USER MOD reduce.3.24.130724 H: found=0, std=0, add=699, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 695 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 NoAdj-H: A 39 HIS HD1 : A 39 HIS ND1 : A 99 CUCU :(H bumps) USER MOD Set 1.1: A 86 HIS : no HE2:sc= -3! K(o=-12!,f=-12) USER MOD Set 1.2: A 91 MET CE :methyl 168:sc= -9.45! (180deg=-7.32!) USER MOD Set 2.1: A 7 MET CE :methyl 179:sc= -1.88! (180deg=-1.91!) USER MOD Set 2.2: A 33 ASN : amide:sc= -0.877 K(o=-2.8,f=-8.5!) USER MOD Single : A 1 ALA N :NH3+ 131:sc= 0.0621 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -1.64! C(o=-1.6!,f=-4.3!) USER MOD Single : A 4 THR OG1 : rot 41:sc= 1.05 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot -24:sc= 1.31 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.139 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -2.61! C(o=-2.6!,f=-4.5!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 143:sc= 0.471 USER MOD Single : A 40 ASN : amide:sc= -7.61! C(o=-7.6!,f=-15!) USER MOD Single : A 52 THR OG1 : rot 147:sc= 0.266 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= -0.945 USER MOD Single : A 58 HIS : no HD1:sc= -7.3! C(o=-7.3!,f=-6.8!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.661 USER MOD Single : A 71 SER OG : rot -90:sc= -0.158! USER MOD Single : A 72 THR OG1 : rot -94:sc= 0.0617 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 19:sc= -0.678 USER MOD Single : A 79 TYR OH : rot 120:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.0108 USER MOD Single : A 81 TYR OH : rot -119:sc= 0.312 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 4.858 -7.399 15.450 1.00 10.00 N ATOM 2 CA ALA A 1 3.970 -6.377 14.927 1.00 10.00 C ATOM 3 C ALA A 1 3.922 -6.479 13.401 1.00 10.00 C ATOM 4 O ALA A 1 4.915 -6.836 12.768 1.00 10.00 O ATOM 5 CB ALA A 1 4.438 -5.000 15.403 1.00 10.00 C ATOM 0 H1 ALA A 1 5.523 -6.969 16.124 1.00 10.00 H new ATOM 0 H2 ALA A 1 4.299 -8.130 15.934 1.00 10.00 H new ATOM 0 H3 ALA A 1 5.389 -7.831 14.667 1.00 10.00 H new ATOM 0 HA ALA A 1 2.956 -6.525 15.300 1.00 10.00 H new ATOM 0 HB1 ALA A 1 3.771 -4.233 15.010 1.00 10.00 H new ATOM 0 HB2 ALA A 1 4.426 -4.968 16.492 1.00 10.00 H new ATOM 0 HB3 ALA A 1 5.452 -4.817 15.046 1.00 10.00 H new ATOM 11 N ASN A 2 2.758 -6.160 12.854 1.00 10.00 N ATOM 12 CA ASN A 2 2.568 -6.213 11.415 1.00 10.00 C ATOM 13 C ASN A 2 3.259 -5.011 10.768 1.00 10.00 C ATOM 14 O ASN A 2 3.491 -3.997 11.425 1.00 10.00 O ATOM 15 CB ASN A 2 1.083 -6.154 11.052 1.00 10.00 C ATOM 16 CG ASN A 2 0.454 -4.842 11.525 1.00 10.00 C ATOM 17 OD1 ASN A 2 0.937 -3.757 11.245 1.00 10.00 O ATOM 18 ND2 ASN A 2 -0.646 -5.002 12.254 1.00 10.00 N ATOM 0 H ASN A 2 1.937 -5.864 13.382 1.00 10.00 H new ATOM 0 HA ASN A 2 2.991 -7.151 11.055 1.00 10.00 H new ATOM 0 HB2 ASN A 2 0.965 -6.250 9.973 1.00 10.00 H new ATOM 0 HB3 ASN A 2 0.560 -6.996 11.506 1.00 10.00 H new ATOM 0 HD21 ASN A 2 -1.140 -4.187 12.617 1.00 10.00 H new ATOM 0 HD22 ASN A 2 -0.996 -5.940 12.451 1.00 10.00 H new ATOM 25 N ALA A 3 3.571 -5.165 9.490 1.00 10.00 N ATOM 26 CA ALA A 3 4.233 -4.105 8.749 1.00 10.00 C ATOM 27 C ALA A 3 3.177 -3.173 8.149 1.00 10.00 C ATOM 28 O ALA A 3 2.053 -3.595 7.878 1.00 10.00 O ATOM 29 CB ALA A 3 5.141 -4.719 7.681 1.00 10.00 C ATOM 0 H ALA A 3 3.378 -6.008 8.949 1.00 10.00 H new ATOM 0 HA ALA A 3 4.863 -3.510 9.410 1.00 10.00 H new ATOM 0 HB1 ALA A 3 5.638 -3.924 7.125 1.00 10.00 H new ATOM 0 HB2 ALA A 3 5.890 -5.350 8.159 1.00 10.00 H new ATOM 0 HB3 ALA A 3 4.543 -5.321 6.997 1.00 10.00 H new ATOM 35 N THR A 4 3.575 -1.924 7.958 1.00 10.00 N ATOM 36 CA THR A 4 2.678 -0.929 7.397 1.00 10.00 C ATOM 37 C THR A 4 3.456 0.059 6.526 1.00 10.00 C ATOM 38 O THR A 4 4.664 0.222 6.692 1.00 10.00 O ATOM 39 CB THR A 4 1.928 -0.263 8.551 1.00 10.00 C ATOM 40 OG1 THR A 4 0.907 0.498 7.910 1.00 10.00 O ATOM 41 CG2 THR A 4 2.776 0.786 9.273 1.00 10.00 C ATOM 0 H THR A 4 4.508 -1.578 8.182 1.00 10.00 H new ATOM 0 HA THR A 4 1.943 -1.387 6.736 1.00 10.00 H new ATOM 0 HB THR A 4 1.609 -1.024 9.263 1.00 10.00 H new ATOM 0 HG1 THR A 4 0.528 -0.021 7.170 1.00 10.00 H new ATOM 0 HG21 THR A 4 2.196 1.228 10.083 1.00 10.00 H new ATOM 0 HG22 THR A 4 3.669 0.313 9.682 1.00 10.00 H new ATOM 0 HG23 THR A 4 3.068 1.565 8.569 1.00 10.00 H new ATOM 49 N VAL A 5 2.731 0.696 5.616 1.00 10.00 N ATOM 50 CA VAL A 5 3.339 1.664 4.719 1.00 10.00 C ATOM 51 C VAL A 5 2.338 2.787 4.436 1.00 10.00 C ATOM 52 O VAL A 5 1.135 2.544 4.350 1.00 10.00 O ATOM 53 CB VAL A 5 3.829 0.966 3.449 1.00 10.00 C ATOM 54 CG1 VAL A 5 4.136 1.983 2.348 1.00 10.00 C ATOM 55 CG2 VAL A 5 5.049 0.090 3.742 1.00 10.00 C ATOM 0 H VAL A 5 1.729 0.560 5.481 1.00 10.00 H new ATOM 0 HA VAL A 5 4.215 2.117 5.182 1.00 10.00 H new ATOM 0 HB VAL A 5 3.028 0.318 3.092 1.00 10.00 H new ATOM 0 HG11 VAL A 5 4.482 1.460 1.456 1.00 10.00 H new ATOM 0 HG12 VAL A 5 3.233 2.546 2.111 1.00 10.00 H new ATOM 0 HG13 VAL A 5 4.911 2.668 2.691 1.00 10.00 H new ATOM 0 HG21 VAL A 5 5.378 -0.395 2.823 1.00 10.00 H new ATOM 0 HG22 VAL A 5 5.856 0.709 4.134 1.00 10.00 H new ATOM 0 HG23 VAL A 5 4.784 -0.669 4.478 1.00 10.00 H new ATOM 65 N LYS A 6 2.874 3.991 4.298 1.00 10.00 N ATOM 66 CA LYS A 6 2.043 5.152 4.025 1.00 10.00 C ATOM 67 C LYS A 6 2.029 5.420 2.519 1.00 10.00 C ATOM 68 O LYS A 6 3.082 5.531 1.895 1.00 10.00 O ATOM 69 CB LYS A 6 2.503 6.347 4.859 1.00 10.00 C ATOM 70 CG LYS A 6 3.952 6.717 4.534 1.00 10.00 C ATOM 71 CD LYS A 6 4.361 8.011 5.243 1.00 10.00 C ATOM 72 CE LYS A 6 5.628 8.601 4.621 1.00 10.00 C ATOM 73 NZ LYS A 6 6.728 8.621 5.610 1.00 10.00 N ATOM 0 H LYS A 6 3.872 4.188 4.370 1.00 10.00 H new ATOM 0 HA LYS A 6 1.012 4.963 4.325 1.00 10.00 H new ATOM 0 HB2 LYS A 6 1.854 7.201 4.666 1.00 10.00 H new ATOM 0 HB3 LYS A 6 2.413 6.111 5.919 1.00 10.00 H new ATOM 0 HG2 LYS A 6 4.615 5.907 4.838 1.00 10.00 H new ATOM 0 HG3 LYS A 6 4.068 6.836 3.457 1.00 10.00 H new ATOM 0 HD2 LYS A 6 3.550 8.736 5.181 1.00 10.00 H new ATOM 0 HD3 LYS A 6 4.530 7.812 6.301 1.00 10.00 H new ATOM 0 HE2 LYS A 6 5.922 8.012 3.752 1.00 10.00 H new ATOM 0 HE3 LYS A 6 5.430 9.613 4.268 1.00 10.00 H new ATOM 0 HZ1 LYS A 6 7.581 9.024 5.172 1.00 10.00 H new ATOM 0 HZ2 LYS A 6 6.450 9.202 6.427 1.00 10.00 H new ATOM 0 HZ3 LYS A 6 6.927 7.651 5.927 1.00 10.00 H new ATOM 87 N MET A 7 0.823 5.519 1.979 1.00 10.00 N ATOM 88 CA MET A 7 0.657 5.774 0.558 1.00 10.00 C ATOM 89 C MET A 7 1.204 7.152 0.181 1.00 10.00 C ATOM 90 O MET A 7 0.482 8.145 0.226 1.00 10.00 O ATOM 91 CB MET A 7 -0.827 5.697 0.196 1.00 10.00 C ATOM 92 CG MET A 7 -1.298 4.244 0.118 1.00 10.00 C ATOM 93 SD MET A 7 -2.951 4.173 -0.553 1.00 10.00 S ATOM 94 CE MET A 7 -3.843 3.586 0.879 1.00 10.00 C ATOM 0 H MET A 7 -0.049 5.427 2.500 1.00 10.00 H new ATOM 0 HA MET A 7 1.215 5.019 0.004 1.00 10.00 H new ATOM 0 HB2 MET A 7 -1.415 6.234 0.940 1.00 10.00 H new ATOM 0 HB3 MET A 7 -0.998 6.190 -0.761 1.00 10.00 H new ATOM 0 HG2 MET A 7 -0.618 3.666 -0.507 1.00 10.00 H new ATOM 0 HG3 MET A 7 -1.280 3.793 1.110 1.00 10.00 H new ATOM 0 HE1 MET A 7 -4.903 3.502 0.638 1.00 10.00 H new ATOM 0 HE2 MET A 7 -3.458 2.609 1.172 1.00 10.00 H new ATOM 0 HE3 MET A 7 -3.713 4.289 1.702 1.00 10.00 H new ATOM 104 N GLY A 8 2.478 7.167 -0.184 1.00 10.00 N ATOM 105 CA GLY A 8 3.131 8.407 -0.569 1.00 10.00 C ATOM 106 C GLY A 8 4.149 8.842 0.486 1.00 10.00 C ATOM 107 O GLY A 8 4.834 8.007 1.075 1.00 10.00 O ATOM 0 H GLY A 8 3.075 6.341 -0.221 1.00 10.00 H new ATOM 0 HA2 GLY A 8 3.630 8.276 -1.529 1.00 10.00 H new ATOM 0 HA3 GLY A 8 2.384 9.189 -0.703 1.00 10.00 H new ATOM 111 N SER A 9 4.214 10.149 0.696 1.00 10.00 N ATOM 112 CA SER A 9 5.137 10.705 1.672 1.00 10.00 C ATOM 113 C SER A 9 4.426 11.760 2.521 1.00 10.00 C ATOM 114 O SER A 9 3.387 12.287 2.123 1.00 10.00 O ATOM 115 CB SER A 9 6.362 11.313 0.987 1.00 10.00 C ATOM 116 OG SER A 9 7.507 11.300 1.835 1.00 10.00 O ATOM 0 H SER A 9 3.643 10.839 0.207 1.00 10.00 H new ATOM 0 HA SER A 9 5.480 9.897 2.319 1.00 10.00 H new ATOM 0 HB2 SER A 9 6.580 10.758 0.074 1.00 10.00 H new ATOM 0 HB3 SER A 9 6.141 12.339 0.692 1.00 10.00 H new ATOM 0 HG SER A 9 8.269 11.695 1.362 1.00 10.00 H new ATOM 122 N ASP A 10 5.013 12.038 3.675 1.00 10.00 N ATOM 123 CA ASP A 10 4.449 13.021 4.584 1.00 10.00 C ATOM 124 C ASP A 10 4.019 14.257 3.790 1.00 10.00 C ATOM 125 O ASP A 10 2.832 14.569 3.716 1.00 10.00 O ATOM 126 CB ASP A 10 5.480 13.465 5.626 1.00 10.00 C ATOM 127 CG ASP A 10 6.406 12.357 6.130 1.00 10.00 C ATOM 128 OD1 ASP A 10 7.350 12.021 5.382 1.00 10.00 O ATOM 129 OD2 ASP A 10 6.148 11.870 7.253 1.00 10.00 O ATOM 0 H ASP A 10 5.874 11.600 4.002 1.00 10.00 H new ATOM 0 HA ASP A 10 3.599 12.563 5.089 1.00 10.00 H new ATOM 0 HB2 ASP A 10 6.089 14.260 5.197 1.00 10.00 H new ATOM 0 HB3 ASP A 10 4.952 13.893 6.478 1.00 10.00 H new ATOM 134 N SER A 11 5.008 14.926 3.216 1.00 10.00 N ATOM 135 CA SER A 11 4.747 16.120 2.430 1.00 10.00 C ATOM 136 C SER A 11 3.695 15.822 1.359 1.00 10.00 C ATOM 137 O SER A 11 2.736 16.574 1.200 1.00 10.00 O ATOM 138 CB SER A 11 6.030 16.644 1.782 1.00 10.00 C ATOM 139 OG SER A 11 6.635 17.678 2.556 1.00 10.00 O ATOM 0 H SER A 11 5.992 14.664 3.280 1.00 10.00 H new ATOM 0 HA SER A 11 4.367 16.893 3.098 1.00 10.00 H new ATOM 0 HB2 SER A 11 6.736 15.823 1.659 1.00 10.00 H new ATOM 0 HB3 SER A 11 5.804 17.022 0.785 1.00 10.00 H new ATOM 0 HG SER A 11 7.452 17.985 2.110 1.00 10.00 H new ATOM 145 N GLY A 12 3.912 14.722 0.653 1.00 10.00 N ATOM 146 CA GLY A 12 2.994 14.315 -0.398 1.00 10.00 C ATOM 147 C GLY A 12 3.724 14.172 -1.735 1.00 10.00 C ATOM 148 O GLY A 12 3.351 14.807 -2.721 1.00 10.00 O ATOM 0 H GLY A 12 4.709 14.100 0.788 1.00 10.00 H new ATOM 0 HA2 GLY A 12 2.526 13.367 -0.131 1.00 10.00 H new ATOM 0 HA3 GLY A 12 2.194 15.050 -0.492 1.00 10.00 H new ATOM 152 N ALA A 13 4.747 13.330 -1.728 1.00 10.00 N ATOM 153 CA ALA A 13 5.531 13.094 -2.928 1.00 10.00 C ATOM 154 C ALA A 13 5.128 11.750 -3.539 1.00 10.00 C ATOM 155 O ALA A 13 4.284 11.042 -2.990 1.00 10.00 O ATOM 156 CB ALA A 13 7.020 13.156 -2.586 1.00 10.00 C ATOM 0 H ALA A 13 5.051 12.803 -0.910 1.00 10.00 H new ATOM 0 HA ALA A 13 5.336 13.866 -3.672 1.00 10.00 H new ATOM 0 HB1 ALA A 13 7.608 12.979 -3.487 1.00 10.00 H new ATOM 0 HB2 ALA A 13 7.260 14.140 -2.184 1.00 10.00 H new ATOM 0 HB3 ALA A 13 7.255 12.393 -1.844 1.00 10.00 H new ATOM 162 N LEU A 14 5.750 11.437 -4.666 1.00 10.00 N ATOM 163 CA LEU A 14 5.468 10.192 -5.357 1.00 10.00 C ATOM 164 C LEU A 14 6.129 9.035 -4.605 1.00 10.00 C ATOM 165 O LEU A 14 6.508 9.182 -3.443 1.00 10.00 O ATOM 166 CB LEU A 14 5.884 10.287 -6.826 1.00 10.00 C ATOM 167 CG LEU A 14 4.744 10.317 -7.846 1.00 10.00 C ATOM 168 CD1 LEU A 14 4.462 11.748 -8.312 1.00 10.00 C ATOM 169 CD2 LEU A 14 5.032 9.380 -9.020 1.00 10.00 C ATOM 0 H LEU A 14 6.450 12.026 -5.118 1.00 10.00 H new ATOM 0 HA LEU A 14 4.396 9.997 -5.366 1.00 10.00 H new ATOM 0 HB2 LEU A 14 6.484 11.188 -6.955 1.00 10.00 H new ATOM 0 HB3 LEU A 14 6.528 9.439 -7.056 1.00 10.00 H new ATOM 0 HG LEU A 14 3.840 9.952 -7.357 1.00 10.00 H new ATOM 0 HD11 LEU A 14 3.648 11.741 -9.036 1.00 10.00 H new ATOM 0 HD12 LEU A 14 4.181 12.361 -7.456 1.00 10.00 H new ATOM 0 HD13 LEU A 14 5.357 12.162 -8.776 1.00 10.00 H new ATOM 0 HD21 LEU A 14 4.206 9.421 -9.730 1.00 10.00 H new ATOM 0 HD22 LEU A 14 5.952 9.690 -9.516 1.00 10.00 H new ATOM 0 HD23 LEU A 14 5.144 8.360 -8.652 1.00 10.00 H new ATOM 181 N VAL A 15 6.246 7.910 -5.296 1.00 10.00 N ATOM 182 CA VAL A 15 6.854 6.729 -4.708 1.00 10.00 C ATOM 183 C VAL A 15 6.196 6.443 -3.357 1.00 10.00 C ATOM 184 O VAL A 15 5.332 7.196 -2.910 1.00 10.00 O ATOM 185 CB VAL A 15 8.369 6.916 -4.608 1.00 10.00 C ATOM 186 CG1 VAL A 15 8.955 7.367 -5.946 1.00 10.00 C ATOM 187 CG2 VAL A 15 8.729 7.900 -3.493 1.00 10.00 C ATOM 0 H VAL A 15 5.930 7.792 -6.258 1.00 10.00 H new ATOM 0 HA VAL A 15 6.689 5.857 -5.341 1.00 10.00 H new ATOM 0 HB VAL A 15 8.809 5.951 -4.357 1.00 10.00 H new ATOM 0 HG11 VAL A 15 10.033 7.493 -5.847 1.00 10.00 H new ATOM 0 HG12 VAL A 15 8.745 6.615 -6.707 1.00 10.00 H new ATOM 0 HG13 VAL A 15 8.505 8.315 -6.239 1.00 10.00 H new ATOM 0 HG21 VAL A 15 9.812 8.014 -3.444 1.00 10.00 H new ATOM 0 HG22 VAL A 15 8.271 8.867 -3.700 1.00 10.00 H new ATOM 0 HG23 VAL A 15 8.361 7.520 -2.540 1.00 10.00 H new ATOM 197 N PHE A 16 6.633 5.353 -2.741 1.00 10.00 N ATOM 198 CA PHE A 16 6.098 4.957 -1.450 1.00 10.00 C ATOM 199 C PHE A 16 7.220 4.770 -0.426 1.00 10.00 C ATOM 200 O PHE A 16 8.289 4.260 -0.757 1.00 10.00 O ATOM 201 CB PHE A 16 5.381 3.621 -1.653 1.00 10.00 C ATOM 202 CG PHE A 16 4.038 3.739 -2.379 1.00 10.00 C ATOM 203 CD1 PHE A 16 2.943 4.189 -1.712 1.00 10.00 C ATOM 204 CD2 PHE A 16 3.944 3.396 -3.691 1.00 10.00 C ATOM 205 CE1 PHE A 16 1.697 4.299 -2.386 1.00 10.00 C ATOM 206 CE2 PHE A 16 2.698 3.505 -4.364 1.00 10.00 C ATOM 207 CZ PHE A 16 1.601 3.954 -3.698 1.00 10.00 C ATOM 0 H PHE A 16 7.352 4.732 -3.113 1.00 10.00 H new ATOM 0 HA PHE A 16 5.424 5.727 -1.075 1.00 10.00 H new ATOM 0 HB2 PHE A 16 6.031 2.954 -2.219 1.00 10.00 H new ATOM 0 HB3 PHE A 16 5.217 3.157 -0.680 1.00 10.00 H new ATOM 0 HD1 PHE A 16 3.020 4.463 -0.670 1.00 10.00 H new ATOM 0 HD2 PHE A 16 4.816 3.041 -4.221 1.00 10.00 H new ATOM 0 HE1 PHE A 16 0.826 4.657 -1.856 1.00 10.00 H new ATOM 0 HE2 PHE A 16 2.622 3.231 -5.406 1.00 10.00 H new ATOM 0 HZ PHE A 16 0.654 4.037 -4.211 1.00 10.00 H new ATOM 217 N GLU A 17 6.937 5.193 0.798 1.00 10.00 N ATOM 218 CA GLU A 17 7.908 5.078 1.873 1.00 10.00 C ATOM 219 C GLU A 17 7.233 4.562 3.145 1.00 10.00 C ATOM 220 O GLU A 17 6.198 5.083 3.557 1.00 10.00 O ATOM 221 CB GLU A 17 8.606 6.415 2.125 1.00 10.00 C ATOM 222 CG GLU A 17 9.932 6.495 1.365 1.00 10.00 C ATOM 223 CD GLU A 17 11.117 6.261 2.303 1.00 10.00 C ATOM 224 OE1 GLU A 17 11.357 5.079 2.633 1.00 10.00 O ATOM 225 OE2 GLU A 17 11.756 7.271 2.673 1.00 10.00 O ATOM 0 H GLU A 17 6.049 5.616 1.069 1.00 10.00 H new ATOM 0 HA GLU A 17 8.670 4.359 1.573 1.00 10.00 H new ATOM 0 HB2 GLU A 17 7.955 7.233 1.815 1.00 10.00 H new ATOM 0 HB3 GLU A 17 8.787 6.539 3.193 1.00 10.00 H new ATOM 0 HG2 GLU A 17 9.943 5.752 0.567 1.00 10.00 H new ATOM 0 HG3 GLU A 17 10.026 7.473 0.892 1.00 10.00 H new ATOM 232 N PRO A 18 7.863 3.519 3.747 1.00 10.00 N ATOM 233 CA PRO A 18 9.084 2.961 3.193 1.00 10.00 C ATOM 234 C PRO A 18 8.788 2.112 1.954 1.00 10.00 C ATOM 235 O PRO A 18 7.850 1.316 1.954 1.00 10.00 O ATOM 236 CB PRO A 18 9.703 2.160 4.327 1.00 10.00 C ATOM 237 CG PRO A 18 8.581 1.915 5.323 1.00 10.00 C ATOM 238 CD PRO A 18 7.430 2.843 4.967 1.00 10.00 C ATOM 0 HA PRO A 18 9.774 3.729 2.843 1.00 10.00 H new ATOM 0 HB2 PRO A 18 10.114 1.219 3.962 1.00 10.00 H new ATOM 0 HB3 PRO A 18 10.524 2.708 4.790 1.00 10.00 H new ATOM 0 HG2 PRO A 18 8.258 0.875 5.286 1.00 10.00 H new ATOM 0 HG3 PRO A 18 8.925 2.106 6.340 1.00 10.00 H new ATOM 0 HD2 PRO A 18 6.507 2.286 4.805 1.00 10.00 H new ATOM 0 HD3 PRO A 18 7.235 3.557 5.767 1.00 10.00 H new ATOM 246 N SER A 19 9.605 2.311 0.930 1.00 10.00 N ATOM 247 CA SER A 19 9.441 1.574 -0.311 1.00 10.00 C ATOM 248 C SER A 19 9.446 0.070 -0.031 1.00 10.00 C ATOM 249 O SER A 19 8.541 -0.647 -0.458 1.00 10.00 O ATOM 250 CB SER A 19 10.542 1.931 -1.312 1.00 10.00 C ATOM 251 OG SER A 19 10.603 3.332 -1.562 1.00 10.00 O ATOM 0 H SER A 19 10.382 2.972 0.935 1.00 10.00 H new ATOM 0 HA SER A 19 8.483 1.852 -0.750 1.00 10.00 H new ATOM 0 HB2 SER A 19 11.504 1.589 -0.930 1.00 10.00 H new ATOM 0 HB3 SER A 19 10.365 1.403 -2.249 1.00 10.00 H new ATOM 0 HG SER A 19 9.730 3.736 -1.374 1.00 10.00 H new ATOM 257 N THR A 20 10.474 -0.363 0.683 1.00 10.00 N ATOM 258 CA THR A 20 10.608 -1.770 1.024 1.00 10.00 C ATOM 259 C THR A 20 10.346 -1.982 2.517 1.00 10.00 C ATOM 260 O THR A 20 10.790 -1.192 3.349 1.00 10.00 O ATOM 261 CB THR A 20 11.995 -2.235 0.578 1.00 10.00 C ATOM 262 OG1 THR A 20 12.167 -1.632 -0.702 1.00 10.00 O ATOM 263 CG2 THR A 20 12.045 -3.736 0.291 1.00 10.00 C ATOM 0 H THR A 20 11.222 0.235 1.035 1.00 10.00 H new ATOM 0 HA THR A 20 9.865 -2.376 0.505 1.00 10.00 H new ATOM 0 HB THR A 20 12.726 -1.988 1.348 1.00 10.00 H new ATOM 0 HG1 THR A 20 13.043 -1.880 -1.065 1.00 10.00 H new ATOM 0 HG21 THR A 20 13.052 -4.013 -0.022 1.00 10.00 H new ATOM 0 HG22 THR A 20 11.780 -4.288 1.193 1.00 10.00 H new ATOM 0 HG23 THR A 20 11.339 -3.978 -0.503 1.00 10.00 H new ATOM 271 N VAL A 21 9.628 -3.056 2.812 1.00 10.00 N ATOM 272 CA VAL A 21 9.303 -3.384 4.190 1.00 10.00 C ATOM 273 C VAL A 21 9.366 -4.901 4.378 1.00 10.00 C ATOM 274 O VAL A 21 9.037 -5.658 3.466 1.00 10.00 O ATOM 275 CB VAL A 21 7.941 -2.792 4.562 1.00 10.00 C ATOM 276 CG1 VAL A 21 7.920 -1.279 4.335 1.00 10.00 C ATOM 277 CG2 VAL A 21 6.815 -3.477 3.784 1.00 10.00 C ATOM 0 H VAL A 21 9.262 -3.710 2.120 1.00 10.00 H new ATOM 0 HA VAL A 21 10.032 -2.942 4.869 1.00 10.00 H new ATOM 0 HB VAL A 21 7.776 -2.974 5.624 1.00 10.00 H new ATOM 0 HG11 VAL A 21 6.941 -0.884 4.607 1.00 10.00 H new ATOM 0 HG12 VAL A 21 8.686 -0.808 4.951 1.00 10.00 H new ATOM 0 HG13 VAL A 21 8.118 -1.066 3.285 1.00 10.00 H new ATOM 0 HG21 VAL A 21 5.858 -3.038 4.067 1.00 10.00 H new ATOM 0 HG22 VAL A 21 6.976 -3.339 2.715 1.00 10.00 H new ATOM 0 HG23 VAL A 21 6.808 -4.542 4.016 1.00 10.00 H new ATOM 287 N THR A 22 9.794 -5.300 5.567 1.00 10.00 N ATOM 288 CA THR A 22 9.906 -6.712 5.885 1.00 10.00 C ATOM 289 C THR A 22 8.633 -7.206 6.577 1.00 10.00 C ATOM 290 O THR A 22 8.077 -6.514 7.429 1.00 10.00 O ATOM 291 CB THR A 22 11.168 -6.910 6.726 1.00 10.00 C ATOM 292 OG1 THR A 22 11.263 -5.714 7.497 1.00 10.00 O ATOM 293 CG2 THR A 22 12.442 -6.908 5.879 1.00 10.00 C ATOM 0 H THR A 22 10.067 -4.670 6.321 1.00 10.00 H new ATOM 0 HA THR A 22 10.003 -7.313 4.981 1.00 10.00 H new ATOM 0 HB THR A 22 11.096 -7.851 7.272 1.00 10.00 H new ATOM 0 HG1 THR A 22 12.054 -5.758 8.073 1.00 10.00 H new ATOM 0 HG21 THR A 22 13.308 -7.052 6.525 1.00 10.00 H new ATOM 0 HG22 THR A 22 12.395 -7.716 5.149 1.00 10.00 H new ATOM 0 HG23 THR A 22 12.532 -5.954 5.359 1.00 10.00 H new ATOM 301 N ILE A 23 8.208 -8.397 6.185 1.00 10.00 N ATOM 302 CA ILE A 23 7.011 -8.991 6.757 1.00 10.00 C ATOM 303 C ILE A 23 7.226 -10.496 6.928 1.00 10.00 C ATOM 304 O ILE A 23 8.098 -11.080 6.288 1.00 10.00 O ATOM 305 CB ILE A 23 5.784 -8.637 5.915 1.00 10.00 C ATOM 306 CG1 ILE A 23 4.493 -9.052 6.626 1.00 10.00 C ATOM 307 CG2 ILE A 23 5.886 -9.242 4.513 1.00 10.00 C ATOM 308 CD1 ILE A 23 3.270 -8.772 5.750 1.00 10.00 C ATOM 0 H ILE A 23 8.671 -8.968 5.478 1.00 10.00 H new ATOM 0 HA ILE A 23 6.818 -8.582 7.749 1.00 10.00 H new ATOM 0 HB ILE A 23 5.753 -7.554 5.796 1.00 10.00 H new ATOM 0 HG12 ILE A 23 4.534 -10.113 6.871 1.00 10.00 H new ATOM 0 HG13 ILE A 23 4.402 -8.510 7.568 1.00 10.00 H new ATOM 0 HG21 ILE A 23 5.001 -8.975 3.936 1.00 10.00 H new ATOM 0 HG22 ILE A 23 6.775 -8.856 4.014 1.00 10.00 H new ATOM 0 HG23 ILE A 23 5.955 -10.327 4.589 1.00 10.00 H new ATOM 0 HD11 ILE A 23 2.367 -9.076 6.279 1.00 10.00 H new ATOM 0 HD12 ILE A 23 3.219 -7.706 5.527 1.00 10.00 H new ATOM 0 HD13 ILE A 23 3.352 -9.334 4.820 1.00 10.00 H new ATOM 320 N LYS A 24 6.414 -11.083 7.796 1.00 10.00 N ATOM 321 CA LYS A 24 6.504 -12.508 8.059 1.00 10.00 C ATOM 322 C LYS A 24 5.480 -13.248 7.195 1.00 10.00 C ATOM 323 O LYS A 24 4.531 -12.644 6.698 1.00 10.00 O ATOM 324 CB LYS A 24 6.358 -12.787 9.557 1.00 10.00 C ATOM 325 CG LYS A 24 7.723 -12.782 10.250 1.00 10.00 C ATOM 326 CD LYS A 24 8.010 -14.136 10.903 1.00 10.00 C ATOM 327 CE LYS A 24 8.720 -13.956 12.246 1.00 10.00 C ATOM 328 NZ LYS A 24 8.291 -15.000 13.203 1.00 10.00 N ATOM 0 H LYS A 24 5.691 -10.596 8.326 1.00 10.00 H new ATOM 0 HA LYS A 24 7.489 -12.884 7.781 1.00 10.00 H new ATOM 0 HB2 LYS A 24 5.713 -12.034 10.010 1.00 10.00 H new ATOM 0 HB3 LYS A 24 5.874 -13.752 9.706 1.00 10.00 H new ATOM 0 HG2 LYS A 24 8.503 -12.551 9.524 1.00 10.00 H new ATOM 0 HG3 LYS A 24 7.749 -11.997 11.006 1.00 10.00 H new ATOM 0 HD2 LYS A 24 7.076 -14.678 11.051 1.00 10.00 H new ATOM 0 HD3 LYS A 24 8.628 -14.741 10.239 1.00 10.00 H new ATOM 0 HE2 LYS A 24 9.799 -14.007 12.103 1.00 10.00 H new ATOM 0 HE3 LYS A 24 8.498 -12.969 12.652 1.00 10.00 H new ATOM 0 HZ1 LYS A 24 8.782 -14.863 14.109 1.00 10.00 H new ATOM 0 HZ2 LYS A 24 7.264 -14.933 13.352 1.00 10.00 H new ATOM 0 HZ3 LYS A 24 8.525 -15.939 12.821 1.00 10.00 H new ATOM 342 N ALA A 25 5.709 -14.544 7.042 1.00 10.00 N ATOM 343 CA ALA A 25 4.819 -15.372 6.246 1.00 10.00 C ATOM 344 C ALA A 25 3.566 -15.698 7.062 1.00 10.00 C ATOM 345 O ALA A 25 3.507 -16.729 7.731 1.00 10.00 O ATOM 346 CB ALA A 25 5.561 -16.630 5.792 1.00 10.00 C ATOM 0 H ALA A 25 6.498 -15.041 7.456 1.00 10.00 H new ATOM 0 HA ALA A 25 4.500 -14.840 5.350 1.00 10.00 H new ATOM 0 HB1 ALA A 25 4.893 -17.251 5.195 1.00 10.00 H new ATOM 0 HB2 ALA A 25 6.425 -16.346 5.192 1.00 10.00 H new ATOM 0 HB3 ALA A 25 5.894 -17.191 6.665 1.00 10.00 H new ATOM 352 N GLY A 26 2.596 -14.800 6.982 1.00 10.00 N ATOM 353 CA GLY A 26 1.348 -14.979 7.705 1.00 10.00 C ATOM 354 C GLY A 26 0.806 -13.637 8.203 1.00 10.00 C ATOM 355 O GLY A 26 -0.390 -13.503 8.458 1.00 10.00 O ATOM 0 H GLY A 26 2.649 -13.946 6.427 1.00 10.00 H new ATOM 0 HA2 GLY A 26 0.612 -15.454 7.056 1.00 10.00 H new ATOM 0 HA3 GLY A 26 1.506 -15.648 8.551 1.00 10.00 H new ATOM 359 N GLU A 27 1.711 -12.678 8.326 1.00 10.00 N ATOM 360 CA GLU A 27 1.339 -11.351 8.788 1.00 10.00 C ATOM 361 C GLU A 27 0.592 -10.596 7.688 1.00 10.00 C ATOM 362 O GLU A 27 0.359 -11.136 6.606 1.00 10.00 O ATOM 363 CB GLU A 27 2.567 -10.567 9.254 1.00 10.00 C ATOM 364 CG GLU A 27 3.007 -11.017 10.650 1.00 10.00 C ATOM 365 CD GLU A 27 2.213 -10.289 11.736 1.00 10.00 C ATOM 366 OE1 GLU A 27 0.980 -10.496 11.772 1.00 10.00 O ATOM 367 OE2 GLU A 27 2.856 -9.542 12.504 1.00 10.00 O ATOM 0 H GLU A 27 2.702 -12.793 8.114 1.00 10.00 H new ATOM 0 HA GLU A 27 0.673 -11.460 9.644 1.00 10.00 H new ATOM 0 HB2 GLU A 27 3.384 -10.710 8.547 1.00 10.00 H new ATOM 0 HB3 GLU A 27 2.339 -9.501 9.266 1.00 10.00 H new ATOM 0 HG2 GLU A 27 2.865 -12.093 10.751 1.00 10.00 H new ATOM 0 HG3 GLU A 27 4.071 -10.822 10.780 1.00 10.00 H new ATOM 374 N GLU A 28 0.234 -9.359 8.000 1.00 10.00 N ATOM 375 CA GLU A 28 -0.481 -8.524 7.051 1.00 10.00 C ATOM 376 C GLU A 28 0.204 -7.161 6.921 1.00 10.00 C ATOM 377 O GLU A 28 1.147 -6.864 7.653 1.00 10.00 O ATOM 378 CB GLU A 28 -1.947 -8.365 7.459 1.00 10.00 C ATOM 379 CG GLU A 28 -2.133 -8.627 8.955 1.00 10.00 C ATOM 380 CD GLU A 28 -2.344 -10.118 9.228 1.00 10.00 C ATOM 381 OE1 GLU A 28 -3.467 -10.591 8.953 1.00 10.00 O ATOM 382 OE2 GLU A 28 -1.377 -10.749 9.707 1.00 10.00 O ATOM 0 H GLU A 28 0.426 -8.915 8.898 1.00 10.00 H new ATOM 0 HA GLU A 28 -0.460 -9.013 6.077 1.00 10.00 H new ATOM 0 HB2 GLU A 28 -2.288 -7.358 7.218 1.00 10.00 H new ATOM 0 HB3 GLU A 28 -2.564 -9.057 6.886 1.00 10.00 H new ATOM 0 HG2 GLU A 28 -1.258 -8.274 9.501 1.00 10.00 H new ATOM 0 HG3 GLU A 28 -2.989 -8.061 9.323 1.00 10.00 H new ATOM 389 N VAL A 29 -0.298 -6.371 5.983 1.00 10.00 N ATOM 390 CA VAL A 29 0.254 -5.047 5.748 1.00 10.00 C ATOM 391 C VAL A 29 -0.886 -4.027 5.690 1.00 10.00 C ATOM 392 O VAL A 29 -1.959 -4.319 5.163 1.00 10.00 O ATOM 393 CB VAL A 29 1.113 -5.056 4.483 1.00 10.00 C ATOM 394 CG1 VAL A 29 1.229 -3.650 3.889 1.00 10.00 C ATOM 395 CG2 VAL A 29 2.495 -5.648 4.763 1.00 10.00 C ATOM 0 H VAL A 29 -1.080 -6.622 5.378 1.00 10.00 H new ATOM 0 HA VAL A 29 0.910 -4.755 6.568 1.00 10.00 H new ATOM 0 HB VAL A 29 0.619 -5.691 3.747 1.00 10.00 H new ATOM 0 HG11 VAL A 29 1.845 -3.684 2.990 1.00 10.00 H new ATOM 0 HG12 VAL A 29 0.236 -3.280 3.634 1.00 10.00 H new ATOM 0 HG13 VAL A 29 1.689 -2.984 4.619 1.00 10.00 H new ATOM 0 HG21 VAL A 29 3.086 -5.643 3.847 1.00 10.00 H new ATOM 0 HG22 VAL A 29 2.999 -5.051 5.523 1.00 10.00 H new ATOM 0 HG23 VAL A 29 2.387 -6.673 5.119 1.00 10.00 H new ATOM 405 N LYS A 30 -0.616 -2.854 6.240 1.00 10.00 N ATOM 406 CA LYS A 30 -1.605 -1.789 6.258 1.00 10.00 C ATOM 407 C LYS A 30 -1.091 -0.608 5.432 1.00 10.00 C ATOM 408 O LYS A 30 0.006 -0.106 5.673 1.00 10.00 O ATOM 409 CB LYS A 30 -1.969 -1.420 7.697 1.00 10.00 C ATOM 410 CG LYS A 30 -3.062 -0.349 7.728 1.00 10.00 C ATOM 411 CD LYS A 30 -2.942 0.519 8.982 1.00 10.00 C ATOM 412 CE LYS A 30 -3.419 -0.240 10.222 1.00 10.00 C ATOM 413 NZ LYS A 30 -4.783 0.190 10.601 1.00 10.00 N ATOM 0 H LYS A 30 0.274 -2.616 6.677 1.00 10.00 H new ATOM 0 HA LYS A 30 -2.533 -2.123 5.795 1.00 10.00 H new ATOM 0 HB2 LYS A 30 -2.310 -2.308 8.229 1.00 10.00 H new ATOM 0 HB3 LYS A 30 -1.083 -1.056 8.218 1.00 10.00 H new ATOM 0 HG2 LYS A 30 -2.988 0.277 6.839 1.00 10.00 H new ATOM 0 HG3 LYS A 30 -4.043 -0.824 7.702 1.00 10.00 H new ATOM 0 HD2 LYS A 30 -1.905 0.828 9.117 1.00 10.00 H new ATOM 0 HD3 LYS A 30 -3.532 1.427 8.858 1.00 10.00 H new ATOM 0 HE2 LYS A 30 -3.411 -1.312 10.025 1.00 10.00 H new ATOM 0 HE3 LYS A 30 -2.733 -0.063 11.050 1.00 10.00 H new ATOM 0 HZ1 LYS A 30 -5.091 -0.335 11.444 1.00 10.00 H new ATOM 0 HZ2 LYS A 30 -4.780 1.209 10.809 1.00 10.00 H new ATOM 0 HZ3 LYS A 30 -5.438 -0.001 9.816 1.00 10.00 H new ATOM 427 N TRP A 31 -1.909 -0.198 4.473 1.00 10.00 N ATOM 428 CA TRP A 31 -1.551 0.914 3.609 1.00 10.00 C ATOM 429 C TRP A 31 -2.495 2.078 3.921 1.00 10.00 C ATOM 430 O TRP A 31 -3.632 2.102 3.453 1.00 10.00 O ATOM 431 CB TRP A 31 -1.583 0.498 2.136 1.00 10.00 C ATOM 432 CG TRP A 31 -0.343 -0.275 1.682 1.00 10.00 C ATOM 433 CD1 TRP A 31 0.881 0.206 1.423 1.00 10.00 C ATOM 434 CD2 TRP A 31 -0.256 -1.695 1.440 1.00 10.00 C ATOM 435 NE1 TRP A 31 1.747 -0.796 1.035 1.00 10.00 N ATOM 436 CE2 TRP A 31 1.034 -1.989 1.046 1.00 10.00 C ATOM 437 CE3 TRP A 31 -1.234 -2.698 1.552 1.00 10.00 C ATOM 438 CZ2 TRP A 31 1.462 -3.284 0.731 1.00 10.00 C ATOM 439 CZ3 TRP A 31 -0.790 -3.987 1.234 1.00 10.00 C ATOM 440 CH2 TRP A 31 0.505 -4.299 0.834 1.00 10.00 C ATOM 0 H TRP A 31 -2.818 -0.616 4.276 1.00 10.00 H new ATOM 0 HA TRP A 31 -0.527 1.235 3.799 1.00 10.00 H new ATOM 0 HB2 TRP A 31 -2.466 -0.117 1.962 1.00 10.00 H new ATOM 0 HB3 TRP A 31 -1.689 1.390 1.519 1.00 10.00 H new ATOM 0 HD1 TRP A 31 1.155 1.247 1.507 1.00 10.00 H new ATOM 0 HE1 TRP A 31 2.730 -0.682 0.786 1.00 10.00 H new ATOM 0 HE3 TRP A 31 -2.248 -2.491 1.859 1.00 10.00 H new ATOM 0 HZ2 TRP A 31 2.477 -3.489 0.425 1.00 10.00 H new ATOM 0 HZ3 TRP A 31 -1.503 -4.795 1.304 1.00 10.00 H new ATOM 0 HH2 TRP A 31 0.771 -5.320 0.604 1.00 10.00 H new ATOM 451 N VAL A 32 -1.987 3.014 4.710 1.00 10.00 N ATOM 452 CA VAL A 32 -2.771 4.177 5.090 1.00 10.00 C ATOM 453 C VAL A 32 -2.585 5.276 4.043 1.00 10.00 C ATOM 454 O VAL A 32 -1.495 5.441 3.498 1.00 10.00 O ATOM 455 CB VAL A 32 -2.389 4.626 6.502 1.00 10.00 C ATOM 456 CG1 VAL A 32 -3.128 5.907 6.889 1.00 10.00 C ATOM 457 CG2 VAL A 32 -2.648 3.514 7.520 1.00 10.00 C ATOM 0 H VAL A 32 -1.043 2.991 5.096 1.00 10.00 H new ATOM 0 HA VAL A 32 -3.832 3.930 5.117 1.00 10.00 H new ATOM 0 HB VAL A 32 -1.321 4.842 6.507 1.00 10.00 H new ATOM 0 HG11 VAL A 32 -2.838 6.204 7.897 1.00 10.00 H new ATOM 0 HG12 VAL A 32 -2.870 6.701 6.189 1.00 10.00 H new ATOM 0 HG13 VAL A 32 -4.203 5.730 6.858 1.00 10.00 H new ATOM 0 HG21 VAL A 32 -2.368 3.859 8.515 1.00 10.00 H new ATOM 0 HG22 VAL A 32 -3.706 3.252 7.511 1.00 10.00 H new ATOM 0 HG23 VAL A 32 -2.055 2.637 7.260 1.00 10.00 H new ATOM 467 N ASN A 33 -3.666 6.000 3.793 1.00 10.00 N ATOM 468 CA ASN A 33 -3.636 7.079 2.821 1.00 10.00 C ATOM 469 C ASN A 33 -3.003 8.318 3.458 1.00 10.00 C ATOM 470 O ASN A 33 -3.513 8.842 4.447 1.00 10.00 O ATOM 471 CB ASN A 33 -5.049 7.451 2.367 1.00 10.00 C ATOM 472 CG ASN A 33 -5.576 6.449 1.338 1.00 10.00 C ATOM 473 OD1 ASN A 33 -5.252 6.498 0.163 1.00 10.00 O ATOM 474 ND2 ASN A 33 -6.406 5.541 1.844 1.00 10.00 N ATOM 0 H ASN A 33 -4.569 5.860 4.247 1.00 10.00 H new ATOM 0 HA ASN A 33 -3.058 6.741 1.961 1.00 10.00 H new ATOM 0 HB2 ASN A 33 -5.716 7.478 3.228 1.00 10.00 H new ATOM 0 HB3 ASN A 33 -5.045 8.452 1.936 1.00 10.00 H new ATOM 0 HD21 ASN A 33 -6.813 4.829 1.238 1.00 10.00 H new ATOM 0 HD22 ASN A 33 -6.635 5.557 2.838 1.00 10.00 H new ATOM 481 N ASN A 34 -1.900 8.749 2.867 1.00 10.00 N ATOM 482 CA ASN A 34 -1.191 9.916 3.364 1.00 10.00 C ATOM 483 C ASN A 34 -1.815 11.180 2.767 1.00 10.00 C ATOM 484 O ASN A 34 -2.477 11.941 3.471 1.00 10.00 O ATOM 485 CB ASN A 34 0.284 9.881 2.957 1.00 10.00 C ATOM 486 CG ASN A 34 0.876 11.291 2.917 1.00 10.00 C ATOM 487 OD1 ASN A 34 1.043 11.892 1.870 1.00 10.00 O ATOM 488 ND2 ASN A 34 1.184 11.782 4.114 1.00 10.00 N ATOM 0 H ASN A 34 -1.479 8.311 2.048 1.00 10.00 H new ATOM 0 HA ASN A 34 -1.265 9.916 4.451 1.00 10.00 H new ATOM 0 HB2 ASN A 34 0.845 9.267 3.662 1.00 10.00 H new ATOM 0 HB3 ASN A 34 0.384 9.413 1.978 1.00 10.00 H new ATOM 0 HD21 ASN A 34 1.586 12.716 4.194 1.00 10.00 H new ATOM 0 HD22 ASN A 34 1.018 11.225 4.952 1.00 10.00 H new ATOM 495 N LYS A 35 -1.582 11.363 1.476 1.00 10.00 N ATOM 496 CA LYS A 35 -2.111 12.521 0.776 1.00 10.00 C ATOM 497 C LYS A 35 -1.963 12.312 -0.732 1.00 10.00 C ATOM 498 O LYS A 35 -1.855 11.179 -1.198 1.00 10.00 O ATOM 499 CB LYS A 35 -1.453 13.805 1.287 1.00 10.00 C ATOM 500 CG LYS A 35 -2.494 14.905 1.504 1.00 10.00 C ATOM 501 CD LYS A 35 -3.365 14.603 2.724 1.00 10.00 C ATOM 502 CE LYS A 35 -4.496 15.625 2.857 1.00 10.00 C ATOM 503 NZ LYS A 35 -5.214 15.441 4.137 1.00 10.00 N ATOM 0 H LYS A 35 -1.033 10.728 0.896 1.00 10.00 H new ATOM 0 HA LYS A 35 -3.176 12.634 0.979 1.00 10.00 H new ATOM 0 HB2 LYS A 35 -0.931 13.603 2.223 1.00 10.00 H new ATOM 0 HB3 LYS A 35 -0.704 14.144 0.571 1.00 10.00 H new ATOM 0 HG2 LYS A 35 -1.993 15.863 1.639 1.00 10.00 H new ATOM 0 HG3 LYS A 35 -3.122 14.996 0.618 1.00 10.00 H new ATOM 0 HD2 LYS A 35 -3.784 13.601 2.637 1.00 10.00 H new ATOM 0 HD3 LYS A 35 -2.752 14.615 3.625 1.00 10.00 H new ATOM 0 HE2 LYS A 35 -4.089 16.635 2.803 1.00 10.00 H new ATOM 0 HE3 LYS A 35 -5.191 15.517 2.025 1.00 10.00 H new ATOM 0 HZ1 LYS A 35 -5.978 16.143 4.210 1.00 10.00 H new ATOM 0 HZ2 LYS A 35 -5.619 14.484 4.174 1.00 10.00 H new ATOM 0 HZ3 LYS A 35 -4.551 15.567 4.928 1.00 10.00 H new ATOM 517 N LEU A 36 -1.963 13.423 -1.454 1.00 10.00 N ATOM 518 CA LEU A 36 -1.829 13.376 -2.901 1.00 10.00 C ATOM 519 C LEU A 36 -2.704 12.249 -3.452 1.00 10.00 C ATOM 520 O LEU A 36 -2.196 11.300 -4.047 1.00 10.00 O ATOM 521 CB LEU A 36 -0.356 13.264 -3.299 1.00 10.00 C ATOM 522 CG LEU A 36 0.353 11.973 -2.888 1.00 10.00 C ATOM 523 CD1 LEU A 36 1.407 11.572 -3.921 1.00 10.00 C ATOM 524 CD2 LEU A 36 0.947 12.098 -1.483 1.00 10.00 C ATOM 0 H LEU A 36 -2.054 14.361 -1.064 1.00 10.00 H new ATOM 0 HA LEU A 36 -2.185 14.304 -3.348 1.00 10.00 H new ATOM 0 HB2 LEU A 36 -0.284 13.366 -4.382 1.00 10.00 H new ATOM 0 HB3 LEU A 36 0.183 14.105 -2.863 1.00 10.00 H new ATOM 0 HG LEU A 36 -0.387 11.173 -2.856 1.00 10.00 H new ATOM 0 HD11 LEU A 36 1.896 10.651 -3.604 1.00 10.00 H new ATOM 0 HD12 LEU A 36 0.928 11.414 -4.887 1.00 10.00 H new ATOM 0 HD13 LEU A 36 2.150 12.365 -4.009 1.00 10.00 H new ATOM 0 HD21 LEU A 36 1.446 11.167 -1.215 1.00 10.00 H new ATOM 0 HD22 LEU A 36 1.669 12.914 -1.464 1.00 10.00 H new ATOM 0 HD23 LEU A 36 0.150 12.302 -0.768 1.00 10.00 H new ATOM 536 N SER A 37 -4.003 12.390 -3.235 1.00 10.00 N ATOM 537 CA SER A 37 -4.952 11.396 -3.704 1.00 10.00 C ATOM 538 C SER A 37 -5.301 11.655 -5.171 1.00 10.00 C ATOM 539 O SER A 37 -5.107 12.761 -5.672 1.00 10.00 O ATOM 540 CB SER A 37 -6.221 11.399 -2.848 1.00 10.00 C ATOM 541 OG SER A 37 -6.140 10.473 -1.768 1.00 10.00 O ATOM 0 H SER A 37 -4.421 13.178 -2.740 1.00 10.00 H new ATOM 0 HA SER A 37 -4.489 10.413 -3.616 1.00 10.00 H new ATOM 0 HB2 SER A 37 -6.390 12.401 -2.454 1.00 10.00 H new ATOM 0 HB3 SER A 37 -7.080 11.153 -3.472 1.00 10.00 H new ATOM 0 HG SER A 37 -6.578 10.853 -0.978 1.00 10.00 H new ATOM 547 N PRO A 38 -5.825 10.590 -5.834 1.00 10.00 N ATOM 548 CA PRO A 38 -6.022 9.315 -5.166 1.00 10.00 C ATOM 549 C PRO A 38 -4.691 8.586 -4.973 1.00 10.00 C ATOM 550 O PRO A 38 -3.628 9.145 -5.237 1.00 10.00 O ATOM 551 CB PRO A 38 -6.994 8.553 -6.051 1.00 10.00 C ATOM 552 CG PRO A 38 -6.943 9.234 -7.409 1.00 10.00 C ATOM 553 CD PRO A 38 -6.240 10.570 -7.234 1.00 10.00 C ATOM 0 HA PRO A 38 -6.424 9.425 -4.159 1.00 10.00 H new ATOM 0 HB2 PRO A 38 -6.710 7.504 -6.129 1.00 10.00 H new ATOM 0 HB3 PRO A 38 -8.002 8.581 -5.638 1.00 10.00 H new ATOM 0 HG2 PRO A 38 -6.409 8.613 -8.128 1.00 10.00 H new ATOM 0 HG3 PRO A 38 -7.950 9.381 -7.801 1.00 10.00 H new ATOM 0 HD2 PRO A 38 -5.383 10.657 -7.902 1.00 10.00 H new ATOM 0 HD3 PRO A 38 -6.907 11.401 -7.461 1.00 10.00 H new ATOM 561 N HIS A 39 -4.794 7.347 -4.511 1.00 10.00 N ATOM 562 CA HIS A 39 -3.612 6.535 -4.279 1.00 10.00 C ATOM 563 C HIS A 39 -3.983 5.053 -4.355 1.00 10.00 C ATOM 564 O HIS A 39 -4.468 4.481 -3.380 1.00 10.00 O ATOM 565 CB HIS A 39 -2.945 6.913 -2.954 1.00 10.00 C ATOM 566 CG HIS A 39 -1.631 7.639 -3.113 1.00 10.00 C ATOM 567 ND1 HIS A 39 -0.898 7.617 -4.287 1.00 10.00 N ATOM 568 CD2 HIS A 39 -0.926 8.410 -2.234 1.00 10.00 C ATOM 569 CE1 HIS A 39 0.196 8.342 -4.111 1.00 10.00 C ATOM 570 NE2 HIS A 39 0.176 8.833 -2.839 1.00 10.00 N ATOM 0 H HIS A 39 -5.678 6.887 -4.292 1.00 10.00 H new ATOM 0 HA HIS A 39 -2.875 6.729 -5.058 1.00 10.00 H new ATOM 0 HB2 HIS A 39 -3.628 7.540 -2.381 1.00 10.00 H new ATOM 0 HB3 HIS A 39 -2.780 6.007 -2.371 1.00 10.00 H new ATOM 0 HD2 HIS A 39 -1.216 8.637 -1.219 1.00 10.00 H new ATOM 0 HE1 HIS A 39 0.968 8.514 -4.846 1.00 10.00 H new ATOM 0 HE2 HIS A 39 0.891 9.428 -2.421 1.00 10.00 H new ATOM 578 N ASN A 40 -3.743 4.475 -5.522 1.00 10.00 N ATOM 579 CA ASN A 40 -4.046 3.070 -5.737 1.00 10.00 C ATOM 580 C ASN A 40 -2.800 2.232 -5.447 1.00 10.00 C ATOM 581 O ASN A 40 -1.679 2.675 -5.694 1.00 10.00 O ATOM 582 CB ASN A 40 -4.463 2.813 -7.187 1.00 10.00 C ATOM 583 CG ASN A 40 -5.728 3.596 -7.543 1.00 10.00 C ATOM 584 OD1 ASN A 40 -6.832 3.080 -7.531 1.00 10.00 O ATOM 585 ND2 ASN A 40 -5.505 4.870 -7.858 1.00 10.00 N ATOM 0 H ASN A 40 -3.342 4.953 -6.329 1.00 10.00 H new ATOM 0 HA ASN A 40 -4.865 2.796 -5.072 1.00 10.00 H new ATOM 0 HB2 ASN A 40 -3.653 3.100 -7.858 1.00 10.00 H new ATOM 0 HB3 ASN A 40 -4.637 1.747 -7.335 1.00 10.00 H new ATOM 0 HD21 ASN A 40 -6.285 5.477 -8.109 1.00 10.00 H new ATOM 0 HD22 ASN A 40 -4.554 5.239 -7.848 1.00 10.00 H new ATOM 592 N ILE A 41 -3.037 1.038 -4.926 1.00 10.00 N ATOM 593 CA ILE A 41 -1.947 0.134 -4.600 1.00 10.00 C ATOM 594 C ILE A 41 -2.155 -1.194 -5.331 1.00 10.00 C ATOM 595 O ILE A 41 -2.646 -2.158 -4.745 1.00 10.00 O ATOM 596 CB ILE A 41 -1.810 -0.013 -3.083 1.00 10.00 C ATOM 597 CG1 ILE A 41 -1.940 1.342 -2.386 1.00 10.00 C ATOM 598 CG2 ILE A 41 -0.504 -0.722 -2.718 1.00 10.00 C ATOM 599 CD1 ILE A 41 -2.927 1.266 -1.219 1.00 10.00 C ATOM 0 H ILE A 41 -3.968 0.675 -4.721 1.00 10.00 H new ATOM 0 HA ILE A 41 -0.997 0.542 -4.945 1.00 10.00 H new ATOM 0 HB ILE A 41 -2.628 -0.638 -2.725 1.00 10.00 H new ATOM 0 HG12 ILE A 41 -0.964 1.662 -2.021 1.00 10.00 H new ATOM 0 HG13 ILE A 41 -2.275 2.093 -3.102 1.00 10.00 H new ATOM 0 HG21 ILE A 41 -0.431 -0.814 -1.634 1.00 10.00 H new ATOM 0 HG22 ILE A 41 -0.491 -1.715 -3.168 1.00 10.00 H new ATOM 0 HG23 ILE A 41 0.341 -0.143 -3.091 1.00 10.00 H new ATOM 0 HD11 ILE A 41 -3.001 2.243 -0.741 1.00 10.00 H new ATOM 0 HD12 ILE A 41 -3.908 0.969 -1.591 1.00 10.00 H new ATOM 0 HD13 ILE A 41 -2.576 0.532 -0.493 1.00 10.00 H new ATOM 611 N VAL A 42 -1.771 -1.202 -6.599 1.00 10.00 N ATOM 612 CA VAL A 42 -1.909 -2.396 -7.415 1.00 10.00 C ATOM 613 C VAL A 42 -0.670 -3.275 -7.239 1.00 10.00 C ATOM 614 O VAL A 42 0.429 -2.769 -7.023 1.00 10.00 O ATOM 615 CB VAL A 42 -2.163 -2.005 -8.872 1.00 10.00 C ATOM 616 CG1 VAL A 42 -2.376 -3.247 -9.743 1.00 10.00 C ATOM 617 CG2 VAL A 42 -3.349 -1.046 -8.985 1.00 10.00 C ATOM 0 H VAL A 42 -1.364 -0.400 -7.081 1.00 10.00 H new ATOM 0 HA VAL A 42 -2.770 -2.982 -7.094 1.00 10.00 H new ATOM 0 HB VAL A 42 -1.278 -1.485 -9.239 1.00 10.00 H new ATOM 0 HG11 VAL A 42 -2.555 -2.942 -10.774 1.00 10.00 H new ATOM 0 HG12 VAL A 42 -1.488 -3.878 -9.700 1.00 10.00 H new ATOM 0 HG13 VAL A 42 -3.237 -3.806 -9.376 1.00 10.00 H new ATOM 0 HG21 VAL A 42 -3.507 -0.785 -10.031 1.00 10.00 H new ATOM 0 HG22 VAL A 42 -4.245 -1.527 -8.592 1.00 10.00 H new ATOM 0 HG23 VAL A 42 -3.142 -0.142 -8.412 1.00 10.00 H new ATOM 627 N PHE A 43 -0.890 -4.578 -7.335 1.00 10.00 N ATOM 628 CA PHE A 43 0.195 -5.533 -7.189 1.00 10.00 C ATOM 629 C PHE A 43 0.274 -6.464 -8.400 1.00 10.00 C ATOM 630 O PHE A 43 -0.738 -7.021 -8.826 1.00 10.00 O ATOM 631 CB PHE A 43 -0.106 -6.364 -5.940 1.00 10.00 C ATOM 632 CG PHE A 43 -0.018 -5.576 -4.631 1.00 10.00 C ATOM 633 CD1 PHE A 43 -0.823 -4.498 -4.432 1.00 10.00 C ATOM 634 CD2 PHE A 43 0.865 -5.953 -3.669 1.00 10.00 C ATOM 635 CE1 PHE A 43 -0.743 -3.766 -3.218 1.00 10.00 C ATOM 636 CE2 PHE A 43 0.945 -5.221 -2.454 1.00 10.00 C ATOM 637 CZ PHE A 43 0.141 -4.143 -2.255 1.00 10.00 C ATOM 0 H PHE A 43 -1.804 -4.995 -7.512 1.00 10.00 H new ATOM 0 HA PHE A 43 1.146 -5.006 -7.108 1.00 10.00 H new ATOM 0 HB2 PHE A 43 -1.106 -6.787 -6.030 1.00 10.00 H new ATOM 0 HB3 PHE A 43 0.592 -7.200 -5.896 1.00 10.00 H new ATOM 0 HD1 PHE A 43 -1.523 -4.199 -5.198 1.00 10.00 H new ATOM 0 HD2 PHE A 43 1.505 -6.808 -3.828 1.00 10.00 H new ATOM 0 HE1 PHE A 43 -1.383 -2.911 -3.059 1.00 10.00 H new ATOM 0 HE2 PHE A 43 1.645 -5.521 -1.688 1.00 10.00 H new ATOM 0 HZ PHE A 43 0.204 -3.586 -1.332 1.00 10.00 H new ATOM 647 N ALA A 44 1.483 -6.605 -8.921 1.00 10.00 N ATOM 648 CA ALA A 44 1.706 -7.459 -10.076 1.00 10.00 C ATOM 649 C ALA A 44 1.817 -8.914 -9.614 1.00 10.00 C ATOM 650 O ALA A 44 2.083 -9.178 -8.442 1.00 10.00 O ATOM 651 CB ALA A 44 2.954 -6.988 -10.825 1.00 10.00 C ATOM 0 H ALA A 44 2.319 -6.142 -8.565 1.00 10.00 H new ATOM 0 HA ALA A 44 0.867 -7.396 -10.769 1.00 10.00 H new ATOM 0 HB1 ALA A 44 3.122 -7.628 -11.691 1.00 10.00 H new ATOM 0 HB2 ALA A 44 2.813 -5.959 -11.156 1.00 10.00 H new ATOM 0 HB3 ALA A 44 3.818 -7.041 -10.162 1.00 10.00 H new ATOM 657 N ALA A 45 1.611 -9.818 -10.559 1.00 10.00 N ATOM 658 CA ALA A 45 1.685 -11.239 -10.265 1.00 10.00 C ATOM 659 C ALA A 45 2.765 -11.882 -11.137 1.00 10.00 C ATOM 660 O ALA A 45 2.456 -12.561 -12.114 1.00 10.00 O ATOM 661 CB ALA A 45 0.309 -11.877 -10.475 1.00 10.00 C ATOM 0 H ALA A 45 1.393 -9.594 -11.530 1.00 10.00 H new ATOM 0 HA ALA A 45 1.964 -11.400 -9.224 1.00 10.00 H new ATOM 0 HB1 ALA A 45 0.365 -12.943 -10.254 1.00 10.00 H new ATOM 0 HB2 ALA A 45 -0.416 -11.406 -9.810 1.00 10.00 H new ATOM 0 HB3 ALA A 45 -0.003 -11.736 -11.510 1.00 10.00 H new ATOM 667 N ASP A 46 4.010 -11.643 -10.751 1.00 10.00 N ATOM 668 CA ASP A 46 5.138 -12.189 -11.487 1.00 10.00 C ATOM 669 C ASP A 46 5.590 -13.492 -10.824 1.00 10.00 C ATOM 670 O ASP A 46 5.385 -14.575 -11.370 1.00 10.00 O ATOM 671 CB ASP A 46 6.322 -11.220 -11.480 1.00 10.00 C ATOM 672 CG ASP A 46 6.519 -10.431 -12.775 1.00 10.00 C ATOM 673 OD1 ASP A 46 6.205 -11.002 -13.841 1.00 10.00 O ATOM 674 OD2 ASP A 46 6.979 -9.274 -12.671 1.00 10.00 O ATOM 0 H ASP A 46 4.262 -11.079 -9.939 1.00 10.00 H new ATOM 0 HA ASP A 46 4.819 -12.361 -12.515 1.00 10.00 H new ATOM 0 HB2 ASP A 46 6.190 -10.515 -10.659 1.00 10.00 H new ATOM 0 HB3 ASP A 46 7.232 -11.783 -11.273 1.00 10.00 H new ATOM 679 N GLY A 47 6.198 -13.345 -9.655 1.00 10.00 N ATOM 680 CA GLY A 47 6.681 -14.496 -8.912 1.00 10.00 C ATOM 681 C GLY A 47 5.641 -14.966 -7.894 1.00 10.00 C ATOM 682 O GLY A 47 5.957 -15.739 -6.990 1.00 10.00 O ATOM 0 H GLY A 47 6.367 -12.446 -9.205 1.00 10.00 H new ATOM 0 HA2 GLY A 47 6.913 -15.308 -9.602 1.00 10.00 H new ATOM 0 HA3 GLY A 47 7.608 -14.239 -8.399 1.00 10.00 H new ATOM 686 N VAL A 48 4.423 -14.480 -8.073 1.00 10.00 N ATOM 687 CA VAL A 48 3.333 -14.842 -7.181 1.00 10.00 C ATOM 688 C VAL A 48 2.111 -15.241 -8.009 1.00 10.00 C ATOM 689 O VAL A 48 1.957 -14.799 -9.147 1.00 10.00 O ATOM 690 CB VAL A 48 3.049 -13.693 -6.210 1.00 10.00 C ATOM 691 CG1 VAL A 48 2.327 -14.198 -4.961 1.00 10.00 C ATOM 692 CG2 VAL A 48 4.338 -12.956 -5.840 1.00 10.00 C ATOM 0 H VAL A 48 4.165 -13.838 -8.823 1.00 10.00 H new ATOM 0 HA VAL A 48 3.608 -15.704 -6.573 1.00 10.00 H new ATOM 0 HB VAL A 48 2.391 -12.984 -6.713 1.00 10.00 H new ATOM 0 HG11 VAL A 48 2.137 -13.362 -4.288 1.00 10.00 H new ATOM 0 HG12 VAL A 48 1.380 -14.655 -5.248 1.00 10.00 H new ATOM 0 HG13 VAL A 48 2.948 -14.937 -4.455 1.00 10.00 H new ATOM 0 HG21 VAL A 48 4.108 -12.145 -5.149 1.00 10.00 H new ATOM 0 HG22 VAL A 48 5.031 -13.651 -5.366 1.00 10.00 H new ATOM 0 HG23 VAL A 48 4.795 -12.547 -6.741 1.00 10.00 H new ATOM 702 N ASP A 49 1.273 -16.072 -7.407 1.00 10.00 N ATOM 703 CA ASP A 49 0.069 -16.536 -8.076 1.00 10.00 C ATOM 704 C ASP A 49 -0.768 -15.327 -8.505 1.00 10.00 C ATOM 705 O ASP A 49 -0.562 -14.220 -8.013 1.00 10.00 O ATOM 706 CB ASP A 49 -0.785 -17.394 -7.141 1.00 10.00 C ATOM 707 CG ASP A 49 0.003 -18.353 -6.245 1.00 10.00 C ATOM 708 OD1 ASP A 49 0.423 -19.405 -6.772 1.00 10.00 O ATOM 709 OD2 ASP A 49 0.166 -18.013 -5.054 1.00 10.00 O ATOM 0 H ASP A 49 1.404 -16.436 -6.463 1.00 10.00 H new ATOM 0 HA ASP A 49 0.370 -17.132 -8.938 1.00 10.00 H new ATOM 0 HB2 ASP A 49 -1.379 -16.735 -6.508 1.00 10.00 H new ATOM 0 HB3 ASP A 49 -1.485 -17.974 -7.742 1.00 10.00 H new ATOM 714 N ALA A 50 -1.693 -15.585 -9.418 1.00 10.00 N ATOM 715 CA ALA A 50 -2.562 -14.534 -9.918 1.00 10.00 C ATOM 716 C ALA A 50 -3.654 -14.246 -8.887 1.00 10.00 C ATOM 717 O ALA A 50 -3.936 -13.088 -8.580 1.00 10.00 O ATOM 718 CB ALA A 50 -3.136 -14.948 -11.275 1.00 10.00 C ATOM 0 H ALA A 50 -1.859 -16.506 -9.824 1.00 10.00 H new ATOM 0 HA ALA A 50 -2.000 -13.612 -10.069 1.00 10.00 H new ATOM 0 HB1 ALA A 50 -3.788 -14.159 -11.650 1.00 10.00 H new ATOM 0 HB2 ALA A 50 -2.321 -15.111 -11.980 1.00 10.00 H new ATOM 0 HB3 ALA A 50 -3.708 -15.869 -11.162 1.00 10.00 H new ATOM 724 N ASP A 51 -4.242 -15.320 -8.380 1.00 10.00 N ATOM 725 CA ASP A 51 -5.298 -15.198 -7.390 1.00 10.00 C ATOM 726 C ASP A 51 -4.747 -14.499 -6.146 1.00 10.00 C ATOM 727 O ASP A 51 -5.380 -13.594 -5.605 1.00 10.00 O ATOM 728 CB ASP A 51 -5.820 -16.573 -6.967 1.00 10.00 C ATOM 729 CG ASP A 51 -7.284 -16.845 -7.315 1.00 10.00 C ATOM 730 OD1 ASP A 51 -8.107 -15.941 -7.055 1.00 10.00 O ATOM 731 OD2 ASP A 51 -7.548 -17.951 -7.835 1.00 10.00 O ATOM 0 H ASP A 51 -4.007 -16.279 -8.637 1.00 10.00 H new ATOM 0 HA ASP A 51 -6.111 -14.625 -7.835 1.00 10.00 H new ATOM 0 HB2 ASP A 51 -5.203 -17.339 -7.436 1.00 10.00 H new ATOM 0 HB3 ASP A 51 -5.693 -16.677 -5.889 1.00 10.00 H new ATOM 736 N THR A 52 -3.571 -14.945 -5.727 1.00 10.00 N ATOM 737 CA THR A 52 -2.927 -14.375 -4.557 1.00 10.00 C ATOM 738 C THR A 52 -2.642 -12.888 -4.778 1.00 10.00 C ATOM 739 O THR A 52 -3.183 -12.037 -4.072 1.00 10.00 O ATOM 740 CB THR A 52 -1.671 -15.196 -4.260 1.00 10.00 C ATOM 741 OG1 THR A 52 -2.174 -16.467 -3.858 1.00 10.00 O ATOM 742 CG2 THR A 52 -0.916 -14.688 -3.030 1.00 10.00 C ATOM 0 H THR A 52 -3.048 -15.695 -6.178 1.00 10.00 H new ATOM 0 HA THR A 52 -3.578 -14.424 -3.684 1.00 10.00 H new ATOM 0 HB THR A 52 -1.010 -15.173 -5.126 1.00 10.00 H new ATOM 0 HG1 THR A 52 -1.557 -17.170 -4.149 1.00 10.00 H new ATOM 0 HG21 THR A 52 -0.033 -15.306 -2.864 1.00 10.00 H new ATOM 0 HG22 THR A 52 -0.610 -13.654 -3.192 1.00 10.00 H new ATOM 0 HG23 THR A 52 -1.566 -14.742 -2.156 1.00 10.00 H new ATOM 750 N ALA A 53 -1.795 -12.619 -5.759 1.00 10.00 N ATOM 751 CA ALA A 53 -1.431 -11.250 -6.082 1.00 10.00 C ATOM 752 C ALA A 53 -2.704 -10.411 -6.234 1.00 10.00 C ATOM 753 O ALA A 53 -2.738 -9.252 -5.827 1.00 10.00 O ATOM 754 CB ALA A 53 -0.568 -11.233 -7.346 1.00 10.00 C ATOM 0 H ALA A 53 -1.349 -13.327 -6.342 1.00 10.00 H new ATOM 0 HA ALA A 53 -0.839 -10.811 -5.279 1.00 10.00 H new ATOM 0 HB1 ALA A 53 -0.296 -10.205 -7.587 1.00 10.00 H new ATOM 0 HB2 ALA A 53 0.336 -11.818 -7.177 1.00 10.00 H new ATOM 0 HB3 ALA A 53 -1.129 -11.664 -8.175 1.00 10.00 H new ATOM 760 N ALA A 54 -3.716 -11.033 -6.820 1.00 10.00 N ATOM 761 CA ALA A 54 -4.986 -10.359 -7.031 1.00 10.00 C ATOM 762 C ALA A 54 -5.499 -9.817 -5.695 1.00 10.00 C ATOM 763 O ALA A 54 -5.833 -8.639 -5.586 1.00 10.00 O ATOM 764 CB ALA A 54 -5.975 -11.326 -7.686 1.00 10.00 C ATOM 0 H ALA A 54 -3.683 -11.996 -7.155 1.00 10.00 H new ATOM 0 HA ALA A 54 -4.863 -9.512 -7.706 1.00 10.00 H new ATOM 0 HB1 ALA A 54 -6.928 -10.820 -7.844 1.00 10.00 H new ATOM 0 HB2 ALA A 54 -5.577 -11.659 -8.645 1.00 10.00 H new ATOM 0 HB3 ALA A 54 -6.125 -12.188 -7.036 1.00 10.00 H new ATOM 770 N LYS A 55 -5.544 -10.704 -4.711 1.00 10.00 N ATOM 771 CA LYS A 55 -6.010 -10.330 -3.388 1.00 10.00 C ATOM 772 C LYS A 55 -5.152 -9.179 -2.856 1.00 10.00 C ATOM 773 O LYS A 55 -5.678 -8.140 -2.457 1.00 10.00 O ATOM 774 CB LYS A 55 -6.043 -11.550 -2.465 1.00 10.00 C ATOM 775 CG LYS A 55 -6.590 -11.181 -1.086 1.00 10.00 C ATOM 776 CD LYS A 55 -6.091 -12.156 -0.018 1.00 10.00 C ATOM 777 CE LYS A 55 -6.849 -13.483 -0.090 1.00 10.00 C ATOM 778 NZ LYS A 55 -5.923 -14.592 -0.412 1.00 10.00 N ATOM 0 H LYS A 55 -5.265 -11.681 -4.805 1.00 10.00 H new ATOM 0 HA LYS A 55 -7.037 -9.968 -3.435 1.00 10.00 H new ATOM 0 HB2 LYS A 55 -6.662 -12.329 -2.909 1.00 10.00 H new ATOM 0 HB3 LYS A 55 -5.038 -11.961 -2.363 1.00 10.00 H new ATOM 0 HG2 LYS A 55 -6.284 -10.167 -0.829 1.00 10.00 H new ATOM 0 HG3 LYS A 55 -7.680 -11.189 -1.109 1.00 10.00 H new ATOM 0 HD2 LYS A 55 -5.024 -12.335 -0.153 1.00 10.00 H new ATOM 0 HD3 LYS A 55 -6.217 -11.714 0.970 1.00 10.00 H new ATOM 0 HE2 LYS A 55 -7.343 -13.679 0.862 1.00 10.00 H new ATOM 0 HE3 LYS A 55 -7.630 -13.422 -0.848 1.00 10.00 H new ATOM 0 HZ1 LYS A 55 -6.454 -15.485 -0.457 1.00 10.00 H new ATOM 0 HZ2 LYS A 55 -5.471 -14.411 -1.331 1.00 10.00 H new ATOM 0 HZ3 LYS A 55 -5.193 -14.660 0.326 1.00 10.00 H new ATOM 792 N LEU A 56 -3.846 -9.405 -2.865 1.00 10.00 N ATOM 793 CA LEU A 56 -2.911 -8.400 -2.389 1.00 10.00 C ATOM 794 C LEU A 56 -2.980 -7.172 -3.298 1.00 10.00 C ATOM 795 O LEU A 56 -2.489 -6.103 -2.944 1.00 10.00 O ATOM 796 CB LEU A 56 -1.506 -8.994 -2.263 1.00 10.00 C ATOM 797 CG LEU A 56 -1.227 -9.795 -0.990 1.00 10.00 C ATOM 798 CD1 LEU A 56 -1.527 -11.280 -1.201 1.00 10.00 C ATOM 799 CD2 LEU A 56 0.201 -9.560 -0.496 1.00 10.00 C ATOM 0 H LEU A 56 -3.414 -10.268 -3.194 1.00 10.00 H new ATOM 0 HA LEU A 56 -3.185 -8.070 -1.387 1.00 10.00 H new ATOM 0 HB2 LEU A 56 -1.329 -9.641 -3.122 1.00 10.00 H new ATOM 0 HB3 LEU A 56 -0.783 -8.181 -2.322 1.00 10.00 H new ATOM 0 HG LEU A 56 -1.898 -9.440 -0.208 1.00 10.00 H new ATOM 0 HD11 LEU A 56 -1.320 -11.827 -0.281 1.00 10.00 H new ATOM 0 HD12 LEU A 56 -2.576 -11.405 -1.470 1.00 10.00 H new ATOM 0 HD13 LEU A 56 -0.899 -11.668 -2.003 1.00 10.00 H new ATOM 0 HD21 LEU A 56 0.373 -10.141 0.410 1.00 10.00 H new ATOM 0 HD22 LEU A 56 0.908 -9.870 -1.266 1.00 10.00 H new ATOM 0 HD23 LEU A 56 0.342 -8.501 -0.280 1.00 10.00 H new ATOM 811 N SER A 57 -3.596 -7.367 -4.456 1.00 10.00 N ATOM 812 CA SER A 57 -3.736 -6.288 -5.420 1.00 10.00 C ATOM 813 C SER A 57 -4.996 -5.475 -5.116 1.00 10.00 C ATOM 814 O SER A 57 -6.111 -5.977 -5.255 1.00 10.00 O ATOM 815 CB SER A 57 -3.785 -6.830 -6.850 1.00 10.00 C ATOM 816 OG SER A 57 -4.564 -6.001 -7.708 1.00 10.00 O ATOM 0 H SER A 57 -4.003 -8.255 -4.748 1.00 10.00 H new ATOM 0 HA SER A 57 -2.864 -5.639 -5.336 1.00 10.00 H new ATOM 0 HB2 SER A 57 -2.771 -6.908 -7.243 1.00 10.00 H new ATOM 0 HB3 SER A 57 -4.202 -7.837 -6.842 1.00 10.00 H new ATOM 0 HG SER A 57 -4.570 -6.380 -8.612 1.00 10.00 H new ATOM 822 N HIS A 58 -4.777 -4.235 -4.707 1.00 10.00 N ATOM 823 CA HIS A 58 -5.882 -3.348 -4.382 1.00 10.00 C ATOM 824 C HIS A 58 -6.457 -2.752 -5.669 1.00 10.00 C ATOM 825 O HIS A 58 -5.859 -1.854 -6.263 1.00 10.00 O ATOM 826 CB HIS A 58 -5.444 -2.281 -3.378 1.00 10.00 C ATOM 827 CG HIS A 58 -4.780 -2.837 -2.141 1.00 10.00 C ATOM 828 ND1 HIS A 58 -5.261 -2.606 -0.863 1.00 10.00 N ATOM 829 CD2 HIS A 58 -3.670 -3.615 -1.999 1.00 10.00 C ATOM 830 CE1 HIS A 58 -4.467 -3.222 0.000 1.00 10.00 C ATOM 831 NE2 HIS A 58 -3.480 -3.847 -0.706 1.00 10.00 N ATOM 0 H HIS A 58 -3.851 -3.823 -4.593 1.00 10.00 H new ATOM 0 HA HIS A 58 -6.678 -3.914 -3.898 1.00 10.00 H new ATOM 0 HB2 HIS A 58 -4.755 -1.595 -3.870 1.00 10.00 H new ATOM 0 HB3 HIS A 58 -6.315 -1.698 -3.079 1.00 10.00 H new ATOM 0 HD2 HIS A 58 -3.049 -3.981 -2.803 1.00 10.00 H new ATOM 0 HE1 HIS A 58 -4.581 -3.229 1.074 1.00 10.00 H new ATOM 0 HE2 HIS A 58 -2.722 -4.400 -0.306 1.00 10.00 H new ATOM 839 N LYS A 59 -7.609 -3.274 -6.063 1.00 10.00 N ATOM 840 CA LYS A 59 -8.270 -2.803 -7.268 1.00 10.00 C ATOM 841 C LYS A 59 -9.402 -1.849 -6.884 1.00 10.00 C ATOM 842 O LYS A 59 -10.446 -1.825 -7.533 1.00 10.00 O ATOM 843 CB LYS A 59 -8.727 -3.987 -8.124 1.00 10.00 C ATOM 844 CG LYS A 59 -7.716 -4.284 -9.233 1.00 10.00 C ATOM 845 CD LYS A 59 -7.396 -5.780 -9.297 1.00 10.00 C ATOM 846 CE LYS A 59 -6.902 -6.176 -10.688 1.00 10.00 C ATOM 847 NZ LYS A 59 -7.721 -7.281 -11.234 1.00 10.00 N ATOM 0 H LYS A 59 -8.101 -4.018 -5.569 1.00 10.00 H new ATOM 0 HA LYS A 59 -7.575 -2.238 -7.889 1.00 10.00 H new ATOM 0 HB2 LYS A 59 -8.852 -4.868 -7.495 1.00 10.00 H new ATOM 0 HB3 LYS A 59 -9.700 -3.769 -8.563 1.00 10.00 H new ATOM 0 HG2 LYS A 59 -8.115 -3.952 -10.192 1.00 10.00 H new ATOM 0 HG3 LYS A 59 -6.800 -3.720 -9.056 1.00 10.00 H new ATOM 0 HD2 LYS A 59 -6.637 -6.025 -8.554 1.00 10.00 H new ATOM 0 HD3 LYS A 59 -8.286 -6.357 -9.045 1.00 10.00 H new ATOM 0 HE2 LYS A 59 -6.950 -5.316 -11.356 1.00 10.00 H new ATOM 0 HE3 LYS A 59 -5.857 -6.481 -10.636 1.00 10.00 H new ATOM 0 HZ1 LYS A 59 -7.372 -7.538 -12.179 1.00 10.00 H new ATOM 0 HZ2 LYS A 59 -7.654 -8.106 -10.605 1.00 10.00 H new ATOM 0 HZ3 LYS A 59 -8.713 -6.977 -11.302 1.00 10.00 H new ATOM 861 N GLY A 60 -9.156 -1.083 -5.832 1.00 10.00 N ATOM 862 CA GLY A 60 -10.140 -0.128 -5.353 1.00 10.00 C ATOM 863 C GLY A 60 -9.748 1.301 -5.732 1.00 10.00 C ATOM 864 O GLY A 60 -9.177 1.531 -6.798 1.00 10.00 O ATOM 0 H GLY A 60 -8.288 -1.104 -5.297 1.00 10.00 H new ATOM 0 HA2 GLY A 60 -11.117 -0.365 -5.775 1.00 10.00 H new ATOM 0 HA3 GLY A 60 -10.232 -0.208 -4.270 1.00 10.00 H new ATOM 868 N LEU A 61 -10.069 2.225 -4.839 1.00 10.00 N ATOM 869 CA LEU A 61 -9.757 3.626 -5.066 1.00 10.00 C ATOM 870 C LEU A 61 -9.821 4.381 -3.737 1.00 10.00 C ATOM 871 O LEU A 61 -10.837 4.342 -3.046 1.00 10.00 O ATOM 872 CB LEU A 61 -10.668 4.210 -6.148 1.00 10.00 C ATOM 873 CG LEU A 61 -10.053 5.302 -7.026 1.00 10.00 C ATOM 874 CD1 LEU A 61 -8.826 4.776 -7.776 1.00 10.00 C ATOM 875 CD2 LEU A 61 -11.095 5.892 -7.978 1.00 10.00 C ATOM 0 H LEU A 61 -10.542 2.031 -3.956 1.00 10.00 H new ATOM 0 HA LEU A 61 -8.741 3.732 -5.445 1.00 10.00 H new ATOM 0 HB2 LEU A 61 -11.000 3.397 -6.793 1.00 10.00 H new ATOM 0 HB3 LEU A 61 -11.557 4.617 -5.666 1.00 10.00 H new ATOM 0 HG LEU A 61 -9.714 6.110 -6.378 1.00 10.00 H new ATOM 0 HD11 LEU A 61 -8.408 5.572 -8.393 1.00 10.00 H new ATOM 0 HD12 LEU A 61 -8.077 4.441 -7.058 1.00 10.00 H new ATOM 0 HD13 LEU A 61 -9.119 3.940 -8.411 1.00 10.00 H new ATOM 0 HD21 LEU A 61 -10.632 6.666 -8.590 1.00 10.00 H new ATOM 0 HD22 LEU A 61 -11.486 5.105 -8.623 1.00 10.00 H new ATOM 0 HD23 LEU A 61 -11.911 6.327 -7.400 1.00 10.00 H new ATOM 887 N ALA A 62 -8.721 5.049 -3.419 1.00 10.00 N ATOM 888 CA ALA A 62 -8.639 5.811 -2.184 1.00 10.00 C ATOM 889 C ALA A 62 -8.629 7.306 -2.514 1.00 10.00 C ATOM 890 O ALA A 62 -8.276 7.699 -3.624 1.00 10.00 O ATOM 891 CB ALA A 62 -7.401 5.379 -1.399 1.00 10.00 C ATOM 0 H ALA A 62 -7.880 5.078 -3.995 1.00 10.00 H new ATOM 0 HA ALA A 62 -9.507 5.617 -1.554 1.00 10.00 H new ATOM 0 HB1 ALA A 62 -7.340 5.951 -0.473 1.00 10.00 H new ATOM 0 HB2 ALA A 62 -7.470 4.317 -1.166 1.00 10.00 H new ATOM 0 HB3 ALA A 62 -6.509 5.561 -1.998 1.00 10.00 H new ATOM 897 N PHE A 63 -9.022 8.099 -1.527 1.00 10.00 N ATOM 898 CA PHE A 63 -9.063 9.541 -1.697 1.00 10.00 C ATOM 899 C PHE A 63 -8.928 10.256 -0.351 1.00 10.00 C ATOM 900 O PHE A 63 -8.158 11.206 -0.223 1.00 10.00 O ATOM 901 CB PHE A 63 -10.423 9.882 -2.308 1.00 10.00 C ATOM 902 CG PHE A 63 -10.518 9.606 -3.810 1.00 10.00 C ATOM 903 CD1 PHE A 63 -9.716 10.283 -4.677 1.00 10.00 C ATOM 904 CD2 PHE A 63 -11.401 8.685 -4.279 1.00 10.00 C ATOM 905 CE1 PHE A 63 -9.803 10.026 -6.071 1.00 10.00 C ATOM 906 CE2 PHE A 63 -11.489 8.429 -5.672 1.00 10.00 C ATOM 907 CZ PHE A 63 -10.688 9.106 -6.540 1.00 10.00 C ATOM 0 H PHE A 63 -9.315 7.769 -0.607 1.00 10.00 H new ATOM 0 HA PHE A 63 -8.239 9.863 -2.334 1.00 10.00 H new ATOM 0 HB2 PHE A 63 -11.195 9.309 -1.794 1.00 10.00 H new ATOM 0 HB3 PHE A 63 -10.636 10.936 -2.129 1.00 10.00 H new ATOM 0 HD1 PHE A 63 -9.014 11.015 -4.305 1.00 10.00 H new ATOM 0 HD2 PHE A 63 -12.036 8.147 -3.591 1.00 10.00 H new ATOM 0 HE1 PHE A 63 -9.166 10.562 -6.759 1.00 10.00 H new ATOM 0 HE2 PHE A 63 -12.191 7.697 -6.043 1.00 10.00 H new ATOM 0 HZ PHE A 63 -10.755 8.913 -7.600 1.00 10.00 H new ATOM 917 N ALA A 64 -9.689 9.771 0.618 1.00 10.00 N ATOM 918 CA ALA A 64 -9.664 10.352 1.951 1.00 10.00 C ATOM 919 C ALA A 64 -8.499 9.755 2.742 1.00 10.00 C ATOM 920 O ALA A 64 -8.211 8.565 2.626 1.00 10.00 O ATOM 921 CB ALA A 64 -11.013 10.117 2.634 1.00 10.00 C ATOM 0 H ALA A 64 -10.327 8.983 0.508 1.00 10.00 H new ATOM 0 HA ALA A 64 -9.507 11.429 1.897 1.00 10.00 H new ATOM 0 HB1 ALA A 64 -10.996 10.552 3.633 1.00 10.00 H new ATOM 0 HB2 ALA A 64 -11.804 10.585 2.048 1.00 10.00 H new ATOM 0 HB3 ALA A 64 -11.202 9.046 2.708 1.00 10.00 H new ATOM 927 N ALA A 65 -7.858 10.610 3.526 1.00 10.00 N ATOM 928 CA ALA A 65 -6.731 10.182 4.335 1.00 10.00 C ATOM 929 C ALA A 65 -7.245 9.593 5.649 1.00 10.00 C ATOM 930 O ALA A 65 -6.792 9.977 6.727 1.00 10.00 O ATOM 931 CB ALA A 65 -5.784 11.364 4.558 1.00 10.00 C ATOM 0 H ALA A 65 -8.098 11.597 3.618 1.00 10.00 H new ATOM 0 HA ALA A 65 -6.166 9.403 3.823 1.00 10.00 H new ATOM 0 HB1 ALA A 65 -4.938 11.043 5.165 1.00 10.00 H new ATOM 0 HB2 ALA A 65 -5.423 11.727 3.596 1.00 10.00 H new ATOM 0 HB3 ALA A 65 -6.316 12.165 5.072 1.00 10.00 H new ATOM 937 N GLY A 66 -8.186 8.668 5.519 1.00 10.00 N ATOM 938 CA GLY A 66 -8.768 8.022 6.683 1.00 10.00 C ATOM 939 C GLY A 66 -8.897 6.513 6.464 1.00 10.00 C ATOM 940 O GLY A 66 -8.589 5.724 7.357 1.00 10.00 O ATOM 0 H GLY A 66 -8.560 8.351 4.624 1.00 10.00 H new ATOM 0 HA2 GLY A 66 -8.148 8.215 7.559 1.00 10.00 H new ATOM 0 HA3 GLY A 66 -9.750 8.449 6.888 1.00 10.00 H new ATOM 944 N GLU A 67 -9.353 6.157 5.273 1.00 10.00 N ATOM 945 CA GLU A 67 -9.527 4.756 4.927 1.00 10.00 C ATOM 946 C GLU A 67 -8.175 4.116 4.607 1.00 10.00 C ATOM 947 O GLU A 67 -7.289 4.769 4.058 1.00 10.00 O ATOM 948 CB GLU A 67 -10.497 4.598 3.755 1.00 10.00 C ATOM 949 CG GLU A 67 -11.924 4.351 4.253 1.00 10.00 C ATOM 950 CD GLU A 67 -12.098 2.904 4.721 1.00 10.00 C ATOM 951 OE1 GLU A 67 -12.064 2.017 3.841 1.00 10.00 O ATOM 952 OE2 GLU A 67 -12.261 2.720 5.946 1.00 10.00 O ATOM 0 H GLU A 67 -9.607 6.814 4.535 1.00 10.00 H new ATOM 0 HA GLU A 67 -9.957 4.241 5.786 1.00 10.00 H new ATOM 0 HB2 GLU A 67 -10.474 5.495 3.136 1.00 10.00 H new ATOM 0 HB3 GLU A 67 -10.179 3.768 3.125 1.00 10.00 H new ATOM 0 HG2 GLU A 67 -12.150 5.032 5.073 1.00 10.00 H new ATOM 0 HG3 GLU A 67 -12.634 4.567 3.455 1.00 10.00 H new ATOM 959 N SER A 68 -8.058 2.846 4.967 1.00 10.00 N ATOM 960 CA SER A 68 -6.828 2.112 4.726 1.00 10.00 C ATOM 961 C SER A 68 -7.145 0.650 4.404 1.00 10.00 C ATOM 962 O SER A 68 -8.074 0.074 4.970 1.00 10.00 O ATOM 963 CB SER A 68 -5.890 2.196 5.932 1.00 10.00 C ATOM 964 OG SER A 68 -6.565 1.913 7.155 1.00 10.00 O ATOM 0 H SER A 68 -8.794 2.307 5.423 1.00 10.00 H new ATOM 0 HA SER A 68 -6.322 2.565 3.873 1.00 10.00 H new ATOM 0 HB2 SER A 68 -5.067 1.493 5.801 1.00 10.00 H new ATOM 0 HB3 SER A 68 -5.452 3.193 5.982 1.00 10.00 H new ATOM 0 HG SER A 68 -5.932 1.975 7.900 1.00 10.00 H new ATOM 970 N PHE A 69 -6.359 0.092 3.496 1.00 10.00 N ATOM 971 CA PHE A 69 -6.545 -1.291 3.091 1.00 10.00 C ATOM 972 C PHE A 69 -5.610 -2.221 3.868 1.00 10.00 C ATOM 973 O PHE A 69 -4.743 -1.758 4.607 1.00 10.00 O ATOM 974 CB PHE A 69 -6.203 -1.370 1.602 1.00 10.00 C ATOM 975 CG PHE A 69 -6.999 -0.399 0.728 1.00 10.00 C ATOM 976 CD1 PHE A 69 -8.359 -0.423 0.749 1.00 10.00 C ATOM 977 CD2 PHE A 69 -6.346 0.488 -0.070 1.00 10.00 C ATOM 978 CE1 PHE A 69 -9.096 0.479 -0.063 1.00 10.00 C ATOM 979 CE2 PHE A 69 -7.083 1.389 -0.881 1.00 10.00 C ATOM 980 CZ PHE A 69 -8.443 1.366 -0.861 1.00 10.00 C ATOM 0 H PHE A 69 -5.591 0.573 3.028 1.00 10.00 H new ATOM 0 HA PHE A 69 -7.570 -1.603 3.290 1.00 10.00 H new ATOM 0 HB2 PHE A 69 -5.139 -1.170 1.473 1.00 10.00 H new ATOM 0 HB3 PHE A 69 -6.381 -2.387 1.252 1.00 10.00 H new ATOM 0 HD1 PHE A 69 -8.878 -1.127 1.383 1.00 10.00 H new ATOM 0 HD2 PHE A 69 -5.266 0.506 -0.086 1.00 10.00 H new ATOM 0 HE1 PHE A 69 -10.176 0.461 -0.047 1.00 10.00 H new ATOM 0 HE2 PHE A 69 -6.564 2.093 -1.514 1.00 10.00 H new ATOM 0 HZ PHE A 69 -9.004 2.052 -1.479 1.00 10.00 H new ATOM 990 N THR A 70 -5.819 -3.514 3.673 1.00 10.00 N ATOM 991 CA THR A 70 -5.007 -4.513 4.346 1.00 10.00 C ATOM 992 C THR A 70 -4.799 -5.729 3.442 1.00 10.00 C ATOM 993 O THR A 70 -5.679 -6.081 2.657 1.00 10.00 O ATOM 994 CB THR A 70 -5.681 -4.853 5.677 1.00 10.00 C ATOM 995 OG1 THR A 70 -5.951 -3.583 6.264 1.00 10.00 O ATOM 996 CG2 THR A 70 -4.723 -5.523 6.665 1.00 10.00 C ATOM 0 H THR A 70 -6.539 -3.893 3.058 1.00 10.00 H new ATOM 0 HA THR A 70 -4.008 -4.132 4.559 1.00 10.00 H new ATOM 0 HB THR A 70 -6.532 -5.509 5.495 1.00 10.00 H new ATOM 0 HG1 THR A 70 -6.390 -3.710 7.131 1.00 10.00 H new ATOM 0 HG21 THR A 70 -5.252 -5.743 7.592 1.00 10.00 H new ATOM 0 HG22 THR A 70 -4.346 -6.450 6.234 1.00 10.00 H new ATOM 0 HG23 THR A 70 -3.888 -4.854 6.873 1.00 10.00 H new ATOM 1004 N SER A 71 -3.631 -6.338 3.582 1.00 10.00 N ATOM 1005 CA SER A 71 -3.296 -7.508 2.787 1.00 10.00 C ATOM 1006 C SER A 71 -2.463 -8.484 3.619 1.00 10.00 C ATOM 1007 O SER A 71 -1.424 -8.113 4.161 1.00 10.00 O ATOM 1008 CB SER A 71 -2.541 -7.114 1.517 1.00 10.00 C ATOM 1009 OG SER A 71 -1.150 -6.921 1.760 1.00 10.00 O ATOM 0 H SER A 71 -2.904 -6.043 4.234 1.00 10.00 H new ATOM 0 HA SER A 71 -4.224 -7.995 2.488 1.00 10.00 H new ATOM 0 HB2 SER A 71 -2.673 -7.889 0.762 1.00 10.00 H new ATOM 0 HB3 SER A 71 -2.969 -6.197 1.111 1.00 10.00 H new ATOM 0 HG SER A 71 -0.985 -5.983 1.992 1.00 10.00 H new ATOM 1015 N THR A 72 -2.950 -9.714 3.693 1.00 10.00 N ATOM 1016 CA THR A 72 -2.262 -10.748 4.449 1.00 10.00 C ATOM 1017 C THR A 72 -1.214 -11.440 3.575 1.00 10.00 C ATOM 1018 O THR A 72 -1.530 -11.932 2.493 1.00 10.00 O ATOM 1019 CB THR A 72 -3.316 -11.705 5.006 1.00 10.00 C ATOM 1020 OG1 THR A 72 -4.152 -10.874 5.809 1.00 10.00 O ATOM 1021 CG2 THR A 72 -2.728 -12.710 6.000 1.00 10.00 C ATOM 0 H THR A 72 -3.813 -10.018 3.242 1.00 10.00 H new ATOM 0 HA THR A 72 -1.710 -10.324 5.288 1.00 10.00 H new ATOM 0 HB THR A 72 -3.789 -12.241 4.183 1.00 10.00 H new ATOM 0 HG1 THR A 72 -3.840 -10.896 6.738 1.00 10.00 H new ATOM 0 HG21 THR A 72 -3.519 -13.366 6.365 1.00 10.00 H new ATOM 0 HG22 THR A 72 -1.962 -13.306 5.504 1.00 10.00 H new ATOM 0 HG23 THR A 72 -2.284 -12.175 6.839 1.00 10.00 H new ATOM 1029 N PHE A 73 0.011 -11.454 4.077 1.00 10.00 N ATOM 1030 CA PHE A 73 1.109 -12.079 3.356 1.00 10.00 C ATOM 1031 C PHE A 73 1.305 -13.528 3.804 1.00 10.00 C ATOM 1032 O PHE A 73 1.934 -13.785 4.830 1.00 10.00 O ATOM 1033 CB PHE A 73 2.371 -11.280 3.685 1.00 10.00 C ATOM 1034 CG PHE A 73 2.595 -10.068 2.776 1.00 10.00 C ATOM 1035 CD1 PHE A 73 1.538 -9.307 2.386 1.00 10.00 C ATOM 1036 CD2 PHE A 73 3.851 -9.754 2.361 1.00 10.00 C ATOM 1037 CE1 PHE A 73 1.746 -8.184 1.543 1.00 10.00 C ATOM 1038 CE2 PHE A 73 4.059 -8.629 1.518 1.00 10.00 C ATOM 1039 CZ PHE A 73 3.001 -7.868 1.127 1.00 10.00 C ATOM 0 H PHE A 73 0.269 -11.043 4.974 1.00 10.00 H new ATOM 0 HA PHE A 73 0.898 -12.084 2.287 1.00 10.00 H new ATOM 0 HB2 PHE A 73 2.314 -10.940 4.719 1.00 10.00 H new ATOM 0 HB3 PHE A 73 3.236 -11.940 3.613 1.00 10.00 H new ATOM 0 HD1 PHE A 73 0.541 -9.557 2.717 1.00 10.00 H new ATOM 0 HD2 PHE A 73 4.690 -10.359 2.672 1.00 10.00 H new ATOM 0 HE1 PHE A 73 0.906 -7.580 1.232 1.00 10.00 H new ATOM 0 HE2 PHE A 73 5.056 -8.378 1.188 1.00 10.00 H new ATOM 0 HZ PHE A 73 3.158 -7.013 0.486 1.00 10.00 H new ATOM 1049 N THR A 74 0.755 -14.439 3.014 1.00 10.00 N ATOM 1050 CA THR A 74 0.863 -15.856 3.317 1.00 10.00 C ATOM 1051 C THR A 74 2.072 -16.463 2.604 1.00 10.00 C ATOM 1052 O THR A 74 2.885 -17.146 3.225 1.00 10.00 O ATOM 1053 CB THR A 74 -0.463 -16.521 2.938 1.00 10.00 C ATOM 1054 OG1 THR A 74 -1.443 -15.525 3.219 1.00 10.00 O ATOM 1055 CG2 THR A 74 -0.825 -17.675 3.874 1.00 10.00 C ATOM 0 H THR A 74 0.233 -14.223 2.165 1.00 10.00 H new ATOM 0 HA THR A 74 1.036 -16.022 4.380 1.00 10.00 H new ATOM 0 HB THR A 74 -0.407 -16.888 1.913 1.00 10.00 H new ATOM 0 HG1 THR A 74 -2.333 -15.871 3.000 1.00 10.00 H new ATOM 0 HG21 THR A 74 -1.773 -18.113 3.562 1.00 10.00 H new ATOM 0 HG22 THR A 74 -0.044 -18.435 3.834 1.00 10.00 H new ATOM 0 HG23 THR A 74 -0.916 -17.301 4.894 1.00 10.00 H new ATOM 1063 N GLU A 75 2.155 -16.192 1.310 1.00 10.00 N ATOM 1064 CA GLU A 75 3.252 -16.703 0.506 1.00 10.00 C ATOM 1065 C GLU A 75 4.550 -15.974 0.857 1.00 10.00 C ATOM 1066 O GLU A 75 4.639 -14.756 0.721 1.00 10.00 O ATOM 1067 CB GLU A 75 2.940 -16.580 -0.988 1.00 10.00 C ATOM 1068 CG GLU A 75 3.372 -17.840 -1.741 1.00 10.00 C ATOM 1069 CD GLU A 75 4.576 -17.556 -2.641 1.00 10.00 C ATOM 1070 OE1 GLU A 75 5.566 -17.007 -2.108 1.00 10.00 O ATOM 1071 OE2 GLU A 75 4.481 -17.893 -3.841 1.00 10.00 O ATOM 0 H GLU A 75 1.480 -15.625 0.798 1.00 10.00 H new ATOM 0 HA GLU A 75 3.380 -17.762 0.731 1.00 10.00 H new ATOM 0 HB2 GLU A 75 1.872 -16.416 -1.128 1.00 10.00 H new ATOM 0 HB3 GLU A 75 3.453 -15.711 -1.400 1.00 10.00 H new ATOM 0 HG2 GLU A 75 3.624 -18.625 -1.028 1.00 10.00 H new ATOM 0 HG3 GLU A 75 2.542 -18.210 -2.344 1.00 10.00 H new ATOM 1078 N PRO A 76 5.552 -16.773 1.313 1.00 10.00 N ATOM 1079 CA PRO A 76 6.842 -16.219 1.684 1.00 10.00 C ATOM 1080 C PRO A 76 7.657 -15.848 0.443 1.00 10.00 C ATOM 1081 O PRO A 76 8.743 -16.385 0.226 1.00 10.00 O ATOM 1082 CB PRO A 76 7.504 -17.294 2.530 1.00 10.00 C ATOM 1083 CG PRO A 76 6.766 -18.585 2.217 1.00 10.00 C ATOM 1084 CD PRO A 76 5.481 -18.222 1.487 1.00 10.00 C ATOM 0 HA PRO A 76 6.754 -15.288 2.244 1.00 10.00 H new ATOM 0 HB2 PRO A 76 8.564 -17.382 2.290 1.00 10.00 H new ATOM 0 HB3 PRO A 76 7.436 -17.053 3.591 1.00 10.00 H new ATOM 0 HG2 PRO A 76 7.384 -19.238 1.601 1.00 10.00 H new ATOM 0 HG3 PRO A 76 6.543 -19.130 3.135 1.00 10.00 H new ATOM 0 HD2 PRO A 76 5.413 -18.734 0.527 1.00 10.00 H new ATOM 0 HD3 PRO A 76 4.602 -18.509 2.065 1.00 10.00 H new ATOM 1092 N GLY A 77 7.102 -14.932 -0.337 1.00 10.00 N ATOM 1093 CA GLY A 77 7.764 -14.483 -1.551 1.00 10.00 C ATOM 1094 C GLY A 77 8.058 -12.983 -1.492 1.00 10.00 C ATOM 1095 O GLY A 77 8.399 -12.454 -0.435 1.00 10.00 O ATOM 0 H GLY A 77 6.202 -14.489 -0.153 1.00 10.00 H new ATOM 0 HA2 GLY A 77 8.694 -15.034 -1.688 1.00 10.00 H new ATOM 0 HA3 GLY A 77 7.135 -14.700 -2.414 1.00 10.00 H new ATOM 1099 N THR A 78 7.913 -12.339 -2.641 1.00 10.00 N ATOM 1100 CA THR A 78 8.158 -10.910 -2.734 1.00 10.00 C ATOM 1101 C THR A 78 7.158 -10.259 -3.693 1.00 10.00 C ATOM 1102 O THR A 78 7.264 -10.420 -4.907 1.00 10.00 O ATOM 1103 CB THR A 78 9.616 -10.706 -3.145 1.00 10.00 C ATOM 1104 OG1 THR A 78 10.338 -10.783 -1.919 1.00 10.00 O ATOM 1105 CG2 THR A 78 9.890 -9.288 -3.652 1.00 10.00 C ATOM 0 H THR A 78 7.629 -12.781 -3.515 1.00 10.00 H new ATOM 0 HA THR A 78 8.005 -10.419 -1.773 1.00 10.00 H new ATOM 0 HB THR A 78 9.877 -11.425 -3.922 1.00 10.00 H new ATOM 0 HG1 THR A 78 9.784 -11.222 -1.240 1.00 10.00 H new ATOM 0 HG21 THR A 78 10.940 -9.198 -3.930 1.00 10.00 H new ATOM 0 HG22 THR A 78 9.265 -9.086 -4.522 1.00 10.00 H new ATOM 0 HG23 THR A 78 9.660 -8.570 -2.865 1.00 10.00 H new ATOM 1113 N TYR A 79 6.213 -9.536 -3.111 1.00 10.00 N ATOM 1114 CA TYR A 79 5.196 -8.861 -3.898 1.00 10.00 C ATOM 1115 C TYR A 79 5.674 -7.475 -4.339 1.00 10.00 C ATOM 1116 O TYR A 79 6.505 -6.861 -3.671 1.00 10.00 O ATOM 1117 CB TYR A 79 3.987 -8.700 -2.977 1.00 10.00 C ATOM 1118 CG TYR A 79 3.331 -10.023 -2.573 1.00 10.00 C ATOM 1119 CD1 TYR A 79 3.924 -10.825 -1.620 1.00 10.00 C ATOM 1120 CD2 TYR A 79 2.146 -10.414 -3.164 1.00 10.00 C ATOM 1121 CE1 TYR A 79 3.307 -12.070 -1.242 1.00 10.00 C ATOM 1122 CE2 TYR A 79 1.530 -11.658 -2.785 1.00 10.00 C ATOM 1123 CZ TYR A 79 2.140 -12.425 -1.843 1.00 10.00 C ATOM 1124 OH TYR A 79 1.558 -13.600 -1.485 1.00 10.00 O ATOM 0 H TYR A 79 6.130 -9.403 -2.103 1.00 10.00 H new ATOM 0 HA TYR A 79 4.964 -9.433 -4.796 1.00 10.00 H new ATOM 0 HB2 TYR A 79 4.297 -8.170 -2.076 1.00 10.00 H new ATOM 0 HB3 TYR A 79 3.245 -8.075 -3.474 1.00 10.00 H new ATOM 0 HD1 TYR A 79 4.851 -10.519 -1.158 1.00 10.00 H new ATOM 0 HD2 TYR A 79 1.682 -9.786 -3.910 1.00 10.00 H new ATOM 0 HE1 TYR A 79 3.761 -12.708 -0.498 1.00 10.00 H new ATOM 0 HE2 TYR A 79 0.603 -11.975 -3.239 1.00 10.00 H new ATOM 0 HH TYR A 79 0.664 -13.425 -1.123 1.00 10.00 H new ATOM 1134 N THR A 80 5.129 -7.025 -5.459 1.00 10.00 N ATOM 1135 CA THR A 80 5.490 -5.723 -5.996 1.00 10.00 C ATOM 1136 C THR A 80 4.234 -4.930 -6.359 1.00 10.00 C ATOM 1137 O THR A 80 3.212 -5.510 -6.722 1.00 10.00 O ATOM 1138 CB THR A 80 6.433 -5.945 -7.180 1.00 10.00 C ATOM 1139 OG1 THR A 80 7.547 -6.630 -6.613 1.00 10.00 O ATOM 1140 CG2 THR A 80 7.028 -4.638 -7.708 1.00 10.00 C ATOM 0 H THR A 80 4.440 -7.538 -6.010 1.00 10.00 H new ATOM 0 HA THR A 80 6.014 -5.120 -5.254 1.00 10.00 H new ATOM 0 HB THR A 80 5.895 -6.449 -7.983 1.00 10.00 H new ATOM 0 HG1 THR A 80 8.208 -6.815 -7.313 1.00 10.00 H new ATOM 0 HG21 THR A 80 7.690 -4.852 -8.547 1.00 10.00 H new ATOM 0 HG22 THR A 80 6.224 -3.980 -8.038 1.00 10.00 H new ATOM 0 HG23 THR A 80 7.595 -4.150 -6.915 1.00 10.00 H new ATOM 1148 N TYR A 81 4.350 -3.615 -6.249 1.00 10.00 N ATOM 1149 CA TYR A 81 3.237 -2.735 -6.560 1.00 10.00 C ATOM 1150 C TYR A 81 3.732 -1.406 -7.132 1.00 10.00 C ATOM 1151 O TYR A 81 4.844 -0.971 -6.832 1.00 10.00 O ATOM 1152 CB TYR A 81 2.524 -2.471 -5.234 1.00 10.00 C ATOM 1153 CG TYR A 81 3.400 -1.791 -4.180 1.00 10.00 C ATOM 1154 CD1 TYR A 81 3.772 -0.471 -4.339 1.00 10.00 C ATOM 1155 CD2 TYR A 81 3.818 -2.497 -3.071 1.00 10.00 C ATOM 1156 CE1 TYR A 81 4.597 0.168 -3.347 1.00 10.00 C ATOM 1157 CE2 TYR A 81 4.644 -1.857 -2.079 1.00 10.00 C ATOM 1158 CZ TYR A 81 4.992 -0.556 -2.267 1.00 10.00 C ATOM 1159 OH TYR A 81 5.772 0.049 -1.329 1.00 10.00 O ATOM 0 H TYR A 81 5.199 -3.137 -5.948 1.00 10.00 H new ATOM 0 HA TYR A 81 2.583 -3.192 -7.302 1.00 10.00 H new ATOM 0 HB2 TYR A 81 1.650 -1.848 -5.421 1.00 10.00 H new ATOM 0 HB3 TYR A 81 2.161 -3.418 -4.834 1.00 10.00 H new ATOM 0 HD1 TYR A 81 3.444 0.082 -5.207 1.00 10.00 H new ATOM 0 HD2 TYR A 81 3.526 -3.529 -2.946 1.00 10.00 H new ATOM 0 HE1 TYR A 81 4.895 1.200 -3.459 1.00 10.00 H new ATOM 0 HE2 TYR A 81 4.979 -2.398 -1.206 1.00 10.00 H new ATOM 0 HH TYR A 81 6.627 -0.425 -1.260 1.00 10.00 H new ATOM 1169 N TYR A 82 2.884 -0.796 -7.948 1.00 10.00 N ATOM 1170 CA TYR A 82 3.222 0.475 -8.565 1.00 10.00 C ATOM 1171 C TYR A 82 1.961 1.223 -9.004 1.00 10.00 C ATOM 1172 O TYR A 82 1.284 0.808 -9.945 1.00 10.00 O ATOM 1173 CB TYR A 82 4.056 0.135 -9.803 1.00 10.00 C ATOM 1174 CG TYR A 82 3.280 -0.613 -10.888 1.00 10.00 C ATOM 1175 CD1 TYR A 82 2.775 -1.872 -10.633 1.00 10.00 C ATOM 1176 CD2 TYR A 82 3.087 -0.031 -12.124 1.00 10.00 C ATOM 1177 CE1 TYR A 82 2.046 -2.577 -11.654 1.00 10.00 C ATOM 1178 CE2 TYR A 82 2.357 -0.735 -13.146 1.00 10.00 C ATOM 1179 CZ TYR A 82 1.873 -1.974 -12.861 1.00 10.00 C ATOM 1180 OH TYR A 82 1.184 -2.639 -13.828 1.00 10.00 O ATOM 0 H TYR A 82 1.964 -1.159 -8.196 1.00 10.00 H new ATOM 0 HA TYR A 82 3.758 1.112 -7.862 1.00 10.00 H new ATOM 0 HB2 TYR A 82 4.454 1.058 -10.225 1.00 10.00 H new ATOM 0 HB3 TYR A 82 4.910 -0.470 -9.499 1.00 10.00 H new ATOM 0 HD1 TYR A 82 2.927 -2.329 -9.666 1.00 10.00 H new ATOM 0 HD2 TYR A 82 3.484 0.953 -12.325 1.00 10.00 H new ATOM 0 HE1 TYR A 82 1.645 -3.562 -11.466 1.00 10.00 H new ATOM 0 HE2 TYR A 82 2.197 -0.290 -14.117 1.00 10.00 H new ATOM 0 HH TYR A 82 1.138 -2.086 -14.636 1.00 10.00 H new ATOM 1190 N CYS A 83 1.684 2.312 -8.304 1.00 10.00 N ATOM 1191 CA CYS A 83 0.516 3.123 -8.609 1.00 10.00 C ATOM 1192 C CYS A 83 0.440 3.301 -10.127 1.00 10.00 C ATOM 1193 O CYS A 83 1.169 4.110 -10.697 1.00 10.00 O ATOM 1194 CB CYS A 83 0.552 4.465 -7.877 1.00 10.00 C ATOM 1195 SG CYS A 83 -1.150 5.014 -7.494 1.00 10.00 S ATOM 0 H CYS A 83 2.248 2.653 -7.526 1.00 10.00 H new ATOM 0 HA CYS A 83 -0.384 2.618 -8.258 1.00 10.00 H new ATOM 0 HB2 CYS A 83 1.129 4.371 -6.957 1.00 10.00 H new ATOM 0 HB3 CYS A 83 1.054 5.211 -8.493 1.00 10.00 H new ATOM 1200 N GLU A 84 -0.449 2.533 -10.738 1.00 10.00 N ATOM 1201 CA GLU A 84 -0.631 2.595 -12.178 1.00 10.00 C ATOM 1202 C GLU A 84 -1.439 3.838 -12.557 1.00 10.00 C ATOM 1203 O GLU A 84 -0.992 4.653 -13.362 1.00 10.00 O ATOM 1204 CB GLU A 84 -1.300 1.323 -12.703 1.00 10.00 C ATOM 1205 CG GLU A 84 -0.440 0.655 -13.777 1.00 10.00 C ATOM 1206 CD GLU A 84 -1.291 0.225 -14.972 1.00 10.00 C ATOM 1207 OE1 GLU A 84 -1.852 1.132 -15.624 1.00 10.00 O ATOM 1208 OE2 GLU A 84 -1.362 -1.001 -15.208 1.00 10.00 O ATOM 0 H GLU A 84 -1.052 1.863 -10.261 1.00 10.00 H new ATOM 0 HA GLU A 84 0.351 2.667 -12.646 1.00 10.00 H new ATOM 0 HB2 GLU A 84 -1.465 0.628 -11.880 1.00 10.00 H new ATOM 0 HB3 GLU A 84 -2.279 1.566 -13.115 1.00 10.00 H new ATOM 0 HG2 GLU A 84 0.336 1.346 -14.108 1.00 10.00 H new ATOM 0 HG3 GLU A 84 0.066 -0.214 -13.355 1.00 10.00 H new ATOM 1215 N PRO A 85 -2.648 3.945 -11.942 1.00 10.00 N ATOM 1216 CA PRO A 85 -3.524 5.075 -12.208 1.00 10.00 C ATOM 1217 C PRO A 85 -3.016 6.338 -11.509 1.00 10.00 C ATOM 1218 O PRO A 85 -3.744 6.959 -10.736 1.00 10.00 O ATOM 1219 CB PRO A 85 -4.893 4.634 -11.717 1.00 10.00 C ATOM 1220 CG PRO A 85 -4.644 3.465 -10.778 1.00 10.00 C ATOM 1221 CD PRO A 85 -3.211 3.001 -10.982 1.00 10.00 C ATOM 0 HA PRO A 85 -3.561 5.340 -13.265 1.00 10.00 H new ATOM 0 HB2 PRO A 85 -5.403 5.447 -11.201 1.00 10.00 H new ATOM 0 HB3 PRO A 85 -5.529 4.336 -12.550 1.00 10.00 H new ATOM 0 HG2 PRO A 85 -4.804 3.766 -9.743 1.00 10.00 H new ATOM 0 HG3 PRO A 85 -5.341 2.653 -10.985 1.00 10.00 H new ATOM 0 HD2 PRO A 85 -2.655 3.010 -10.045 1.00 10.00 H new ATOM 0 HD3 PRO A 85 -3.176 1.980 -11.363 1.00 10.00 H new ATOM 1229 N HIS A 86 -1.771 6.679 -11.804 1.00 10.00 N ATOM 1230 CA HIS A 86 -1.158 7.857 -11.214 1.00 10.00 C ATOM 1231 C HIS A 86 -0.901 8.902 -12.301 1.00 10.00 C ATOM 1232 O HIS A 86 -0.619 8.554 -13.448 1.00 10.00 O ATOM 1233 CB HIS A 86 0.108 7.481 -10.442 1.00 10.00 C ATOM 1234 CG HIS A 86 0.455 8.439 -9.327 1.00 10.00 C ATOM 1235 ND1 HIS A 86 -0.174 8.413 -8.094 1.00 10.00 N ATOM 1236 CD2 HIS A 86 1.373 9.447 -9.271 1.00 10.00 C ATOM 1237 CE1 HIS A 86 0.347 9.369 -7.339 1.00 10.00 C ATOM 1238 NE2 HIS A 86 1.306 10.008 -8.071 1.00 10.00 N ATOM 0 H HIS A 86 -1.169 6.160 -12.444 1.00 10.00 H new ATOM 0 HA HIS A 86 -1.839 8.300 -10.487 1.00 10.00 H new ATOM 0 HB2 HIS A 86 -0.017 6.482 -10.023 1.00 10.00 H new ATOM 0 HB3 HIS A 86 0.945 7.432 -11.139 1.00 10.00 H new ATOM 0 HD1 HIS A 86 -0.913 7.768 -7.814 1.00 10.00 H new ATOM 0 HD2 HIS A 86 2.041 9.738 -10.068 1.00 10.00 H new ATOM 0 HE1 HIS A 86 0.063 9.602 -6.323 1.00 10.00 H new ATOM 1246 N ARG A 87 -1.009 10.161 -11.905 1.00 10.00 N ATOM 1247 CA ARG A 87 -0.792 11.259 -12.831 1.00 10.00 C ATOM 1248 C ARG A 87 0.607 11.168 -13.443 1.00 10.00 C ATOM 1249 O ARG A 87 0.755 11.155 -14.665 1.00 10.00 O ATOM 1250 CB ARG A 87 -0.947 12.610 -12.131 1.00 10.00 C ATOM 1251 CG ARG A 87 -2.233 13.314 -12.574 1.00 10.00 C ATOM 1252 CD ARG A 87 -1.969 14.784 -12.899 1.00 10.00 C ATOM 1253 NE ARG A 87 -2.638 15.651 -11.902 1.00 10.00 N ATOM 1254 CZ ARG A 87 -2.576 16.989 -11.910 1.00 10.00 C ATOM 1255 NH1 ARG A 87 -1.875 17.624 -12.859 1.00 10.00 N ATOM 1256 NH2 ARG A 87 -3.215 17.694 -10.966 1.00 10.00 N ATOM 0 H ARG A 87 -1.244 10.446 -10.954 1.00 10.00 H new ATOM 0 HA ARG A 87 -1.543 11.182 -13.617 1.00 10.00 H new ATOM 0 HB2 ARG A 87 -0.962 12.464 -11.051 1.00 10.00 H new ATOM 0 HB3 ARG A 87 -0.087 13.241 -12.356 1.00 10.00 H new ATOM 0 HG2 ARG A 87 -2.643 12.812 -13.450 1.00 10.00 H new ATOM 0 HG3 ARG A 87 -2.982 13.241 -11.785 1.00 10.00 H new ATOM 0 HD2 ARG A 87 -0.896 14.978 -12.900 1.00 10.00 H new ATOM 0 HD3 ARG A 87 -2.336 15.016 -13.899 1.00 10.00 H new ATOM 0 HE ARG A 87 -3.179 15.201 -11.164 1.00 10.00 H new ATOM 0 HH11 ARG A 87 -1.387 17.088 -13.577 1.00 10.00 H new ATOM 0 HH12 ARG A 87 -1.829 18.643 -12.863 1.00 10.00 H new ATOM 0 HH21 ARG A 87 -3.748 17.212 -10.242 1.00 10.00 H new ATOM 0 HH22 ARG A 87 -3.168 18.713 -10.971 1.00 10.00 H new ATOM 1270 N GLY A 88 1.599 11.108 -12.568 1.00 10.00 N ATOM 1271 CA GLY A 88 2.982 11.018 -13.007 1.00 10.00 C ATOM 1272 C GLY A 88 3.217 9.742 -13.818 1.00 10.00 C ATOM 1273 O GLY A 88 2.624 9.561 -14.880 1.00 10.00 O ATOM 0 H GLY A 88 1.473 11.120 -11.556 1.00 10.00 H new ATOM 0 HA2 GLY A 88 3.233 11.889 -13.612 1.00 10.00 H new ATOM 0 HA3 GLY A 88 3.644 11.030 -12.141 1.00 10.00 H new ATOM 1277 N ALA A 89 4.084 8.893 -13.286 1.00 10.00 N ATOM 1278 CA ALA A 89 4.406 7.640 -13.949 1.00 10.00 C ATOM 1279 C ALA A 89 5.688 7.064 -13.345 1.00 10.00 C ATOM 1280 O ALA A 89 6.787 7.503 -13.680 1.00 10.00 O ATOM 1281 CB ALA A 89 4.525 7.875 -15.456 1.00 10.00 C ATOM 0 H ALA A 89 4.573 9.048 -12.404 1.00 10.00 H new ATOM 0 HA ALA A 89 3.612 6.909 -13.796 1.00 10.00 H new ATOM 0 HB1 ALA A 89 4.766 6.935 -15.953 1.00 10.00 H new ATOM 0 HB2 ALA A 89 3.579 8.256 -15.841 1.00 10.00 H new ATOM 0 HB3 ALA A 89 5.314 8.601 -15.650 1.00 10.00 H new ATOM 1287 N GLY A 90 5.505 6.091 -12.465 1.00 10.00 N ATOM 1288 CA GLY A 90 6.634 5.450 -11.811 1.00 10.00 C ATOM 1289 C GLY A 90 6.210 4.810 -10.488 1.00 10.00 C ATOM 1290 O GLY A 90 5.738 3.673 -10.467 1.00 10.00 O ATOM 0 H GLY A 90 4.592 5.730 -12.189 1.00 10.00 H new ATOM 0 HA2 GLY A 90 7.056 4.690 -12.468 1.00 10.00 H new ATOM 0 HA3 GLY A 90 7.418 6.185 -11.629 1.00 10.00 H new ATOM 1294 N MET A 91 6.392 5.566 -9.415 1.00 10.00 N ATOM 1295 CA MET A 91 6.034 5.087 -8.092 1.00 10.00 C ATOM 1296 C MET A 91 6.638 3.706 -7.828 1.00 10.00 C ATOM 1297 O MET A 91 6.117 2.696 -8.299 1.00 10.00 O ATOM 1298 CB MET A 91 4.511 5.010 -7.971 1.00 10.00 C ATOM 1299 CG MET A 91 4.039 5.574 -6.628 1.00 10.00 C ATOM 1300 SD MET A 91 2.563 6.549 -6.863 1.00 10.00 S ATOM 1301 CE MET A 91 3.031 8.035 -5.992 1.00 10.00 C ATOM 0 H MET A 91 6.783 6.508 -9.436 1.00 10.00 H new ATOM 0 HA MET A 91 6.431 5.784 -7.354 1.00 10.00 H new ATOM 0 HB2 MET A 91 4.049 5.567 -8.786 1.00 10.00 H new ATOM 0 HB3 MET A 91 4.187 3.974 -8.069 1.00 10.00 H new ATOM 0 HG2 MET A 91 3.840 4.760 -5.931 1.00 10.00 H new ATOM 0 HG3 MET A 91 4.824 6.187 -6.185 1.00 10.00 H new ATOM 0 HE1 MET A 91 2.317 8.828 -6.216 1.00 10.00 H new ATOM 0 HE2 MET A 91 3.034 7.842 -4.919 1.00 10.00 H new ATOM 0 HE3 MET A 91 4.027 8.344 -6.308 1.00 10.00 H new ATOM 1311 N VAL A 92 7.729 3.706 -7.074 1.00 10.00 N ATOM 1312 CA VAL A 92 8.408 2.467 -6.742 1.00 10.00 C ATOM 1313 C VAL A 92 7.983 2.017 -5.342 1.00 10.00 C ATOM 1314 O VAL A 92 7.371 2.783 -4.600 1.00 10.00 O ATOM 1315 CB VAL A 92 9.922 2.646 -6.879 1.00 10.00 C ATOM 1316 CG1 VAL A 92 10.292 3.117 -8.287 1.00 10.00 C ATOM 1317 CG2 VAL A 92 10.457 3.610 -5.819 1.00 10.00 C ATOM 0 H VAL A 92 8.158 4.545 -6.684 1.00 10.00 H new ATOM 0 HA VAL A 92 8.124 1.678 -7.438 1.00 10.00 H new ATOM 0 HB VAL A 92 10.392 1.676 -6.716 1.00 10.00 H new ATOM 0 HG11 VAL A 92 11.373 3.237 -8.358 1.00 10.00 H new ATOM 0 HG12 VAL A 92 9.960 2.379 -9.017 1.00 10.00 H new ATOM 0 HG13 VAL A 92 9.807 4.072 -8.490 1.00 10.00 H new ATOM 0 HG21 VAL A 92 11.535 3.720 -5.938 1.00 10.00 H new ATOM 0 HG22 VAL A 92 9.978 4.582 -5.936 1.00 10.00 H new ATOM 0 HG23 VAL A 92 10.240 3.216 -4.826 1.00 10.00 H new ATOM 1327 N GLY A 93 8.329 0.778 -5.023 1.00 10.00 N ATOM 1328 CA GLY A 93 7.992 0.217 -3.726 1.00 10.00 C ATOM 1329 C GLY A 93 7.522 -1.232 -3.859 1.00 10.00 C ATOM 1330 O GLY A 93 6.655 -1.534 -4.678 1.00 10.00 O ATOM 0 H GLY A 93 8.839 0.147 -5.641 1.00 10.00 H new ATOM 0 HA2 GLY A 93 8.861 0.262 -3.070 1.00 10.00 H new ATOM 0 HA3 GLY A 93 7.209 0.815 -3.260 1.00 10.00 H new ATOM 1334 N LYS A 94 8.117 -2.092 -3.044 1.00 10.00 N ATOM 1335 CA LYS A 94 7.769 -3.502 -3.061 1.00 10.00 C ATOM 1336 C LYS A 94 7.829 -4.054 -1.635 1.00 10.00 C ATOM 1337 O LYS A 94 8.300 -3.378 -0.723 1.00 10.00 O ATOM 1338 CB LYS A 94 8.656 -4.259 -4.051 1.00 10.00 C ATOM 1339 CG LYS A 94 10.117 -4.252 -3.596 1.00 10.00 C ATOM 1340 CD LYS A 94 11.047 -3.852 -4.745 1.00 10.00 C ATOM 1341 CE LYS A 94 11.297 -5.034 -5.682 1.00 10.00 C ATOM 1342 NZ LYS A 94 12.499 -4.791 -6.512 1.00 10.00 N ATOM 0 H LYS A 94 8.838 -1.839 -2.368 1.00 10.00 H new ATOM 0 HA LYS A 94 6.747 -3.639 -3.414 1.00 10.00 H new ATOM 0 HB2 LYS A 94 8.306 -5.287 -4.146 1.00 10.00 H new ATOM 0 HB3 LYS A 94 8.577 -3.803 -5.038 1.00 10.00 H new ATOM 0 HG2 LYS A 94 10.240 -3.557 -2.765 1.00 10.00 H new ATOM 0 HG3 LYS A 94 10.392 -5.240 -3.228 1.00 10.00 H new ATOM 0 HD2 LYS A 94 10.606 -3.027 -5.304 1.00 10.00 H new ATOM 0 HD3 LYS A 94 11.995 -3.495 -4.343 1.00 10.00 H new ATOM 0 HE2 LYS A 94 11.428 -5.946 -5.100 1.00 10.00 H new ATOM 0 HE3 LYS A 94 10.429 -5.187 -6.324 1.00 10.00 H new ATOM 0 HZ1 LYS A 94 12.655 -5.603 -7.143 1.00 10.00 H new ATOM 0 HZ2 LYS A 94 12.360 -3.932 -7.081 1.00 10.00 H new ATOM 0 HZ3 LYS A 94 13.327 -4.667 -5.895 1.00 10.00 H new ATOM 1356 N VAL A 95 7.345 -5.279 -1.489 1.00 10.00 N ATOM 1357 CA VAL A 95 7.337 -5.930 -0.190 1.00 10.00 C ATOM 1358 C VAL A 95 8.059 -7.275 -0.295 1.00 10.00 C ATOM 1359 O VAL A 95 8.182 -7.835 -1.382 1.00 10.00 O ATOM 1360 CB VAL A 95 5.900 -6.061 0.321 1.00 10.00 C ATOM 1361 CG1 VAL A 95 5.873 -6.245 1.839 1.00 10.00 C ATOM 1362 CG2 VAL A 95 5.056 -4.858 -0.101 1.00 10.00 C ATOM 0 H VAL A 95 6.956 -5.837 -2.249 1.00 10.00 H new ATOM 0 HA VAL A 95 7.875 -5.328 0.543 1.00 10.00 H new ATOM 0 HB VAL A 95 5.463 -6.951 -0.132 1.00 10.00 H new ATOM 0 HG11 VAL A 95 4.840 -6.335 2.176 1.00 10.00 H new ATOM 0 HG12 VAL A 95 6.422 -7.148 2.106 1.00 10.00 H new ATOM 0 HG13 VAL A 95 6.337 -5.383 2.318 1.00 10.00 H new ATOM 0 HG21 VAL A 95 4.040 -4.977 0.275 1.00 10.00 H new ATOM 0 HG22 VAL A 95 5.491 -3.947 0.309 1.00 10.00 H new ATOM 0 HG23 VAL A 95 5.035 -4.792 -1.189 1.00 10.00 H new ATOM 1372 N VAL A 96 8.519 -7.754 0.852 1.00 10.00 N ATOM 1373 CA VAL A 96 9.226 -9.022 0.903 1.00 10.00 C ATOM 1374 C VAL A 96 8.711 -9.840 2.090 1.00 10.00 C ATOM 1375 O VAL A 96 8.887 -9.450 3.242 1.00 10.00 O ATOM 1376 CB VAL A 96 10.736 -8.777 0.956 1.00 10.00 C ATOM 1377 CG1 VAL A 96 11.492 -10.080 1.231 1.00 10.00 C ATOM 1378 CG2 VAL A 96 11.229 -8.117 -0.332 1.00 10.00 C ATOM 0 H VAL A 96 8.416 -7.287 1.753 1.00 10.00 H new ATOM 0 HA VAL A 96 9.036 -9.603 0.000 1.00 10.00 H new ATOM 0 HB VAL A 96 10.937 -8.093 1.780 1.00 10.00 H new ATOM 0 HG11 VAL A 96 12.563 -9.879 1.264 1.00 10.00 H new ATOM 0 HG12 VAL A 96 11.171 -10.492 2.187 1.00 10.00 H new ATOM 0 HG13 VAL A 96 11.281 -10.797 0.438 1.00 10.00 H new ATOM 0 HG21 VAL A 96 12.305 -7.954 -0.269 1.00 10.00 H new ATOM 0 HG22 VAL A 96 11.010 -8.766 -1.180 1.00 10.00 H new ATOM 0 HG23 VAL A 96 10.724 -7.160 -0.467 1.00 10.00 H new ATOM 1388 N VAL A 97 8.083 -10.962 1.766 1.00 10.00 N ATOM 1389 CA VAL A 97 7.542 -11.838 2.790 1.00 10.00 C ATOM 1390 C VAL A 97 8.688 -12.590 3.470 1.00 10.00 C ATOM 1391 O VAL A 97 9.736 -12.811 2.865 1.00 10.00 O ATOM 1392 CB VAL A 97 6.494 -12.771 2.178 1.00 10.00 C ATOM 1393 CG1 VAL A 97 5.704 -13.498 3.270 1.00 10.00 C ATOM 1394 CG2 VAL A 97 5.558 -12.006 1.242 1.00 10.00 C ATOM 0 H VAL A 97 7.937 -11.283 0.809 1.00 10.00 H new ATOM 0 HA VAL A 97 7.033 -11.258 3.560 1.00 10.00 H new ATOM 0 HB VAL A 97 7.018 -13.522 1.586 1.00 10.00 H new ATOM 0 HG11 VAL A 97 4.966 -14.155 2.809 1.00 10.00 H new ATOM 0 HG12 VAL A 97 6.386 -14.090 3.880 1.00 10.00 H new ATOM 0 HG13 VAL A 97 5.197 -12.767 3.900 1.00 10.00 H new ATOM 0 HG21 VAL A 97 4.824 -12.693 0.821 1.00 10.00 H new ATOM 0 HG22 VAL A 97 5.045 -11.223 1.801 1.00 10.00 H new ATOM 0 HG23 VAL A 97 6.138 -11.556 0.436 1.00 10.00 H new ATOM 1404 N ASP A 98 8.449 -12.961 4.719 1.00 10.00 N ATOM 1405 CA ASP A 98 9.449 -13.683 5.489 1.00 10.00 C ATOM 1406 C ASP A 98 8.770 -14.819 6.258 1.00 10.00 C ATOM 1407 O ASP A 98 9.294 -15.931 6.321 1.00 10.00 O ATOM 1408 CB ASP A 98 10.132 -12.766 6.505 1.00 10.00 C ATOM 1409 CG ASP A 98 11.410 -13.330 7.129 1.00 10.00 C ATOM 1410 OD1 ASP A 98 11.335 -14.464 7.646 1.00 10.00 O ATOM 1411 OD2 ASP A 98 12.432 -12.611 7.075 1.00 10.00 O ATOM 0 H ASP A 98 7.578 -12.776 5.217 1.00 10.00 H new ATOM 0 HA ASP A 98 10.195 -14.069 4.795 1.00 10.00 H new ATOM 0 HB2 ASP A 98 10.371 -11.821 6.016 1.00 10.00 H new ATOM 0 HB3 ASP A 98 9.424 -12.542 7.303 1.00 10.00 H new TER 1416 ASP A 98 HETATM 1417 CU CU A 99 -0.464 7.080 -6.240 1.00 10.00 CU