10.206 3.259 1.00 0.00 H new ATOM 0 HG22 THR A 15 -7.163 -9.570 4.908 1.00 0.00 H new ATOM 0 HG23 THR A 15 -6.965 -8.491 3.507 1.00 0.00 H new ATOM 236 N SER A 16 -2.199 -9.182 4.020 1.00 0.00 N ATOM 237 CA SER A 16 -0.820 -9.627 4.166 1.00 0.00 C ATOM 238 C SER A 16 0.100 -8.784 3.286 1.00 0.00 C ATOM 239 O SER A 16 -0.227 -8.485 2.141 1.00 0.00 O ATOM 240 CB SER A 16 -0.697 -11.112 3.796 1.00 0.00 C ATOM 241 OG SER A 16 0.613 -11.604 4.037 1.00 0.00 O ATOM 0 H SER A 16 -2.385 -8.663 3.162 1.00 0.00 H new ATOM 0 HA SER A 16 -0.520 -9.503 5.207 1.00 0.00 H new ATOM 0 HB2 SER A 16 -1.416 -11.692 4.374 1.00 0.00 H new ATOM 0 HB3 SER A 16 -0.949 -11.248 2.744 1.00 0.00 H new ATOM 0 HG SER A 16 0.656 -12.552 3.793 1.00 0.00 H new ATOM 247 N VAL A 17 1.244 -8.396 3.829 1.00 0.00 N ATOM 248 CA VAL A 17 2.199 -7.573 3.098 1.00 0.00 C ATOM 249 C VAL A 17 3.515 -8.325 2.902 1.00 0.00 C ATOM 250 O VAL A 17 4.010 -8.977 3.823 1.00 0.00 O ATOM 251 CB VAL A 17 2.454 -6.230 3.833 1.00 0.00 C ATOM 252 CG1 VAL A 17 2.902 -6.461 5.271 1.00 0.00 C ATOM 253 CG2 VAL A 17 3.479 -5.384 3.088 1.00 0.00 C ATOM 0 H VAL A 17 1.535 -8.638 4.776 1.00 0.00 H new ATOM 0 HA VAL A 17 1.772 -7.352 2.120 1.00 0.00 H new ATOM 0 HB VAL A 17 1.509 -5.687 3.855 1.00 0.00 H new ATOM 0 HG11 VAL A 17 3.072 -5.501 5.758 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.129 -7.009 5.809 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.826 -7.039 5.276 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.638 -4.449 3.625 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.421 -5.929 3.021 1.00 0.00 H new ATOM 0 HG23 VAL A 17 3.112 -5.168 2.085 1.00 0.00 H new ATOM 263 N ALA A 18 4.063 -8.259 1.692 1.00 0.00 N ATOM 264 CA ALA A 18 5.356 -8.866 1.405 1.00 0.00 C ATOM 265 C ALA A 18 6.242 -7.903 0.624 1.00 0.00 C ATOM 266 O ALA A 18 5.947 -7.550 -0.515 1.00 0.00 O ATOM 267 CB ALA A 18 5.181 -10.168 0.638 1.00 0.00 C ATOM 0 H ALA A 18 3.631 -7.791 0.895 1.00 0.00 H new ATOM 0 HA ALA A 18 5.844 -9.089 2.354 1.00 0.00 H new ATOM 0 HB1 ALA A 18 6.159 -10.604 0.434 1.00 0.00 H new ATOM 0 HB2 ALA A 18 4.590 -10.864 1.233 1.00 0.00 H new ATOM 0 HB3 ALA A 18 4.669 -9.970 -0.303 1.00 0.00 H new ATOM 273 N ALA A 19 7.328 -7.483 1.251 1.00 0.00 N ATOM 274 CA ALA A 19 8.246 -6.522 0.660 1.00 0.00 C ATOM 275 C ALA A 19 9.628 -6.705 1.258 1.00 0.00 C ATOM 276 O ALA A 19 9.821 -7.589 2.096 1.00 0.00 O ATOM 277 CB ALA A 19 7.752 -5.101 0.902 1.00 0.00 C ATOM 0 H ALA A 19 7.598 -7.798 2.183 1.00 0.00 H new ATOM 0 HA ALA A 19 8.296 -6.692 -0.416 1.00 0.00 H new ATOM 0 HB1 ALA A 19 8.449 -4.392 0.454 1.00 0.00 H new ATOM 0 HB2 ALA A 19 6.768 -4.976 0.451 1.00 0.00 H new ATOM 0 HB3 ALA A 19 7.686 -4.916 1.974 1.00 0.00 H new ATOM 283 N GLU A 20 10.582 -5.883 0.841 1.00 0.00 N ATOM 284 CA GLU A 20 11.911 -5.920 1.435 1.00 0.00 C ATOM 285 C GLU A 20 11.804 -5.560 2.912 1.00 0.00 C ATOM 286 O GLU A 20 10.994 -4.718 3.279 1.00 0.00 O ATOM 287 CB GLU A 20 12.850 -4.949 0.717 1.00 0.00 C ATOM 288 CG GLU A 20 13.101 -5.306 -0.741 1.00 0.00 C ATOM 289 CD GLU A 20 13.850 -6.614 -0.896 1.00 0.00 C ATOM 290 OE1 GLU A 20 13.201 -7.677 -0.909 1.00 0.00 O ATOM 291 OE2 GLU A 20 15.095 -6.580 -1.001 1.00 0.00 O ATOM 0 H GLU A 20 10.463 -5.190 0.102 1.00 0.00 H new ATOM 0 HA GLU A 20 12.324 -6.923 1.332 1.00 0.00 H new ATOM 0 HB2 GLU A 20 12.429 -3.945 0.769 1.00 0.00 H new ATOM 0 HB3 GLU A 20 13.803 -4.922 1.245 1.00 0.00 H new ATOM 0 HG2 GLU A 20 12.148 -5.372 -1.265 1.00 0.00 H new ATOM 0 HG3 GLU A 20 13.670 -4.506 -1.215 1.00 0.00 H new ATOM 298 N PRO A 21 12.615 -6.187 3.775 1.00 0.00 N ATOM 299 CA PRO A 21 12.528 -6.002 5.231 1.00 0.00 C ATOM 300 C PRO A 21 12.516 -4.529 5.638 1.00 0.00 C ATOM 301 O PRO A 21 11.655 -4.091 6.404 1.00 0.00 O ATOM 302 CB PRO A 21 13.784 -6.708 5.770 1.00 0.00 C ATOM 303 CG PRO A 21 14.625 -7.015 4.573 1.00 0.00 C ATOM 304 CD PRO A 21 13.681 -7.121 3.411 1.00 0.00 C ATOM 0 HA PRO A 21 11.599 -6.408 5.631 1.00 0.00 H new ATOM 0 HB2 PRO A 21 14.321 -6.069 6.471 1.00 0.00 H new ATOM 0 HB3 PRO A 21 13.520 -7.619 6.307 1.00 0.00 H new ATOM 0 HG2 PRO A 21 15.363 -6.230 4.404 1.00 0.00 H new ATOM 0 HG3 PRO A 21 15.176 -7.945 4.713 1.00 0.00 H new ATOM 0 HD2 PRO A 21 14.161 -6.842 2.473 1.00 0.00 H new ATOM 0 HD3 PRO A 21 13.305 -8.136 3.287 1.00 0.00 H new ATOM 312 N ALA A 22 13.455 -3.767 5.092 1.00 0.00 N ATOM 313 CA ALA A 22 13.587 -2.352 5.408 1.00 0.00 C ATOM 314 C ALA A 22 12.383 -1.556 4.921 1.00 0.00 C ATOM 315 O ALA A 22 11.944 -0.607 5.572 1.00 0.00 O ATOM 316 CB ALA A 22 14.862 -1.801 4.791 1.00 0.00 C ATOM 0 H ALA A 22 14.143 -4.111 4.421 1.00 0.00 H new ATOM 0 HA ALA A 22 13.635 -2.252 6.492 1.00 0.00 H new ATOM 0 HB1 ALA A 22 14.954 -0.742 5.031 1.00 0.00 H new ATOM 0 HB2 ALA A 22 15.722 -2.340 5.190 1.00 0.00 H new ATOM 0 HB3 ALA A 22 14.826 -1.926 3.709 1.00 0.00 H new ATOM 322 N VAL A 23 11.854 -1.944 3.771 1.00 0.00 N ATOM 323 CA VAL A 23 10.702 -1.272 3.195 1.00 0.00 C ATOM 324 C VAL A 23 9.435 -1.665 3.945 1.00 0.00 C ATOM 325 O VAL A 23 8.572 -0.829 4.221 1.00 0.00 O ATOM 326 CB VAL A 23 10.556 -1.620 1.697 1.00 0.00 C ATOM 327 CG1 VAL A 23 9.272 -1.042 1.117 1.00 0.00 C ATOM 328 CG2 VAL A 23 11.764 -1.121 0.918 1.00 0.00 C ATOM 0 H VAL A 23 12.207 -2.724 3.217 1.00 0.00 H new ATOM 0 HA VAL A 23 10.853 -0.196 3.287 1.00 0.00 H new ATOM 0 HB VAL A 23 10.503 -2.705 1.608 1.00 0.00 H new ATOM 0 HG11 VAL A 23 9.199 -1.305 0.062 1.00 0.00 H new ATOM 0 HG12 VAL A 23 8.415 -1.450 1.653 1.00 0.00 H new ATOM 0 HG13 VAL A 23 9.282 0.043 1.221 1.00 0.00 H new ATOM 0 HG21 VAL A 23 11.647 -1.373 -0.136 1.00 0.00 H new ATOM 0 HG22 VAL A 23 11.845 -0.039 1.025 1.00 0.00 H new ATOM 0 HG23 VAL A 23 12.667 -1.592 1.306 1.00 0.00 H new ATOM 338 N ARG A 24 9.356 -2.939 4.304 1.00 0.00 N ATOM 339 CA ARG A 24 8.187 -3.485 4.968 1.00 0.00 C ATOM 340 C ARG A 24 7.931 -2.782 6.293 1.00 0.00 C ATOM 341 O ARG A 24 6.806 -2.361 6.563 1.00 0.00 O ATOM 342 CB ARG A 24 8.354 -4.986 5.206 1.00 0.00 C ATOM 343 CG ARG A 24 7.078 -5.668 5.670 1.00 0.00 C ATOM 344 CD ARG A 24 7.348 -7.068 6.189 1.00 0.00 C ATOM 345 NE ARG A 24 8.107 -7.047 7.438 1.00 0.00 N ATOM 346 CZ ARG A 24 9.079 -7.906 7.738 1.00 0.00 C ATOM 347 NH1 ARG A 24 9.457 -8.829 6.861 1.00 0.00 N ATOM 348 NH2 ARG A 24 9.693 -7.823 8.907 1.00 0.00 N ATOM 0 H ARG A 24 10.099 -3.619 4.143 1.00 0.00 H new ATOM 0 HA ARG A 24 7.330 -3.320 4.315 1.00 0.00 H new ATOM 0 HB2 ARG A 24 8.695 -5.457 4.284 1.00 0.00 H new ATOM 0 HB3 ARG A 24 9.134 -5.144 5.951 1.00 0.00 H new ATOM 0 HG2 ARG A 24 6.611 -5.072 6.455 1.00 0.00 H new ATOM 0 HG3 ARG A 24 6.370 -5.717 4.843 1.00 0.00 H new ATOM 0 HD2 ARG A 24 6.402 -7.586 6.347 1.00 0.00 H new ATOM 0 HD3 ARG A 24 7.899 -7.634 5.438 1.00 0.00 H new ATOM 0 HE ARG A 24 7.877 -6.328 8.124 1.00 0.00 H new ATOM 0 HH11 ARG A 24 9.002 -8.883 5.950 1.00 0.00 H new ATOM 0 HH12 ARG A 24 10.203 -9.483 7.099 1.00 0.00 H new ATOM 0 HH21 ARG A 24 9.421 -7.102 9.576 1.00 0.00 H new ATOM 0 HH22 ARG A 24 10.438 -8.480 9.140 1.00 0.00 H new ATOM 362 N ARG A 25 8.969 -2.633 7.117 1.00 0.00 N ATOM 363 CA ARG A 25 8.777 -2.023 8.426 1.00 0.00 C ATOM 364 C ARG A 25 8.399 -0.557 8.283 1.00 0.00 C ATOM 365 O ARG A 25 7.582 -0.049 9.042 1.00 0.00 O ATOM 366 CB ARG A 25 10.008 -2.129 9.324 1.00 0.00 C ATOM 367 CG ARG A 25 9.712 -1.580 10.710 1.00 0.00 C ATOM 368 CD ARG A 25 10.956 -1.261 11.513 1.00 0.00 C ATOM 369 NE ARG A 25 10.605 -0.456 12.681 1.00 0.00 N ATOM 370 CZ ARG A 25 10.919 -0.766 13.933 1.00 0.00 C ATOM 371 NH1 ARG A 25 11.656 -1.833 14.200 1.00 0.00 N ATOM 372 NH2 ARG A 25 10.507 0.012 14.924 1.00 0.00 N ATOM 0 H ARG A 25 9.925 -2.919 6.907 1.00 0.00 H new ATOM 0 HA ARG A 25 7.969 -2.581 8.900 1.00 0.00 H new ATOM 0 HB2 ARG A 25 10.321 -3.171 9.399 1.00 0.00 H new ATOM 0 HB3 ARG A 25 10.837 -1.579 8.879 1.00 0.00 H new ATOM 0 HG2 ARG A 25 9.110 -0.676 10.613 1.00 0.00 H new ATOM 0 HG3 ARG A 25 9.111 -2.305 11.259 1.00 0.00 H new ATOM 0 HD2 ARG A 25 11.441 -2.184 11.830 1.00 0.00 H new ATOM 0 HD3 ARG A 25 11.672 -0.722 10.892 1.00 0.00 H new ATOM 0 HE ARG A 25 10.082 0.405 12.523 1.00 0.00 H new ATOM 0 HH11 ARG A 25 11.989 -2.426 13.440 1.00 0.00 H new ATOM 0 HH12 ARG A 25 11.891 -2.062 15.166 1.00 0.00 H new ATOM 0 HH21 ARG A 25 9.952 0.844 14.722 1.00 0.00 H new ATOM 0 HH22 ARG A 25 10.745 -0.221 15.888 1.00 0.00 H new ATOM 386 N ARG A 26 8.993 0.115 7.305 1.00 0.00 N ATOM 387 CA ARG A 26 8.674 1.510 7.042 1.00 0.00 C ATOM 388 C ARG A 26 7.179 1.676 6.806 1.00 0.00 C ATOM 389 O ARG A 26 6.559 2.592 7.336 1.00 0.00 O ATOM 390 CB ARG A 26 9.466 2.033 5.842 1.00 0.00 C ATOM 391 CG ARG A 26 10.895 2.412 6.184 1.00 0.00 C ATOM 392 CD ARG A 26 11.714 2.692 4.934 1.00 0.00 C ATOM 393 NE ARG A 26 12.995 3.315 5.249 1.00 0.00 N ATOM 394 CZ ARG A 26 14.095 2.652 5.597 1.00 0.00 C ATOM 395 NH1 ARG A 26 14.072 1.334 5.758 1.00 0.00 N ATOM 396 NH2 ARG A 26 15.223 3.319 5.802 1.00 0.00 N ATOM 0 H ARG A 26 9.696 -0.283 6.683 1.00 0.00 H new ATOM 0 HA ARG A 26 8.956 2.096 7.917 1.00 0.00 H new ATOM 0 HB2 ARG A 26 9.476 1.271 5.063 1.00 0.00 H new ATOM 0 HB3 ARG A 26 8.955 2.903 5.430 1.00 0.00 H new ATOM 0 HG2 ARG A 26 10.895 3.294 6.825 1.00 0.00 H new ATOM 0 HG3 ARG A 26 11.360 1.606 6.751 1.00 0.00 H new ATOM 0 HD2 ARG A 26 11.887 1.759 4.397 1.00 0.00 H new ATOM 0 HD3 ARG A 26 11.148 3.343 4.268 1.00 0.00 H new ATOM 0 HE ARG A 26 13.052 4.332 5.199 1.00 0.00 H new ATOM 0 HH11 ARG A 26 13.204 0.818 5.615 1.00 0.00 H new ATOM 0 HH12 ARG A 26 14.922 0.838 6.025 1.00 0.00 H new ATOM 0 HH21 ARG A 26 15.243 4.333 5.693 1.00 0.00 H new ATOM 0 HH22 ARG A 26 16.070 2.818 6.069 1.00 0.00 H new ATOM 410 N LEU A 27 6.603 0.765 6.033 1.00 0.00 N ATOM 411 CA LEU A 27 5.168 0.774 5.788 1.00 0.00 C ATOM 412 C LEU A 27 4.404 0.469 7.074 1.00 0.00 C ATOM 413 O LEU A 27 3.404 1.116 7.385 1.00 0.00 O ATOM 414 CB LEU A 27 4.809 -0.246 4.704 1.00 0.00 C ATOM 415 CG LEU A 27 5.474 -0.003 3.346 1.00 0.00 C ATOM 416 CD1 LEU A 27 5.076 -1.083 2.355 1.00 0.00 C ATOM 417 CD2 LEU A 27 5.106 1.373 2.811 1.00 0.00 C ATOM 0 H LEU A 27 7.107 0.011 5.566 1.00 0.00 H new ATOM 0 HA LEU A 27 4.882 1.768 5.443 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.085 -1.240 5.055 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.727 -0.245 4.568 1.00 0.00 H new ATOM 0 HG LEU A 27 6.555 -0.043 3.481 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.559 -0.893 1.396 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.389 -2.056 2.732 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.994 -1.076 2.224 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.587 1.529 1.845 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.025 1.440 2.692 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.442 2.138 3.511 1.00 0.00 H new ATOM 429 N MET A 28 4.912 -0.490 7.834 1.00 0.00 N ATOM 430 CA MET A 28 4.261 -0.930 9.066 1.00 0.00 C ATOM 431 C MET A 28 4.260 0.182 10.107 1.00 0.00 C ATOM 432 O MET A 28 3.298 0.349 10.858 1.00 0.00 O ATOM 433 CB MET A 28 4.966 -2.167 9.628 1.00 0.00 C ATOM 434 CG MET A 28 4.777 -3.415 8.780 1.00 0.00 C ATOM 435 SD MET A 28 5.846 -4.782 9.286 1.00 0.00 S ATOM 436 CE MET A 28 5.455 -4.907 11.031 1.00 0.00 C ATOM 0 H MET A 28 5.779 -0.983 7.620 1.00 0.00 H new ATOM 0 HA MET A 28 3.228 -1.184 8.829 1.00 0.00 H new ATOM 0 HB2 MET A 28 6.032 -1.957 9.718 1.00 0.00 H new ATOM 0 HB3 MET A 28 4.593 -2.362 10.634 1.00 0.00 H new ATOM 0 HG2 MET A 28 3.736 -3.734 8.840 1.00 0.00 H new ATOM 0 HG3 MET A 28 4.977 -3.172 7.736 1.00 0.00 H new ATOM 0 HE1 MET A 28 5.854 -5.841 11.427 1.00 0.00 H new ATOM 0 HE2 MET A 28 5.899 -4.067 11.565 1.00 0.00 H new ATOM 0 HE3 MET A 28 4.373 -4.890 11.164 1.00 0.00 H new ATOM 446 N ASP A 29 5.350 0.932 10.148 1.00 0.00 N ATOM 447 CA ASP A 29 5.482 2.051 11.071 1.00 0.00 C ATOM 448 C ASP A 29 4.642 3.240 10.627 1.00 0.00 C ATOM 449 O ASP A 29 4.133 3.993 11.461 1.00 0.00 O ATOM 450 CB ASP A 29 6.944 2.469 11.218 1.00 0.00 C ATOM 451 CG ASP A 29 7.668 1.686 12.297 1.00 0.00 C ATOM 452 OD1 ASP A 29 6.994 1.159 13.206 1.00 0.00 O ATOM 453 OD2 ASP A 29 8.914 1.605 12.248 1.00 0.00 O ATOM 0 H ASP A 29 6.162 0.785 9.549 1.00 0.00 H new ATOM 0 HA ASP A 29 5.114 1.716 12.041 1.00 0.00 H new ATOM 0 HB2 ASP A 29 7.456 2.328 10.266 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.992 3.533 11.451 1.00 0.00 H new ATOM 458 N LEU A 30 4.500 3.414 9.316 1.00 0.00 N ATOM 459 CA LEU A 30 3.655 4.471 8.778 1.00 0.00 C ATOM 460 C LEU A 30 2.196 4.190 9.108 1.00 0.00 C ATOM 461 O LEU A 30 1.446 5.094 9.459 1.00 0.00 O ATOM 462 CB LEU A 30 3.831 4.605 7.262 1.00 0.00 C ATOM 463 CG LEU A 30 5.189 5.145 6.806 1.00 0.00 C ATOM 464 CD1 LEU A 30 5.260 5.189 5.288 1.00 0.00 C ATOM 465 CD2 LEU A 30 5.443 6.526 7.392 1.00 0.00 C ATOM 0 H LEU A 30 4.958 2.838 8.610 1.00 0.00 H new ATOM 0 HA LEU A 30 3.956 5.412 9.239 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.676 3.627 6.807 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.050 5.262 6.879 1.00 0.00 H new ATOM 0 HG LEU A 30 5.965 4.472 7.170 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.232 5.575 4.980 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.126 4.184 4.888 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.473 5.840 4.906 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.413 6.891 7.055 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.663 7.211 7.061 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.435 6.466 8.480 1.00 0.00 H new ATOM 477 N GLY A 31 1.801 2.931 8.992 1.00 0.00 N ATOM 478 CA GLY A 31 0.449 2.548 9.345 1.00 0.00 C ATOM 479 C GLY A 31 -0.112 1.471 8.443 1.00 0.00 C ATOM 480 O GLY A 31 -1.326 1.284 8.369 1.00 0.00 O ATOM 0 H GLY A 31 2.391 2.168 8.660 1.00 0.00 H new ATOM 0 HA2 GLY A 31 0.434 2.195 10.376 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -0.196 3.426 9.299 1.00 0.00 H new ATOM 484 N LEU A 32 0.763 0.765 7.749 1.00 0.00 N ATOM 485 CA LEU A 32 0.340 -0.280 6.834 1.00 0.00 C ATOM 486 C LEU A 32 0.588 -1.652 7.459 1.00 0.00 C ATOM 487 O LEU A 32 1.689 -2.198 7.381 1.00 0.00 O ATOM 488 CB LEU A 32 1.081 -0.128 5.500 1.00 0.00 C ATOM 489 CG LEU A 32 0.382 -0.715 4.268 1.00 0.00 C ATOM 490 CD1 LEU A 32 1.040 -0.198 2.999 1.00 0.00 C ATOM 491 CD2 LEU A 32 0.419 -2.233 4.294 1.00 0.00 C ATOM 0 H LEU A 32 1.773 0.897 7.802 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.729 -0.190 6.641 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.254 0.934 5.323 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.059 -0.599 5.596 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.661 -0.399 4.284 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.536 -0.621 2.130 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.966 0.889 2.968 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.090 -0.491 2.988 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.083 -2.624 3.409 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.455 -2.572 4.303 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.088 -2.594 5.189 1.00 0.00 H new ATOM 503 N VAL A 33 -0.438 -2.179 8.115 1.00 0.00 N ATOM 504 CA VAL A 33 -0.374 -3.493 8.745 1.00 0.00 C ATOM 505 C VAL A 33 -1.625 -4.290 8.392 1.00 0.00 C ATOM 506 O VAL A 33 -2.435 -3.836 7.582 1.00 0.00 O ATOM 507 CB VAL A 33 -0.247 -3.388 10.283 1.00 0.00 C ATOM 508 CG1 VAL A 33 1.093 -2.782 10.677 1.00 0.00 C ATOM 509 CG2 VAL A 33 -1.398 -2.573 10.865 1.00 0.00 C ATOM 0 H VAL A 33 -1.337 -1.709 8.226 1.00 0.00 H new ATOM 0 HA VAL A 33 0.515 -4.000 8.369 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.298 -4.396 10.696 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.158 -2.719 11.763 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.901 -3.410 10.301 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.180 -1.783 10.249 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.289 -2.512 11.948 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.383 -1.569 10.441 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.345 -3.056 10.622 1.00 0.00 H new ATOM 519 N ARG A 34 -1.803 -5.465 8.987 1.00 0.00 N ATOM 520 CA ARG A 34 -2.994 -6.256 8.713 1.00 0.00 C ATOM 521 C ARG A 34 -4.203 -5.587 9.355 1.00 0.00 C ATOM 522 O ARG A 34 -4.184 -5.246 10.541 1.00 0.00 O ATOM 523 CB ARG A 34 -2.856 -7.692 9.225 1.00 0.00 C ATOM 524 CG ARG A 34 -3.914 -8.625 8.652 1.00 0.00 C ATOM 525 CD ARG A 34 -3.845 -10.019 9.257 1.00 0.00 C ATOM 526 NE ARG A 34 -4.414 -10.062 10.602 1.00 0.00 N ATOM 527 CZ ARG A 34 -5.012 -11.132 11.127 1.00 0.00 C ATOM 528 NH1 ARG A 34 -5.075 -12.273 10.445 1.00 0.00 N ATOM 529 NH2 ARG A 34 -5.529 -11.061 12.347 1.00 0.00 N ATOM 0 H ARG A 34 -1.150 -5.883 9.650 1.00 0.00 H new ATOM 0 HA ARG A 34 -3.125 -6.307 7.632 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -1.867 -8.071 8.969 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -2.927 -7.694 10.313 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -4.903 -8.203 8.831 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -3.787 -8.694 7.572 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.379 -10.719 8.615 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -2.806 -10.348 9.292 1.00 0.00 H new ATOM 0 HE ARG A 34 -4.350 -9.221 11.175 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -4.664 -12.334 9.513 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -5.534 -13.087 10.854 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -5.468 -10.192 12.877 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -5.988 -11.876 12.755 1.00 0.00 H new ATOM 543 N GLY A 35 -5.239 -5.374 8.563 1.00 0.00 N ATOM 544 CA GLY A 35 -6.420 -4.700 9.056 1.00 0.00 C ATOM 545 C GLY A 35 -6.375 -3.212 8.783 1.00 0.00 C ATOM 546 O GLY A 35 -7.296 -2.480 9.141 1.00 0.00 O ATOM 0 H GLY A 35 -5.284 -5.657 7.584 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.305 -5.129 8.587 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -6.514 -4.870 10.129 1.00 0.00 H new ATOM 550 N ALA A 36 -5.290 -2.758 8.168 1.00 0.00 N ATOM 551 CA ALA A 36 -5.163 -1.363 7.787 1.00 0.00 C ATOM 552 C ALA A 36 -6.004 -1.072 6.555 1.00 0.00 C ATOM 553 O ALA A 36 -5.902 -1.769 5.544 1.00 0.00 O ATOM 554 CB ALA A 36 -3.709 -1.006 7.529 1.00 0.00 C ATOM 0 H ALA A 36 -4.487 -3.338 7.924 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.526 -0.749 8.611 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.637 0.044 7.245 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.126 -1.178 8.434 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -3.319 -1.628 6.723 1.00 0.00 H new ATOM 560 N LYS A 37 -6.838 -0.050 6.650 1.00 0.00 N ATOM 561 CA LYS A 37 -7.695 0.343 5.547 1.00 0.00 C ATOM 562 C LYS A 37 -7.113 1.563 4.850 1.00 0.00 C ATOM 563 O LYS A 37 -6.811 2.572 5.492 1.00 0.00 O ATOM 564 CB LYS A 37 -9.101 0.636 6.064 1.00 0.00 C ATOM 565 CG LYS A 37 -9.754 -0.563 6.733 1.00 0.00 C ATOM 566 CD LYS A 37 -11.037 -0.178 7.451 1.00 0.00 C ATOM 567 CE LYS A 37 -11.658 -1.380 8.146 1.00 0.00 C ATOM 568 NZ LYS A 37 -12.822 -1.004 8.989 1.00 0.00 N ATOM 0 H LYS A 37 -6.939 0.525 7.486 1.00 0.00 H new ATOM 0 HA LYS A 37 -7.754 -0.472 4.825 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -9.055 1.461 6.775 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -9.725 0.966 5.234 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.971 -1.324 5.984 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.058 -1.006 7.445 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -10.827 0.601 8.184 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.746 0.239 6.736 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -11.974 -2.107 7.397 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -10.906 -1.867 8.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -13.212 -1.855 9.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -12.518 -0.331 9.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -13.553 -0.563 8.395 1.00 0.00 H new ATOM 582 N LEU A 38 -6.949 1.466 3.543 1.00 0.00 N ATOM 583 CA LEU A 38 -6.326 2.530 2.776 1.00 0.00 C ATOM 584 C LEU A 38 -7.053 2.760 1.461 1.00 0.00 C ATOM 585 O LEU A 38 -7.712 1.861 0.935 1.00 0.00 O ATOM 586 CB LEU A 38 -4.850 2.212 2.492 1.00 0.00 C ATOM 587 CG LEU A 38 -4.587 0.989 1.604 1.00 0.00 C ATOM 588 CD1 LEU A 38 -3.177 1.043 1.039 1.00 0.00 C ATOM 589 CD2 LEU A 38 -4.775 -0.303 2.385 1.00 0.00 C ATOM 0 H LEU A 38 -7.239 0.660 2.990 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.387 3.438 3.377 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.395 3.083 2.021 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.341 2.062 3.444 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.306 1.008 0.785 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.003 0.169 0.411 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.058 1.948 0.443 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.457 1.050 1.857 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.582 -1.154 1.732 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.080 -0.325 3.224 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.797 -0.357 2.759 1.00 0.00 H new ATOM 601 N LYS A 39 -6.937 3.973 0.947 1.00 0.00 N ATOM 602 CA LYS A 39 -7.447 4.302 -0.370 1.00 0.00 C ATOM 603 C LYS A 39 -6.283 4.606 -1.302 1.00 0.00 C ATOM 604 O LYS A 39 -5.395 5.386 -0.953 1.00 0.00 O ATOM 605 CB LYS A 39 -8.384 5.519 -0.321 1.00 0.00 C ATOM 606 CG LYS A 39 -8.927 5.900 -1.694 1.00 0.00 C ATOM 607 CD LYS A 39 -9.534 7.301 -1.737 1.00 0.00 C ATOM 608 CE LYS A 39 -10.893 7.384 -1.055 1.00 0.00 C ATOM 609 NZ LYS A 39 -10.791 7.602 0.412 1.00 0.00 N ATOM 0 H LYS A 39 -6.489 4.752 1.429 1.00 0.00 H new ATOM 0 HA LYS A 39 -8.014 3.446 -0.737 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -9.217 5.304 0.348 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.847 6.369 0.101 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -8.121 5.838 -2.425 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -9.684 5.174 -1.992 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -8.850 8.002 -1.258 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -9.636 7.615 -2.776 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -11.468 8.197 -1.499 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -11.445 6.463 -1.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -11.594 8.179 0.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -10.806 6.684 0.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -9.902 8.096 0.629 1.00 0.00 H new ATOM 623 N VAL A 40 -6.275 3.983 -2.469 1.00 0.00 N ATOM 624 CA VAL A 40 -5.275 4.289 -3.477 1.00 0.00 C ATOM 625 C VAL A 40 -5.552 5.673 -4.051 1.00 0.00 C ATOM 626 O VAL A 40 -6.600 5.901 -4.651 1.00 0.00 O ATOM 627 CB VAL A 40 -5.274 3.245 -4.615 1.00 0.00 C ATOM 628 CG1 VAL A 40 -4.192 3.558 -5.637 1.00 0.00 C ATOM 629 CG2 VAL A 40 -5.090 1.841 -4.058 1.00 0.00 C ATOM 0 H VAL A 40 -6.947 3.265 -2.741 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.294 4.265 -3.003 1.00 0.00 H new ATOM 0 HB VAL A 40 -6.241 3.293 -5.116 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -4.211 2.809 -6.428 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -4.371 4.544 -6.066 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -3.217 3.546 -5.150 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -5.092 1.122 -4.877 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -4.140 1.782 -3.526 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -5.905 1.612 -3.372 1.00 0.00 H new ATOM 639 N LEU A 41 -4.625 6.596 -3.847 1.00 0.00 N ATOM 640 CA LEU A 41 -4.839 7.982 -4.237 1.00 0.00 C ATOM 641 C LEU A 41 -4.447 8.214 -5.686 1.00 0.00 C ATOM 642 O LEU A 41 -5.299 8.519 -6.521 1.00 0.00 O ATOM 643 CB LEU A 41 -4.049 8.920 -3.325 1.00 0.00 C ATOM 644 CG LEU A 41 -4.406 8.838 -1.842 1.00 0.00 C ATOM 645 CD1 LEU A 41 -3.558 9.814 -1.040 1.00 0.00 C ATOM 646 CD2 LEU A 41 -5.892 9.114 -1.630 1.00 0.00 C ATOM 0 H LEU A 41 -3.720 6.412 -3.415 1.00 0.00 H new ATOM 0 HA LEU A 41 -5.903 8.196 -4.134 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.987 8.703 -3.439 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.203 9.945 -3.663 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.195 7.828 -1.491 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.823 9.745 0.015 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.504 9.569 -1.166 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.739 10.829 -1.394 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.126 9.051 -0.567 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.132 10.112 -1.996 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.481 8.376 -2.175 1.00 0.00 H new ATOM 658 N ARG A 42 -3.162 8.063 -5.982 1.00 0.00 N ATOM 659 CA ARG A 42 -2.648 8.348 -7.311 1.00 0.00 C ATOM 660 C ARG A 42 -1.454 7.466 -7.629 1.00 0.00 C ATOM 661 O ARG A 42 -0.769 6.972 -6.729 1.00 0.00 O ATOM 662 CB ARG A 42 -2.222 9.817 -7.425 1.00 0.00 C ATOM 663 CG ARG A 42 -3.360 10.802 -7.651 1.00 0.00 C ATOM 664 CD ARG A 42 -3.982 10.629 -9.026 1.00 0.00 C ATOM 665 NE ARG A 42 -5.332 10.076 -8.958 1.00 0.00 N ATOM 666 CZ ARG A 42 -5.958 9.516 -9.990 1.00 0.00 C ATOM 667 NH1 ARG A 42 -5.322 9.340 -11.145 1.00 0.00 N ATOM 668 NH2 ARG A 42 -7.208 9.102 -9.854 1.00 0.00 N ATOM 0 H ARG A 42 -2.458 7.744 -5.317 1.00 0.00 H new ATOM 0 HA ARG A 42 -3.449 8.144 -8.022 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -1.694 10.098 -6.514 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -1.512 9.911 -8.247 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -4.123 10.660 -6.885 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -2.987 11.821 -7.545 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -4.012 11.594 -9.533 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -3.353 9.973 -9.627 1.00 0.00 H new ATOM 0 HE ARG A 42 -5.824 10.122 -8.066 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -4.350 9.635 -11.242 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -5.806 8.910 -11.933 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -7.688 9.213 -8.961 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -7.692 8.672 -10.643 1.00 0.00 H new ATOM 682 N PHE A 43 -1.214 7.277 -8.909 1.00 0.00 N ATOM 683 CA PHE A 43 -0.025 6.596 -9.368 1.00 0.00 C ATOM 684 C PHE A 43 0.928 7.627 -9.947 1.00 0.00 C ATOM 685 O PHE A 43 0.489 8.654 -10.472 1.00 0.00 O ATOM 686 CB PHE A 43 -0.375 5.546 -10.429 1.00 0.00 C ATOM 687 CG PHE A 43 -1.207 4.409 -9.910 1.00 0.00 C ATOM 688 CD1 PHE A 43 -2.590 4.502 -9.875 1.00 0.00 C ATOM 689 CD2 PHE A 43 -0.608 3.242 -9.468 1.00 0.00 C ATOM 690 CE1 PHE A 43 -3.357 3.453 -9.406 1.00 0.00 C ATOM 691 CE2 PHE A 43 -1.369 2.190 -8.996 1.00 0.00 C ATOM 692 CZ PHE A 43 -2.746 2.296 -8.968 1.00 0.00 C ATOM 0 H PHE A 43 -1.834 7.589 -9.656 1.00 0.00 H new ATOM 0 HA PHE A 43 0.445 6.080 -8.530 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -0.911 6.032 -11.244 1.00 0.00 H new ATOM 0 HB3 PHE A 43 0.548 5.146 -10.848 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -3.073 5.405 -10.218 1.00 0.00 H new ATOM 0 HD2 PHE A 43 0.468 3.153 -9.492 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -4.433 3.538 -9.382 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -0.888 1.287 -8.650 1.00 0.00 H new ATOM 0 HZ PHE A 43 -3.344 1.474 -8.604 1.00 0.00 H new ATOM 702 N ALA A 44 2.219 7.385 -9.814 1.00 0.00 N ATOM 703 CA ALA A 44 3.213 8.257 -10.415 1.00 0.00 C ATOM 704 C ALA A 44 3.146 8.150 -11.939 1.00 0.00 C ATOM 705 O ALA A 44 2.529 7.220 -12.460 1.00 0.00 O ATOM 706 CB ALA A 44 4.598 7.890 -9.911 1.00 0.00 C ATOM 0 H ALA A 44 2.604 6.594 -9.297 1.00 0.00 H new ATOM 0 HA ALA A 44 3.005 9.289 -10.131 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.337 8.549 -10.367 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.632 8.001 -8.827 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.820 6.857 -10.177 1.00 0.00 H new ATOM 712 N PRO A 45 3.773 9.093 -12.674 1.00 0.00 N ATOM 713 CA PRO A 45 3.778 9.097 -14.151 1.00 0.00 C ATOM 714 C PRO A 45 4.365 7.827 -14.781 1.00 0.00 C ATOM 715 O PRO A 45 4.500 7.741 -16.001 1.00 0.00 O ATOM 716 CB PRO A 45 4.654 10.308 -14.509 1.00 0.00 C ATOM 717 CG PRO A 45 5.403 10.636 -13.265 1.00 0.00 C ATOM 718 CD PRO A 45 4.496 10.257 -12.132 1.00 0.00 C ATOM 0 HA PRO A 45 2.758 9.143 -14.534 1.00 0.00 H new ATOM 0 HB2 PRO A 45 5.335 10.072 -15.327 1.00 0.00 H new ATOM 0 HB3 PRO A 45 4.045 11.151 -14.835 1.00 0.00 H new ATOM 0 HG2 PRO A 45 6.342 10.084 -13.216 1.00 0.00 H new ATOM 0 HG3 PRO A 45 5.654 11.696 -13.227 1.00 0.00 H new ATOM 0 HD2 PRO A 45 5.056 10.003 -11.232 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.818 11.068 -11.867 1.00 0.00 H new ATOM 726 N LEU A 46 4.694 6.845 -13.955 1.00 0.00 N ATOM 727 CA LEU A 46 5.267 5.594 -14.428 1.00 0.00 C ATOM 728 C LEU A 46 4.557 4.407 -13.783 1.00 0.00 C ATOM 729 O LEU A 46 4.971 3.259 -13.944 1.00 0.00 O ATOM 730 CB LEU A 46 6.760 5.540 -14.085 1.00 0.00 C ATOM 731 CG LEU A 46 7.611 6.649 -14.702 1.00 0.00 C ATOM 732 CD1 LEU A 46 9.015 6.632 -14.122 1.00 0.00 C ATOM 733 CD2 LEU A 46 7.660 6.501 -16.214 1.00 0.00 C ATOM 0 H LEU A 46 4.572 6.892 -12.943 1.00 0.00 H new ATOM 0 HA LEU A 46 5.139 5.542 -15.509 1.00 0.00 H new ATOM 0 HB2 LEU A 46 6.869 5.581 -13.001 1.00 0.00 H new ATOM 0 HB3 LEU A 46 7.156 4.578 -14.409 1.00 0.00 H new ATOM 0 HG LEU A 46 7.152 7.608 -14.462 1.00 0.00 H new ATOM 0 HD11 LEU A 46 9.605 7.429 -14.574 1.00 0.00 H new ATOM 0 HD12 LEU A 46 8.965 6.784 -13.044 1.00 0.00 H new ATOM 0 HD13 LEU A 46 9.483 5.670 -14.331 1.00 0.00 H new ATOM 0 HD21 LEU A 46 8.270 7.299 -16.638 1.00 0.00 H new ATOM 0 HD22 LEU A 46 8.095 5.535 -16.471 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.650 6.563 -16.619 1.00 0.00 H new ATOM 745 N GLY A 47 3.482 4.690 -13.053 1.00 0.00 N ATOM 746 CA GLY A 47 2.778 3.649 -12.318 1.00 0.00 C ATOM 747 C GLY A 47 3.536 3.237 -11.071 1.00 0.00 C ATOM 748 O GLY A 47 3.124 2.332 -10.345 1.00 0.00 O ATOM 0 H GLY A 47 3.083 5.624 -12.956 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.786 4.006 -12.040 1.00 0.00 H new ATOM 0 HA3 GLY A 47 2.636 2.781 -12.962 1.00 0.00 H new ATOM 752 N ASP A 48 4.647 3.920 -10.841 1.00 0.00 N ATOM 753 CA ASP A 48 5.538 3.650 -9.725 1.00 0.00 C ATOM 754 C ASP A 48 6.360 4.903 -9.439 1.00 0.00 C ATOM 755 O ASP A 48 6.964 5.465 -10.354 1.00 0.00 O ATOM 756 CB ASP A 48 6.458 2.472 -10.072 1.00 0.00 C ATOM 757 CG ASP A 48 7.609 2.310 -9.102 1.00 0.00 C ATOM 758 OD1 ASP A 48 7.364 2.165 -7.889 1.00 0.00 O ATOM 759 OD2 ASP A 48 8.773 2.324 -9.554 1.00 0.00 O ATOM 0 H ASP A 48 4.959 4.689 -11.434 1.00 0.00 H new ATOM 0 HA ASP A 48 4.961 3.387 -8.839 1.00 0.00 H new ATOM 0 HB2 ASP A 48 5.872 1.553 -10.087 1.00 0.00 H new ATOM 0 HB3 ASP A 48 6.855 2.613 -11.077 1.00 0.00 H new ATOM 764 N PRO A 49 6.387 5.385 -8.185 1.00 0.00 N ATOM 765 CA PRO A 49 5.715 4.753 -7.042 1.00 0.00 C ATOM 766 C PRO A 49 4.199 4.984 -7.009 1.00 0.00 C ATOM 767 O PRO A 49 3.609 5.517 -7.955 1.00 0.00 O ATOM 768 CB PRO A 49 6.366 5.425 -5.821 1.00 0.00 C ATOM 769 CG PRO A 49 7.448 6.307 -6.350 1.00 0.00 C ATOM 770 CD PRO A 49 7.101 6.599 -7.777 1.00 0.00 C ATOM 0 HA PRO A 49 5.830 3.670 -7.081 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.633 6.004 -5.260 1.00 0.00 H new ATOM 0 HB3 PRO A 49 6.773 4.679 -5.138 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.515 7.228 -5.771 1.00 0.00 H new ATOM 0 HG3 PRO A 49 8.418 5.815 -6.280 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.476 7.487 -7.869 1.00 0.00 H new ATOM 0 HD3 PRO A 49 7.990 6.770 -8.384 1.00 0.00 H new ATOM 778 N ILE A 50 3.586 4.571 -5.905 1.00 0.00 N ATOM 779 CA ILE A 50 2.150 4.712 -5.693 1.00 0.00 C ATOM 780 C ILE A 50 1.890 5.476 -4.398 1.00 0.00 C ATOM 781 O ILE A 50 2.586 5.268 -3.400 1.00 0.00 O ATOM 782 CB ILE A 50 1.461 3.330 -5.602 1.00 0.00 C ATOM 783 CG1 ILE A 50 1.808 2.474 -6.822 1.00 0.00 C ATOM 784 CG2 ILE A 50 -0.050 3.495 -5.481 1.00 0.00 C ATOM 785 CD1 ILE A 50 1.244 1.070 -6.758 1.00 0.00 C ATOM 0 H ILE A 50 4.074 4.126 -5.128 1.00 0.00 H new ATOM 0 HA ILE A 50 1.739 5.257 -6.542 1.00 0.00 H new ATOM 0 HB ILE A 50 1.827 2.822 -4.710 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.433 2.966 -7.719 1.00 0.00 H new ATOM 0 HG13 ILE A 50 2.892 2.417 -6.919 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.519 2.513 -5.418 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -0.283 4.067 -4.583 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.430 4.023 -6.356 1.00 0.00 H new ATOM 0 HD11 ILE A 50 1.530 0.522 -7.656 1.00 0.00 H new ATOM 0 HD12 ILE A 50 1.638 0.559 -5.880 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.157 1.117 -6.693 1.00 0.00 H new ATOM 797 N GLU A 51 0.907 6.366 -4.422 1.00 0.00 N ATOM 798 CA GLU A 51 0.519 7.108 -3.230 1.00 0.00 C ATOM 799 C GLU A 51 -0.804 6.580 -2.690 1.00 0.00 C ATOM 800 O GLU A 51 -1.812 6.562 -3.402 1.00 0.00 O ATOM 801 CB GLU A 51 0.388 8.599 -3.535 1.00 0.00 C ATOM 802 CG GLU A 51 1.672 9.244 -4.029 1.00 0.00 C ATOM 803 CD GLU A 51 1.537 10.741 -4.186 1.00 0.00 C ATOM 804 OE1 GLU A 51 1.774 11.470 -3.199 1.00 0.00 O ATOM 805 OE2 GLU A 51 1.183 11.199 -5.293 1.00 0.00 O ATOM 0 H GLU A 51 0.363 6.592 -5.255 1.00 0.00 H new ATOM 0 HA GLU A 51 1.297 6.972 -2.479 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.389 8.739 -4.286 1.00 0.00 H new ATOM 0 HB3 GLU A 51 0.057 9.116 -2.634 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.479 9.025 -3.329 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.952 8.804 -4.986 1.00 0.00 H new ATOM 812 N VAL A 52 -0.801 6.145 -1.440 1.00 0.00 N ATOM 813 CA VAL A 52 -2.002 5.609 -0.816 1.00 0.00 C ATOM 814 C VAL A 52 -2.268 6.280 0.527 1.00 0.00 C ATOM 815 O VAL A 52 -1.339 6.584 1.275 1.00 0.00 O ATOM 816 CB VAL A 52 -1.910 4.078 -0.613 1.00 0.00 C ATOM 817 CG1 VAL A 52 -1.916 3.353 -1.949 1.00 0.00 C ATOM 818 CG2 VAL A 52 -0.666 3.708 0.184 1.00 0.00 C ATOM 0 H VAL A 52 0.021 6.152 -0.836 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.828 5.820 -1.495 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.787 3.764 -0.046 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.850 2.278 -1.780 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.839 3.581 -2.482 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.063 3.679 -2.544 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -0.625 2.626 0.313 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.222 4.044 -0.351 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -0.704 4.189 1.162 1.00 0.00 H new ATOM 828 N ASN A 53 -3.533 6.519 0.819 1.00 0.00 N ATOM 829 CA ASN A 53 -3.927 7.103 2.094 1.00 0.00 C ATOM 830 C ASN A 53 -4.351 5.993 3.047 1.00 0.00 C ATOM 831 O ASN A 53 -5.443 5.441 2.915 1.00 0.00 O ATOM 832 CB ASN A 53 -5.080 8.097 1.895 1.00 0.00 C ATOM 833 CG ASN A 53 -5.429 8.878 3.155 1.00 0.00 C ATOM 834 OD1 ASN A 53 -5.231 8.414 4.276 1.00 0.00 O ATOM 835 ND2 ASN A 53 -5.975 10.071 2.974 1.00 0.00 N ATOM 0 H ASN A 53 -4.310 6.318 0.190 1.00 0.00 H new ATOM 0 HA ASN A 53 -3.079 7.642 2.518 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -4.813 8.798 1.104 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -5.963 7.555 1.556 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -6.246 10.636 3.779 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -6.125 10.425 2.029 1.00 0.00 H new ATOM 842 N CYS A 54 -3.481 5.657 3.989 1.00 0.00 N ATOM 843 CA CYS A 54 -3.750 4.574 4.920 1.00 0.00 C ATOM 844 C CYS A 54 -3.971 5.114 6.328 1.00 0.00 C ATOM 845 O CYS A 54 -3.073 5.717 6.919 1.00 0.00 O ATOM 846 CB CYS A 54 -2.607 3.554 4.911 1.00 0.00 C ATOM 847 SG CYS A 54 -2.924 2.087 5.921 1.00 0.00 S ATOM 0 H CYS A 54 -2.583 6.120 4.128 1.00 0.00 H new ATOM 0 HA CYS A 54 -4.662 4.071 4.598 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -2.420 3.242 3.884 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -1.698 4.039 5.267 1.00 0.00 H new ATOM 0 HG CYS A 54 -2.060 2.033 6.891 1.00 0.00 H new ATOM 853 N ASN A 55 -5.182 4.913 6.846 1.00 0.00 N ATOM 854 CA ASN A 55 -5.540 5.337 8.203 1.00 0.00 C ATOM 855 C ASN A 55 -5.414 6.851 8.384 1.00 0.00 C ATOM 856 O ASN A 55 -5.237 7.343 9.502 1.00 0.00 O ATOM 857 CB ASN A 55 -4.684 4.607 9.249 1.00 0.00 C ATOM 858 CG ASN A 55 -5.164 3.190 9.514 1.00 0.00 C ATOM 859 OD1 ASN A 55 -6.035 2.970 10.355 1.00 0.00 O ATOM 860 ND2 ASN A 55 -4.591 2.215 8.819 1.00 0.00 N ATOM 0 H ASN A 55 -5.941 4.454 6.342 1.00 0.00 H new ATOM 0 HA ASN A 55 -6.586 5.070 8.353 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -3.649 4.578 8.909 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -4.698 5.171 10.182 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -4.870 1.246 8.974 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -3.872 2.435 8.130 1.00 0.00 H new ATOM 867 N GLY A 56 -5.530 7.589 7.288 1.00 0.00 N ATOM 868 CA GLY A 56 -5.471 9.037 7.357 1.00 0.00 C ATOM 869 C GLY A 56 -4.080 9.573 7.081 1.00 0.00 C ATOM 870 O GLY A 56 -3.850 10.780 7.128 1.00 0.00 O ATOM 0 H GLY A 56 -5.664 7.210 6.350 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -6.170 9.461 6.636 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -5.794 9.364 8.345 1.00 0.00 H new ATOM 874 N MET A 57 -3.151 8.675 6.801 1.00 0.00 N ATOM 875 CA MET A 57 -1.780 9.056 6.507 1.00 0.00 C ATOM 876 C MET A 57 -1.428 8.687 5.076 1.00 0.00 C ATOM 877 O MET A 57 -1.617 7.547 4.655 1.00 0.00 O ATOM 878 CB MET A 57 -0.823 8.398 7.505 1.00 0.00 C ATOM 879 CG MET A 57 -0.905 9.015 8.894 1.00 0.00 C ATOM 880 SD MET A 57 -0.079 8.034 10.160 1.00 0.00 S ATOM 881 CE MET A 57 -1.140 6.591 10.207 1.00 0.00 C ATOM 0 H MET A 57 -3.323 7.670 6.771 1.00 0.00 H new ATOM 0 HA MET A 57 -1.680 10.137 6.609 1.00 0.00 H new ATOM 0 HB2 MET A 57 -1.049 7.334 7.571 1.00 0.00 H new ATOM 0 HB3 MET A 57 0.198 8.484 7.134 1.00 0.00 H new ATOM 0 HG2 MET A 57 -0.461 10.010 8.869 1.00 0.00 H new ATOM 0 HG3 MET A 57 -1.953 9.140 9.167 1.00 0.00 H new ATOM 0 HE1 MET A 57 -0.956 6.034 11.126 1.00 0.00 H new ATOM 0 HE2 MET A 57 -2.183 6.905 10.176 1.00 0.00 H new ATOM 0 HE3 MET A 57 -0.927 5.955 9.348 1.00 0.00 H new ATOM 891 N LEU A 58 -0.942 9.666 4.326 1.00 0.00 N ATOM 892 CA LEU A 58 -0.598 9.459 2.929 1.00 0.00 C ATOM 893 C LEU A 58 0.803 8.879 2.822 1.00 0.00 C ATOM 894 O LEU A 58 1.787 9.535 3.172 1.00 0.00 O ATOM 895 CB LEU A 58 -0.683 10.772 2.139 1.00 0.00 C ATOM 896 CG LEU A 58 -2.092 11.350 1.946 1.00 0.00 C ATOM 897 CD1 LEU A 58 -2.657 11.895 3.252 1.00 0.00 C ATOM 898 CD2 LEU A 58 -2.072 12.436 0.885 1.00 0.00 C ATOM 0 H LEU A 58 -0.777 10.614 4.664 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.314 8.758 2.501 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.072 11.518 2.646 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.240 10.611 1.156 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.743 10.541 1.616 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.655 12.296 3.077 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.712 11.093 3.988 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.008 12.687 3.627 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.077 12.838 0.757 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.398 13.235 1.195 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.727 12.016 -0.059 1.00 0.00 H new ATOM 910 N LEU A 59 0.885 7.645 2.357 1.00 0.00 N ATOM 911 CA LEU A 59 2.150 6.938 2.287 1.00 0.00 C ATOM 912 C LEU A 59 2.532 6.719 0.828 1.00 0.00 C ATOM 913 O LEU A 59 1.690 6.342 0.011 1.00 0.00 O ATOM 914 CB LEU A 59 2.053 5.577 2.995 1.00 0.00 C ATOM 915 CG LEU A 59 1.036 5.475 4.141 1.00 0.00 C ATOM 916 CD1 LEU A 59 1.043 4.072 4.716 1.00 0.00 C ATOM 917 CD2 LEU A 59 1.316 6.493 5.242 1.00 0.00 C ATOM 0 H LEU A 59 0.085 7.110 2.020 1.00 0.00 H new ATOM 0 HA LEU A 59 2.910 7.540 2.785 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.805 4.821 2.250 1.00 0.00 H new ATOM 0 HB3 LEU A 59 3.038 5.326 3.389 1.00 0.00 H new ATOM 0 HG LEU A 59 0.051 5.697 3.730 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.319 4.008 5.528 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.778 3.358 3.936 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.037 3.840 5.097 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.574 6.387 6.033 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.311 6.321 5.652 1.00 0.00 H new ATOM 0 HD23 LEU A 59 1.264 7.500 4.828 1.00 0.00 H new ATOM 929 N THR A 60 3.788 6.967 0.504 1.00 0.00 N ATOM 930 CA THR A 60 4.287 6.739 -0.841 1.00 0.00 C ATOM 931 C THR A 60 5.294 5.596 -0.834 1.00 0.00 C ATOM 932 O THR A 60 6.253 5.611 -0.060 1.00 0.00 O ATOM 933 CB THR A 60 4.968 7.998 -1.422 1.00 0.00 C ATOM 934 OG1 THR A 60 4.141 9.156 -1.214 1.00 0.00 O ATOM 935 CG2 THR A 60 5.231 7.822 -2.913 1.00 0.00 C ATOM 0 H THR A 60 4.484 7.328 1.156 1.00 0.00 H new ATOM 0 HA THR A 60 3.431 6.489 -1.467 1.00 0.00 H new ATOM 0 HB THR A 60 5.918 8.139 -0.907 1.00 0.00 H new ATOM 0 HG1 THR A 60 4.586 9.946 -1.585 1.00 0.00 H new ATOM 0 HG21 THR A 60 5.711 8.718 -3.306 1.00 0.00 H new ATOM 0 HG22 THR A 60 5.884 6.963 -3.068 1.00 0.00 H new ATOM 0 HG23 THR A 60 4.287 7.659 -3.432 1.00 0.00 H new ATOM 943 N MET A 61 5.069 4.603 -1.678 1.00 0.00 N ATOM 944 CA MET A 61 5.975 3.466 -1.782 1.00 0.00 C ATOM 945 C MET A 61 6.001 2.940 -3.207 1.00 0.00 C ATOM 946 O MET A 61 5.165 3.314 -4.027 1.00 0.00 O ATOM 947 CB MET A 61 5.585 2.364 -0.787 1.00 0.00 C ATOM 948 CG MET A 61 4.127 1.939 -0.858 1.00 0.00 C ATOM 949 SD MET A 61 3.747 0.962 -2.318 1.00 0.00 S ATOM 950 CE MET A 61 1.987 0.743 -2.114 1.00 0.00 C ATOM 0 H MET A 61 4.265 4.559 -2.304 1.00 0.00 H new ATOM 0 HA MET A 61 6.981 3.799 -1.526 1.00 0.00 H new ATOM 0 HB2 MET A 61 6.214 1.492 -0.965 1.00 0.00 H new ATOM 0 HB3 MET A 61 5.801 2.711 0.223 1.00 0.00 H new ATOM 0 HG2 MET A 61 3.879 1.362 0.033 1.00 0.00 H new ATOM 0 HG3 MET A 61 3.495 2.827 -0.848 1.00 0.00 H new ATOM 0 HE1 MET A 61 1.485 0.923 -3.065 1.00 0.00 H new ATOM 0 HE2 MET A 61 1.783 -0.275 -1.783 1.00 0.00 H new ATOM 0 HE3 MET A 61 1.617 1.448 -1.369 1.00 0.00 H new ATOM 960 N ARG A 62 6.961 2.077 -3.494 1.00 0.00 N ATOM 961 CA ARG A 62 7.178 1.604 -4.853 1.00 0.00 C ATOM 962 C ARG A 62 6.155 0.542 -5.234 1.00 0.00 C ATOM 963 O ARG A 62 5.776 -0.290 -4.407 1.00 0.00 O ATOM 964 CB ARG A 62 8.596 1.051 -5.006 1.00 0.00 C ATOM 965 CG ARG A 62 9.684 2.003 -4.526 1.00 0.00 C ATOM 966 CD ARG A 62 9.547 3.389 -5.147 1.00 0.00 C ATOM 967 NE ARG A 62 9.664 3.362 -6.605 1.00 0.00 N ATOM 968 CZ ARG A 62 10.611 4.008 -7.285 1.00 0.00 C ATOM 969 NH1 ARG A 62 11.537 4.710 -6.645 1.00 0.00 N ATOM 970 NH2 ARG A 62 10.640 3.940 -8.610 1.00 0.00 N ATOM 0 H ARG A 62 7.604 1.689 -2.804 1.00 0.00 H new ATOM 0 HA ARG A 62 7.055 2.452 -5.527 1.00 0.00 H new ATOM 0 HB2 ARG A 62 8.673 0.117 -4.450 1.00 0.00 H new ATOM 0 HB3 ARG A 62 8.772 0.813 -6.055 1.00 0.00 H new ATOM 0 HG2 ARG A 62 9.639 2.087 -3.440 1.00 0.00 H new ATOM 0 HG3 ARG A 62 10.662 1.590 -4.774 1.00 0.00 H new ATOM 0 HD2 ARG A 62 8.582 3.814 -4.871 1.00 0.00 H new ATOM 0 HD3 ARG A 62 10.314 4.046 -4.736 1.00 0.00 H new ATOM 0 HE ARG A 62 8.981 2.817 -7.132 1.00 0.00 H new ATOM 0 HH11 ARG A 62 11.527 4.758 -5.626 1.00 0.00 H new ATOM 0 HH12 ARG A 62 12.259 5.202 -7.172 1.00 0.00 H new ATOM 0 HH21 ARG A 62 9.938 3.393 -9.108 1.00 0.00 H new ATOM 0 HH22 ARG A 62 11.365 4.434 -9.130 1.00 0.00 H new ATOM 984 N ARG A 63 5.734 0.562 -6.495 1.00 0.00 N ATOM 985 CA ARG A 63 4.713 -0.357 -6.991 1.00 0.00 C ATOM 986 C ARG A 63 5.124 -1.810 -6.783 1.00 0.00 C ATOM 987 O ARG A 63 4.290 -2.666 -6.491 1.00 0.00 O ATOM 988 CB ARG A 63 4.444 -0.133 -8.479 1.00 0.00 C ATOM 989 CG ARG A 63 3.503 -1.175 -9.054 1.00 0.00 C ATOM 990 CD ARG A 63 3.673 -1.349 -10.550 1.00 0.00 C ATOM 991 NE ARG A 63 3.455 -2.740 -10.943 1.00 0.00 N ATOM 992 CZ ARG A 63 2.454 -3.159 -11.715 1.00 0.00 C ATOM 993 NH1 ARG A 63 1.573 -2.295 -12.200 1.00 0.00 N ATOM 994 NH2 ARG A 63 2.337 -4.451 -11.992 1.00 0.00 N ATOM 0 H ARG A 63 6.088 1.211 -7.198 1.00 0.00 H new ATOM 0 HA ARG A 63 3.806 -0.154 -6.422 1.00 0.00 H new ATOM 0 HB2 ARG A 63 4.017 0.859 -8.624 1.00 0.00 H new ATOM 0 HB3 ARG A 63 5.387 -0.157 -9.025 1.00 0.00 H new ATOM 0 HG2 ARG A 63 3.677 -2.130 -8.558 1.00 0.00 H new ATOM 0 HG3 ARG A 63 2.474 -0.888 -8.840 1.00 0.00 H new ATOM 0 HD2 ARG A 63 2.970 -0.704 -11.077 1.00 0.00 H new ATOM 0 HD3 ARG A 63 4.675 -1.037 -10.845 1.00 0.00 H new ATOM 0 HE ARG A 63 4.116 -3.438 -10.602 1.00 0.00 H new ATOM 0 HH11 ARG A 63 1.659 -1.302 -11.983 1.00 0.00 H new ATOM 0 HH12 ARG A 63 0.809 -2.623 -12.791 1.00 0.00 H new ATOM 0 HH21 ARG A 63 3.011 -5.117 -11.614 1.00 0.00 H new ATOM 0 HH22 ARG A 63 1.573 -4.779 -12.583 1.00 0.00 H new ATOM 1008 N ASN A 64 6.409 -2.084 -6.943 1.00 0.00 N ATOM 1009 CA ASN A 64 6.929 -3.439 -6.791 1.00 0.00 C ATOM 1010 C ASN A 64 6.631 -3.993 -5.402 1.00 0.00 C ATOM 1011 O ASN A 64 6.398 -5.192 -5.240 1.00 0.00 O ATOM 1012 CB ASN A 64 8.436 -3.481 -7.082 1.00 0.00 C ATOM 1013 CG ASN A 64 9.209 -2.364 -6.403 1.00 0.00 C ATOM 1014 OD1 ASN A 64 9.368 -1.280 -6.964 1.00 0.00 O ATOM 1015 ND2 ASN A 64 9.693 -2.611 -5.198 1.00 0.00 N ATOM 0 H ASN A 64 7.115 -1.386 -7.179 1.00 0.00 H new ATOM 0 HA ASN A 64 6.422 -4.073 -7.519 1.00 0.00 H new ATOM 0 HB2 ASN A 64 8.836 -4.441 -6.755 1.00 0.00 H new ATOM 0 HB3 ASN A 64 8.593 -3.420 -8.159 1.00 0.00 H new ATOM 0 HD21 ASN A 64 10.218 -1.891 -4.702 1.00 0.00 H new ATOM 0 HD22 ASN A 64 9.541 -3.522 -4.764 1.00 0.00 H new ATOM 1022 N GLU A 65 6.612 -3.119 -4.406 1.00 0.00 N ATOM 1023 CA GLU A 65 6.290 -3.532 -3.049 1.00 0.00 C ATOM 1024 C GLU A 65 4.791 -3.758 -2.908 1.00 0.00 C ATOM 1025 O GLU A 65 4.361 -4.678 -2.219 1.00 0.00 O ATOM 1026 CB GLU A 65 6.787 -2.507 -2.039 1.00 0.00 C ATOM 1027 CG GLU A 65 8.284 -2.250 -2.159 1.00 0.00 C ATOM 1028 CD GLU A 65 9.125 -3.519 -2.060 1.00 0.00 C ATOM 1029 OE1 GLU A 65 9.124 -4.322 -3.022 1.00 0.00 O ATOM 1030 OE2 GLU A 65 9.817 -3.703 -1.038 1.00 0.00 O ATOM 0 H GLU A 65 6.815 -2.125 -4.511 1.00 0.00 H new ATOM 0 HA GLU A 65 6.799 -4.474 -2.843 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.248 -1.570 -2.181 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.561 -2.855 -1.031 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.486 -1.762 -3.112 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.591 -1.557 -1.375 1.00 0.00 H new ATOM 1037 N ALA A 66 4.004 -2.929 -3.593 1.00 0.00 N ATOM 1038 CA ALA A 66 2.547 -3.070 -3.605 1.00 0.00 C ATOM 1039 C ALA A 66 2.132 -4.396 -4.233 1.00 0.00 C ATOM 1040 O ALA A 66 1.100 -4.966 -3.878 1.00 0.00 O ATOM 1041 CB ALA A 66 1.901 -1.919 -4.359 1.00 0.00 C ATOM 0 H ALA A 66 4.353 -2.149 -4.150 1.00 0.00 H new ATOM 0 HA ALA A 66 2.204 -3.051 -2.570 1.00 0.00 H new ATOM 0 HB1 ALA A 66 0.818 -2.044 -4.356 1.00 0.00 H new ATOM 0 HB2 ALA A 66 2.159 -0.977 -3.875 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.262 -1.910 -5.388 1.00 0.00 H new ATOM 1047 N GLU A 67 2.929 -4.872 -5.185 1.00 0.00 N ATOM 1048 CA GLU A 67 2.699 -6.175 -5.798 1.00 0.00 C ATOM 1049 C GLU A 67 2.886 -7.283 -4.763 1.00 0.00 C ATOM 1050 O GLU A 67 2.202 -8.303 -4.795 1.00 0.00 O ATOM 1051 CB GLU A 67 3.651 -6.378 -6.979 1.00 0.00 C ATOM 1052 CG GLU A 67 3.503 -5.320 -8.056 1.00 0.00 C ATOM 1053 CD GLU A 67 4.520 -5.464 -9.166 1.00 0.00 C ATOM 1054 OE1 GLU A 67 5.725 -5.278 -8.898 1.00 0.00 O ATOM 1055 OE2 GLU A 67 4.124 -5.752 -10.313 1.00 0.00 O ATOM 0 H GLU A 67 3.741 -4.373 -5.549 1.00 0.00 H new ATOM 0 HA GLU A 67 1.675 -6.215 -6.168 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.678 -6.374 -6.614 1.00 0.00 H new ATOM 0 HB3 GLU A 67 3.472 -7.360 -7.417 1.00 0.00 H new ATOM 0 HG2 GLU A 67 2.500 -5.377 -8.479 1.00 0.00 H new ATOM 0 HG3 GLU A 67 3.603 -4.333 -7.605 1.00 0.00 H new ATOM 1062 N GLY A 68 3.836 -7.080 -3.860 1.00 0.00 N ATOM 1063 CA GLY A 68 4.019 -7.985 -2.741 1.00 0.00 C ATOM 1064 C GLY A 68 2.874 -7.923 -1.739 1.00 0.00 C ATOM 1065 O GLY A 68 2.683 -8.841 -0.938 1.00 0.00 O ATOM 0 H GLY A 68 4.489 -6.297 -3.883 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.113 -9.004 -3.116 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.953 -7.744 -2.234 1.00 0.00 H new ATOM 1069 N ILE A 69 2.125 -6.829 -1.770 1.00 0.00 N ATOM 1070 CA ILE A 69 1.049 -6.605 -0.815 1.00 0.00 C ATOM 1071 C ILE A 69 -0.260 -7.224 -1.294 1.00 0.00 C ATOM 1072 O ILE A 69 -0.715 -6.976 -2.412 1.00 0.00 O ATOM 1073 CB ILE A 69 0.829 -5.099 -0.557 1.00 0.00 C ATOM 1074 CG1 ILE A 69 2.125 -4.440 -0.080 1.00 0.00 C ATOM 1075 CG2 ILE A 69 -0.276 -4.891 0.472 1.00 0.00 C ATOM 1076 CD1 ILE A 69 2.033 -2.932 0.036 1.00 0.00 C ATOM 0 H ILE A 69 2.244 -6.079 -2.451 1.00 0.00 H new ATOM 0 HA ILE A 69 1.352 -7.087 0.115 1.00 0.00 H new ATOM 0 HB ILE A 69 0.527 -4.632 -1.494 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.397 -4.855 0.891 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.928 -4.694 -0.772 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.418 -3.824 0.642 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -1.204 -5.326 0.102 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.003 -5.374 1.408 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.988 -2.535 0.379 1.00 0.00 H new ATOM 0 HD12 ILE A 69 1.792 -2.506 -0.938 1.00 0.00 H new ATOM 0 HD13 ILE A 69 1.253 -2.669 0.750 1.00 0.00 H new ATOM 1088 N THR A 70 -0.855 -8.028 -0.430 1.00 0.00 N ATOM 1089 CA THR A 70 -2.140 -8.638 -0.696 1.00 0.00 C ATOM 1090 C THR A 70 -3.225 -7.909 0.092 1.00 0.00 C ATOM 1091 O THR A 70 -3.131 -7.770 1.315 1.00 0.00 O ATOM 1092 CB THR A 70 -2.118 -10.126 -0.309 1.00 0.00 C ATOM 1093 OG1 THR A 70 -0.954 -10.747 -0.875 1.00 0.00 O ATOM 1094 CG2 THR A 70 -3.366 -10.843 -0.801 1.00 0.00 C ATOM 0 H THR A 70 -0.458 -8.275 0.476 1.00 0.00 H new ATOM 0 HA THR A 70 -2.354 -8.561 -1.762 1.00 0.00 H new ATOM 0 HB THR A 70 -2.091 -10.198 0.778 1.00 0.00 H new ATOM 0 HG1 THR A 70 -0.937 -11.695 -0.628 1.00 0.00 H new ATOM 0 HG21 THR A 70 -3.320 -11.893 -0.512 1.00 0.00 H new ATOM 0 HG22 THR A 70 -4.249 -10.382 -0.358 1.00 0.00 H new ATOM 0 HG23 THR A 70 -3.424 -10.768 -1.887 1.00 0.00 H new ATOM 1102 N VAL A 71 -4.240 -7.424 -0.608 1.00 0.00 N ATOM 1103 CA VAL A 71 -5.290 -6.641 0.025 1.00 0.00 C ATOM 1104 C VAL A 71 -6.672 -7.190 -0.305 1.00 0.00 C ATOM 1105 O VAL A 71 -6.852 -7.922 -1.283 1.00 0.00 O ATOM 1106 CB VAL A 71 -5.238 -5.155 -0.398 1.00 0.00 C ATOM 1107 CG1 VAL A 71 -3.961 -4.494 0.096 1.00 0.00 C ATOM 1108 CG2 VAL A 71 -5.369 -5.017 -1.911 1.00 0.00 C ATOM 0 H VAL A 71 -4.358 -7.559 -1.612 1.00 0.00 H new ATOM 0 HA VAL A 71 -5.114 -6.714 1.098 1.00 0.00 H new ATOM 0 HB VAL A 71 -6.083 -4.644 0.064 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -3.948 -3.449 -0.215 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.920 -4.550 1.184 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.098 -5.008 -0.327 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -5.330 -3.963 -2.185 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -4.551 -5.549 -2.397 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.320 -5.441 -2.234 1.00 0.00 H new ATOM 1118 N HIS A 72 -7.634 -6.839 0.530 1.00 0.00 N ATOM 1119 CA HIS A 72 -9.030 -7.163 0.295 1.00 0.00 C ATOM 1120 C HIS A 72 -9.813 -5.862 0.133 1.00 0.00 C ATOM 1121 O HIS A 72 -9.836 -5.035 1.041 1.00 0.00 O ATOM 1122 CB HIS A 72 -9.576 -7.991 1.468 1.00 0.00 C ATOM 1123 CG HIS A 72 -11.009 -8.406 1.327 1.00 0.00 C ATOM 1124 ND1 HIS A 72 -11.354 -9.644 0.841 1.00 0.00 N ATOM 1125 CD2 HIS A 72 -12.137 -7.724 1.640 1.00 0.00 C ATOM 1126 CE1 HIS A 72 -12.675 -9.688 0.872 1.00 0.00 C ATOM 1127 NE2 HIS A 72 -13.191 -8.546 1.346 1.00 0.00 N ATOM 0 H HIS A 72 -7.469 -6.320 1.392 1.00 0.00 H new ATOM 0 HA HIS A 72 -9.133 -7.757 -0.613 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -8.962 -8.885 1.581 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -9.468 -7.412 2.385 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -12.194 -6.724 2.044 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -13.263 -10.537 0.555 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -14.181 -8.330 1.465 1.00 0.00 H new ATOM 1135 N ILE A 73 -10.433 -5.680 -1.025 1.00 0.00 N ATOM 1136 CA ILE A 73 -11.117 -4.430 -1.346 1.00 0.00 C ATOM 1137 C ILE A 73 -12.239 -4.132 -0.353 1.00 0.00 C ATOM 1138 O ILE A 73 -13.005 -5.019 0.022 1.00 0.00 O ATOM 1139 CB ILE A 73 -11.702 -4.464 -2.778 1.00 0.00 C ATOM 1140 CG1 ILE A 73 -10.585 -4.706 -3.797 1.00 0.00 C ATOM 1141 CG2 ILE A 73 -12.441 -3.168 -3.097 1.00 0.00 C ATOM 1142 CD1 ILE A 73 -11.054 -4.676 -5.238 1.00 0.00 C ATOM 0 H ILE A 73 -10.478 -6.384 -1.762 1.00 0.00 H new ATOM 0 HA ILE A 73 -10.370 -3.639 -1.281 1.00 0.00 H new ATOM 0 HB ILE A 73 -12.418 -5.284 -2.837 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -9.812 -3.950 -3.661 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -10.125 -5.673 -3.595 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -12.842 -3.218 -4.109 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -13.258 -3.031 -2.389 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -11.751 -2.328 -3.021 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -10.207 -4.855 -5.900 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -11.805 -5.450 -5.392 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -11.487 -3.701 -5.459 1.00 0.00 H new ATOM 1154 N LEU A 74 -12.323 -2.873 0.066 1.00 0.00 N ATOM 1155 CA LEU A 74 -13.376 -2.433 0.968 1.00 0.00 C ATOM 1156 C LEU A 74 -14.668 -2.218 0.195 1.00 0.00 C ATOM 1157 O LEU A 74 -15.081 -1.084 -0.064 1.00 0.00 O ATOM 1158 CB LEU A 74 -12.969 -1.149 1.697 1.00 0.00 C ATOM 1159 CG LEU A 74 -11.782 -1.298 2.646 1.00 0.00 C ATOM 1160 CD1 LEU A 74 -11.455 0.032 3.303 1.00 0.00 C ATOM 1161 CD2 LEU A 74 -12.078 -2.355 3.698 1.00 0.00 C ATOM 0 H LEU A 74 -11.670 -2.139 -0.208 1.00 0.00 H new ATOM 0 HA LEU A 74 -13.537 -3.209 1.716 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -12.729 -0.388 0.955 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -13.825 -0.783 2.264 1.00 0.00 H new ATOM 0 HG LEU A 74 -10.914 -1.617 2.069 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -10.607 -0.093 3.976 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -11.205 0.765 2.536 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -12.319 0.380 3.869 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -11.223 -2.451 4.368 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -12.957 -2.061 4.271 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -12.266 -3.311 3.210 1.00 0.00 H new ATOM 1173 N ALA A 75 -15.273 -3.326 -0.197 1.00 0.00 N ATOM 1174 CA ALA A 75 -16.496 -3.330 -0.980 1.00 0.00 C ATOM 1175 C ALA A 75 -16.976 -4.763 -1.145 1.00 0.00 C ATOM 1176 O ALA A 75 -16.400 -5.683 -0.562 1.00 0.00 O ATOM 1177 CB ALA A 75 -16.268 -2.691 -2.345 1.00 0.00 C ATOM 0 H ALA A 75 -14.924 -4.259 0.022 1.00 0.00 H new ATOM 0 HA ALA A 75 -17.254 -2.746 -0.459 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -17.198 -2.705 -2.913 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -15.939 -1.660 -2.214 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -15.504 -3.250 -2.885 1.00 0.00 H new ATOM 1183 N GLY A 76 -18.015 -4.957 -1.936 1.00 0.00 N ATOM 1184 CA GLY A 76 -18.507 -6.291 -2.179 1.00 0.00 C ATOM 1185 C GLY A 76 -19.969 -6.426 -1.839 1.00 0.00 C ATOM 1186 O GLY A 76 -20.378 -6.195 -0.699 1.00 0.00 O ATOM 0 H GLY A 76 -18.526 -4.215 -2.414 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -18.354 -6.548 -3.227 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -17.930 -7.003 -1.588 1.00 0.00 H new ATOM 1190 N ASP A 77 -20.763 -6.791 -2.830 1.00 0.00 N ATOM 1191 CA ASP A 77 -22.188 -6.965 -2.628 1.00 0.00 C ATOM 1192 C ASP A 77 -22.474 -8.283 -1.935 1.00 0.00 C ATOM 1193 O ASP A 77 -21.994 -9.338 -2.351 1.00 0.00 O ATOM 1194 CB ASP A 77 -22.942 -6.893 -3.953 1.00 0.00 C ATOM 1195 CG ASP A 77 -23.273 -5.472 -4.353 1.00 0.00 C ATOM 1196 OD1 ASP A 77 -22.381 -4.770 -4.878 1.00 0.00 O ATOM 1197 OD2 ASP A 77 -24.431 -5.047 -4.139 1.00 0.00 O ATOM 0 H ASP A 77 -20.444 -6.972 -3.782 1.00 0.00 H new ATOM 0 HA ASP A 77 -22.536 -6.152 -1.991 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -22.341 -7.357 -4.735 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -23.864 -7.469 -3.875 1.00 0.00 H new ATOM 1202 N GLU A 78 -23.264 -8.203 -0.876 1.00 0.00 N ATOM 1203 CA GLU A 78 -23.630 -9.366 -0.077 1.00 0.00 C ATOM 1204 C GLU A 78 -24.443 -10.361 -0.904 1.00 0.00 C ATOM 1205 O GLU A 78 -24.453 -11.561 -0.624 1.00 0.00 O ATOM 1206 CB GLU A 78 -24.430 -8.895 1.139 1.00 0.00 C ATOM 1207 CG GLU A 78 -24.903 -10.005 2.056 1.00 0.00 C ATOM 1208 CD GLU A 78 -25.778 -9.476 3.168 1.00 0.00 C ATOM 1209 OE1 GLU A 78 -26.926 -9.075 2.878 1.00 0.00 O ATOM 1210 OE2 GLU A 78 -25.323 -9.451 4.331 1.00 0.00 O ATOM 0 H GLU A 78 -23.671 -7.329 -0.544 1.00 0.00 H new ATOM 0 HA GLU A 78 -22.726 -9.877 0.254 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -23.815 -8.204 1.715 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -25.298 -8.335 0.791 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -25.457 -10.744 1.477 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -24.040 -10.516 2.483 1.00 0.00 H new ATOM 1217 N GLY A 79 -25.106 -9.856 -1.935 1.00 0.00 N ATOM 1218 CA GLY A 79 -25.918 -10.704 -2.786 1.00 0.00 C ATOM 1219 C GLY A 79 -25.101 -11.442 -3.833 1.00 0.00 C ATOM 1220 O GLY A 79 -25.650 -12.226 -4.612 1.00 0.00 O ATOM 0 H GLY A 79 -25.096 -8.871 -2.198 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -26.449 -11.429 -2.169 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -26.673 -10.095 -3.284 1.00 0.00 H new ATOM 1224 N HIS A 80 -23.792 -11.200 -3.853 1.00 0.00 N ATOM 1225 CA HIS A 80 -22.900 -11.841 -4.819 1.00 0.00 C ATOM 1226 C HIS A 80 -21.818 -12.648 -4.104 1.00 0.00 C ATOM 1227 O HIS A 80 -20.730 -12.136 -3.826 1.00 0.00 O ATOM 1228 CB HIS A 80 -22.238 -10.803 -5.733 1.00 0.00 C ATOM 1229 CG HIS A 80 -23.201 -9.977 -6.535 1.00 0.00 C ATOM 1230 ND1 HIS A 80 -23.050 -8.618 -6.653 1.00 0.00 N ATOM 1231 CD2 HIS A 80 -24.289 -10.363 -7.245 1.00 0.00 C ATOM 1232 CE1 HIS A 80 -24.040 -8.207 -7.427 1.00 0.00 C ATOM 1233 NE2 HIS A 80 -24.816 -9.228 -7.810 1.00 0.00 N ATOM 0 H HIS A 80 -23.323 -10.563 -3.209 1.00 0.00 H new ATOM 0 HA HIS A 80 -23.506 -12.512 -5.428 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -21.628 -10.137 -5.123 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -21.563 -11.317 -6.417 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -24.668 -11.369 -7.347 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -24.202 -7.178 -7.714 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -25.641 -9.173 -8.407 1.00 0.00 H new ATOM 1241 N PRO A 81 -22.113 -13.910 -3.757 1.00 0.00 N ATOM 1242 CA PRO A 81 -21.169 -14.788 -3.085 1.00 0.00 C ATOM 1243 C PRO A 81 -20.235 -15.485 -4.070 1.00 0.00 C ATOM 1244 O PRO A 81 -20.562 -16.542 -4.618 1.00 0.00 O ATOM 1245 CB PRO A 81 -22.066 -15.814 -2.371 1.00 0.00 C ATOM 1246 CG PRO A 81 -23.475 -15.505 -2.792 1.00 0.00 C ATOM 1247 CD PRO A 81 -23.386 -14.588 -3.981 1.00 0.00 C ATOM 0 HA PRO A 81 -20.515 -14.240 -2.406 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -21.791 -16.831 -2.649 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -21.958 -15.739 -1.289 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -24.010 -16.419 -3.049 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -24.025 -15.031 -1.979 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -23.393 -15.139 -4.921 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -24.220 -13.887 -4.017 1.00 0.00 H new ATOM 1255 N HIS A 82 -19.089 -14.875 -4.320 1.00 0.00 N ATOM 1256 CA HIS A 82 -18.097 -15.455 -5.213 1.00 0.00 C ATOM 1257 C HIS A 82 -16.814 -15.756 -4.457 1.00 0.00 C ATOM 1258 O HIS A 82 -16.038 -14.853 -4.145 1.00 0.00 O ATOM 1259 CB HIS A 82 -17.807 -14.519 -6.390 1.00 0.00 C ATOM 1260 CG HIS A 82 -18.976 -14.310 -7.303 1.00 0.00 C ATOM 1261 ND1 HIS A 82 -19.654 -13.117 -7.340 1.00 0.00 N ATOM 1262 CD2 HIS A 82 -19.532 -15.161 -8.198 1.00 0.00 C ATOM 1263 CE1 HIS A 82 -20.598 -13.266 -8.250 1.00 0.00 C ATOM 1264 NE2 HIS A 82 -20.564 -14.489 -8.798 1.00 0.00 N ATOM 0 H HIS A 82 -18.821 -13.977 -3.917 1.00 0.00 H new ATOM 0 HA HIS A 82 -18.502 -16.387 -5.607 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -17.485 -13.553 -6.002 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -16.976 -14.924 -6.967 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -19.221 -16.175 -8.400 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -21.309 -12.499 -8.519 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -21.186 -14.849 -9.522 1.00 0.00 H new ATOM 1272 N GLY A 83 -16.610 -17.024 -4.142 1.00 0.00 N ATOM 1273 CA GLY A 83 -15.410 -17.428 -3.441 1.00 0.00 C ATOM 1274 C GLY A 83 -14.656 -18.502 -4.194 1.00 0.00 C ATOM 1275 O GLY A 83 -15.214 -19.152 -5.079 1.00 0.00 O ATOM 0 H GLY A 83 -17.255 -17.783 -4.360 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -14.764 -16.562 -3.298 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -15.674 -17.796 -2.450 1.00 0.00 H new ATOM 1279 N TRP A 84 -13.393 -18.694 -3.855 1.00 0.00 N ATOM 1280 CA TRP A 84 -12.574 -19.689 -4.522 1.00 0.00 C ATOM 1281 C TRP A 84 -11.659 -20.381 -3.514 1.00 0.00 C ATOM 1282 O TRP A 84 -11.159 -19.747 -2.582 1.00 0.00 O ATOM 1283 CB TRP A 84 -11.745 -19.029 -5.629 1.00 0.00 C ATOM 1284 CG TRP A 84 -11.867 -19.724 -6.953 1.00 0.00 C ATOM 1285 CD1 TRP A 84 -12.913 -19.642 -7.826 1.00 0.00 C ATOM 1286 CD2 TRP A 84 -10.909 -20.601 -7.559 1.00 0.00 C ATOM 1287 NE1 TRP A 84 -12.670 -20.422 -8.931 1.00 0.00 N ATOM 1288 CE2 TRP A 84 -11.445 -21.017 -8.792 1.00 0.00 C ATOM 1289 CE3 TRP A 84 -9.654 -21.077 -7.177 1.00 0.00 C ATOM 1290 CZ2 TRP A 84 -10.768 -21.884 -9.646 1.00 0.00 C ATOM 1291 CZ3 TRP A 84 -8.981 -21.936 -8.025 1.00 0.00 C ATOM 1292 CH2 TRP A 84 -9.540 -22.332 -9.246 1.00 0.00 C ATOM 0 H TRP A 84 -12.913 -18.173 -3.121 1.00 0.00 H new ATOM 0 HA TRP A 84 -13.225 -20.439 -4.971 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -12.060 -17.991 -5.740 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -10.697 -19.014 -5.329 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -13.803 -19.050 -7.671 1.00 0.00 H new ATOM 0 HE1 TRP A 84 -13.300 -20.539 -9.725 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -9.217 -20.779 -6.235 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -11.197 -22.191 -10.589 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -8.008 -22.308 -7.741 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -8.989 -23.006 -9.886 1.00 0.00 H new ATOM 1303 N PRO A 85 -11.428 -21.689 -3.689 1.00 0.00 N ATOM 1304 CA PRO A 85 -10.575 -22.473 -2.796 1.00 0.00 C ATOM 1305 C PRO A 85 -9.088 -22.366 -3.145 1.00 0.00 C ATOM 1306 O PRO A 85 -8.680 -21.518 -3.943 1.00 0.00 O ATOM 1307 CB PRO A 85 -11.078 -23.894 -3.031 1.00 0.00 C ATOM 1308 CG PRO A 85 -11.495 -23.905 -4.462 1.00 0.00 C ATOM 1309 CD PRO A 85 -12.006 -22.520 -4.762 1.00 0.00 C ATOM 0 HA PRO A 85 -10.636 -22.134 -1.762 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -10.297 -24.629 -2.839 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -11.912 -24.135 -2.372 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -10.656 -24.159 -5.110 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -12.270 -24.652 -4.636 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -11.686 -22.180 -5.747 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -13.095 -22.485 -4.752 1.00 0.00 H new ATOM 1317 N GLY A 86 -8.284 -23.229 -2.541 1.00 0.00 N ATOM 1318 CA GLY A 86 -6.862 -23.243 -2.807 1.00 0.00 C ATOM 1319 C GLY A 86 -6.117 -24.175 -1.875 1.00 0.00 C ATOM 1320 O GLY A 86 -6.470 -24.297 -0.699 1.00 0.00 O ATOM 0 H GLY A 86 -8.596 -23.926 -1.865 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -6.690 -23.549 -3.839 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -6.464 -22.233 -2.703 1.00 0.00 H new ATOM 1324 N PHE A 87 -5.093 -24.837 -2.393 1.00 0.00 N ATOM 1325 CA PHE A 87 -4.316 -25.785 -1.602 1.00 0.00 C ATOM 1326 C PHE A 87 -2.842 -25.394 -1.603 1.00 0.00 C ATOM 1327 O PHE A 87 -2.305 -24.973 -0.576 1.00 0.00 O ATOM 1328 CB PHE A 87 -4.485 -27.207 -2.150 1.00 0.00 C ATOM 1329 CG PHE A 87 -5.913 -27.671 -2.196 1.00 0.00 C ATOM 1330 CD1 PHE A 87 -6.541 -28.131 -1.050 1.00 0.00 C ATOM 1331 CD2 PHE A 87 -6.626 -27.647 -3.384 1.00 0.00 C ATOM 1332 CE1 PHE A 87 -7.856 -28.558 -1.089 1.00 0.00 C ATOM 1333 CE2 PHE A 87 -7.940 -28.073 -3.428 1.00 0.00 C ATOM 1334 CZ PHE A 87 -8.554 -28.530 -2.279 1.00 0.00 C ATOM 0 H PHE A 87 -4.779 -24.736 -3.358 1.00 0.00 H new ATOM 0 HA PHE A 87 -4.685 -25.761 -0.577 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -4.065 -27.252 -3.155 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -3.908 -27.896 -1.533 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -5.998 -28.156 -0.117 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -6.150 -27.291 -4.286 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -8.336 -28.913 -0.189 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -8.486 -28.048 -4.360 1.00 0.00 H new ATOM 0 HZ PHE A 87 -9.580 -28.865 -2.312 1.00 0.00 H new ATOM 1344 N ARG A 88 -2.201 -25.537 -2.764 1.00 0.00 N ATOM 1345 CA ARG A 88 -0.796 -25.172 -2.946 1.00 0.00 C ATOM 1346 C ARG A 88 0.127 -25.975 -2.035 1.00 0.00 C ATOM 1347 O ARG A 88 1.134 -25.456 -1.551 1.00 0.00 O ATOM 1348 CB ARG A 88 -0.582 -23.673 -2.708 1.00 0.00 C ATOM 1349 CG ARG A 88 -1.209 -22.788 -3.769 1.00 0.00 C ATOM 1350 CD ARG A 88 -0.877 -21.323 -3.530 1.00 0.00 C ATOM 1351 NE ARG A 88 -1.399 -20.841 -2.250 1.00 0.00 N ATOM 1352 CZ ARG A 88 -0.749 -19.998 -1.446 1.00 0.00 C ATOM 1353 NH1 ARG A 88 0.461 -19.558 -1.777 1.00 0.00 N ATOM 1354 NH2 ARG A 88 -1.307 -19.604 -0.307 1.00 0.00 N ATOM 0 H ARG A 88 -2.642 -25.909 -3.605 1.00 0.00 H new ATOM 0 HA ARG A 88 -0.542 -25.410 -3.979 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -0.996 -23.407 -1.735 1.00 0.00 H new ATOM 0 HB3 ARG A 88 0.488 -23.471 -2.666 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -0.852 -23.088 -4.754 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -2.291 -22.924 -3.767 1.00 0.00 H new ATOM 0 HD2 ARG A 88 0.204 -21.188 -3.554 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -1.291 -20.721 -4.339 1.00 0.00 H new ATOM 0 HE ARG A 88 -2.318 -21.171 -1.954 1.00 0.00 H new ATOM 0 HH11 ARG A 88 0.895 -19.865 -2.648 1.00 0.00 H new ATOM 0 HH12 ARG A 88 0.956 -18.913 -1.160 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -2.232 -19.946 -0.047 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -0.810 -18.959 0.308 1.00 0.00 H new ATOM 1368 N ARG A 89 -0.194 -27.244 -1.814 1.00 0.00 N ATOM 1369 CA ARG A 89 0.676 -28.095 -1.020 1.00 0.00 C ATOM 1370 C ARG A 89 1.840 -28.565 -1.876 1.00 0.00 C ATOM 1371 O ARG A 89 1.718 -29.517 -2.651 1.00 0.00 O ATOM 1372 CB ARG A 89 -0.069 -29.305 -0.451 1.00 0.00 C ATOM 1373 CG ARG A 89 0.792 -30.144 0.485 1.00 0.00 C ATOM 1374 CD ARG A 89 0.136 -31.470 0.838 1.00 0.00 C ATOM 1375 NE ARG A 89 -0.024 -32.333 -0.334 1.00 0.00 N ATOM 1376 CZ ARG A 89 0.631 -33.484 -0.507 1.00 0.00 C ATOM 1377 NH1 ARG A 89 1.549 -33.876 0.372 1.00 0.00 N ATOM 1378 NH2 ARG A 89 0.392 -34.232 -1.577 1.00 0.00 N ATOM 0 H ARG A 89 -1.036 -27.698 -2.168 1.00 0.00 H new ATOM 0 HA ARG A 89 1.041 -27.508 -0.177 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -0.953 -28.961 0.086 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -0.419 -29.930 -1.273 1.00 0.00 H new ATOM 0 HG2 ARG A 89 1.758 -30.332 0.016 1.00 0.00 H new ATOM 0 HG3 ARG A 89 0.986 -29.582 1.399 1.00 0.00 H new ATOM 0 HD2 ARG A 89 0.738 -31.984 1.587 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -0.840 -31.284 1.287 1.00 0.00 H new ATOM 0 HE ARG A 89 -0.675 -32.037 -1.062 1.00 0.00 H new ATOM 0 HH11 ARG A 89 1.757 -33.296 1.185 1.00 0.00 H new ATOM 0 HH12 ARG A 89 2.045 -34.756 0.233 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -0.293 -33.928 -2.269 1.00 0.00 H new ATOM 0 HH22 ARG A 89 0.893 -35.111 -1.707 1.00 0.00 H new ATOM 1392 N ARG A 90 2.958 -27.875 -1.762 1.00 0.00 N ATOM 1393 CA ARG A 90 4.139 -28.229 -2.517 1.00 0.00 C ATOM 1394 C ARG A 90 4.911 -29.313 -1.780 1.00 0.00 C ATOM 1395 O ARG A 90 5.085 -29.240 -0.562 1.00 0.00 O ATOM 1396 CB ARG A 90 5.008 -26.992 -2.747 1.00 0.00 C ATOM 1397 CG ARG A 90 6.155 -27.221 -3.710 1.00 0.00 C ATOM 1398 CD ARG A 90 6.588 -25.920 -4.361 1.00 0.00 C ATOM 1399 NE ARG A 90 5.464 -25.256 -5.023 1.00 0.00 N ATOM 1400 CZ ARG A 90 5.077 -25.505 -6.275 1.00 0.00 C ATOM 1401 NH1 ARG A 90 5.742 -26.375 -7.028 1.00 0.00 N ATOM 1402 NH2 ARG A 90 4.026 -24.878 -6.778 1.00 0.00 N ATOM 0 H ARG A 90 3.071 -27.065 -1.152 1.00 0.00 H new ATOM 0 HA ARG A 90 3.844 -28.617 -3.492 1.00 0.00 H new ATOM 0 HB2 ARG A 90 4.382 -26.185 -3.128 1.00 0.00 H new ATOM 0 HB3 ARG A 90 5.410 -26.659 -1.790 1.00 0.00 H new ATOM 0 HG2 ARG A 90 6.997 -27.664 -3.179 1.00 0.00 H new ATOM 0 HG3 ARG A 90 5.853 -27.933 -4.478 1.00 0.00 H new ATOM 0 HD2 ARG A 90 7.012 -25.257 -3.607 1.00 0.00 H new ATOM 0 HD3 ARG A 90 7.375 -26.119 -5.088 1.00 0.00 H new ATOM 0 HE ARG A 90 4.943 -24.558 -4.493 1.00 0.00 H new ATOM 0 HH11 ARG A 90 6.556 -26.859 -6.650 1.00 0.00 H new ATOM 0 HH12 ARG A 90 5.438 -26.559 -7.984 1.00 0.00 H new ATOM 0 HH21 ARG A 90 3.513 -24.205 -6.209 1.00 0.00 H new ATOM 0 HH22 ARG A 90 3.729 -25.067 -7.735 1.00 0.00 H new ATOM 1416 N HIS A 91 5.351 -30.322 -2.518 1.00 0.00 N ATOM 1417 CA HIS A 91 6.031 -31.463 -1.922 1.00 0.00 C ATOM 1418 C HIS A 91 7.322 -31.037 -1.239 1.00 0.00 C ATOM 1419 O HIS A 91 7.964 -30.064 -1.641 1.00 0.00 O ATOM 1420 CB HIS A 91 6.313 -32.537 -2.974 1.00 0.00 C ATOM 1421 CG HIS A 91 5.081 -33.233 -3.470 1.00 0.00 C ATOM 1422 ND1 HIS A 91 4.603 -34.365 -2.854 1.00 0.00 N ATOM 1423 CD2 HIS A 91 4.273 -32.922 -4.512 1.00 0.00 C ATOM 1424 CE1 HIS A 91 3.522 -34.715 -3.528 1.00 0.00 C ATOM 1425 NE2 HIS A 91 3.283 -33.872 -4.541 1.00 0.00 N ATOM 0 H HIS A 91 5.249 -30.374 -3.532 1.00 0.00 H new ATOM 0 HA HIS A 91 5.370 -31.885 -1.165 1.00 0.00 H new ATOM 0 HB2 HIS A 91 6.826 -32.079 -3.820 1.00 0.00 H new ATOM 0 HB3 HIS A 91 6.993 -33.277 -2.552 1.00 0.00 H new ATOM 0 HD2 HIS A 91 4.386 -32.088 -5.189 1.00 0.00 H new ATOM 0 HE1 HIS A 91 2.909 -35.572 -3.292 1.00 0.00 H new ATOM 0 HE2 HIS A 91 2.512 -33.926 -5.207 1.00 0.00 H new ATOM 1433 N ARG A 92 7.695 -31.772 -0.209 1.00 0.00 N ATOM 1434 CA ARG A 92 8.851 -31.425 0.598 1.00 0.00 C ATOM 1435 C ARG A 92 9.921 -32.511 0.506 1.00 0.00 C ATOM 1436 O ARG A 92 9.865 -33.363 -0.382 1.00 0.00 O ATOM 1437 CB ARG A 92 8.424 -31.162 2.055 1.00 0.00 C ATOM 1438 CG ARG A 92 7.455 -32.188 2.649 1.00 0.00 C ATOM 1439 CD ARG A 92 8.107 -33.549 2.831 1.00 0.00 C ATOM 1440 NE ARG A 92 7.243 -34.494 3.533 1.00 0.00 N ATOM 1441 CZ ARG A 92 7.370 -35.816 3.434 1.00 0.00 C ATOM 1442 NH1 ARG A 92 8.261 -36.339 2.602 1.00 0.00 N ATOM 1443 NH2 ARG A 92 6.601 -36.611 4.163 1.00 0.00 N ATOM 0 H ARG A 92 7.211 -32.619 0.091 1.00 0.00 H new ATOM 0 HA ARG A 92 9.290 -30.506 0.210 1.00 0.00 H new ATOM 0 HB2 ARG A 92 9.318 -31.128 2.678 1.00 0.00 H new ATOM 0 HB3 ARG A 92 7.961 -30.177 2.108 1.00 0.00 H new ATOM 0 HG2 ARG A 92 7.092 -31.828 3.612 1.00 0.00 H new ATOM 0 HG3 ARG A 92 6.587 -32.286 1.997 1.00 0.00 H new ATOM 0 HD2 ARG A 92 8.368 -33.957 1.854 1.00 0.00 H new ATOM 0 HD3 ARG A 92 9.038 -33.431 3.386 1.00 0.00 H new ATOM 0 HE ARG A 92 6.504 -34.122 4.130 1.00 0.00 H new ATOM 0 HH11 ARG A 92 8.851 -35.728 2.036 1.00 0.00 H new ATOM 0 HH12 ARG A 92 8.357 -37.352 2.528 1.00 0.00 H new ATOM 0 HH21 ARG A 92 5.912 -36.211 4.800 1.00 0.00 H new ATOM 0 HH22 ARG A 92 6.698 -37.624 4.088 1.00 0.00 H new ATOM 1457 N PHE A 93 10.876 -32.472 1.436 1.00 0.00 N ATOM 1458 CA PHE A 93 12.012 -33.391 1.445 1.00 0.00 C ATOM 1459 C PHE A 93 12.899 -33.140 0.228 1.00 0.00 C ATOM 1460 O PHE A 93 12.727 -33.751 -0.831 1.00 0.00 O ATOM 1461 CB PHE A 93 11.543 -34.852 1.500 1.00 0.00 C ATOM 1462 CG PHE A 93 12.648 -35.840 1.755 1.00 0.00 C ATOM 1463 CD1 PHE A 93 13.214 -35.954 3.015 1.00 0.00 C ATOM 1464 CD2 PHE A 93 13.112 -36.660 0.739 1.00 0.00 C ATOM 1465 CE1 PHE A 93 14.228 -36.861 3.255 1.00 0.00 C ATOM 1466 CE2 PHE A 93 14.125 -37.570 0.974 1.00 0.00 C ATOM 1467 CZ PHE A 93 14.683 -37.671 2.234 1.00 0.00 C ATOM 0 H PHE A 93 10.883 -31.801 2.204 1.00 0.00 H new ATOM 0 HA PHE A 93 12.600 -33.206 2.344 1.00 0.00 H new ATOM 0 HB2 PHE A 93 10.792 -34.952 2.283 1.00 0.00 H new ATOM 0 HB3 PHE A 93 11.056 -35.102 0.557 1.00 0.00 H new ATOM 0 HD1 PHE A 93 12.858 -35.326 3.819 1.00 0.00 H new ATOM 0 HD2 PHE A 93 12.677 -36.587 -0.247 1.00 0.00 H new ATOM 0 HE1 PHE A 93 14.664 -36.936 4.240 1.00 0.00 H new ATOM 0 HE2 PHE A 93 14.480 -38.202 0.173 1.00 0.00 H new ATOM 0 HZ PHE A 93 15.474 -38.383 2.420 1.00 0.00 H new ATOM 1477 N GLY A 94 13.824 -32.208 0.381 1.00 0.00 N ATOM 1478 CA GLY A 94 14.708 -31.844 -0.703 1.00 0.00 C ATOM 1479 C GLY A 94 16.144 -31.763 -0.248 1.00 0.00 C ATOM 1480 O GLY A 94 16.413 -31.588 0.942 1.00 0.00 O ATOM 0 H GLY A 94 13.979 -31.692 1.247 1.00 0.00 H new ATOM 0 HA2 GLY A 94 14.621 -32.577 -1.505 1.00 0.00 H new ATOM 0 HA3 GLY A 94 14.402 -30.882 -1.115 1.00 0.00 H new ATOM 1484 N LYS A 95 17.063 -31.868 -1.192 1.00 0.00 N ATOM 1485 CA LYS A 95 18.482 -31.913 -0.879 1.00 0.00 C ATOM 1486 C LYS A 95 19.011 -30.532 -0.521 1.00 0.00 C ATOM 1487 O LYS A 95 18.735 -29.545 -1.210 1.00 0.00 O ATOM 1488 CB LYS A 95 19.283 -32.465 -2.060 1.00 0.00 C ATOM 1489 CG LYS A 95 18.942 -33.896 -2.440 1.00 0.00 C ATOM 1490 CD LYS A 95 19.833 -34.384 -3.571 1.00 0.00 C ATOM 1491 CE LYS A 95 19.516 -35.818 -3.966 1.00 0.00 C ATOM 1492 NZ LYS A 95 18.121 -35.970 -4.450 1.00 0.00 N ATOM 0 H LYS A 95 16.851 -31.924 -2.188 1.00 0.00 H new ATOM 0 HA LYS A 95 18.602 -32.573 -0.020 1.00 0.00 H new ATOM 0 HB2 LYS A 95 19.118 -31.824 -2.926 1.00 0.00 H new ATOM 0 HB3 LYS A 95 20.345 -32.410 -1.820 1.00 0.00 H new ATOM 0 HG2 LYS A 95 19.061 -34.545 -1.572 1.00 0.00 H new ATOM 0 HG3 LYS A 95 17.897 -33.957 -2.743 1.00 0.00 H new ATOM 0 HD2 LYS A 95 19.709 -33.733 -4.437 1.00 0.00 H new ATOM 0 HD3 LYS A 95 20.877 -34.314 -3.266 1.00 0.00 H new ATOM 0 HE2 LYS A 95 20.207 -36.140 -4.746 1.00 0.00 H new ATOM 0 HE3 LYS A 95 19.675 -36.473 -3.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 18.003 -36.910 -4.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 17.463 -35.870 -3.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 17.918 -35.237 -5.159 1.00 0.00 H new ATOM 1506 N ARG A 96 19.756 -30.473 0.569 1.00 0.00 N ATOM 1507 CA ARG A 96 20.461 -29.264 0.966 1.00 0.00 C ATOM 1508 C ARG A 96 21.926 -29.593 1.198 1.00 0.00 C ATOM 1509 O ARG A 96 22.253 -30.404 2.060 1.00 0.00 O ATOM 1510 CB ARG A 96 19.854 -28.649 2.235 1.00 0.00 C ATOM 1511 CG ARG A 96 18.909 -27.487 1.971 1.00 0.00 C ATOM 1512 CD ARG A 96 17.663 -27.930 1.227 1.00 0.00 C ATOM 1513 NE ARG A 96 16.852 -26.797 0.793 1.00 0.00 N ATOM 1514 CZ ARG A 96 16.280 -26.712 -0.408 1.00 0.00 C ATOM 1515 NH1 ARG A 96 16.447 -27.685 -1.296 1.00 0.00 N ATOM 1516 NH2 ARG A 96 15.558 -25.645 -0.728 1.00 0.00 N ATOM 0 H ARG A 96 19.890 -31.260 1.204 1.00 0.00 H new ATOM 0 HA ARG A 96 20.365 -28.531 0.165 1.00 0.00 H new ATOM 0 HB2 ARG A 96 19.316 -29.424 2.780 1.00 0.00 H new ATOM 0 HB3 ARG A 96 20.662 -28.307 2.882 1.00 0.00 H new ATOM 0 HG2 ARG A 96 18.623 -27.029 2.918 1.00 0.00 H new ATOM 0 HG3 ARG A 96 19.426 -26.723 1.391 1.00 0.00 H new ATOM 0 HD2 ARG A 96 17.951 -28.523 0.359 1.00 0.00 H new ATOM 0 HD3 ARG A 96 17.067 -28.577 1.871 1.00 0.00 H new ATOM 0 HE ARG A 96 16.715 -26.026 1.446 1.00 0.00 H new ATOM 0 HH11 ARG A 96 17.014 -28.499 -1.060 1.00 0.00 H new ATOM 0 HH12 ARG A 96 16.008 -27.618 -2.214 1.00 0.00 H new ATOM 0 HH21 ARG A 96 15.440 -24.888 -0.054 1.00 0.00 H new ATOM 0 HH22 ARG A 96 15.121 -25.582 -1.648 1.00 0.00 H new ATOM 1530 N ALA A 97 22.803 -28.975 0.421 1.00 0.00 N ATOM 1531 CA ALA A 97 24.236 -29.202 0.552 1.00 0.00 C ATOM 1532 C ALA A 97 24.840 -28.235 1.562 1.00 0.00 C ATOM 1533 O ALA A 97 26.050 -27.996 1.568 1.00 0.00 O ATOM 1534 CB ALA A 97 24.918 -29.056 -0.800 1.00 0.00 C ATOM 0 H ALA A 97 22.547 -28.310 -0.309 1.00 0.00 H new ATOM 0 HA ALA A 97 24.395 -30.218 0.914 1.00 0.00 H new ATOM 0 HB1 ALA A 97 25.988 -29.228 -0.688 1.00 0.00 H new ATOM 0 HB2 ALA A 97 24.504 -29.785 -1.497 1.00 0.00 H new ATOM 0 HB3 ALA A 97 24.751 -28.050 -1.185 1.00 0.00 H new ATOM 1540 N LEU A 98 23.979 -27.689 2.414 1.00 0.00 N ATOM 1541 CA LEU A 98 24.391 -26.742 3.437 1.00 0.00 C ATOM 1542 C LEU A 98 25.316 -27.437 4.433 1.00 0.00 C ATOM 1543 O LEU A 98 24.871 -28.236 5.262 1.00 0.00 O ATOM 1544 CB LEU A 98 23.144 -26.174 4.138 1.00 0.00 C ATOM 1545 CG LEU A 98 23.345 -24.915 4.997 1.00 0.00 C ATOM 1546 CD1 LEU A 98 24.043 -25.242 6.307 1.00 0.00 C ATOM 1547 CD2 LEU A 98 24.129 -23.861 4.224 1.00 0.00 C ATOM 0 H LEU A 98 22.979 -27.891 2.413 1.00 0.00 H new ATOM 0 HA LEU A 98 24.938 -25.915 2.984 1.00 0.00 H new ATOM 0 HB2 LEU A 98 22.398 -25.949 3.375 1.00 0.00 H new ATOM 0 HB3 LEU A 98 22.726 -26.955 4.773 1.00 0.00 H new ATOM 0 HG LEU A 98 22.360 -24.515 5.236 1.00 0.00 H new ATOM 0 HD11 LEU A 98 24.169 -24.330 6.890 1.00 0.00 H new ATOM 0 HD12 LEU A 98 23.441 -25.953 6.872 1.00 0.00 H new ATOM 0 HD13 LEU A 98 25.020 -25.678 6.100 1.00 0.00 H new ATOM 0 HD21 LEU A 98 24.262 -22.977 4.847 1.00 0.00 H new ATOM 0 HD22 LEU A 98 25.105 -24.262 3.950 1.00 0.00 H new ATOM 0 HD23 LEU A 98 23.582 -23.590 3.321 1.00 0.00 H new ATOM 1559 N GLU A 99 26.601 -27.141 4.340 1.00 0.00 N ATOM 1560 CA GLU A 99 27.592 -27.791 5.174 1.00 0.00 C ATOM 1561 C GLU A 99 28.182 -26.806 6.175 1.00 0.00 C ATOM 1562 O GLU A 99 29.173 -26.133 5.896 1.00 0.00 O ATOM 1563 CB GLU A 99 28.690 -28.406 4.304 1.00 0.00 C ATOM 1564 CG GLU A 99 29.728 -29.186 5.086 1.00 0.00 C ATOM 1565 CD GLU A 99 30.768 -29.820 4.189 1.00 0.00 C ATOM 1566 OE1 GLU A 99 31.670 -29.101 3.710 1.00 0.00 O ATOM 1567 OE2 GLU A 99 30.694 -31.047 3.961 1.00 0.00 O ATOM 0 H GLU A 99 26.982 -26.452 3.692 1.00 0.00 H new ATOM 0 HA GLU A 99 27.107 -28.590 5.735 1.00 0.00 H new ATOM 0 HB2 GLU A 99 28.230 -29.067 3.569 1.00 0.00 H new ATOM 0 HB3 GLU A 99 29.189 -27.611 3.750 1.00 0.00 H new ATOM 0 HG2 GLU A 99 30.220 -28.521 5.795 1.00 0.00 H new ATOM 0 HG3 GLU A 99 29.232 -29.963 5.669 1.00 0.00 H new ATOM 1574 N HIS A 100 27.540 -26.701 7.327 1.00 0.00 N ATOM 1575 CA HIS A 100 28.048 -25.878 8.413 1.00 0.00 C ATOM 1576 C HIS A 100 28.307 -26.747 9.630 1.00 0.00 C ATOM 1577 O HIS A 100 27.844 -27.888 9.685 1.00 0.00 O ATOM 1578 CB HIS A 100 27.079 -24.748 8.772 1.00 0.00 C ATOM 1579 CG HIS A 100 27.017 -23.653 7.748 1.00 0.00 C ATOM 1580 ND1 HIS A 100 25.922 -22.832 7.642 1.00 0.00 N ATOM 1581 CD2 HIS A 100 27.938 -23.280 6.824 1.00 0.00 C ATOM 1582 CE1 HIS A 100 26.195 -21.987 6.664 1.00 0.00 C ATOM 1583 NE2 HIS A 100 27.406 -22.219 6.135 1.00 0.00 N ATOM 0 H HIS A 100 26.662 -27.177 7.535 1.00 0.00 H new ATOM 0 HA HIS A 100 28.979 -25.418 8.081 1.00 0.00 H new ATOM 0 HB2 HIS A 100 26.081 -25.166 8.903 1.00 0.00 H new ATOM 0 HB3 HIS A 100 27.374 -24.320 9.730 1.00 0.00 H new ATOM 0 HD2 HIS A 100 28.905 -23.732 6.662 1.00 0.00 H new ATOM 0 HE1 HIS A 100 25.527 -21.207 6.332 1.00 0.00 H new ATOM 0 HE2 HIS A 100 27.845 -21.707 5.370 1.00 0.00 H new ATOM 1591 N HIS A 101 29.034 -26.196 10.597 1.00 0.00 N ATOM 1592 CA HIS A 101 29.443 -26.933 11.788 1.00 0.00 C ATOM 1593 C HIS A 101 30.408 -28.049 11.431 1.00 0.00 C ATOM 1594 O HIS A 101 30.061 -29.229 11.457 1.00 0.00 O ATOM 1595 CB HIS A 101 28.248 -27.499 12.557 1.00 0.00 C ATOM 1596 CG HIS A 101 27.630 -26.523 13.503 1.00 0.00 C ATOM 1597 ND1 HIS A 101 27.406 -26.853 14.816 1.00 0.00 N ATOM 1598 CD2 HIS A 101 27.211 -25.254 13.286 1.00 0.00 C ATOM 1599 CE1 HIS A 101 26.861 -25.784 15.366 1.00 0.00 C ATOM 1600 NE2 HIS A 101 26.721 -24.791 14.478 1.00 0.00 N ATOM 0 H HIS A 101 29.356 -25.228 10.577 1.00 0.00 H new ATOM 0 HA HIS A 101 29.949 -26.220 12.440 1.00 0.00 H new ATOM 0 HB2 HIS A 101 27.492 -27.831 11.845 1.00 0.00 H new ATOM 0 HB3 HIS A 101 28.569 -28.379 13.114 1.00 0.00 H new ATOM 0 HD2 HIS A 101 27.255 -24.712 12.353 1.00 0.00 H new ATOM 0 HE1 HIS A 101 26.565 -25.718 16.403 1.00 0.00 H new ATOM 0 HE2 HIS A 101 26.326 -23.868 14.655 1.00 0.00 H new ATOM 1608 N HIS A 102 31.617 -27.656 11.069 1.00 0.00 N ATOM 1609 CA HIS A 102 32.697 -28.601 10.827 1.00 0.00 C ATOM 1610 C HIS A 102 33.456 -28.841 12.124 1.00 0.00 C ATOM 1611 O HIS A 102 34.502 -29.497 12.142 1.00 0.00 O ATOM 1612 CB HIS A 102 33.636 -28.078 9.733 1.00 0.00 C ATOM 1613 CG HIS A 102 34.091 -26.666 9.944 1.00 0.00 C ATOM 1614 ND1 HIS A 102 33.339 -25.601 9.503 1.00 0.00 N ATOM 1615 CD2 HIS A 102 35.210 -26.200 10.548 1.00 0.00 C ATOM 1616 CE1 HIS A 102 34.013 -24.519 9.848 1.00 0.00 C ATOM 1617 NE2 HIS A 102 35.150 -24.832 10.481 1.00 0.00 N ATOM 0 H HIS A 102 31.878 -26.679 10.935 1.00 0.00 H new ATOM 0 HA HIS A 102 32.278 -29.546 10.481 1.00 0.00 H new ATOM 0 HB2 HIS A 102 34.511 -28.726 9.679 1.00 0.00 H new ATOM 0 HB3 HIS A 102 33.129 -28.145 8.771 1.00 0.00 H new ATOM 0 HD2 HIS A 102 35.996 -26.791 10.995 1.00 0.00 H new ATOM 0 HE1 HIS A 102 33.688 -23.509 9.645 1.00 0.00 H new ATOM 0 HE2 HIS A 102 35.841 -24.176 10.845 1.00 0.00 H new ATOM 1625 N HIS A 103 32.900 -28.284 13.202 1.00 0.00 N ATOM 1626 CA HIS A 103 33.433 -28.428 14.551 1.00 0.00 C ATOM 1627 C HIS A 103 34.735 -27.655 14.698 1.00 0.00 C ATOM 1628 O HIS A 103 35.115 -26.901 13.799 1.00 0.00 O ATOM 1629 CB HIS A 103 33.604 -29.909 14.924 1.00 0.00 C ATOM 1630 CG HIS A 103 32.311 -30.670 14.895 1.00 0.00 C ATOM 1631 ND1 HIS A 103 32.115 -31.726 14.040 1.00 0.00 N ATOM 1632 CD2 HIS A 103 31.183 -30.472 15.617 1.00 0.00 C ATOM 1633 CE1 HIS A 103 30.879 -32.144 14.258 1.00 0.00 C ATOM 1634 NE2 HIS A 103 30.271 -31.411 15.205 1.00 0.00 N ATOM 0 H HIS A 103 32.056 -27.713 13.158 1.00 0.00 H new ATOM 0 HA HIS A 103 32.715 -28.002 15.251 1.00 0.00 H new ATOM 0 HB2 HIS A 103 34.309 -30.373 14.234 1.00 0.00 H new ATOM 0 HB3 HIS A 103 34.039 -29.980 15.921 1.00 0.00 H new ATOM 0 HD2 HIS A 103 31.030 -29.717 16.374 1.00 0.00 H new ATOM 0 HE1 HIS A 103 30.417 -32.971 13.739 1.00 0.00 H new ATOM 0 HE2 HIS A 103 29.318 -31.529 15.550 1.00 0.00 H new ATOM 1642 N HIS A 104 35.392 -27.815 15.845 1.00 0.00 N ATOM 1643 CA HIS A 104 36.628 -27.090 16.143 1.00 0.00 C ATOM 1644 C HIS A 104 36.335 -25.598 16.260 1.00 0.00 C ATOM 1645 O HIS A 104 37.158 -24.761 15.877 1.00 0.00 O ATOM 1646 CB HIS A 104 37.693 -27.339 15.062 1.00 0.00 C ATOM 1647 CG HIS A 104 38.041 -28.784 14.868 1.00 0.00 C ATOM 1648 ND1 HIS A 104 39.115 -29.353 15.501 1.00 0.00 N ATOM 1649 CD2 HIS A 104 37.428 -29.723 14.109 1.00 0.00 C ATOM 1650 CE1 HIS A 104 39.131 -30.619 15.120 1.00 0.00 C ATOM 1651 NE2 HIS A 104 38.128 -30.890 14.275 1.00 0.00 N ATOM 0 H HIS A 104 35.088 -28.444 16.588 1.00 0.00 H new ATOM 0 HA HIS A 104 37.021 -27.457 17.091 1.00 0.00 H new ATOM 0 HB2 HIS A 104 37.337 -26.932 14.116 1.00 0.00 H new ATOM 0 HB3 HIS A 104 38.598 -26.791 15.325 1.00 0.00 H new ATOM 0 HD2 HIS A 104 36.554 -29.580 13.491 1.00 0.00 H new ATOM 0 HE1 HIS A 104 39.861 -31.344 15.449 1.00 0.00 H new ATOM 0 HE2 HIS A 104 37.924 -31.790 13.840 1.00 0.00 H new ATOM 1659 N HIS A 105 35.160 -25.291 16.818 1.00 0.00 N ATOM 1660 CA HIS A 105 34.665 -23.918 16.951 1.00 0.00 C ATOM 1661 C HIS A 105 34.349 -23.325 15.584 1.00 0.00 C ATOM 1662 O HIS A 105 33.331 -23.732 14.988 1.00 0.00 O ATOM 1663 CB HIS A 105 35.661 -23.023 17.701 1.00 0.00 C ATOM 1664 CG HIS A 105 35.799 -23.349 19.158 1.00 0.00 C ATOM 1665 ND1 HIS A 105 36.861 -24.081 19.635 1.00 0.00 N ATOM 1666 CD2 HIS A 105 34.999 -23.007 20.196 1.00 0.00 C ATOM 1667 CE1 HIS A 105 36.681 -24.168 20.943 1.00 0.00 C ATOM 1668 NE2 HIS A 105 35.568 -23.532 21.328 1.00 0.00 N ATOM 1669 OXT HIS A 105 35.106 -22.452 15.113 1.00 0.00 O ATOM 0 H HIS A 105 34.522 -25.993 17.192 1.00 0.00 H new ATOM 0 HA HIS A 105 33.748 -23.960 17.539 1.00 0.00 H new ATOM 0 HB2 HIS A 105 36.639 -23.108 17.226 1.00 0.00 H new ATOM 0 HB3 HIS A 105 35.347 -21.984 17.600 1.00 0.00 H new ATOM 0 HD2 HIS A 105 34.087 -22.431 20.142 1.00 0.00 H new ATOM 0 HE1 HIS A 105 37.348 -24.687 21.615 1.00 0.00 H new ATOM 0 HE2 HIS A 105 35.211 -23.453 22.280 1.00 0.00 H new TER 1677 HIS A 105