USER MOD reduce.3.24.130724 H: found=0, std=0, add=723, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 719 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 62 HIS HD1 : A 62 HIS ND1 : A 302 ZNZN :(H bumps) USER MOD Set 1.1: A 38 ASN : amide:sc= -6.41! C(o=-14!,f=-16!) USER MOD Set 1.2: A 60 HIS : no HD1:sc= -7.97! C(o=-14!,f=-15!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 165:sc= -0.765 (180deg=-1.43!) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= -0.432 X(o=-0.43,f=-0.46) USER MOD Single : A 9 HIS : no HD1:sc= -3.83! C(o=-3.8!,f=-5.9!) USER MOD Single : A 11 ASN : amide:sc= -4.82! C(o=-4.8!,f=-5.6!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= -0.242 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.668 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -131:sc= -2.32 (180deg=-5.01!) USER MOD Single : A 49 CYS SG : rot -24:sc= 0.577 USER MOD Single : A 51 CYS SG : rot -1:sc= 0.337 USER MOD Single : A 52 LYS NZ :NH3+ -165:sc= -4.89! (180deg=-5.14!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -150:sc= -0.367 (180deg=-1.37!) USER MOD Single : A 67 HIS : no HD1:sc= -3.85! C(o=-3.9!,f=-5.8!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=-0.082) USER MOD Single : A 73 ASN : amide:sc= -0.733 K(o=-0.73,f=-3.6!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ -165:sc=-0.00422 (180deg=-0.147) USER MOD Single : A 86 GLN : amide:sc= -0.427 K(o=-0.43,f=-4.9!) USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.0045 USER MOD Single : A 93 TYR OH : rot -130:sc= 0.657 USER MOD Single : A 94 SER OG : rot 180:sc=-0.00093 USER MOD Single : A 95 ASN : amide:sc= -3.87! C(o=-3.9!,f=-4.7!) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 100:sc= 0.406 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.673 30.444 -2.914 1.00 2.21 N ATOM 2 CA MET A 1 -12.960 30.427 -4.223 1.00 1.57 C ATOM 3 C MET A 1 -11.619 31.151 -4.085 1.00 1.31 C ATOM 4 O MET A 1 -10.890 31.314 -5.043 1.00 1.40 O ATOM 5 CB MET A 1 -13.813 31.138 -5.277 1.00 1.95 C ATOM 6 CG MET A 1 -14.118 32.563 -4.809 1.00 2.57 C ATOM 7 SD MET A 1 -15.380 33.293 -5.881 1.00 3.56 S ATOM 8 CE MET A 1 -14.253 34.029 -7.090 1.00 4.37 C ATOM 0 H1 MET A 1 -14.670 30.187 -3.059 1.00 2.21 H new ATOM 0 H2 MET A 1 -13.230 29.760 -2.268 1.00 2.21 H new ATOM 0 H3 MET A 1 -13.617 31.397 -2.501 1.00 2.21 H new ATOM 0 HA MET A 1 -12.787 29.395 -4.527 1.00 1.57 H new ATOM 0 HB2 MET A 1 -13.286 31.162 -6.231 1.00 1.95 H new ATOM 0 HB3 MET A 1 -14.741 30.590 -5.439 1.00 1.95 H new ATOM 0 HG2 MET A 1 -14.466 32.551 -3.776 1.00 2.57 H new ATOM 0 HG3 MET A 1 -13.211 33.167 -4.833 1.00 2.57 H new ATOM 0 HE1 MET A 1 -14.830 34.542 -7.860 1.00 4.37 H new ATOM 0 HE2 MET A 1 -13.599 34.743 -6.590 1.00 4.37 H new ATOM 0 HE3 MET A 1 -13.650 33.246 -7.550 1.00 4.37 H new ATOM 20 N THR A 2 -11.289 31.590 -2.900 1.00 1.16 N ATOM 21 CA THR A 2 -9.997 32.307 -2.704 1.00 1.11 C ATOM 22 C THR A 2 -8.857 31.294 -2.586 1.00 0.95 C ATOM 23 O THR A 2 -7.855 31.390 -3.266 1.00 1.00 O ATOM 24 CB THR A 2 -10.073 33.151 -1.427 1.00 1.29 C ATOM 25 OG1 THR A 2 -8.845 33.841 -1.245 1.00 1.45 O ATOM 26 CG2 THR A 2 -10.337 32.249 -0.218 1.00 1.38 C ATOM 0 H THR A 2 -11.858 31.483 -2.060 1.00 1.16 H new ATOM 0 HA THR A 2 -9.809 32.957 -3.559 1.00 1.11 H new ATOM 0 HB THR A 2 -10.888 33.869 -1.520 1.00 1.29 H new ATOM 0 HG1 THR A 2 -8.892 34.383 -0.430 1.00 1.45 H new ATOM 0 HG21 THR A 2 -10.389 32.857 0.685 1.00 1.38 H new ATOM 0 HG22 THR A 2 -11.281 31.722 -0.356 1.00 1.38 H new ATOM 0 HG23 THR A 2 -9.528 31.525 -0.121 1.00 1.38 H new ATOM 34 N GLU A 3 -9.002 30.325 -1.727 1.00 0.86 N ATOM 35 CA GLU A 3 -7.932 29.304 -1.557 1.00 0.73 C ATOM 36 C GLU A 3 -8.091 28.215 -2.612 1.00 0.62 C ATOM 37 O GLU A 3 -8.995 28.242 -3.424 1.00 0.66 O ATOM 38 CB GLU A 3 -8.044 28.689 -0.159 1.00 0.74 C ATOM 39 CG GLU A 3 -9.319 27.840 -0.059 1.00 0.75 C ATOM 40 CD GLU A 3 -9.654 27.585 1.412 1.00 1.23 C ATOM 41 OE1 GLU A 3 -8.881 26.905 2.066 1.00 1.72 O ATOM 42 OE2 GLU A 3 -10.679 28.074 1.859 1.00 1.91 O ATOM 0 H GLU A 3 -9.820 30.196 -1.132 1.00 0.86 H new ATOM 0 HA GLU A 3 -6.955 29.773 -1.673 1.00 0.73 H new ATOM 0 HB2 GLU A 3 -7.169 28.072 0.047 1.00 0.74 H new ATOM 0 HB3 GLU A 3 -8.062 29.477 0.594 1.00 0.74 H new ATOM 0 HG2 GLU A 3 -10.148 28.352 -0.547 1.00 0.75 H new ATOM 0 HG3 GLU A 3 -9.179 26.893 -0.580 1.00 0.75 H new ATOM 49 N ARG A 4 -7.206 27.259 -2.609 1.00 0.54 N ATOM 50 CA ARG A 4 -7.273 26.161 -3.606 1.00 0.47 C ATOM 51 C ARG A 4 -7.997 24.963 -3.002 1.00 0.39 C ATOM 52 O ARG A 4 -7.879 24.682 -1.825 1.00 0.38 O ATOM 53 CB ARG A 4 -5.848 25.770 -3.980 1.00 0.48 C ATOM 54 CG ARG A 4 -5.148 26.969 -4.644 1.00 0.58 C ATOM 55 CD ARG A 4 -5.542 27.065 -6.126 1.00 0.63 C ATOM 56 NE ARG A 4 -4.624 28.008 -6.823 1.00 0.81 N ATOM 57 CZ ARG A 4 -4.575 28.026 -8.127 1.00 1.10 C ATOM 58 NH1 ARG A 4 -5.325 27.212 -8.819 1.00 2.05 N ATOM 59 NH2 ARG A 4 -3.775 28.856 -8.739 1.00 1.19 N ATOM 0 H ARG A 4 -6.431 27.193 -1.950 1.00 0.54 H new ATOM 0 HA ARG A 4 -7.817 26.487 -4.492 1.00 0.47 H new ATOM 0 HB2 ARG A 4 -5.299 25.460 -3.091 1.00 0.48 H new ATOM 0 HB3 ARG A 4 -5.859 24.919 -4.660 1.00 0.48 H new ATOM 0 HG2 ARG A 4 -5.421 27.889 -4.128 1.00 0.58 H new ATOM 0 HG3 ARG A 4 -4.067 26.862 -4.555 1.00 0.58 H new ATOM 0 HD2 ARG A 4 -5.492 26.081 -6.591 1.00 0.63 H new ATOM 0 HD3 ARG A 4 -6.572 27.409 -6.218 1.00 0.63 H new ATOM 0 HE ARG A 4 -4.034 28.640 -6.281 1.00 0.81 H new ATOM 0 HH11 ARG A 4 -5.949 26.562 -8.341 1.00 2.05 H new ATOM 0 HH12 ARG A 4 -5.287 27.226 -9.838 1.00 2.05 H new ATOM 0 HH21 ARG A 4 -3.188 29.491 -8.198 1.00 1.19 H new ATOM 0 HH22 ARG A 4 -3.737 28.870 -9.758 1.00 1.19 H new ATOM 73 N PHE A 5 -8.755 24.263 -3.805 1.00 0.38 N ATOM 74 CA PHE A 5 -9.516 23.081 -3.310 1.00 0.34 C ATOM 75 C PHE A 5 -9.091 21.842 -4.100 1.00 0.33 C ATOM 76 O PHE A 5 -9.865 21.270 -4.842 1.00 0.39 O ATOM 77 CB PHE A 5 -11.009 23.355 -3.522 1.00 0.41 C ATOM 78 CG PHE A 5 -11.830 22.557 -2.544 1.00 0.42 C ATOM 79 CD1 PHE A 5 -11.845 22.926 -1.198 1.00 0.42 C ATOM 80 CD2 PHE A 5 -12.574 21.458 -2.980 1.00 0.46 C ATOM 81 CE1 PHE A 5 -12.605 22.196 -0.282 1.00 0.46 C ATOM 82 CE2 PHE A 5 -13.336 20.724 -2.064 1.00 0.49 C ATOM 83 CZ PHE A 5 -13.352 21.093 -0.716 1.00 0.50 C ATOM 0 H PHE A 5 -8.880 24.465 -4.797 1.00 0.38 H new ATOM 0 HA PHE A 5 -9.317 22.908 -2.252 1.00 0.34 H new ATOM 0 HB2 PHE A 5 -11.212 24.418 -3.395 1.00 0.41 H new ATOM 0 HB3 PHE A 5 -11.292 23.096 -4.542 1.00 0.41 H new ATOM 0 HD1 PHE A 5 -11.269 23.776 -0.865 1.00 0.42 H new ATOM 0 HD2 PHE A 5 -12.561 21.175 -4.022 1.00 0.46 H new ATOM 0 HE1 PHE A 5 -12.617 22.481 0.760 1.00 0.46 H new ATOM 0 HE2 PHE A 5 -13.911 19.873 -2.398 1.00 0.49 H new ATOM 0 HZ PHE A 5 -13.940 20.528 -0.009 1.00 0.50 H new ATOM 93 N ASP A 6 -7.863 21.425 -3.939 1.00 0.28 N ATOM 94 CA ASP A 6 -7.368 20.216 -4.668 1.00 0.29 C ATOM 95 C ASP A 6 -6.602 19.319 -3.705 1.00 0.22 C ATOM 96 O ASP A 6 -6.004 19.773 -2.750 1.00 0.18 O ATOM 97 CB ASP A 6 -6.445 20.640 -5.817 1.00 0.37 C ATOM 98 CG ASP A 6 -5.615 21.851 -5.388 1.00 0.58 C ATOM 99 OD1 ASP A 6 -5.019 21.790 -4.325 1.00 1.19 O ATOM 100 OD2 ASP A 6 -5.589 22.819 -6.130 1.00 1.38 O ATOM 0 H ASP A 6 -7.176 21.871 -3.331 1.00 0.28 H new ATOM 0 HA ASP A 6 -8.219 19.671 -5.076 1.00 0.29 H new ATOM 0 HB2 ASP A 6 -5.788 19.815 -6.092 1.00 0.37 H new ATOM 0 HB3 ASP A 6 -7.036 20.885 -6.700 1.00 0.37 H new ATOM 105 N CYS A 7 -6.612 18.045 -3.960 1.00 0.23 N ATOM 106 CA CYS A 7 -5.884 17.108 -3.076 1.00 0.18 C ATOM 107 C CYS A 7 -4.399 17.470 -3.101 1.00 0.23 C ATOM 108 O CYS A 7 -3.697 17.186 -4.042 1.00 0.31 O ATOM 109 CB CYS A 7 -6.094 15.691 -3.591 1.00 0.23 C ATOM 110 SG CYS A 7 -4.906 14.560 -2.829 1.00 0.22 S ATOM 0 H CYS A 7 -7.096 17.613 -4.747 1.00 0.23 H new ATOM 0 HA CYS A 7 -6.251 17.173 -2.052 1.00 0.18 H new ATOM 0 HB2 CYS A 7 -7.110 15.364 -3.370 1.00 0.23 H new ATOM 0 HB3 CYS A 7 -5.981 15.671 -4.675 1.00 0.23 H new ATOM 115 N HIS A 8 -3.924 18.115 -2.083 1.00 0.22 N ATOM 116 CA HIS A 8 -2.493 18.524 -2.047 1.00 0.31 C ATOM 117 C HIS A 8 -1.581 17.371 -2.468 1.00 0.35 C ATOM 118 O HIS A 8 -0.441 17.583 -2.832 1.00 0.43 O ATOM 119 CB HIS A 8 -2.142 18.956 -0.628 1.00 0.34 C ATOM 120 CG HIS A 8 -0.806 19.647 -0.624 1.00 0.45 C ATOM 121 ND1 HIS A 8 0.267 19.179 0.119 1.00 1.21 N ATOM 122 CD2 HIS A 8 -0.352 20.771 -1.269 1.00 1.05 C ATOM 123 CE1 HIS A 8 1.303 20.011 -0.095 1.00 0.99 C ATOM 124 NE2 HIS A 8 0.979 20.999 -0.933 1.00 0.74 N ATOM 0 H HIS A 8 -4.468 18.382 -1.263 1.00 0.22 H new ATOM 0 HA HIS A 8 -2.344 19.348 -2.745 1.00 0.31 H new ATOM 0 HB2 HIS A 8 -2.910 19.626 -0.241 1.00 0.34 H new ATOM 0 HB3 HIS A 8 -2.115 18.088 0.031 1.00 0.34 H new ATOM 0 HD2 HIS A 8 -0.939 21.385 -1.936 1.00 1.05 H new ATOM 0 HE1 HIS A 8 2.277 19.894 0.356 1.00 0.99 H new ATOM 0 HE2 HIS A 8 1.578 21.758 -1.257 1.00 0.74 H new ATOM 132 N HIS A 9 -2.053 16.153 -2.415 1.00 0.31 N ATOM 133 CA HIS A 9 -1.180 15.001 -2.806 1.00 0.37 C ATOM 134 C HIS A 9 -1.359 14.682 -4.303 1.00 0.42 C ATOM 135 O HIS A 9 -0.439 14.832 -5.083 1.00 0.49 O ATOM 136 CB HIS A 9 -1.535 13.780 -1.947 1.00 0.33 C ATOM 137 CG HIS A 9 -0.754 12.576 -2.406 1.00 0.40 C ATOM 138 ND1 HIS A 9 0.109 12.618 -3.490 1.00 0.50 N ATOM 139 CD2 HIS A 9 -0.694 11.289 -1.929 1.00 0.41 C ATOM 140 CE1 HIS A 9 0.646 11.391 -3.629 1.00 0.54 C ATOM 141 NE2 HIS A 9 0.190 10.544 -2.703 1.00 0.48 N ATOM 0 H HIS A 9 -2.997 15.905 -2.121 1.00 0.31 H new ATOM 0 HA HIS A 9 -0.136 15.263 -2.637 1.00 0.37 H new ATOM 0 HB2 HIS A 9 -1.316 13.987 -0.900 1.00 0.33 H new ATOM 0 HB3 HIS A 9 -2.604 13.577 -2.015 1.00 0.33 H new ATOM 0 HD2 HIS A 9 -1.249 10.913 -1.082 1.00 0.41 H new ATOM 0 HE1 HIS A 9 1.358 11.125 -4.396 1.00 0.54 H new ATOM 0 HE2 HIS A 9 0.437 9.561 -2.588 1.00 0.48 H new ATOM 149 N CYS A 10 -2.524 14.252 -4.718 1.00 0.40 N ATOM 150 CA CYS A 10 -2.732 13.939 -6.168 1.00 0.47 C ATOM 151 C CYS A 10 -2.991 15.239 -6.931 1.00 0.50 C ATOM 152 O CYS A 10 -3.086 15.256 -8.141 1.00 0.62 O ATOM 153 CB CYS A 10 -3.943 13.019 -6.336 1.00 0.46 C ATOM 154 SG CYS A 10 -3.858 11.664 -5.147 1.00 0.42 S ATOM 0 H CYS A 10 -3.337 14.104 -4.120 1.00 0.40 H new ATOM 0 HA CYS A 10 -1.842 13.444 -6.557 1.00 0.47 H new ATOM 0 HB2 CYS A 10 -4.863 13.585 -6.190 1.00 0.46 H new ATOM 0 HB3 CYS A 10 -3.971 12.622 -7.351 1.00 0.46 H new ATOM 159 N ASN A 11 -3.118 16.317 -6.215 1.00 0.44 N ATOM 160 CA ASN A 11 -3.384 17.646 -6.844 1.00 0.47 C ATOM 161 C ASN A 11 -4.625 17.575 -7.742 1.00 0.50 C ATOM 162 O ASN A 11 -4.805 18.386 -8.628 1.00 0.55 O ATOM 163 CB ASN A 11 -2.149 18.112 -7.643 1.00 0.56 C ATOM 164 CG ASN A 11 -2.119 17.474 -9.037 1.00 1.12 C ATOM 165 OD1 ASN A 11 -1.418 16.506 -9.260 1.00 1.61 O ATOM 166 ND2 ASN A 11 -2.851 17.982 -9.991 1.00 1.61 N ATOM 0 H ASN A 11 -3.048 16.338 -5.198 1.00 0.44 H new ATOM 0 HA ASN A 11 -3.579 18.376 -6.058 1.00 0.47 H new ATOM 0 HB2 ASN A 11 -2.162 19.198 -7.737 1.00 0.56 H new ATOM 0 HB3 ASN A 11 -1.241 17.850 -7.100 1.00 0.56 H new ATOM 0 HD21 ASN A 11 -2.835 17.567 -10.923 1.00 1.61 H new ATOM 0 HD22 ASN A 11 -3.439 18.794 -9.805 1.00 1.61 H new ATOM 173 N GLU A 12 -5.493 16.623 -7.507 1.00 0.48 N ATOM 174 CA GLU A 12 -6.736 16.513 -8.334 1.00 0.53 C ATOM 175 C GLU A 12 -7.895 17.166 -7.577 1.00 0.49 C ATOM 176 O GLU A 12 -8.056 16.973 -6.388 1.00 0.42 O ATOM 177 CB GLU A 12 -7.059 15.035 -8.593 1.00 0.56 C ATOM 178 CG GLU A 12 -7.519 14.362 -7.295 1.00 0.49 C ATOM 179 CD GLU A 12 -7.522 12.843 -7.478 1.00 0.52 C ATOM 180 OE1 GLU A 12 -6.482 12.306 -7.820 1.00 1.10 O ATOM 181 OE2 GLU A 12 -8.565 12.243 -7.273 1.00 1.24 O ATOM 0 H GLU A 12 -5.395 15.916 -6.778 1.00 0.48 H new ATOM 0 HA GLU A 12 -6.587 17.016 -9.289 1.00 0.53 H new ATOM 0 HB2 GLU A 12 -7.838 14.952 -9.351 1.00 0.56 H new ATOM 0 HB3 GLU A 12 -6.178 14.525 -8.984 1.00 0.56 H new ATOM 0 HG2 GLU A 12 -6.856 14.638 -6.475 1.00 0.49 H new ATOM 0 HG3 GLU A 12 -8.517 14.708 -7.028 1.00 0.49 H new ATOM 188 N SER A 13 -8.708 17.932 -8.250 1.00 0.54 N ATOM 189 CA SER A 13 -9.855 18.585 -7.558 1.00 0.52 C ATOM 190 C SER A 13 -10.601 17.545 -6.717 1.00 0.50 C ATOM 191 O SER A 13 -10.882 16.457 -7.178 1.00 0.55 O ATOM 192 CB SER A 13 -10.808 19.170 -8.602 1.00 0.61 C ATOM 193 OG SER A 13 -10.090 20.059 -9.447 1.00 1.34 O ATOM 0 H SER A 13 -8.628 18.134 -9.247 1.00 0.54 H new ATOM 0 HA SER A 13 -9.486 19.381 -6.911 1.00 0.52 H new ATOM 0 HB2 SER A 13 -11.255 18.370 -9.192 1.00 0.61 H new ATOM 0 HB3 SER A 13 -11.625 19.698 -8.110 1.00 0.61 H new ATOM 0 HG SER A 13 -10.697 20.434 -10.118 1.00 1.34 H new ATOM 199 N LEU A 14 -10.939 17.862 -5.490 1.00 0.45 N ATOM 200 CA LEU A 14 -11.677 16.865 -4.661 1.00 0.46 C ATOM 201 C LEU A 14 -12.938 16.495 -5.433 1.00 0.57 C ATOM 202 O LEU A 14 -13.599 17.338 -6.007 1.00 0.62 O ATOM 203 CB LEU A 14 -12.053 17.465 -3.308 1.00 0.43 C ATOM 204 CG LEU A 14 -10.828 17.620 -2.410 1.00 0.33 C ATOM 205 CD1 LEU A 14 -10.193 16.252 -2.131 1.00 0.30 C ATOM 206 CD2 LEU A 14 -9.816 18.553 -3.068 1.00 0.28 C ATOM 0 H LEU A 14 -10.739 18.753 -5.035 1.00 0.45 H new ATOM 0 HA LEU A 14 -11.057 15.989 -4.472 1.00 0.46 H new ATOM 0 HB2 LEU A 14 -12.523 18.437 -3.457 1.00 0.43 H new ATOM 0 HB3 LEU A 14 -12.788 16.828 -2.817 1.00 0.43 H new ATOM 0 HG LEU A 14 -11.140 18.053 -1.460 1.00 0.33 H new ATOM 0 HD11 LEU A 14 -9.321 16.380 -1.490 1.00 0.30 H new ATOM 0 HD12 LEU A 14 -10.919 15.609 -1.633 1.00 0.30 H new ATOM 0 HD13 LEU A 14 -9.887 15.794 -3.072 1.00 0.30 H new ATOM 0 HD21 LEU A 14 -8.945 18.659 -2.422 1.00 0.28 H new ATOM 0 HD22 LEU A 14 -9.508 18.137 -4.027 1.00 0.28 H new ATOM 0 HD23 LEU A 14 -10.271 19.531 -3.226 1.00 0.28 H new ATOM 218 N PHE A 15 -13.221 15.235 -5.526 1.00 0.60 N ATOM 219 CA PHE A 15 -14.381 14.797 -6.350 1.00 0.70 C ATOM 220 C PHE A 15 -15.745 14.893 -5.645 1.00 0.76 C ATOM 221 O PHE A 15 -16.185 13.975 -4.987 1.00 0.78 O ATOM 222 CB PHE A 15 -14.132 13.334 -6.735 1.00 0.72 C ATOM 223 CG PHE A 15 -13.944 12.496 -5.482 1.00 0.68 C ATOM 224 CD1 PHE A 15 -12.724 12.514 -4.778 1.00 0.59 C ATOM 225 CD2 PHE A 15 -14.998 11.699 -5.022 1.00 0.74 C ATOM 226 CE1 PHE A 15 -12.574 11.738 -3.622 1.00 0.56 C ATOM 227 CE2 PHE A 15 -14.844 10.925 -3.867 1.00 0.72 C ATOM 228 CZ PHE A 15 -13.634 10.945 -3.167 1.00 0.63 C ATOM 0 H PHE A 15 -12.703 14.485 -5.069 1.00 0.60 H new ATOM 0 HA PHE A 15 -14.443 15.469 -7.206 1.00 0.70 H new ATOM 0 HB2 PHE A 15 -14.972 12.953 -7.315 1.00 0.72 H new ATOM 0 HB3 PHE A 15 -13.248 13.261 -7.368 1.00 0.72 H new ATOM 0 HD1 PHE A 15 -11.906 13.125 -5.129 1.00 0.59 H new ATOM 0 HD2 PHE A 15 -15.934 11.681 -5.561 1.00 0.74 H new ATOM 0 HE1 PHE A 15 -11.639 11.751 -3.081 1.00 0.56 H new ATOM 0 HE2 PHE A 15 -15.660 10.311 -3.516 1.00 0.72 H new ATOM 0 HZ PHE A 15 -13.517 10.348 -2.275 1.00 0.63 H new ATOM 238 N GLY A 16 -16.479 15.939 -5.904 1.00 0.81 N ATOM 239 CA GLY A 16 -17.881 16.026 -5.396 1.00 0.89 C ATOM 240 C GLY A 16 -18.026 15.627 -3.922 1.00 0.88 C ATOM 241 O GLY A 16 -19.138 15.434 -3.470 1.00 0.95 O ATOM 0 H GLY A 16 -16.168 16.743 -6.449 1.00 0.81 H new ATOM 0 HA2 GLY A 16 -18.243 17.046 -5.525 1.00 0.89 H new ATOM 0 HA3 GLY A 16 -18.519 15.383 -6.002 1.00 0.89 H new ATOM 245 N LYS A 17 -16.963 15.418 -3.179 1.00 0.79 N ATOM 246 CA LYS A 17 -17.151 14.936 -1.760 1.00 0.80 C ATOM 247 C LYS A 17 -16.292 15.692 -0.751 1.00 0.73 C ATOM 248 O LYS A 17 -15.282 16.286 -1.074 1.00 0.66 O ATOM 249 CB LYS A 17 -16.782 13.451 -1.704 1.00 0.80 C ATOM 250 CG LYS A 17 -16.904 12.941 -0.260 1.00 0.84 C ATOM 251 CD LYS A 17 -17.015 11.414 -0.257 1.00 0.92 C ATOM 252 CE LYS A 17 -17.199 10.922 1.179 1.00 1.62 C ATOM 253 NZ LYS A 17 -17.401 9.445 1.178 1.00 2.22 N ATOM 0 H LYS A 17 -15.997 15.554 -3.477 1.00 0.79 H new ATOM 0 HA LYS A 17 -18.192 15.110 -1.489 1.00 0.80 H new ATOM 0 HB2 LYS A 17 -17.439 12.878 -2.359 1.00 0.80 H new ATOM 0 HB3 LYS A 17 -15.764 13.305 -2.067 1.00 0.80 H new ATOM 0 HG2 LYS A 17 -16.035 13.253 0.320 1.00 0.84 H new ATOM 0 HG3 LYS A 17 -17.780 13.379 0.217 1.00 0.84 H new ATOM 0 HD2 LYS A 17 -17.858 11.098 -0.872 1.00 0.92 H new ATOM 0 HD3 LYS A 17 -16.119 10.972 -0.693 1.00 0.92 H new ATOM 0 HE2 LYS A 17 -16.325 11.180 1.777 1.00 1.62 H new ATOM 0 HE3 LYS A 17 -18.056 11.416 1.637 1.00 1.62 H new ATOM 0 HZ1 LYS A 17 -17.526 9.111 2.155 1.00 2.22 H new ATOM 0 HZ2 LYS A 17 -18.247 9.211 0.621 1.00 2.22 H new ATOM 0 HZ3 LYS A 17 -16.571 8.981 0.757 1.00 2.22 H new ATOM 267 N LYS A 18 -16.703 15.634 0.493 1.00 0.78 N ATOM 268 CA LYS A 18 -15.947 16.300 1.584 1.00 0.74 C ATOM 269 C LYS A 18 -14.492 15.862 1.498 1.00 0.64 C ATOM 270 O LYS A 18 -14.143 14.989 0.728 1.00 0.61 O ATOM 271 CB LYS A 18 -16.526 15.893 2.944 1.00 0.82 C ATOM 272 CG LYS A 18 -17.826 16.664 3.207 1.00 1.61 C ATOM 273 CD LYS A 18 -18.648 15.942 4.280 1.00 1.97 C ATOM 274 CE LYS A 18 -17.853 15.884 5.587 1.00 2.86 C ATOM 275 NZ LYS A 18 -18.743 15.416 6.687 1.00 3.55 N ATOM 0 H LYS A 18 -17.544 15.144 0.796 1.00 0.78 H new ATOM 0 HA LYS A 18 -16.022 17.382 1.480 1.00 0.74 H new ATOM 0 HB2 LYS A 18 -16.719 14.820 2.961 1.00 0.82 H new ATOM 0 HB3 LYS A 18 -15.804 16.100 3.734 1.00 0.82 H new ATOM 0 HG2 LYS A 18 -17.598 17.679 3.532 1.00 1.61 H new ATOM 0 HG3 LYS A 18 -18.404 16.746 2.286 1.00 1.61 H new ATOM 0 HD2 LYS A 18 -19.592 16.463 4.440 1.00 1.97 H new ATOM 0 HD3 LYS A 18 -18.893 14.933 3.947 1.00 1.97 H new ATOM 0 HE2 LYS A 18 -17.004 15.209 5.479 1.00 2.86 H new ATOM 0 HE3 LYS A 18 -17.450 16.868 5.824 1.00 2.86 H new ATOM 0 HZ1 LYS A 18 -18.205 15.376 7.576 1.00 3.55 H new ATOM 0 HZ2 LYS A 18 -19.539 16.076 6.794 1.00 3.55 H new ATOM 0 HZ3 LYS A 18 -19.107 14.469 6.460 1.00 3.55 H new ATOM 289 N TYR A 19 -13.631 16.477 2.258 1.00 0.59 N ATOM 290 CA TYR A 19 -12.189 16.113 2.192 1.00 0.50 C ATOM 291 C TYR A 19 -11.549 16.205 3.575 1.00 0.51 C ATOM 292 O TYR A 19 -12.070 16.829 4.478 1.00 0.58 O ATOM 293 CB TYR A 19 -11.510 17.078 1.234 1.00 0.41 C ATOM 294 CG TYR A 19 -11.557 18.476 1.807 1.00 0.43 C ATOM 295 CD1 TYR A 19 -12.771 19.173 1.862 1.00 0.50 C ATOM 296 CD2 TYR A 19 -10.388 19.073 2.285 1.00 0.38 C ATOM 297 CE1 TYR A 19 -12.813 20.466 2.395 1.00 0.53 C ATOM 298 CE2 TYR A 19 -10.430 20.369 2.818 1.00 0.41 C ATOM 299 CZ TYR A 19 -11.643 21.064 2.872 1.00 0.48 C ATOM 300 OH TYR A 19 -11.684 22.340 3.397 1.00 0.52 O ATOM 0 H TYR A 19 -13.863 17.216 2.922 1.00 0.59 H new ATOM 0 HA TYR A 19 -12.077 15.087 1.843 1.00 0.50 H new ATOM 0 HB2 TYR A 19 -10.476 16.776 1.069 1.00 0.41 H new ATOM 0 HB3 TYR A 19 -12.007 17.054 0.264 1.00 0.41 H new ATOM 0 HD1 TYR A 19 -13.675 18.712 1.493 1.00 0.50 H new ATOM 0 HD2 TYR A 19 -9.452 18.536 2.244 1.00 0.38 H new ATOM 0 HE1 TYR A 19 -13.750 21.002 2.438 1.00 0.53 H new ATOM 0 HE2 TYR A 19 -9.526 20.831 3.187 1.00 0.41 H new ATOM 0 HH TYR A 19 -10.785 22.605 3.684 1.00 0.52 H new ATOM 310 N ILE A 20 -10.424 15.559 3.742 1.00 0.46 N ATOM 311 CA ILE A 20 -9.720 15.558 5.060 1.00 0.51 C ATOM 312 C ILE A 20 -8.417 16.359 4.958 1.00 0.46 C ATOM 313 O ILE A 20 -7.712 16.285 3.971 1.00 0.38 O ATOM 314 CB ILE A 20 -9.380 14.110 5.422 1.00 0.53 C ATOM 315 CG1 ILE A 20 -10.671 13.261 5.473 1.00 0.60 C ATOM 316 CG2 ILE A 20 -8.678 14.083 6.782 1.00 0.61 C ATOM 317 CD1 ILE A 20 -10.337 11.790 5.195 1.00 0.59 C ATOM 0 H ILE A 20 -9.956 15.024 3.010 1.00 0.46 H new ATOM 0 HA ILE A 20 -10.360 16.008 5.819 1.00 0.51 H new ATOM 0 HB ILE A 20 -8.718 13.691 4.664 1.00 0.53 H new ATOM 0 HG12 ILE A 20 -11.142 13.358 6.451 1.00 0.60 H new ATOM 0 HG13 ILE A 20 -11.387 13.626 4.737 1.00 0.60 H new ATOM 0 HG21 ILE A 20 -8.434 13.054 7.045 1.00 0.61 H new ATOM 0 HG22 ILE A 20 -7.762 14.672 6.730 1.00 0.61 H new ATOM 0 HG23 ILE A 20 -9.338 14.504 7.540 1.00 0.61 H new ATOM 0 HD11 ILE A 20 -11.250 11.196 5.232 1.00 0.59 H new ATOM 0 HD12 ILE A 20 -9.886 11.700 4.207 1.00 0.59 H new ATOM 0 HD13 ILE A 20 -9.637 11.427 5.948 1.00 0.59 H new ATOM 329 N LEU A 21 -8.080 17.111 5.977 1.00 0.51 N ATOM 330 CA LEU A 21 -6.808 17.896 5.939 1.00 0.49 C ATOM 331 C LEU A 21 -5.709 17.069 6.597 1.00 0.54 C ATOM 332 O LEU A 21 -5.743 16.811 7.784 1.00 0.65 O ATOM 333 CB LEU A 21 -6.942 19.208 6.722 1.00 0.54 C ATOM 334 CG LEU A 21 -7.894 20.190 6.022 1.00 0.50 C ATOM 335 CD1 LEU A 21 -7.287 20.668 4.696 1.00 0.42 C ATOM 336 CD2 LEU A 21 -9.252 19.519 5.765 1.00 0.51 C ATOM 0 H LEU A 21 -8.629 17.215 6.830 1.00 0.51 H new ATOM 0 HA LEU A 21 -6.574 18.124 4.899 1.00 0.49 H new ATOM 0 HB2 LEU A 21 -7.310 18.997 7.726 1.00 0.54 H new ATOM 0 HB3 LEU A 21 -5.960 19.668 6.832 1.00 0.54 H new ATOM 0 HG LEU A 21 -8.042 21.053 6.672 1.00 0.50 H new ATOM 0 HD11 LEU A 21 -7.973 21.363 4.212 1.00 0.42 H new ATOM 0 HD12 LEU A 21 -6.339 21.170 4.890 1.00 0.42 H new ATOM 0 HD13 LEU A 21 -7.118 19.811 4.044 1.00 0.42 H new ATOM 0 HD21 LEU A 21 -9.918 20.225 5.269 1.00 0.51 H new ATOM 0 HD22 LEU A 21 -9.111 18.644 5.130 1.00 0.51 H new ATOM 0 HD23 LEU A 21 -9.691 19.211 6.714 1.00 0.51 H new ATOM 348 N ARG A 22 -4.731 16.665 5.838 1.00 0.48 N ATOM 349 CA ARG A 22 -3.602 15.860 6.401 1.00 0.55 C ATOM 350 C ARG A 22 -2.343 16.718 6.351 1.00 0.61 C ATOM 351 O ARG A 22 -2.115 17.434 5.396 1.00 0.56 O ATOM 352 CB ARG A 22 -3.414 14.598 5.553 1.00 0.46 C ATOM 353 CG ARG A 22 -2.515 13.583 6.278 1.00 0.49 C ATOM 354 CD ARG A 22 -3.331 12.762 7.288 1.00 0.54 C ATOM 355 NE ARG A 22 -2.432 11.800 7.984 1.00 0.77 N ATOM 356 CZ ARG A 22 -2.834 11.204 9.073 1.00 1.26 C ATOM 357 NH1 ARG A 22 -4.022 11.454 9.553 1.00 2.22 N ATOM 358 NH2 ARG A 22 -2.048 10.359 9.682 1.00 1.37 N ATOM 0 H ARG A 22 -4.661 16.858 4.839 1.00 0.48 H new ATOM 0 HA ARG A 22 -3.809 15.564 7.429 1.00 0.55 H new ATOM 0 HB2 ARG A 22 -4.384 14.147 5.344 1.00 0.46 H new ATOM 0 HB3 ARG A 22 -2.971 14.862 4.593 1.00 0.46 H new ATOM 0 HG2 ARG A 22 -2.050 12.917 5.551 1.00 0.49 H new ATOM 0 HG3 ARG A 22 -1.709 14.106 6.793 1.00 0.49 H new ATOM 0 HD2 ARG A 22 -3.805 13.424 8.013 1.00 0.54 H new ATOM 0 HD3 ARG A 22 -4.130 12.225 6.776 1.00 0.54 H new ATOM 0 HE ARG A 22 -1.503 11.607 7.610 1.00 0.77 H new ATOM 0 HH11 ARG A 22 -4.636 12.115 9.077 1.00 2.22 H new ATOM 0 HH12 ARG A 22 -4.337 10.988 10.404 1.00 2.22 H new ATOM 0 HH21 ARG A 22 -1.120 10.165 9.307 1.00 1.37 H new ATOM 0 HH22 ARG A 22 -2.362 9.893 10.533 1.00 1.37 H new ATOM 372 N GLU A 23 -1.534 16.683 7.375 1.00 0.74 N ATOM 373 CA GLU A 23 -0.313 17.536 7.370 1.00 0.82 C ATOM 374 C GLU A 23 -0.738 18.963 7.024 1.00 0.78 C ATOM 375 O GLU A 23 -0.014 19.708 6.396 1.00 0.80 O ATOM 376 CB GLU A 23 0.677 17.021 6.322 1.00 0.83 C ATOM 377 CG GLU A 23 1.240 15.672 6.773 1.00 0.91 C ATOM 378 CD GLU A 23 2.226 15.888 7.923 1.00 1.49 C ATOM 379 OE1 GLU A 23 3.144 16.673 7.751 1.00 2.35 O ATOM 380 OE2 GLU A 23 2.046 15.265 8.956 1.00 1.86 O ATOM 0 H GLU A 23 -1.664 16.107 8.207 1.00 0.74 H new ATOM 0 HA GLU A 23 0.172 17.510 8.346 1.00 0.82 H new ATOM 0 HB2 GLU A 23 0.180 16.916 5.357 1.00 0.83 H new ATOM 0 HB3 GLU A 23 1.486 17.738 6.187 1.00 0.83 H new ATOM 0 HG2 GLU A 23 0.430 15.017 7.093 1.00 0.91 H new ATOM 0 HG3 GLU A 23 1.740 15.178 5.940 1.00 0.91 H new ATOM 387 N GLU A 24 -1.930 19.327 7.424 1.00 0.75 N ATOM 388 CA GLU A 24 -2.460 20.688 7.127 1.00 0.72 C ATOM 389 C GLU A 24 -2.625 20.852 5.614 1.00 0.61 C ATOM 390 O GLU A 24 -2.356 21.902 5.065 1.00 0.61 O ATOM 391 CB GLU A 24 -1.503 21.761 7.663 1.00 0.81 C ATOM 392 CG GLU A 24 -1.028 21.376 9.068 1.00 1.00 C ATOM 393 CD GLU A 24 -0.430 22.602 9.763 1.00 1.62 C ATOM 394 OE1 GLU A 24 0.484 23.187 9.206 1.00 2.31 O ATOM 395 OE2 GLU A 24 -0.898 22.936 10.839 1.00 2.09 O ATOM 0 H GLU A 24 -2.566 18.728 7.951 1.00 0.75 H new ATOM 0 HA GLU A 24 -3.427 20.806 7.615 1.00 0.72 H new ATOM 0 HB2 GLU A 24 -0.648 21.865 6.995 1.00 0.81 H new ATOM 0 HB3 GLU A 24 -2.005 22.728 7.691 1.00 0.81 H new ATOM 0 HG2 GLU A 24 -1.863 20.986 9.651 1.00 1.00 H new ATOM 0 HG3 GLU A 24 -0.284 20.582 9.006 1.00 1.00 H new ATOM 402 N SER A 25 -3.068 19.822 4.928 1.00 0.53 N ATOM 403 CA SER A 25 -3.248 19.934 3.446 1.00 0.44 C ATOM 404 C SER A 25 -4.418 19.027 2.978 1.00 0.34 C ATOM 405 O SER A 25 -4.537 17.918 3.458 1.00 0.35 O ATOM 406 CB SER A 25 -1.947 19.496 2.760 1.00 0.48 C ATOM 407 OG SER A 25 -0.842 19.890 3.562 1.00 0.57 O ATOM 0 H SER A 25 -3.311 18.916 5.328 1.00 0.53 H new ATOM 0 HA SER A 25 -3.482 20.965 3.182 1.00 0.44 H new ATOM 0 HB2 SER A 25 -1.942 18.415 2.618 1.00 0.48 H new ATOM 0 HB3 SER A 25 -1.873 19.947 1.771 1.00 0.48 H new ATOM 0 HG SER A 25 -0.008 19.611 3.129 1.00 0.57 H new ATOM 413 N PRO A 26 -5.248 19.498 2.050 1.00 0.27 N ATOM 414 CA PRO A 26 -6.379 18.688 1.544 1.00 0.20 C ATOM 415 C PRO A 26 -5.879 17.435 0.824 1.00 0.15 C ATOM 416 O PRO A 26 -5.123 17.514 -0.111 1.00 0.13 O ATOM 417 CB PRO A 26 -7.123 19.612 0.546 1.00 0.16 C ATOM 418 CG PRO A 26 -6.253 20.883 0.359 1.00 0.20 C ATOM 419 CD PRO A 26 -5.149 20.846 1.438 1.00 0.27 C ATOM 0 HA PRO A 26 -7.021 18.348 2.356 1.00 0.20 H new ATOM 0 HB2 PRO A 26 -7.274 19.106 -0.407 1.00 0.16 H new ATOM 0 HB3 PRO A 26 -8.110 19.874 0.927 1.00 0.16 H new ATOM 0 HG2 PRO A 26 -5.815 20.905 -0.639 1.00 0.20 H new ATOM 0 HG3 PRO A 26 -6.860 21.783 0.461 1.00 0.20 H new ATOM 0 HD2 PRO A 26 -4.164 21.008 1.000 1.00 0.27 H new ATOM 0 HD3 PRO A 26 -5.299 21.628 2.182 1.00 0.27 H new ATOM 427 N TYR A 27 -6.346 16.290 1.233 1.00 0.16 N ATOM 428 CA TYR A 27 -5.969 15.011 0.560 1.00 0.15 C ATOM 429 C TYR A 27 -7.279 14.381 0.084 1.00 0.17 C ATOM 430 O TYR A 27 -8.282 14.445 0.768 1.00 0.23 O ATOM 431 CB TYR A 27 -5.297 14.054 1.574 1.00 0.21 C ATOM 432 CG TYR A 27 -3.787 14.242 1.727 1.00 0.25 C ATOM 433 CD1 TYR A 27 -3.064 15.261 1.075 1.00 0.26 C ATOM 434 CD2 TYR A 27 -3.107 13.351 2.565 1.00 0.31 C ATOM 435 CE1 TYR A 27 -1.681 15.370 1.267 1.00 0.34 C ATOM 436 CE2 TYR A 27 -1.725 13.466 2.755 1.00 0.38 C ATOM 437 CZ TYR A 27 -1.013 14.475 2.104 1.00 0.40 C ATOM 438 OH TYR A 27 0.349 14.589 2.291 1.00 0.48 O ATOM 0 H TYR A 27 -6.986 16.182 2.020 1.00 0.16 H new ATOM 0 HA TYR A 27 -5.273 15.190 -0.260 1.00 0.15 H new ATOM 0 HB2 TYR A 27 -5.767 14.191 2.548 1.00 0.21 H new ATOM 0 HB3 TYR A 27 -5.492 13.026 1.267 1.00 0.21 H new ATOM 0 HD1 TYR A 27 -3.576 15.957 0.428 1.00 0.26 H new ATOM 0 HD2 TYR A 27 -3.653 12.568 3.070 1.00 0.31 H new ATOM 0 HE1 TYR A 27 -1.129 16.151 0.765 1.00 0.34 H new ATOM 0 HE2 TYR A 27 -1.210 12.774 3.405 1.00 0.38 H new ATOM 0 HH TYR A 27 0.655 13.888 2.904 1.00 0.48 H new ATOM 448 N CYS A 28 -7.294 13.767 -1.062 1.00 0.19 N ATOM 449 CA CYS A 28 -8.562 13.145 -1.517 1.00 0.26 C ATOM 450 C CYS A 28 -8.884 12.004 -0.563 1.00 0.30 C ATOM 451 O CYS A 28 -7.998 11.392 -0.005 1.00 0.28 O ATOM 452 CB CYS A 28 -8.419 12.613 -2.947 1.00 0.31 C ATOM 453 SG CYS A 28 -7.116 11.361 -3.015 1.00 0.31 S ATOM 0 H CYS A 28 -6.499 13.670 -1.693 1.00 0.19 H new ATOM 0 HA CYS A 28 -9.364 13.883 -1.517 1.00 0.26 H new ATOM 0 HB2 CYS A 28 -9.364 12.184 -3.280 1.00 0.31 H new ATOM 0 HB3 CYS A 28 -8.183 13.432 -3.626 1.00 0.31 H new ATOM 458 N VAL A 29 -10.138 11.716 -0.357 1.00 0.37 N ATOM 459 CA VAL A 29 -10.511 10.614 0.573 1.00 0.42 C ATOM 460 C VAL A 29 -9.604 9.409 0.322 1.00 0.39 C ATOM 461 O VAL A 29 -8.982 8.875 1.219 1.00 0.39 O ATOM 462 CB VAL A 29 -11.956 10.218 0.301 1.00 0.51 C ATOM 463 CG1 VAL A 29 -12.460 9.346 1.441 1.00 0.57 C ATOM 464 CG2 VAL A 29 -12.811 11.481 0.197 1.00 0.54 C ATOM 0 H VAL A 29 -10.924 12.198 -0.794 1.00 0.37 H new ATOM 0 HA VAL A 29 -10.399 10.943 1.606 1.00 0.42 H new ATOM 0 HB VAL A 29 -12.019 9.661 -0.634 1.00 0.51 H new ATOM 0 HG11 VAL A 29 -13.494 9.060 1.250 1.00 0.57 H new ATOM 0 HG12 VAL A 29 -11.843 8.450 1.514 1.00 0.57 H new ATOM 0 HG13 VAL A 29 -12.404 9.902 2.377 1.00 0.57 H new ATOM 0 HG21 VAL A 29 -13.847 11.204 0.002 1.00 0.54 H new ATOM 0 HG22 VAL A 29 -12.754 12.037 1.133 1.00 0.54 H new ATOM 0 HG23 VAL A 29 -12.443 12.104 -0.618 1.00 0.54 H new ATOM 474 N VAL A 30 -9.528 8.995 -0.906 1.00 0.40 N ATOM 475 CA VAL A 30 -8.670 7.840 -1.268 1.00 0.39 C ATOM 476 C VAL A 30 -7.288 7.985 -0.629 1.00 0.35 C ATOM 477 O VAL A 30 -6.816 7.092 0.043 1.00 0.37 O ATOM 478 CB VAL A 30 -8.521 7.789 -2.786 1.00 0.42 C ATOM 479 CG1 VAL A 30 -7.968 6.429 -3.196 1.00 0.46 C ATOM 480 CG2 VAL A 30 -9.888 8.001 -3.435 1.00 0.47 C ATOM 0 H VAL A 30 -10.032 9.415 -1.687 1.00 0.40 H new ATOM 0 HA VAL A 30 -9.132 6.922 -0.904 1.00 0.39 H new ATOM 0 HB VAL A 30 -7.837 8.572 -3.113 1.00 0.42 H new ATOM 0 HG11 VAL A 30 -7.861 6.391 -4.280 1.00 0.46 H new ATOM 0 HG12 VAL A 30 -6.995 6.277 -2.730 1.00 0.46 H new ATOM 0 HG13 VAL A 30 -8.652 5.645 -2.872 1.00 0.46 H new ATOM 0 HG21 VAL A 30 -9.785 7.965 -4.520 1.00 0.47 H new ATOM 0 HG22 VAL A 30 -10.571 7.217 -3.109 1.00 0.47 H new ATOM 0 HG23 VAL A 30 -10.284 8.973 -3.140 1.00 0.47 H new ATOM 490 N CYS A 31 -6.622 9.096 -0.840 1.00 0.32 N ATOM 491 CA CYS A 31 -5.263 9.267 -0.243 1.00 0.31 C ATOM 492 C CYS A 31 -5.298 8.842 1.229 1.00 0.31 C ATOM 493 O CYS A 31 -4.666 7.890 1.630 1.00 0.33 O ATOM 494 CB CYS A 31 -4.826 10.741 -0.331 1.00 0.28 C ATOM 495 SG CYS A 31 -3.826 11.005 -1.814 1.00 0.30 S ATOM 0 H CYS A 31 -6.958 9.883 -1.394 1.00 0.32 H new ATOM 0 HA CYS A 31 -4.554 8.649 -0.794 1.00 0.31 H new ATOM 0 HB2 CYS A 31 -5.703 11.388 -0.355 1.00 0.28 H new ATOM 0 HB3 CYS A 31 -4.254 11.012 0.556 1.00 0.28 H new ATOM 500 N PHE A 32 -6.035 9.553 2.031 1.00 0.31 N ATOM 501 CA PHE A 32 -6.109 9.204 3.480 1.00 0.34 C ATOM 502 C PHE A 32 -6.298 7.692 3.657 1.00 0.34 C ATOM 503 O PHE A 32 -5.641 7.070 4.470 1.00 0.36 O ATOM 504 CB PHE A 32 -7.287 9.949 4.119 1.00 0.36 C ATOM 505 CG PHE A 32 -7.236 9.790 5.620 1.00 0.41 C ATOM 506 CD1 PHE A 32 -7.664 8.595 6.213 1.00 0.43 C ATOM 507 CD2 PHE A 32 -6.761 10.837 6.420 1.00 0.45 C ATOM 508 CE1 PHE A 32 -7.617 8.448 7.604 1.00 0.48 C ATOM 509 CE2 PHE A 32 -6.713 10.690 7.811 1.00 0.51 C ATOM 510 CZ PHE A 32 -7.141 9.495 8.403 1.00 0.52 C ATOM 0 H PHE A 32 -6.590 10.361 1.749 1.00 0.31 H new ATOM 0 HA PHE A 32 -5.178 9.498 3.965 1.00 0.34 H new ATOM 0 HB2 PHE A 32 -7.248 11.006 3.854 1.00 0.36 H new ATOM 0 HB3 PHE A 32 -8.229 9.558 3.734 1.00 0.36 H new ATOM 0 HD1 PHE A 32 -8.030 7.787 5.597 1.00 0.43 H new ATOM 0 HD2 PHE A 32 -6.432 11.758 5.963 1.00 0.45 H new ATOM 0 HE1 PHE A 32 -7.948 7.527 8.061 1.00 0.48 H new ATOM 0 HE2 PHE A 32 -6.346 11.497 8.427 1.00 0.51 H new ATOM 0 HZ PHE A 32 -7.104 9.381 9.476 1.00 0.52 H new ATOM 520 N GLU A 33 -7.194 7.095 2.919 1.00 0.35 N ATOM 521 CA GLU A 33 -7.423 5.634 3.070 1.00 0.36 C ATOM 522 C GLU A 33 -6.236 4.836 2.519 1.00 0.36 C ATOM 523 O GLU A 33 -5.566 4.132 3.243 1.00 0.37 O ATOM 524 CB GLU A 33 -8.688 5.259 2.307 1.00 0.40 C ATOM 525 CG GLU A 33 -9.880 5.982 2.936 1.00 0.43 C ATOM 526 CD GLU A 33 -10.312 5.259 4.214 1.00 1.08 C ATOM 527 OE1 GLU A 33 -10.918 4.206 4.100 1.00 1.91 O ATOM 528 OE2 GLU A 33 -10.030 5.770 5.285 1.00 1.52 O ATOM 0 H GLU A 33 -7.775 7.557 2.220 1.00 0.35 H new ATOM 0 HA GLU A 33 -7.531 5.396 4.128 1.00 0.36 H new ATOM 0 HB2 GLU A 33 -8.591 5.536 1.257 1.00 0.40 H new ATOM 0 HB3 GLU A 33 -8.842 4.180 2.339 1.00 0.40 H new ATOM 0 HG2 GLU A 33 -9.612 7.014 3.164 1.00 0.43 H new ATOM 0 HG3 GLU A 33 -10.709 6.017 2.230 1.00 0.43 H new ATOM 535 N THR A 34 -5.980 4.926 1.244 1.00 0.37 N ATOM 536 CA THR A 34 -4.851 4.150 0.647 1.00 0.39 C ATOM 537 C THR A 34 -3.556 4.365 1.447 1.00 0.39 C ATOM 538 O THR A 34 -2.818 3.436 1.709 1.00 0.40 O ATOM 539 CB THR A 34 -4.662 4.576 -0.822 1.00 0.42 C ATOM 540 OG1 THR A 34 -4.099 3.498 -1.555 1.00 0.46 O ATOM 541 CG2 THR A 34 -3.743 5.796 -0.934 1.00 0.42 C ATOM 0 H THR A 34 -6.503 5.504 0.586 1.00 0.37 H new ATOM 0 HA THR A 34 -5.089 3.087 0.685 1.00 0.39 H new ATOM 0 HB THR A 34 -5.638 4.843 -1.228 1.00 0.42 H new ATOM 0 HG1 THR A 34 -3.979 3.766 -2.490 1.00 0.46 H new ATOM 0 HG21 THR A 34 -3.630 6.071 -1.983 1.00 0.42 H new ATOM 0 HG22 THR A 34 -4.178 6.631 -0.384 1.00 0.42 H new ATOM 0 HG23 THR A 34 -2.766 5.555 -0.515 1.00 0.42 H new ATOM 549 N LEU A 35 -3.264 5.581 1.811 1.00 0.38 N ATOM 550 CA LEU A 35 -2.005 5.854 2.563 1.00 0.40 C ATOM 551 C LEU A 35 -1.935 5.017 3.844 1.00 0.41 C ATOM 552 O LEU A 35 -0.986 4.292 4.069 1.00 0.44 O ATOM 553 CB LEU A 35 -1.953 7.333 2.951 1.00 0.40 C ATOM 554 CG LEU A 35 -1.799 8.219 1.704 1.00 0.41 C ATOM 555 CD1 LEU A 35 -2.153 9.660 2.072 1.00 0.40 C ATOM 556 CD2 LEU A 35 -0.352 8.168 1.182 1.00 0.48 C ATOM 0 H LEU A 35 -3.842 6.400 1.621 1.00 0.38 H new ATOM 0 HA LEU A 35 -1.165 5.593 1.919 1.00 0.40 H new ATOM 0 HB2 LEU A 35 -2.863 7.605 3.486 1.00 0.40 H new ATOM 0 HB3 LEU A 35 -1.119 7.506 3.631 1.00 0.40 H new ATOM 0 HG LEU A 35 -2.466 7.854 0.923 1.00 0.41 H new ATOM 0 HD11 LEU A 35 -2.047 10.296 1.194 1.00 0.40 H new ATOM 0 HD12 LEU A 35 -3.182 9.702 2.428 1.00 0.40 H new ATOM 0 HD13 LEU A 35 -1.483 10.010 2.857 1.00 0.40 H new ATOM 0 HD21 LEU A 35 -0.261 8.801 0.299 1.00 0.48 H new ATOM 0 HD22 LEU A 35 0.327 8.526 1.956 1.00 0.48 H new ATOM 0 HD23 LEU A 35 -0.096 7.141 0.920 1.00 0.48 H new ATOM 568 N PHE A 36 -2.908 5.145 4.707 1.00 0.39 N ATOM 569 CA PHE A 36 -2.875 4.395 6.006 1.00 0.41 C ATOM 570 C PHE A 36 -3.709 3.104 5.940 1.00 0.39 C ATOM 571 O PHE A 36 -3.774 2.359 6.898 1.00 0.40 O ATOM 572 CB PHE A 36 -3.430 5.312 7.105 1.00 0.45 C ATOM 573 CG PHE A 36 -3.066 6.753 6.805 1.00 0.47 C ATOM 574 CD1 PHE A 36 -1.798 7.073 6.297 1.00 0.48 C ATOM 575 CD2 PHE A 36 -4.001 7.769 7.034 1.00 0.49 C ATOM 576 CE1 PHE A 36 -1.471 8.405 6.019 1.00 0.52 C ATOM 577 CE2 PHE A 36 -3.672 9.101 6.754 1.00 0.52 C ATOM 578 CZ PHE A 36 -2.407 9.418 6.247 1.00 0.53 C ATOM 0 H PHE A 36 -3.728 5.737 4.572 1.00 0.39 H new ATOM 0 HA PHE A 36 -1.846 4.108 6.220 1.00 0.41 H new ATOM 0 HB2 PHE A 36 -4.513 5.206 7.167 1.00 0.45 H new ATOM 0 HB3 PHE A 36 -3.025 5.019 8.074 1.00 0.45 H new ATOM 0 HD1 PHE A 36 -1.074 6.291 6.120 1.00 0.48 H new ATOM 0 HD2 PHE A 36 -4.977 7.525 7.427 1.00 0.49 H new ATOM 0 HE1 PHE A 36 -0.495 8.651 5.628 1.00 0.52 H new ATOM 0 HE2 PHE A 36 -4.395 9.884 6.929 1.00 0.52 H new ATOM 0 HZ PHE A 36 -2.154 10.446 6.032 1.00 0.53 H new ATOM 588 N ALA A 37 -4.348 2.829 4.842 1.00 0.36 N ATOM 589 CA ALA A 37 -5.171 1.583 4.760 1.00 0.34 C ATOM 590 C ALA A 37 -4.270 0.352 4.922 1.00 0.29 C ATOM 591 O ALA A 37 -3.071 0.415 4.737 1.00 0.31 O ATOM 592 CB ALA A 37 -5.886 1.521 3.407 1.00 0.38 C ATOM 0 H ALA A 37 -4.340 3.405 4.000 1.00 0.36 H new ATOM 0 HA ALA A 37 -5.912 1.594 5.559 1.00 0.34 H new ATOM 0 HB1 ALA A 37 -6.484 0.611 3.353 1.00 0.38 H new ATOM 0 HB2 ALA A 37 -6.536 2.389 3.299 1.00 0.38 H new ATOM 0 HB3 ALA A 37 -5.148 1.518 2.605 1.00 0.38 H new ATOM 598 N ASN A 38 -4.851 -0.769 5.263 1.00 0.26 N ATOM 599 CA ASN A 38 -4.056 -2.019 5.440 1.00 0.24 C ATOM 600 C ASN A 38 -3.973 -2.762 4.105 1.00 0.23 C ATOM 601 O ASN A 38 -4.818 -2.609 3.251 1.00 0.24 O ATOM 602 CB ASN A 38 -4.746 -2.911 6.471 1.00 0.23 C ATOM 603 CG ASN A 38 -4.501 -2.358 7.877 1.00 0.36 C ATOM 604 OD1 ASN A 38 -5.427 -1.963 8.557 1.00 1.10 O ATOM 605 ND2 ASN A 38 -3.283 -2.312 8.344 1.00 1.22 N ATOM 0 H ASN A 38 -5.852 -0.872 5.428 1.00 0.26 H new ATOM 0 HA ASN A 38 -3.052 -1.769 5.782 1.00 0.24 H new ATOM 0 HB2 ASN A 38 -5.816 -2.956 6.269 1.00 0.23 H new ATOM 0 HB3 ASN A 38 -4.364 -3.929 6.399 1.00 0.23 H new ATOM 0 HD21 ASN A 38 -3.109 -1.945 9.279 1.00 1.22 H new ATOM 0 HD22 ASN A 38 -2.505 -2.644 7.773 1.00 1.22 H new ATOM 612 N THR A 39 -2.955 -3.561 3.914 1.00 0.28 N ATOM 613 CA THR A 39 -2.818 -4.311 2.626 1.00 0.33 C ATOM 614 C THR A 39 -3.467 -5.696 2.747 1.00 0.29 C ATOM 615 O THR A 39 -3.319 -6.377 3.742 1.00 0.28 O ATOM 616 CB THR A 39 -1.329 -4.487 2.300 1.00 0.43 C ATOM 617 OG1 THR A 39 -0.638 -3.278 2.583 1.00 0.48 O ATOM 618 CG2 THR A 39 -1.166 -4.837 0.819 1.00 0.50 C ATOM 0 H THR A 39 -2.212 -3.728 4.593 1.00 0.28 H new ATOM 0 HA THR A 39 -3.314 -3.749 1.835 1.00 0.33 H new ATOM 0 HB THR A 39 -0.916 -5.292 2.908 1.00 0.43 H new ATOM 0 HG1 THR A 39 0.314 -3.389 2.377 1.00 0.48 H new ATOM 0 HG21 THR A 39 -0.108 -4.962 0.589 1.00 0.50 H new ATOM 0 HG22 THR A 39 -1.696 -5.765 0.604 1.00 0.50 H new ATOM 0 HG23 THR A 39 -1.578 -4.034 0.208 1.00 0.50 H new ATOM 626 N CYS A 40 -4.164 -6.125 1.726 1.00 0.31 N ATOM 627 CA CYS A 40 -4.801 -7.476 1.760 1.00 0.32 C ATOM 628 C CYS A 40 -3.815 -8.485 1.181 1.00 0.42 C ATOM 629 O CYS A 40 -3.626 -8.583 -0.013 1.00 0.51 O ATOM 630 CB CYS A 40 -6.089 -7.460 0.931 1.00 0.36 C ATOM 631 SG CYS A 40 -6.609 -9.152 0.562 1.00 0.45 S ATOM 0 H CYS A 40 -4.320 -5.596 0.868 1.00 0.31 H new ATOM 0 HA CYS A 40 -5.053 -7.751 2.784 1.00 0.32 H new ATOM 0 HB2 CYS A 40 -6.876 -6.940 1.477 1.00 0.36 H new ATOM 0 HB3 CYS A 40 -5.928 -6.910 0.004 1.00 0.36 H new ATOM 636 N GLU A 41 -3.176 -9.221 2.035 1.00 0.43 N ATOM 637 CA GLU A 41 -2.176 -10.224 1.581 1.00 0.54 C ATOM 638 C GLU A 41 -2.702 -11.005 0.373 1.00 0.61 C ATOM 639 O GLU A 41 -1.944 -11.614 -0.357 1.00 0.71 O ATOM 640 CB GLU A 41 -1.894 -11.180 2.736 1.00 0.56 C ATOM 641 CG GLU A 41 -1.439 -10.371 3.956 1.00 0.53 C ATOM 642 CD GLU A 41 -1.225 -11.311 5.144 1.00 0.57 C ATOM 643 OE1 GLU A 41 -0.149 -11.879 5.238 1.00 1.29 O ATOM 644 OE2 GLU A 41 -2.139 -11.448 5.939 1.00 1.15 O ATOM 0 H GLU A 41 -3.304 -9.172 3.046 1.00 0.43 H new ATOM 0 HA GLU A 41 -1.261 -9.715 1.280 1.00 0.54 H new ATOM 0 HB2 GLU A 41 -2.789 -11.753 2.977 1.00 0.56 H new ATOM 0 HB3 GLU A 41 -1.124 -11.897 2.451 1.00 0.56 H new ATOM 0 HG2 GLU A 41 -0.515 -9.840 3.729 1.00 0.53 H new ATOM 0 HG3 GLU A 41 -2.187 -9.618 4.205 1.00 0.53 H new ATOM 651 N GLU A 42 -3.989 -10.997 0.149 1.00 0.57 N ATOM 652 CA GLU A 42 -4.548 -11.746 -1.021 1.00 0.66 C ATOM 653 C GLU A 42 -4.565 -10.832 -2.253 1.00 0.71 C ATOM 654 O GLU A 42 -3.966 -11.132 -3.267 1.00 0.80 O ATOM 655 CB GLU A 42 -5.976 -12.213 -0.698 1.00 0.65 C ATOM 656 CG GLU A 42 -6.358 -13.391 -1.597 1.00 0.76 C ATOM 657 CD GLU A 42 -6.336 -12.947 -3.061 1.00 0.84 C ATOM 658 OE1 GLU A 42 -7.320 -12.376 -3.501 1.00 1.38 O ATOM 659 OE2 GLU A 42 -5.335 -13.185 -3.717 1.00 1.34 O ATOM 0 H GLU A 42 -4.677 -10.507 0.721 1.00 0.57 H new ATOM 0 HA GLU A 42 -3.925 -12.616 -1.228 1.00 0.66 H new ATOM 0 HB2 GLU A 42 -6.043 -12.508 0.349 1.00 0.65 H new ATOM 0 HB3 GLU A 42 -6.678 -11.392 -0.843 1.00 0.65 H new ATOM 0 HG2 GLU A 42 -5.663 -14.217 -1.446 1.00 0.76 H new ATOM 0 HG3 GLU A 42 -7.350 -13.757 -1.332 1.00 0.76 H new ATOM 666 N CYS A 43 -5.247 -9.721 -2.175 1.00 0.66 N ATOM 667 CA CYS A 43 -5.300 -8.793 -3.343 1.00 0.72 C ATOM 668 C CYS A 43 -3.997 -8.001 -3.429 1.00 0.72 C ATOM 669 O CYS A 43 -3.449 -7.798 -4.494 1.00 0.80 O ATOM 670 CB CYS A 43 -6.461 -7.811 -3.166 1.00 0.69 C ATOM 671 SG CYS A 43 -8.007 -8.724 -2.960 1.00 0.71 S ATOM 0 H CYS A 43 -5.770 -9.415 -1.354 1.00 0.66 H new ATOM 0 HA CYS A 43 -5.441 -9.375 -4.254 1.00 0.72 H new ATOM 0 HB2 CYS A 43 -6.284 -7.177 -2.298 1.00 0.69 H new ATOM 0 HB3 CYS A 43 -6.529 -7.153 -4.033 1.00 0.69 H new ATOM 676 N GLY A 44 -3.502 -7.540 -2.312 1.00 0.64 N ATOM 677 CA GLY A 44 -2.239 -6.745 -2.316 1.00 0.66 C ATOM 678 C GLY A 44 -2.592 -5.259 -2.378 1.00 0.64 C ATOM 679 O GLY A 44 -1.744 -4.401 -2.226 1.00 0.66 O ATOM 0 H GLY A 44 -3.920 -7.680 -1.392 1.00 0.64 H new ATOM 0 HA2 GLY A 44 -1.657 -6.957 -1.419 1.00 0.66 H new ATOM 0 HA3 GLY A 44 -1.621 -7.022 -3.170 1.00 0.66 H new ATOM 683 N LYS A 45 -3.844 -4.948 -2.598 1.00 0.61 N ATOM 684 CA LYS A 45 -4.268 -3.518 -2.670 1.00 0.60 C ATOM 685 C LYS A 45 -4.709 -3.060 -1.264 1.00 0.50 C ATOM 686 O LYS A 45 -5.161 -3.877 -0.487 1.00 0.45 O ATOM 687 CB LYS A 45 -5.452 -3.398 -3.639 1.00 0.67 C ATOM 688 CG LYS A 45 -4.944 -3.430 -5.083 1.00 1.32 C ATOM 689 CD LYS A 45 -6.115 -3.694 -6.036 1.00 1.79 C ATOM 690 CE LYS A 45 -7.107 -2.525 -5.983 1.00 2.31 C ATOM 691 NZ LYS A 45 -7.979 -2.666 -4.783 1.00 2.83 N ATOM 0 H LYS A 45 -4.594 -5.627 -2.731 1.00 0.61 H new ATOM 0 HA LYS A 45 -3.443 -2.897 -3.020 1.00 0.60 H new ATOM 0 HB2 LYS A 45 -6.155 -4.215 -3.473 1.00 0.67 H new ATOM 0 HB3 LYS A 45 -5.993 -2.470 -3.454 1.00 0.67 H new ATOM 0 HG2 LYS A 45 -4.466 -2.482 -5.332 1.00 1.32 H new ATOM 0 HG3 LYS A 45 -4.188 -4.207 -5.196 1.00 1.32 H new ATOM 0 HD2 LYS A 45 -5.745 -3.822 -7.053 1.00 1.79 H new ATOM 0 HD3 LYS A 45 -6.617 -4.621 -5.760 1.00 1.79 H new ATOM 0 HE2 LYS A 45 -6.568 -1.578 -5.945 1.00 2.31 H new ATOM 0 HE3 LYS A 45 -7.715 -2.509 -6.887 1.00 2.31 H new ATOM 0 HZ1 LYS A 45 -8.974 -2.550 -5.062 1.00 2.83 H new ATOM 0 HZ2 LYS A 45 -7.844 -3.608 -4.365 1.00 2.83 H new ATOM 0 HZ3 LYS A 45 -7.728 -1.938 -4.084 1.00 2.83 H new ATOM 705 N PRO A 46 -4.584 -1.778 -0.960 1.00 0.48 N ATOM 706 CA PRO A 46 -4.996 -1.269 0.360 1.00 0.39 C ATOM 707 C PRO A 46 -6.482 -1.585 0.613 1.00 0.37 C ATOM 708 O PRO A 46 -7.301 -1.511 -0.281 1.00 0.44 O ATOM 709 CB PRO A 46 -4.755 0.260 0.291 1.00 0.43 C ATOM 710 CG PRO A 46 -4.160 0.581 -1.107 1.00 0.52 C ATOM 711 CD PRO A 46 -4.037 -0.750 -1.874 1.00 0.55 C ATOM 0 HA PRO A 46 -4.439 -1.728 1.177 1.00 0.39 H new ATOM 0 HB2 PRO A 46 -5.689 0.802 0.443 1.00 0.43 H new ATOM 0 HB3 PRO A 46 -4.072 0.576 1.079 1.00 0.43 H new ATOM 0 HG2 PRO A 46 -4.803 1.277 -1.647 1.00 0.52 H new ATOM 0 HG3 PRO A 46 -3.185 1.058 -1.008 1.00 0.52 H new ATOM 0 HD2 PRO A 46 -4.595 -0.718 -2.810 1.00 0.55 H new ATOM 0 HD3 PRO A 46 -2.999 -0.963 -2.129 1.00 0.55 H new ATOM 719 N ILE A 47 -6.833 -1.917 1.831 1.00 0.30 N ATOM 720 CA ILE A 47 -8.263 -2.217 2.154 1.00 0.32 C ATOM 721 C ILE A 47 -8.895 -0.965 2.764 1.00 0.35 C ATOM 722 O ILE A 47 -8.647 -0.625 3.904 1.00 0.33 O ATOM 723 CB ILE A 47 -8.337 -3.369 3.161 1.00 0.27 C ATOM 724 CG1 ILE A 47 -7.439 -4.521 2.687 1.00 0.24 C ATOM 725 CG2 ILE A 47 -9.784 -3.863 3.267 1.00 0.37 C ATOM 726 CD1 ILE A 47 -7.512 -5.697 3.673 1.00 0.22 C ATOM 0 H ILE A 47 -6.189 -1.993 2.618 1.00 0.30 H new ATOM 0 HA ILE A 47 -8.796 -2.505 1.248 1.00 0.32 H new ATOM 0 HB ILE A 47 -7.999 -3.020 4.137 1.00 0.27 H new ATOM 0 HG12 ILE A 47 -7.751 -4.849 1.696 1.00 0.24 H new ATOM 0 HG13 ILE A 47 -6.409 -4.175 2.599 1.00 0.24 H new ATOM 0 HG21 ILE A 47 -9.837 -4.683 3.983 1.00 0.37 H new ATOM 0 HG22 ILE A 47 -10.424 -3.046 3.602 1.00 0.37 H new ATOM 0 HG23 ILE A 47 -10.122 -4.212 2.291 1.00 0.37 H new ATOM 0 HD11 ILE A 47 -6.870 -6.506 3.323 1.00 0.22 H new ATOM 0 HD12 ILE A 47 -7.178 -5.368 4.657 1.00 0.22 H new ATOM 0 HD13 ILE A 47 -8.540 -6.053 3.739 1.00 0.22 H new ATOM 738 N GLY A 48 -9.701 -0.270 2.012 1.00 0.42 N ATOM 739 CA GLY A 48 -10.337 0.968 2.546 1.00 0.47 C ATOM 740 C GLY A 48 -11.181 0.626 3.775 1.00 0.58 C ATOM 741 O GLY A 48 -11.897 -0.355 3.796 1.00 0.62 O ATOM 0 H GLY A 48 -9.948 -0.505 1.051 1.00 0.42 H new ATOM 0 HA2 GLY A 48 -9.571 1.697 2.811 1.00 0.47 H new ATOM 0 HA3 GLY A 48 -10.962 1.427 1.780 1.00 0.47 H new ATOM 745 N CYS A 49 -11.101 1.430 4.799 1.00 0.73 N ATOM 746 CA CYS A 49 -11.898 1.154 6.027 1.00 0.92 C ATOM 747 C CYS A 49 -13.389 1.226 5.692 1.00 1.05 C ATOM 748 O CYS A 49 -14.221 0.693 6.399 1.00 1.19 O ATOM 749 CB CYS A 49 -11.565 2.196 7.097 1.00 1.09 C ATOM 750 SG CYS A 49 -12.601 1.917 8.555 1.00 2.27 S ATOM 0 H CYS A 49 -10.518 2.266 4.838 1.00 0.73 H new ATOM 0 HA CYS A 49 -11.656 0.159 6.402 1.00 0.92 H new ATOM 0 HB2 CYS A 49 -10.511 2.130 7.368 1.00 1.09 H new ATOM 0 HB3 CYS A 49 -11.731 3.200 6.706 1.00 1.09 H new ATOM 0 HG CYS A 49 -13.686 1.293 8.203 1.00 2.27 H new ATOM 756 N ASP A 50 -13.733 1.880 4.617 1.00 1.06 N ATOM 757 CA ASP A 50 -15.169 1.985 4.235 1.00 1.26 C ATOM 758 C ASP A 50 -15.633 0.654 3.640 1.00 1.20 C ATOM 759 O ASP A 50 -16.532 0.607 2.825 1.00 1.40 O ATOM 760 CB ASP A 50 -15.343 3.096 3.198 1.00 1.37 C ATOM 761 CG ASP A 50 -14.905 4.432 3.801 1.00 2.11 C ATOM 762 OD1 ASP A 50 -15.717 5.054 4.467 1.00 2.78 O ATOM 763 OD2 ASP A 50 -13.765 4.811 3.587 1.00 2.74 O ATOM 0 H ASP A 50 -13.081 2.346 3.986 1.00 1.06 H new ATOM 0 HA ASP A 50 -15.765 2.218 5.118 1.00 1.26 H new ATOM 0 HB2 ASP A 50 -14.751 2.875 2.310 1.00 1.37 H new ATOM 0 HB3 ASP A 50 -16.384 3.152 2.881 1.00 1.37 H new ATOM 768 N CYS A 51 -15.023 -0.430 4.042 1.00 1.02 N ATOM 769 CA CYS A 51 -15.422 -1.764 3.503 1.00 1.00 C ATOM 770 C CYS A 51 -15.205 -2.831 4.578 1.00 0.94 C ATOM 771 O CYS A 51 -14.805 -2.536 5.687 1.00 0.94 O ATOM 772 CB CYS A 51 -14.567 -2.094 2.277 1.00 0.95 C ATOM 773 SG CYS A 51 -14.931 -0.915 0.953 1.00 1.39 S ATOM 0 H CYS A 51 -14.263 -0.449 4.722 1.00 1.02 H new ATOM 0 HA CYS A 51 -16.474 -1.743 3.218 1.00 1.00 H new ATOM 0 HB2 CYS A 51 -13.509 -2.051 2.536 1.00 0.95 H new ATOM 0 HB3 CYS A 51 -14.772 -3.110 1.940 1.00 0.95 H new ATOM 0 HG CYS A 51 -15.848 -0.084 1.352 1.00 1.39 H new ATOM 779 N LYS A 52 -15.468 -4.069 4.260 1.00 0.96 N ATOM 780 CA LYS A 52 -15.280 -5.153 5.265 1.00 0.96 C ATOM 781 C LYS A 52 -13.791 -5.496 5.386 1.00 0.81 C ATOM 782 O LYS A 52 -13.239 -6.216 4.579 1.00 0.81 O ATOM 783 CB LYS A 52 -16.073 -6.400 4.841 1.00 1.11 C ATOM 784 CG LYS A 52 -15.685 -6.834 3.408 1.00 1.64 C ATOM 785 CD LYS A 52 -16.854 -7.596 2.742 1.00 2.23 C ATOM 786 CE LYS A 52 -17.772 -6.617 1.995 1.00 2.75 C ATOM 787 NZ LYS A 52 -17.892 -5.349 2.768 1.00 3.01 N ATOM 0 H LYS A 52 -15.805 -4.377 3.348 1.00 0.96 H new ATOM 0 HA LYS A 52 -15.646 -4.811 6.233 1.00 0.96 H new ATOM 0 HB2 LYS A 52 -15.879 -7.215 5.538 1.00 1.11 H new ATOM 0 HB3 LYS A 52 -17.142 -6.190 4.886 1.00 1.11 H new ATOM 0 HG2 LYS A 52 -15.427 -5.958 2.813 1.00 1.64 H new ATOM 0 HG3 LYS A 52 -14.800 -7.469 3.440 1.00 1.64 H new ATOM 0 HD2 LYS A 52 -16.463 -8.340 2.048 1.00 2.23 H new ATOM 0 HD3 LYS A 52 -17.424 -8.134 3.499 1.00 2.23 H new ATOM 0 HE2 LYS A 52 -17.370 -6.412 1.003 1.00 2.75 H new ATOM 0 HE3 LYS A 52 -18.757 -7.063 1.854 1.00 2.75 H new ATOM 0 HZ1 LYS A 52 -18.695 -4.796 2.405 1.00 3.01 H new ATOM 0 HZ2 LYS A 52 -18.048 -5.568 3.773 1.00 3.01 H new ATOM 0 HZ3 LYS A 52 -17.017 -4.796 2.666 1.00 3.01 H new ATOM 801 N ASP A 53 -13.135 -4.981 6.395 1.00 0.73 N ATOM 802 CA ASP A 53 -11.680 -5.272 6.583 1.00 0.59 C ATOM 803 C ASP A 53 -11.520 -6.381 7.624 1.00 0.61 C ATOM 804 O ASP A 53 -11.611 -6.147 8.813 1.00 0.75 O ATOM 805 CB ASP A 53 -10.969 -4.009 7.074 1.00 0.59 C ATOM 806 CG ASP A 53 -11.607 -3.539 8.383 1.00 0.72 C ATOM 807 OD1 ASP A 53 -12.802 -3.727 8.537 1.00 1.34 O ATOM 808 OD2 ASP A 53 -10.889 -2.999 9.208 1.00 1.24 O ATOM 0 H ASP A 53 -13.546 -4.369 7.100 1.00 0.73 H new ATOM 0 HA ASP A 53 -11.244 -5.591 5.636 1.00 0.59 H new ATOM 0 HB2 ASP A 53 -9.909 -4.212 7.226 1.00 0.59 H new ATOM 0 HB3 ASP A 53 -11.038 -3.224 6.321 1.00 0.59 H new ATOM 813 N LEU A 54 -11.291 -7.590 7.189 1.00 0.53 N ATOM 814 CA LEU A 54 -11.135 -8.711 8.158 1.00 0.57 C ATOM 815 C LEU A 54 -9.761 -8.595 8.837 1.00 0.53 C ATOM 816 O LEU A 54 -8.744 -8.554 8.177 1.00 0.45 O ATOM 817 CB LEU A 54 -11.236 -10.055 7.387 1.00 0.57 C ATOM 818 CG LEU A 54 -11.913 -11.221 8.200 1.00 0.67 C ATOM 819 CD1 LEU A 54 -11.167 -12.534 7.952 1.00 0.65 C ATOM 820 CD2 LEU A 54 -11.954 -10.974 9.722 1.00 0.74 C ATOM 0 H LEU A 54 -11.205 -7.849 6.206 1.00 0.53 H new ATOM 0 HA LEU A 54 -11.915 -8.670 8.918 1.00 0.57 H new ATOM 0 HB2 LEU A 54 -11.801 -9.892 6.469 1.00 0.57 H new ATOM 0 HB3 LEU A 54 -10.234 -10.367 7.093 1.00 0.57 H new ATOM 0 HG LEU A 54 -12.942 -11.270 7.844 1.00 0.67 H new ATOM 0 HD11 LEU A 54 -11.642 -13.335 8.518 1.00 0.65 H new ATOM 0 HD12 LEU A 54 -11.197 -12.774 6.889 1.00 0.65 H new ATOM 0 HD13 LEU A 54 -10.130 -12.429 8.272 1.00 0.65 H new ATOM 0 HD21 LEU A 54 -12.434 -11.819 10.215 1.00 0.74 H new ATOM 0 HD22 LEU A 54 -10.938 -10.863 10.100 1.00 0.74 H new ATOM 0 HD23 LEU A 54 -12.519 -10.065 9.928 1.00 0.74 H new ATOM 832 N SER A 55 -9.728 -8.558 10.146 1.00 0.61 N ATOM 833 CA SER A 55 -8.425 -8.460 10.880 1.00 0.62 C ATOM 834 C SER A 55 -8.184 -9.760 11.649 1.00 0.69 C ATOM 835 O SER A 55 -9.033 -10.227 12.382 1.00 0.77 O ATOM 836 CB SER A 55 -8.482 -7.298 11.870 1.00 0.69 C ATOM 837 OG SER A 55 -7.562 -7.537 12.926 1.00 1.43 O ATOM 0 H SER A 55 -10.554 -8.592 10.744 1.00 0.61 H new ATOM 0 HA SER A 55 -7.617 -8.293 10.167 1.00 0.62 H new ATOM 0 HB2 SER A 55 -8.240 -6.363 11.365 1.00 0.69 H new ATOM 0 HB3 SER A 55 -9.491 -7.193 12.268 1.00 0.69 H new ATOM 0 HG SER A 55 -7.594 -6.793 13.563 1.00 1.43 H new ATOM 843 N TYR A 56 -7.030 -10.346 11.488 1.00 0.68 N ATOM 844 CA TYR A 56 -6.728 -11.618 12.211 1.00 0.77 C ATOM 845 C TYR A 56 -5.205 -11.762 12.362 1.00 0.81 C ATOM 846 O TYR A 56 -4.457 -11.460 11.460 1.00 0.75 O ATOM 847 CB TYR A 56 -7.306 -12.808 11.413 1.00 0.72 C ATOM 848 CG TYR A 56 -7.725 -13.912 12.364 1.00 0.81 C ATOM 849 CD1 TYR A 56 -6.755 -14.723 12.956 1.00 0.86 C ATOM 850 CD2 TYR A 56 -9.079 -14.116 12.656 1.00 0.87 C ATOM 851 CE1 TYR A 56 -7.132 -15.740 13.840 1.00 0.95 C ATOM 852 CE2 TYR A 56 -9.458 -15.133 13.540 1.00 0.97 C ATOM 853 CZ TYR A 56 -8.484 -15.945 14.132 1.00 1.00 C ATOM 854 OH TYR A 56 -8.858 -16.947 15.004 1.00 1.10 O ATOM 0 H TYR A 56 -6.281 -10.001 10.887 1.00 0.68 H new ATOM 0 HA TYR A 56 -7.183 -11.604 13.201 1.00 0.77 H new ATOM 0 HB2 TYR A 56 -8.162 -12.480 10.823 1.00 0.72 H new ATOM 0 HB3 TYR A 56 -6.561 -13.183 10.712 1.00 0.72 H new ATOM 0 HD1 TYR A 56 -5.711 -14.565 12.731 1.00 0.86 H new ATOM 0 HD2 TYR A 56 -9.831 -13.489 12.199 1.00 0.87 H new ATOM 0 HE1 TYR A 56 -6.379 -16.366 14.296 1.00 0.95 H new ATOM 0 HE2 TYR A 56 -10.502 -15.291 13.765 1.00 0.97 H new ATOM 0 HH TYR A 56 -9.834 -16.952 15.097 1.00 1.10 H new ATOM 864 N LYS A 57 -4.745 -12.217 13.496 1.00 0.96 N ATOM 865 CA LYS A 57 -3.276 -12.374 13.703 1.00 1.04 C ATOM 866 C LYS A 57 -2.557 -11.082 13.292 1.00 0.97 C ATOM 867 O LYS A 57 -1.591 -11.100 12.561 1.00 0.95 O ATOM 868 CB LYS A 57 -2.766 -13.548 12.862 1.00 1.05 C ATOM 869 CG LYS A 57 -1.353 -13.948 13.316 1.00 1.18 C ATOM 870 CD LYS A 57 -0.917 -15.248 12.612 1.00 1.29 C ATOM 871 CE LYS A 57 -1.423 -16.472 13.388 1.00 1.60 C ATOM 872 NZ LYS A 57 -0.906 -16.426 14.785 1.00 2.23 N ATOM 0 H LYS A 57 -5.325 -12.488 14.290 1.00 0.96 H new ATOM 0 HA LYS A 57 -3.074 -12.573 14.756 1.00 1.04 H new ATOM 0 HB2 LYS A 57 -3.442 -14.397 12.961 1.00 1.05 H new ATOM 0 HB3 LYS A 57 -2.753 -13.272 11.808 1.00 1.05 H new ATOM 0 HG2 LYS A 57 -0.649 -13.148 13.087 1.00 1.18 H new ATOM 0 HG3 LYS A 57 -1.336 -14.088 14.397 1.00 1.18 H new ATOM 0 HD2 LYS A 57 -1.308 -15.267 11.595 1.00 1.29 H new ATOM 0 HD3 LYS A 57 0.170 -15.281 12.536 1.00 1.29 H new ATOM 0 HE2 LYS A 57 -2.513 -16.487 13.393 1.00 1.60 H new ATOM 0 HE3 LYS A 57 -1.094 -17.388 12.897 1.00 1.60 H new ATOM 0 HZ1 LYS A 57 -0.790 -17.395 15.144 1.00 2.23 H new ATOM 0 HZ2 LYS A 57 0.013 -15.939 14.799 1.00 2.23 H new ATOM 0 HZ3 LYS A 57 -1.580 -15.911 15.388 1.00 2.23 H new ATOM 886 N ASP A 58 -3.022 -9.961 13.769 1.00 0.97 N ATOM 887 CA ASP A 58 -2.373 -8.660 13.427 1.00 0.93 C ATOM 888 C ASP A 58 -2.288 -8.479 11.906 1.00 0.79 C ATOM 889 O ASP A 58 -1.597 -7.605 11.420 1.00 0.77 O ATOM 890 CB ASP A 58 -0.962 -8.625 14.020 1.00 1.04 C ATOM 891 CG ASP A 58 -0.362 -7.231 13.827 1.00 1.04 C ATOM 892 OD1 ASP A 58 -0.785 -6.324 14.524 1.00 1.35 O ATOM 893 OD2 ASP A 58 0.511 -7.096 12.986 1.00 1.60 O ATOM 0 H ASP A 58 -3.831 -9.888 14.386 1.00 0.97 H new ATOM 0 HA ASP A 58 -2.974 -7.851 13.843 1.00 0.93 H new ATOM 0 HB2 ASP A 58 -0.995 -8.875 15.081 1.00 1.04 H new ATOM 0 HB3 ASP A 58 -0.334 -9.373 13.536 1.00 1.04 H new ATOM 898 N ARG A 59 -2.994 -9.285 11.152 1.00 0.71 N ATOM 899 CA ARG A 59 -2.975 -9.158 9.658 1.00 0.59 C ATOM 900 C ARG A 59 -4.343 -8.675 9.183 1.00 0.48 C ATOM 901 O ARG A 59 -5.300 -8.678 9.931 1.00 0.53 O ATOM 902 CB ARG A 59 -2.677 -10.517 9.029 1.00 0.63 C ATOM 903 CG ARG A 59 -1.226 -10.895 9.309 1.00 0.76 C ATOM 904 CD ARG A 59 -1.019 -12.372 8.986 1.00 0.83 C ATOM 905 NE ARG A 59 0.399 -12.747 9.251 1.00 0.99 N ATOM 906 CZ ARG A 59 0.738 -14.006 9.328 1.00 1.53 C ATOM 907 NH1 ARG A 59 -0.165 -14.935 9.174 1.00 2.31 N ATOM 908 NH2 ARG A 59 1.980 -14.334 9.559 1.00 1.65 N ATOM 0 H ARG A 59 -3.589 -10.033 11.509 1.00 0.71 H new ATOM 0 HA ARG A 59 -2.204 -8.447 9.363 1.00 0.59 H new ATOM 0 HB2 ARG A 59 -3.347 -11.274 9.437 1.00 0.63 H new ATOM 0 HB3 ARG A 59 -2.854 -10.480 7.954 1.00 0.63 H new ATOM 0 HG2 ARG A 59 -0.556 -10.282 8.707 1.00 0.76 H new ATOM 0 HG3 ARG A 59 -0.983 -10.702 10.354 1.00 0.76 H new ATOM 0 HD2 ARG A 59 -1.687 -12.984 9.592 1.00 0.83 H new ATOM 0 HD3 ARG A 59 -1.268 -12.565 7.943 1.00 0.83 H new ATOM 0 HE ARG A 59 1.105 -12.020 9.372 1.00 0.99 H new ATOM 0 HH11 ARG A 59 -1.135 -14.678 8.993 1.00 2.31 H new ATOM 0 HH12 ARG A 59 0.099 -15.918 9.234 1.00 2.31 H new ATOM 0 HH21 ARG A 59 2.685 -13.607 9.679 1.00 1.65 H new ATOM 0 HH22 ARG A 59 2.245 -15.317 9.619 1.00 1.65 H new ATOM 922 N HIS A 60 -4.440 -8.258 7.944 1.00 0.38 N ATOM 923 CA HIS A 60 -5.748 -7.766 7.401 1.00 0.29 C ATOM 924 C HIS A 60 -6.154 -8.617 6.197 1.00 0.26 C ATOM 925 O HIS A 60 -5.322 -9.162 5.498 1.00 0.28 O ATOM 926 CB HIS A 60 -5.604 -6.306 6.976 1.00 0.22 C ATOM 927 CG HIS A 60 -5.397 -5.454 8.198 1.00 0.31 C ATOM 928 ND1 HIS A 60 -4.157 -5.320 8.805 1.00 0.39 N ATOM 929 CD2 HIS A 60 -6.261 -4.687 8.939 1.00 0.44 C ATOM 930 CE1 HIS A 60 -4.309 -4.501 9.862 1.00 0.47 C ATOM 931 NE2 HIS A 60 -5.572 -4.086 9.988 1.00 0.50 N ATOM 0 H HIS A 60 -3.665 -8.237 7.281 1.00 0.38 H new ATOM 0 HA HIS A 60 -6.516 -7.844 8.171 1.00 0.29 H new ATOM 0 HB2 HIS A 60 -4.762 -6.195 6.293 1.00 0.22 H new ATOM 0 HB3 HIS A 60 -6.495 -5.982 6.438 1.00 0.22 H new ATOM 0 HD2 HIS A 60 -7.316 -4.568 8.738 1.00 0.44 H new ATOM 0 HE1 HIS A 60 -3.508 -4.214 10.527 1.00 0.47 H new ATOM 0 HE2 HIS A 60 -5.951 -3.462 10.701 1.00 0.50 H new ATOM 939 N TRP A 61 -7.431 -8.744 5.958 1.00 0.28 N ATOM 940 CA TRP A 61 -7.902 -9.570 4.810 1.00 0.32 C ATOM 941 C TRP A 61 -9.330 -9.156 4.442 1.00 0.38 C ATOM 942 O TRP A 61 -10.120 -8.810 5.296 1.00 0.42 O ATOM 943 CB TRP A 61 -7.916 -11.058 5.235 1.00 0.40 C ATOM 944 CG TRP A 61 -6.645 -11.746 4.836 1.00 0.42 C ATOM 945 CD1 TRP A 61 -6.210 -11.901 3.564 1.00 0.45 C ATOM 946 CD2 TRP A 61 -5.651 -12.382 5.691 1.00 0.46 C ATOM 947 NE1 TRP A 61 -5.021 -12.608 3.584 1.00 0.52 N ATOM 948 CE2 TRP A 61 -4.633 -12.922 4.871 1.00 0.52 C ATOM 949 CE3 TRP A 61 -5.536 -12.544 7.084 1.00 0.50 C ATOM 950 CZ2 TRP A 61 -3.541 -13.601 5.411 1.00 0.60 C ATOM 951 CZ3 TRP A 61 -4.436 -13.226 7.631 1.00 0.58 C ATOM 952 CH2 TRP A 61 -3.442 -13.754 6.795 1.00 0.62 C ATOM 0 H TRP A 61 -8.171 -8.310 6.510 1.00 0.28 H new ATOM 0 HA TRP A 61 -7.239 -9.425 3.957 1.00 0.32 H new ATOM 0 HB2 TRP A 61 -8.048 -11.130 6.315 1.00 0.40 H new ATOM 0 HB3 TRP A 61 -8.766 -11.563 4.775 1.00 0.40 H new ATOM 0 HD1 TRP A 61 -6.709 -11.533 2.679 1.00 0.45 H new ATOM 0 HE1 TRP A 61 -4.495 -12.866 2.749 1.00 0.52 H new ATOM 0 HE3 TRP A 61 -6.297 -12.142 7.736 1.00 0.50 H new ATOM 0 HZ2 TRP A 61 -2.777 -14.006 4.763 1.00 0.60 H new ATOM 0 HZ3 TRP A 61 -4.356 -13.344 8.702 1.00 0.58 H new ATOM 0 HH2 TRP A 61 -2.600 -14.279 7.222 1.00 0.62 H new ATOM 963 N HIS A 62 -9.690 -9.245 3.191 1.00 0.42 N ATOM 964 CA HIS A 62 -11.092 -8.919 2.819 1.00 0.51 C ATOM 965 C HIS A 62 -11.937 -10.089 3.330 1.00 0.59 C ATOM 966 O HIS A 62 -11.601 -11.232 3.093 1.00 0.62 O ATOM 967 CB HIS A 62 -11.244 -8.833 1.295 1.00 0.58 C ATOM 968 CG HIS A 62 -10.685 -7.540 0.772 1.00 0.54 C ATOM 969 ND1 HIS A 62 -9.584 -7.491 -0.078 1.00 0.53 N ATOM 970 CD2 HIS A 62 -11.082 -6.238 0.942 1.00 0.55 C ATOM 971 CE1 HIS A 62 -9.367 -6.198 -0.381 1.00 0.53 C ATOM 972 NE2 HIS A 62 -10.250 -5.394 0.213 1.00 0.53 N ATOM 0 H HIS A 62 -9.082 -9.525 2.421 1.00 0.42 H new ATOM 0 HA HIS A 62 -11.394 -7.961 3.242 1.00 0.51 H new ATOM 0 HB2 HIS A 62 -10.730 -9.672 0.826 1.00 0.58 H new ATOM 0 HB3 HIS A 62 -12.297 -8.914 1.025 1.00 0.58 H new ATOM 0 HD2 HIS A 62 -11.915 -5.917 1.550 1.00 0.55 H new ATOM 0 HE1 HIS A 62 -8.574 -5.853 -1.027 1.00 0.53 H new ATOM 0 HE2 HIS A 62 -10.304 -4.378 0.147 1.00 0.53 H new ATOM 980 N GLU A 63 -13.004 -9.840 4.038 1.00 0.65 N ATOM 981 CA GLU A 63 -13.830 -10.976 4.562 1.00 0.74 C ATOM 982 C GLU A 63 -14.017 -12.038 3.458 1.00 0.81 C ATOM 983 O GLU A 63 -14.249 -13.198 3.735 1.00 0.86 O ATOM 984 CB GLU A 63 -15.211 -10.437 5.018 1.00 0.85 C ATOM 985 CG GLU A 63 -15.280 -10.352 6.549 1.00 1.02 C ATOM 986 CD GLU A 63 -14.300 -9.289 7.048 1.00 1.18 C ATOM 987 OE1 GLU A 63 -13.761 -8.573 6.220 1.00 1.72 O ATOM 988 OE2 GLU A 63 -14.106 -9.208 8.250 1.00 1.60 O ATOM 0 H GLU A 63 -13.342 -8.908 4.278 1.00 0.65 H new ATOM 0 HA GLU A 63 -13.323 -11.435 5.411 1.00 0.74 H new ATOM 0 HB2 GLU A 63 -15.383 -9.451 4.586 1.00 0.85 H new ATOM 0 HB3 GLU A 63 -16.002 -11.090 4.649 1.00 0.85 H new ATOM 0 HG2 GLU A 63 -16.293 -10.104 6.864 1.00 1.02 H new ATOM 0 HG3 GLU A 63 -15.038 -11.320 6.988 1.00 1.02 H new ATOM 995 N ALA A 64 -13.930 -11.643 2.213 1.00 0.82 N ATOM 996 CA ALA A 64 -14.116 -12.619 1.093 1.00 0.90 C ATOM 997 C ALA A 64 -12.778 -13.249 0.676 1.00 0.86 C ATOM 998 O ALA A 64 -12.748 -14.300 0.066 1.00 0.93 O ATOM 999 CB ALA A 64 -14.721 -11.891 -0.109 1.00 0.97 C ATOM 0 H ALA A 64 -13.738 -10.685 1.922 1.00 0.82 H new ATOM 0 HA ALA A 64 -14.780 -13.413 1.435 1.00 0.90 H new ATOM 0 HB1 ALA A 64 -14.859 -12.596 -0.929 1.00 0.97 H new ATOM 0 HB2 ALA A 64 -15.685 -11.466 0.171 1.00 0.97 H new ATOM 0 HB3 ALA A 64 -14.050 -11.092 -0.426 1.00 0.97 H new ATOM 1005 N CYS A 65 -11.673 -12.620 0.976 1.00 0.76 N ATOM 1006 CA CYS A 65 -10.354 -13.198 0.563 1.00 0.74 C ATOM 1007 C CYS A 65 -9.936 -14.304 1.529 1.00 0.74 C ATOM 1008 O CYS A 65 -9.260 -15.243 1.159 1.00 0.79 O ATOM 1009 CB CYS A 65 -9.294 -12.099 0.556 1.00 0.65 C ATOM 1010 SG CYS A 65 -9.475 -11.118 -0.953 1.00 0.70 S ATOM 0 H CYS A 65 -11.623 -11.738 1.485 1.00 0.76 H new ATOM 0 HA CYS A 65 -10.451 -13.620 -0.437 1.00 0.74 H new ATOM 0 HB2 CYS A 65 -9.405 -11.463 1.434 1.00 0.65 H new ATOM 0 HB3 CYS A 65 -8.297 -12.537 0.603 1.00 0.65 H new ATOM 1015 N PHE A 66 -10.324 -14.199 2.761 1.00 0.71 N ATOM 1016 CA PHE A 66 -9.946 -15.239 3.750 1.00 0.73 C ATOM 1017 C PHE A 66 -10.763 -16.507 3.471 1.00 0.84 C ATOM 1018 O PHE A 66 -11.931 -16.584 3.795 1.00 0.89 O ATOM 1019 CB PHE A 66 -10.253 -14.692 5.152 1.00 0.69 C ATOM 1020 CG PHE A 66 -9.339 -15.317 6.184 1.00 0.69 C ATOM 1021 CD1 PHE A 66 -9.338 -16.700 6.368 1.00 0.78 C ATOM 1022 CD2 PHE A 66 -8.496 -14.510 6.955 1.00 0.63 C ATOM 1023 CE1 PHE A 66 -8.497 -17.281 7.320 1.00 0.81 C ATOM 1024 CE2 PHE A 66 -7.651 -15.089 7.908 1.00 0.67 C ATOM 1025 CZ PHE A 66 -7.652 -16.477 8.090 1.00 0.76 C ATOM 0 H PHE A 66 -10.890 -13.435 3.130 1.00 0.71 H new ATOM 0 HA PHE A 66 -8.887 -15.486 3.681 1.00 0.73 H new ATOM 0 HB2 PHE A 66 -10.131 -13.609 5.160 1.00 0.69 H new ATOM 0 HB3 PHE A 66 -11.292 -14.897 5.408 1.00 0.69 H new ATOM 0 HD1 PHE A 66 -9.989 -17.323 5.773 1.00 0.78 H new ATOM 0 HD2 PHE A 66 -8.497 -13.439 6.815 1.00 0.63 H new ATOM 0 HE1 PHE A 66 -8.500 -18.352 7.461 1.00 0.81 H new ATOM 0 HE2 PHE A 66 -6.999 -14.466 8.502 1.00 0.67 H new ATOM 0 HZ PHE A 66 -7.000 -16.926 8.825 1.00 0.76 H new ATOM 1035 N HIS A 67 -10.161 -17.502 2.864 1.00 0.91 N ATOM 1036 CA HIS A 67 -10.920 -18.756 2.563 1.00 1.02 C ATOM 1037 C HIS A 67 -9.978 -19.967 2.503 1.00 1.09 C ATOM 1038 O HIS A 67 -8.772 -19.836 2.576 1.00 1.06 O ATOM 1039 CB HIS A 67 -11.629 -18.604 1.215 1.00 1.08 C ATOM 1040 CG HIS A 67 -10.659 -18.066 0.198 1.00 1.06 C ATOM 1041 ND1 HIS A 67 -10.634 -16.729 -0.166 1.00 1.39 N ATOM 1042 CD2 HIS A 67 -9.672 -18.674 -0.538 1.00 1.35 C ATOM 1043 CE1 HIS A 67 -9.661 -16.576 -1.083 1.00 1.22 C ATOM 1044 NE2 HIS A 67 -9.043 -17.731 -1.345 1.00 1.15 N ATOM 0 H HIS A 67 -9.185 -17.500 2.566 1.00 0.91 H new ATOM 0 HA HIS A 67 -11.647 -18.920 3.358 1.00 1.02 H new ATOM 0 HB2 HIS A 67 -12.020 -19.567 0.887 1.00 1.08 H new ATOM 0 HB3 HIS A 67 -12.481 -17.931 1.313 1.00 1.08 H new ATOM 0 HD2 HIS A 67 -9.422 -19.724 -0.497 1.00 1.35 H new ATOM 0 HE1 HIS A 67 -9.410 -15.635 -1.550 1.00 1.22 H new ATOM 0 HE2 HIS A 67 -8.275 -17.888 -1.997 1.00 1.15 H new ATOM 1052 N CYS A 68 -10.531 -21.152 2.363 1.00 1.19 N ATOM 1053 CA CYS A 68 -9.684 -22.383 2.289 1.00 1.27 C ATOM 1054 C CYS A 68 -9.196 -22.567 0.852 1.00 1.33 C ATOM 1055 O CYS A 68 -9.894 -22.270 -0.091 1.00 1.35 O ATOM 1056 CB CYS A 68 -10.508 -23.610 2.704 1.00 1.36 C ATOM 1057 SG CYS A 68 -9.627 -25.135 2.263 1.00 1.48 S ATOM 0 H CYS A 68 -11.535 -21.317 2.297 1.00 1.19 H new ATOM 0 HA CYS A 68 -8.833 -22.278 2.962 1.00 1.27 H new ATOM 0 HB2 CYS A 68 -10.694 -23.586 3.778 1.00 1.36 H new ATOM 0 HB3 CYS A 68 -11.480 -23.588 2.212 1.00 1.36 H new ATOM 1062 N SER A 69 -8.001 -23.045 0.671 1.00 1.37 N ATOM 1063 CA SER A 69 -7.482 -23.229 -0.712 1.00 1.44 C ATOM 1064 C SER A 69 -8.173 -24.422 -1.391 1.00 1.56 C ATOM 1065 O SER A 69 -8.198 -24.521 -2.602 1.00 1.63 O ATOM 1066 CB SER A 69 -5.974 -23.481 -0.649 1.00 1.48 C ATOM 1067 OG SER A 69 -5.405 -23.250 -1.932 1.00 1.53 O ATOM 0 H SER A 69 -7.361 -23.316 1.417 1.00 1.37 H new ATOM 0 HA SER A 69 -7.688 -22.330 -1.293 1.00 1.44 H new ATOM 0 HB2 SER A 69 -5.514 -22.824 0.089 1.00 1.48 H new ATOM 0 HB3 SER A 69 -5.778 -24.505 -0.330 1.00 1.48 H new ATOM 0 HG SER A 69 -4.439 -23.409 -1.895 1.00 1.53 H new ATOM 1073 N GLN A 70 -8.713 -25.340 -0.627 1.00 1.59 N ATOM 1074 CA GLN A 70 -9.378 -26.542 -1.238 1.00 1.71 C ATOM 1075 C GLN A 70 -10.896 -26.367 -1.276 1.00 1.71 C ATOM 1076 O GLN A 70 -11.534 -26.610 -2.282 1.00 1.78 O ATOM 1077 CB GLN A 70 -9.056 -27.781 -0.393 1.00 1.77 C ATOM 1078 CG GLN A 70 -7.546 -27.877 -0.150 1.00 1.77 C ATOM 1079 CD GLN A 70 -6.852 -28.420 -1.394 1.00 1.87 C ATOM 1080 OE1 GLN A 70 -7.169 -29.494 -1.866 1.00 1.98 O ATOM 1081 NE2 GLN A 70 -5.909 -27.714 -1.948 1.00 1.85 N ATOM 0 H GLN A 70 -8.724 -25.312 0.393 1.00 1.59 H new ATOM 0 HA GLN A 70 -9.006 -26.658 -2.256 1.00 1.71 H new ATOM 0 HB2 GLN A 70 -9.583 -27.727 0.560 1.00 1.77 H new ATOM 0 HB3 GLN A 70 -9.408 -28.679 -0.901 1.00 1.77 H new ATOM 0 HG2 GLN A 70 -7.146 -26.894 0.100 1.00 1.77 H new ATOM 0 HG3 GLN A 70 -7.347 -28.528 0.701 1.00 1.77 H new ATOM 0 HE21 GLN A 70 -5.645 -26.813 -1.549 1.00 1.85 H new ATOM 0 HE22 GLN A 70 -5.434 -28.062 -2.781 1.00 1.85 H new ATOM 1090 N CYS A 71 -11.484 -25.975 -0.181 1.00 1.65 N ATOM 1091 CA CYS A 71 -12.975 -25.815 -0.140 1.00 1.66 C ATOM 1092 C CYS A 71 -13.376 -24.387 -0.511 1.00 1.59 C ATOM 1093 O CYS A 71 -14.543 -24.079 -0.651 1.00 1.61 O ATOM 1094 CB CYS A 71 -13.483 -26.128 1.272 1.00 1.65 C ATOM 1095 SG CYS A 71 -12.563 -27.528 1.945 1.00 1.71 S ATOM 0 H CYS A 71 -11.002 -25.757 0.691 1.00 1.65 H new ATOM 0 HA CYS A 71 -13.417 -26.504 -0.860 1.00 1.66 H new ATOM 0 HB2 CYS A 71 -13.362 -25.256 1.915 1.00 1.65 H new ATOM 0 HB3 CYS A 71 -14.548 -26.358 1.244 1.00 1.65 H new ATOM 1100 N ARG A 72 -12.429 -23.510 -0.662 1.00 1.52 N ATOM 1101 CA ARG A 72 -12.771 -22.108 -1.013 1.00 1.45 C ATOM 1102 C ARG A 72 -13.847 -21.590 -0.062 1.00 1.42 C ATOM 1103 O ARG A 72 -14.478 -20.582 -0.311 1.00 1.40 O ATOM 1104 CB ARG A 72 -13.268 -22.051 -2.460 1.00 1.55 C ATOM 1105 CG ARG A 72 -12.463 -23.036 -3.312 1.00 1.99 C ATOM 1106 CD ARG A 72 -12.800 -22.830 -4.790 1.00 2.40 C ATOM 1107 NE ARG A 72 -11.842 -23.602 -5.630 1.00 3.03 N ATOM 1108 CZ ARG A 72 -12.105 -23.818 -6.890 1.00 3.57 C ATOM 1109 NH1 ARG A 72 -13.208 -23.358 -7.413 1.00 3.70 N ATOM 1110 NH2 ARG A 72 -11.265 -24.493 -7.626 1.00 4.39 N ATOM 0 H ARG A 72 -11.433 -23.703 -0.558 1.00 1.52 H new ATOM 0 HA ARG A 72 -11.886 -21.479 -0.918 1.00 1.45 H new ATOM 0 HB2 ARG A 72 -14.329 -22.299 -2.502 1.00 1.55 H new ATOM 0 HB3 ARG A 72 -13.161 -21.040 -2.854 1.00 1.55 H new ATOM 0 HG2 ARG A 72 -11.396 -22.887 -3.148 1.00 1.99 H new ATOM 0 HG3 ARG A 72 -12.691 -24.060 -3.016 1.00 1.99 H new ATOM 0 HD2 ARG A 72 -13.821 -23.156 -4.990 1.00 2.40 H new ATOM 0 HD3 ARG A 72 -12.749 -21.771 -5.041 1.00 2.40 H new ATOM 0 HE ARG A 72 -10.980 -23.962 -5.220 1.00 3.03 H new ATOM 0 HH11 ARG A 72 -13.864 -22.830 -6.837 1.00 3.70 H new ATOM 0 HH12 ARG A 72 -13.414 -23.526 -8.398 1.00 3.70 H new ATOM 0 HH21 ARG A 72 -10.403 -24.852 -7.217 1.00 4.39 H new ATOM 0 HH22 ARG A 72 -11.471 -24.662 -8.611 1.00 4.39 H new ATOM 1124 N ASN A 73 -14.037 -22.251 1.044 1.00 1.43 N ATOM 1125 CA ASN A 73 -15.043 -21.768 2.023 1.00 1.42 C ATOM 1126 C ASN A 73 -14.509 -20.474 2.608 1.00 1.29 C ATOM 1127 O ASN A 73 -13.322 -20.273 2.669 1.00 1.21 O ATOM 1128 CB ASN A 73 -15.207 -22.797 3.145 1.00 1.47 C ATOM 1129 CG ASN A 73 -16.227 -23.856 2.728 1.00 1.62 C ATOM 1130 OD1 ASN A 73 -15.976 -24.647 1.843 1.00 1.80 O ATOM 1131 ND2 ASN A 73 -17.382 -23.896 3.332 1.00 1.73 N ATOM 0 H ASN A 73 -13.541 -23.101 1.310 1.00 1.43 H new ATOM 0 HA ASN A 73 -16.009 -21.617 1.542 1.00 1.42 H new ATOM 0 HB2 ASN A 73 -14.248 -23.268 3.363 1.00 1.47 H new ATOM 0 HB3 ASN A 73 -15.535 -22.303 4.060 1.00 1.47 H new ATOM 0 HD21 ASN A 73 -18.076 -24.593 3.061 1.00 1.73 H new ATOM 0 HD22 ASN A 73 -17.592 -23.230 4.076 1.00 1.73 H new ATOM 1138 N SER A 74 -15.359 -19.599 3.049 1.00 1.29 N ATOM 1139 CA SER A 74 -14.852 -18.325 3.635 1.00 1.17 C ATOM 1140 C SER A 74 -14.576 -18.538 5.123 1.00 1.14 C ATOM 1141 O SER A 74 -15.473 -18.477 5.940 1.00 1.19 O ATOM 1142 CB SER A 74 -15.906 -17.231 3.464 1.00 1.19 C ATOM 1143 OG SER A 74 -16.086 -16.966 2.078 1.00 1.23 O ATOM 0 H SER A 74 -16.373 -19.703 3.032 1.00 1.29 H new ATOM 0 HA SER A 74 -13.935 -18.025 3.128 1.00 1.17 H new ATOM 0 HB2 SER A 74 -16.849 -17.545 3.912 1.00 1.19 H new ATOM 0 HB3 SER A 74 -15.593 -16.324 3.982 1.00 1.19 H new ATOM 0 HG SER A 74 -16.762 -16.266 1.964 1.00 1.23 H new ATOM 1149 N LEU A 75 -13.345 -18.789 5.489 1.00 1.08 N ATOM 1150 CA LEU A 75 -13.041 -19.003 6.926 1.00 1.08 C ATOM 1151 C LEU A 75 -12.901 -17.644 7.602 1.00 1.00 C ATOM 1152 O LEU A 75 -11.989 -16.892 7.324 1.00 0.91 O ATOM 1153 CB LEU A 75 -11.717 -19.765 7.085 1.00 1.06 C ATOM 1154 CG LEU A 75 -11.631 -20.938 6.090 1.00 1.14 C ATOM 1155 CD1 LEU A 75 -10.159 -21.294 5.827 1.00 1.12 C ATOM 1156 CD2 LEU A 75 -12.364 -22.145 6.671 1.00 1.25 C ATOM 0 H LEU A 75 -12.547 -18.854 4.857 1.00 1.08 H new ATOM 0 HA LEU A 75 -13.846 -19.583 7.378 1.00 1.08 H new ATOM 0 HB2 LEU A 75 -10.881 -19.085 6.924 1.00 1.06 H new ATOM 0 HB3 LEU A 75 -11.630 -20.141 8.104 1.00 1.06 H new ATOM 0 HG LEU A 75 -12.096 -20.651 5.147 1.00 1.14 H new ATOM 0 HD11 LEU A 75 -10.106 -22.124 5.123 1.00 1.12 H new ATOM 0 HD12 LEU A 75 -9.645 -20.429 5.408 1.00 1.12 H new ATOM 0 HD13 LEU A 75 -9.681 -21.582 6.764 1.00 1.12 H new ATOM 0 HD21 LEU A 75 -12.306 -22.978 5.970 1.00 1.25 H new ATOM 0 HD22 LEU A 75 -11.901 -22.432 7.615 1.00 1.25 H new ATOM 0 HD23 LEU A 75 -13.409 -21.888 6.843 1.00 1.25 H new ATOM 1168 N VAL A 76 -13.780 -17.337 8.507 1.00 1.05 N ATOM 1169 CA VAL A 76 -13.697 -16.046 9.239 1.00 1.01 C ATOM 1170 C VAL A 76 -14.054 -16.330 10.694 1.00 1.10 C ATOM 1171 O VAL A 76 -15.040 -16.983 10.975 1.00 1.20 O ATOM 1172 CB VAL A 76 -14.675 -15.040 8.626 1.00 1.01 C ATOM 1173 CG1 VAL A 76 -14.777 -13.811 9.528 1.00 1.01 C ATOM 1174 CG2 VAL A 76 -14.168 -14.617 7.241 1.00 0.93 C ATOM 0 H VAL A 76 -14.563 -17.932 8.775 1.00 1.05 H new ATOM 0 HA VAL A 76 -12.697 -15.618 9.173 1.00 1.01 H new ATOM 0 HB VAL A 76 -15.658 -15.501 8.530 1.00 1.01 H new ATOM 0 HG11 VAL A 76 -15.473 -13.096 9.091 1.00 1.01 H new ATOM 0 HG12 VAL A 76 -15.136 -14.111 10.513 1.00 1.01 H new ATOM 0 HG13 VAL A 76 -13.795 -13.348 9.625 1.00 1.01 H new ATOM 0 HG21 VAL A 76 -14.863 -13.901 6.802 1.00 0.93 H new ATOM 0 HG22 VAL A 76 -13.185 -14.156 7.338 1.00 0.93 H new ATOM 0 HG23 VAL A 76 -14.096 -15.493 6.597 1.00 0.93 H new ATOM 1184 N ASP A 77 -13.258 -15.886 11.624 1.00 1.07 N ATOM 1185 CA ASP A 77 -13.567 -16.181 13.050 1.00 1.18 C ATOM 1186 C ASP A 77 -13.783 -17.693 13.195 1.00 1.26 C ATOM 1187 O ASP A 77 -14.273 -18.172 14.199 1.00 1.36 O ATOM 1188 CB ASP A 77 -14.832 -15.426 13.474 1.00 1.25 C ATOM 1189 CG ASP A 77 -15.217 -15.832 14.898 1.00 1.52 C ATOM 1190 OD1 ASP A 77 -14.611 -15.319 15.824 1.00 2.23 O ATOM 1191 OD2 ASP A 77 -16.112 -16.650 15.038 1.00 1.86 O ATOM 0 H ASP A 77 -12.414 -15.336 11.462 1.00 1.07 H new ATOM 0 HA ASP A 77 -12.743 -15.861 13.688 1.00 1.18 H new ATOM 0 HB2 ASP A 77 -14.660 -14.351 13.425 1.00 1.25 H new ATOM 0 HB3 ASP A 77 -15.649 -15.649 12.788 1.00 1.25 H new ATOM 1196 N LYS A 78 -13.408 -18.444 12.183 1.00 1.22 N ATOM 1197 CA LYS A 78 -13.564 -19.933 12.214 1.00 1.30 C ATOM 1198 C LYS A 78 -12.154 -20.549 12.288 1.00 1.28 C ATOM 1199 O LYS A 78 -11.212 -19.914 11.882 1.00 1.19 O ATOM 1200 CB LYS A 78 -14.268 -20.378 10.914 1.00 1.31 C ATOM 1201 CG LYS A 78 -15.788 -20.400 11.121 1.00 1.41 C ATOM 1202 CD LYS A 78 -16.489 -20.492 9.762 1.00 1.46 C ATOM 1203 CE LYS A 78 -16.137 -21.821 9.088 1.00 1.77 C ATOM 1204 NZ LYS A 78 -17.123 -22.105 8.007 1.00 2.34 N ATOM 0 H LYS A 78 -12.994 -18.080 11.325 1.00 1.22 H new ATOM 0 HA LYS A 78 -14.156 -20.255 13.070 1.00 1.30 H new ATOM 0 HB2 LYS A 78 -14.013 -19.697 10.102 1.00 1.31 H new ATOM 0 HB3 LYS A 78 -13.918 -21.368 10.622 1.00 1.31 H new ATOM 0 HG2 LYS A 78 -16.068 -21.249 11.745 1.00 1.41 H new ATOM 0 HG3 LYS A 78 -16.107 -19.500 11.646 1.00 1.41 H new ATOM 0 HD2 LYS A 78 -17.568 -20.414 9.893 1.00 1.46 H new ATOM 0 HD3 LYS A 78 -16.184 -19.660 9.128 1.00 1.46 H new ATOM 0 HE2 LYS A 78 -15.130 -21.776 8.674 1.00 1.77 H new ATOM 0 HE3 LYS A 78 -16.144 -22.627 9.822 1.00 1.77 H new ATOM 0 HZ1 LYS A 78 -16.885 -23.008 7.548 1.00 2.34 H new ATOM 0 HZ2 LYS A 78 -18.078 -22.165 8.415 1.00 2.34 H new ATOM 0 HZ3 LYS A 78 -17.095 -21.341 7.302 1.00 2.34 H new ATOM 1218 N PRO A 79 -12.027 -21.753 12.802 1.00 1.36 N ATOM 1219 CA PRO A 79 -10.703 -22.401 12.903 1.00 1.37 C ATOM 1220 C PRO A 79 -10.090 -22.584 11.501 1.00 1.31 C ATOM 1221 O PRO A 79 -10.754 -23.004 10.575 1.00 1.33 O ATOM 1222 CB PRO A 79 -10.982 -23.766 13.573 1.00 1.49 C ATOM 1223 CG PRO A 79 -12.526 -23.924 13.674 1.00 1.55 C ATOM 1224 CD PRO A 79 -13.153 -22.560 13.318 1.00 1.47 C ATOM 0 HA PRO A 79 -9.989 -21.809 13.476 1.00 1.37 H new ATOM 0 HB2 PRO A 79 -10.550 -24.577 12.987 1.00 1.49 H new ATOM 0 HB3 PRO A 79 -10.526 -23.809 14.562 1.00 1.49 H new ATOM 0 HG2 PRO A 79 -12.878 -24.698 12.992 1.00 1.55 H new ATOM 0 HG3 PRO A 79 -12.816 -24.229 14.680 1.00 1.55 H new ATOM 0 HD2 PRO A 79 -13.938 -22.668 12.570 1.00 1.47 H new ATOM 0 HD3 PRO A 79 -13.607 -22.093 14.192 1.00 1.47 H new ATOM 1232 N PHE A 80 -8.823 -22.286 11.348 1.00 1.27 N ATOM 1233 CA PHE A 80 -8.162 -22.460 10.016 1.00 1.23 C ATOM 1234 C PHE A 80 -6.678 -22.746 10.211 1.00 1.26 C ATOM 1235 O PHE A 80 -6.060 -22.272 11.143 1.00 1.26 O ATOM 1236 CB PHE A 80 -8.307 -21.188 9.167 1.00 1.12 C ATOM 1237 CG PHE A 80 -7.696 -19.999 9.885 1.00 1.04 C ATOM 1238 CD1 PHE A 80 -6.303 -19.824 9.914 1.00 1.03 C ATOM 1239 CD2 PHE A 80 -8.524 -19.075 10.528 1.00 1.01 C ATOM 1240 CE1 PHE A 80 -5.751 -18.727 10.590 1.00 0.97 C ATOM 1241 CE2 PHE A 80 -7.970 -17.978 11.199 1.00 0.95 C ATOM 1242 CZ PHE A 80 -6.583 -17.806 11.232 1.00 0.93 C ATOM 0 H PHE A 80 -8.218 -21.930 12.088 1.00 1.27 H new ATOM 0 HA PHE A 80 -8.644 -23.293 9.504 1.00 1.23 H new ATOM 0 HB2 PHE A 80 -7.818 -21.329 8.203 1.00 1.12 H new ATOM 0 HB3 PHE A 80 -9.361 -20.996 8.965 1.00 1.12 H new ATOM 0 HD1 PHE A 80 -5.658 -20.533 9.416 1.00 1.03 H new ATOM 0 HD2 PHE A 80 -9.596 -19.208 10.507 1.00 1.01 H new ATOM 0 HE1 PHE A 80 -4.680 -18.593 10.615 1.00 0.97 H new ATOM 0 HE2 PHE A 80 -8.614 -17.265 11.691 1.00 0.95 H new ATOM 0 HZ PHE A 80 -6.155 -16.962 11.753 1.00 0.93 H new ATOM 1252 N ALA A 81 -6.091 -23.494 9.316 1.00 1.30 N ATOM 1253 CA ALA A 81 -4.634 -23.786 9.422 1.00 1.35 C ATOM 1254 C ALA A 81 -3.888 -22.767 8.563 1.00 1.28 C ATOM 1255 O ALA A 81 -4.038 -22.728 7.358 1.00 1.26 O ATOM 1256 CB ALA A 81 -4.347 -25.203 8.914 1.00 1.45 C ATOM 0 H ALA A 81 -6.560 -23.916 8.514 1.00 1.30 H new ATOM 0 HA ALA A 81 -4.309 -23.720 10.460 1.00 1.35 H new ATOM 0 HB1 ALA A 81 -3.280 -25.409 8.995 1.00 1.45 H new ATOM 0 HB2 ALA A 81 -4.902 -25.924 9.514 1.00 1.45 H new ATOM 0 HB3 ALA A 81 -4.655 -25.285 7.872 1.00 1.45 H new ATOM 1262 N ALA A 82 -3.103 -21.930 9.171 1.00 1.25 N ATOM 1263 CA ALA A 82 -2.367 -20.900 8.387 1.00 1.20 C ATOM 1264 C ALA A 82 -1.128 -21.526 7.746 1.00 1.29 C ATOM 1265 O ALA A 82 -0.148 -21.814 8.403 1.00 1.37 O ATOM 1266 CB ALA A 82 -1.940 -19.758 9.320 1.00 1.16 C ATOM 0 H ALA A 82 -2.937 -21.912 10.177 1.00 1.25 H new ATOM 0 HA ALA A 82 -3.017 -20.509 7.604 1.00 1.20 H new ATOM 0 HB1 ALA A 82 -1.401 -19.003 8.748 1.00 1.16 H new ATOM 0 HB2 ALA A 82 -2.824 -19.308 9.772 1.00 1.16 H new ATOM 0 HB3 ALA A 82 -1.292 -20.151 10.103 1.00 1.16 H new ATOM 1272 N LYS A 83 -1.167 -21.717 6.455 1.00 1.31 N ATOM 1273 CA LYS A 83 -0.001 -22.300 5.737 1.00 1.42 C ATOM 1274 C LYS A 83 0.881 -21.147 5.262 1.00 1.39 C ATOM 1275 O LYS A 83 0.454 -20.009 5.228 1.00 1.29 O ATOM 1276 CB LYS A 83 -0.488 -23.133 4.548 1.00 1.47 C ATOM 1277 CG LYS A 83 0.702 -23.544 3.669 1.00 1.59 C ATOM 1278 CD LYS A 83 0.332 -24.786 2.854 1.00 1.69 C ATOM 1279 CE LYS A 83 1.472 -25.127 1.893 1.00 1.84 C ATOM 1280 NZ LYS A 83 1.476 -24.157 0.762 1.00 2.44 N ATOM 0 H LYS A 83 -1.966 -21.491 5.863 1.00 1.31 H new ATOM 0 HA LYS A 83 0.569 -22.956 6.395 1.00 1.42 H new ATOM 0 HB2 LYS A 83 -1.010 -24.021 4.905 1.00 1.47 H new ATOM 0 HB3 LYS A 83 -1.203 -22.558 3.960 1.00 1.47 H new ATOM 0 HG2 LYS A 83 0.974 -22.726 3.002 1.00 1.59 H new ATOM 0 HG3 LYS A 83 1.573 -23.751 4.291 1.00 1.59 H new ATOM 0 HD2 LYS A 83 0.141 -25.627 3.520 1.00 1.69 H new ATOM 0 HD3 LYS A 83 -0.587 -24.607 2.295 1.00 1.69 H new ATOM 0 HE2 LYS A 83 2.427 -25.094 2.418 1.00 1.84 H new ATOM 0 HE3 LYS A 83 1.352 -26.142 1.515 1.00 1.84 H new ATOM 0 HZ1 LYS A 83 2.069 -24.525 -0.009 1.00 2.44 H new ATOM 0 HZ2 LYS A 83 0.504 -24.022 0.417 1.00 2.44 H new ATOM 0 HZ3 LYS A 83 1.858 -23.246 1.087 1.00 2.44 H new ATOM 1294 N GLU A 84 2.114 -21.424 4.938 1.00 1.50 N ATOM 1295 CA GLU A 84 3.057 -20.346 4.511 1.00 1.51 C ATOM 1296 C GLU A 84 2.351 -19.277 3.663 1.00 1.41 C ATOM 1297 O GLU A 84 2.391 -18.108 3.993 1.00 1.34 O ATOM 1298 CB GLU A 84 4.184 -20.976 3.688 1.00 1.65 C ATOM 1299 CG GLU A 84 5.147 -21.719 4.618 1.00 1.75 C ATOM 1300 CD GLU A 84 6.111 -22.565 3.786 1.00 2.34 C ATOM 1301 OE1 GLU A 84 5.637 -23.395 3.028 1.00 2.86 O ATOM 1302 OE2 GLU A 84 7.308 -22.369 3.921 1.00 2.94 O ATOM 0 H GLU A 84 2.515 -22.362 4.950 1.00 1.50 H new ATOM 0 HA GLU A 84 3.451 -19.861 5.404 1.00 1.51 H new ATOM 0 HB2 GLU A 84 3.769 -21.665 2.952 1.00 1.65 H new ATOM 0 HB3 GLU A 84 4.719 -20.204 3.135 1.00 1.65 H new ATOM 0 HG2 GLU A 84 5.704 -21.006 5.226 1.00 1.75 H new ATOM 0 HG3 GLU A 84 4.588 -22.355 5.304 1.00 1.75 H new ATOM 1309 N ASP A 85 1.725 -19.650 2.573 1.00 1.42 N ATOM 1310 CA ASP A 85 1.042 -18.637 1.705 1.00 1.34 C ATOM 1311 C ASP A 85 -0.435 -19.002 1.516 1.00 1.28 C ATOM 1312 O ASP A 85 -1.140 -18.345 0.775 1.00 1.23 O ATOM 1313 CB ASP A 85 1.741 -18.633 0.336 1.00 1.45 C ATOM 1314 CG ASP A 85 2.978 -17.731 0.384 1.00 1.49 C ATOM 1315 OD1 ASP A 85 3.546 -17.594 1.455 1.00 1.66 O ATOM 1316 OD2 ASP A 85 3.336 -17.193 -0.651 1.00 2.00 O ATOM 0 H ASP A 85 1.657 -20.614 2.246 1.00 1.42 H new ATOM 0 HA ASP A 85 1.099 -17.655 2.174 1.00 1.34 H new ATOM 0 HB2 ASP A 85 2.031 -19.648 0.063 1.00 1.45 H new ATOM 0 HB3 ASP A 85 1.053 -18.280 -0.432 1.00 1.45 H new ATOM 1321 N GLN A 86 -0.903 -20.056 2.141 1.00 1.30 N ATOM 1322 CA GLN A 86 -2.336 -20.473 1.948 1.00 1.26 C ATOM 1323 C GLN A 86 -3.052 -20.672 3.285 1.00 1.20 C ATOM 1324 O GLN A 86 -2.457 -20.696 4.343 1.00 1.20 O ATOM 1325 CB GLN A 86 -2.383 -21.799 1.180 1.00 1.39 C ATOM 1326 CG GLN A 86 -1.461 -21.753 -0.043 1.00 1.47 C ATOM 1327 CD GLN A 86 -2.129 -20.968 -1.176 1.00 1.43 C ATOM 1328 OE1 GLN A 86 -2.917 -20.076 -0.933 1.00 1.64 O ATOM 1329 NE2 GLN A 86 -1.845 -21.267 -2.414 1.00 1.70 N ATOM 0 H GLN A 86 -0.361 -20.645 2.774 1.00 1.30 H new ATOM 0 HA GLN A 86 -2.837 -19.679 1.394 1.00 1.26 H new ATOM 0 HB2 GLN A 86 -2.083 -22.616 1.837 1.00 1.39 H new ATOM 0 HB3 GLN A 86 -3.405 -22.005 0.863 1.00 1.39 H new ATOM 0 HG2 GLN A 86 -0.513 -21.286 0.224 1.00 1.47 H new ATOM 0 HG3 GLN A 86 -1.235 -22.766 -0.376 1.00 1.47 H new ATOM 0 HE21 GLN A 86 -1.183 -22.016 -2.619 1.00 1.70 H new ATOM 0 HE22 GLN A 86 -2.285 -20.752 -3.177 1.00 1.70 H new ATOM 1338 N LEU A 87 -4.346 -20.848 3.215 1.00 1.17 N ATOM 1339 CA LEU A 87 -5.173 -21.103 4.427 1.00 1.14 C ATOM 1340 C LEU A 87 -5.998 -22.351 4.139 1.00 1.22 C ATOM 1341 O LEU A 87 -6.530 -22.509 3.059 1.00 1.25 O ATOM 1342 CB LEU A 87 -6.103 -19.910 4.704 1.00 1.02 C ATOM 1343 CG LEU A 87 -5.321 -18.811 5.454 1.00 0.95 C ATOM 1344 CD1 LEU A 87 -5.953 -17.435 5.184 1.00 0.84 C ATOM 1345 CD2 LEU A 87 -5.326 -19.101 6.964 1.00 0.96 C ATOM 0 H LEU A 87 -4.875 -20.824 2.344 1.00 1.17 H new ATOM 0 HA LEU A 87 -4.542 -21.239 5.305 1.00 1.14 H new ATOM 0 HB2 LEU A 87 -6.496 -19.516 3.767 1.00 1.02 H new ATOM 0 HB3 LEU A 87 -6.958 -20.232 5.298 1.00 1.02 H new ATOM 0 HG LEU A 87 -4.292 -18.804 5.096 1.00 0.95 H new ATOM 0 HD11 LEU A 87 -5.394 -16.667 5.718 1.00 0.84 H new ATOM 0 HD12 LEU A 87 -5.927 -17.226 4.115 1.00 0.84 H new ATOM 0 HD13 LEU A 87 -6.987 -17.436 5.528 1.00 0.84 H new ATOM 0 HD21 LEU A 87 -4.772 -18.321 7.486 1.00 0.96 H new ATOM 0 HD22 LEU A 87 -6.354 -19.121 7.327 1.00 0.96 H new ATOM 0 HD23 LEU A 87 -4.856 -20.067 7.151 1.00 0.96 H new ATOM 1357 N LEU A 88 -6.076 -23.258 5.073 1.00 1.28 N ATOM 1358 CA LEU A 88 -6.837 -24.524 4.839 1.00 1.37 C ATOM 1359 C LEU A 88 -7.725 -24.818 6.045 1.00 1.38 C ATOM 1360 O LEU A 88 -7.578 -24.225 7.095 1.00 1.33 O ATOM 1361 CB LEU A 88 -5.825 -25.664 4.662 1.00 1.47 C ATOM 1362 CG LEU A 88 -5.081 -25.512 3.314 1.00 1.51 C ATOM 1363 CD1 LEU A 88 -3.694 -26.154 3.401 1.00 1.59 C ATOM 1364 CD2 LEU A 88 -5.873 -26.193 2.197 1.00 1.57 C ATOM 0 H LEU A 88 -5.644 -23.179 5.994 1.00 1.28 H new ATOM 0 HA LEU A 88 -7.463 -24.429 3.952 1.00 1.37 H new ATOM 0 HB2 LEU A 88 -5.109 -25.656 5.484 1.00 1.47 H new ATOM 0 HB3 LEU A 88 -6.339 -26.625 4.696 1.00 1.47 H new ATOM 0 HG LEU A 88 -4.979 -24.449 3.096 1.00 1.51 H new ATOM 0 HD11 LEU A 88 -3.180 -26.041 2.446 1.00 1.59 H new ATOM 0 HD12 LEU A 88 -3.115 -25.665 4.185 1.00 1.59 H new ATOM 0 HD13 LEU A 88 -3.798 -27.214 3.634 1.00 1.59 H new ATOM 0 HD21 LEU A 88 -5.341 -26.080 1.253 1.00 1.57 H new ATOM 0 HD22 LEU A 88 -5.986 -27.253 2.425 1.00 1.57 H new ATOM 0 HD23 LEU A 88 -6.857 -25.732 2.116 1.00 1.57 H new ATOM 1376 N CYS A 89 -8.638 -25.743 5.911 1.00 1.45 N ATOM 1377 CA CYS A 89 -9.518 -26.084 7.060 1.00 1.47 C ATOM 1378 C CYS A 89 -8.787 -27.113 7.910 1.00 1.55 C ATOM 1379 O CYS A 89 -8.179 -28.028 7.390 1.00 1.61 O ATOM 1380 CB CYS A 89 -10.832 -26.697 6.558 1.00 1.54 C ATOM 1381 SG CYS A 89 -11.499 -25.711 5.198 1.00 1.49 S ATOM 0 H CYS A 89 -8.810 -26.274 5.057 1.00 1.45 H new ATOM 0 HA CYS A 89 -9.747 -25.186 7.634 1.00 1.47 H new ATOM 0 HB2 CYS A 89 -10.661 -27.721 6.225 1.00 1.54 H new ATOM 0 HB3 CYS A 89 -11.555 -26.743 7.372 1.00 1.54 H new ATOM 1386 N THR A 90 -8.829 -26.982 9.209 1.00 1.55 N ATOM 1387 CA THR A 90 -8.121 -27.974 10.072 1.00 1.63 C ATOM 1388 C THR A 90 -8.453 -29.385 9.583 1.00 1.73 C ATOM 1389 O THR A 90 -7.771 -30.343 9.890 1.00 1.80 O ATOM 1390 CB THR A 90 -8.571 -27.811 11.525 1.00 1.64 C ATOM 1391 OG1 THR A 90 -8.328 -29.018 12.233 1.00 1.81 O ATOM 1392 CG2 THR A 90 -10.065 -27.486 11.567 1.00 1.76 C ATOM 0 H THR A 90 -9.318 -26.238 9.707 1.00 1.55 H new ATOM 0 HA THR A 90 -7.045 -27.809 10.015 1.00 1.63 H new ATOM 0 HB THR A 90 -8.012 -26.998 11.988 1.00 1.64 H new ATOM 0 HG1 THR A 90 -8.614 -28.914 13.164 1.00 1.81 H new ATOM 0 HG21 THR A 90 -10.383 -27.370 12.603 1.00 1.76 H new ATOM 0 HG22 THR A 90 -10.251 -26.559 11.025 1.00 1.76 H new ATOM 0 HG23 THR A 90 -10.627 -28.297 11.103 1.00 1.76 H new ATOM 1400 N ASP A 91 -9.486 -29.506 8.795 1.00 1.73 N ATOM 1401 CA ASP A 91 -9.859 -30.837 8.248 1.00 1.84 C ATOM 1402 C ASP A 91 -8.988 -31.111 7.021 1.00 1.86 C ATOM 1403 O ASP A 91 -8.414 -32.172 6.876 1.00 1.94 O ATOM 1404 CB ASP A 91 -11.334 -30.828 7.844 1.00 1.85 C ATOM 1405 CG ASP A 91 -12.210 -30.938 9.093 1.00 1.87 C ATOM 1406 OD1 ASP A 91 -11.823 -31.653 10.003 1.00 2.33 O ATOM 1407 OD2 ASP A 91 -13.253 -30.305 9.119 1.00 1.99 O ATOM 0 H ASP A 91 -10.089 -28.736 8.506 1.00 1.73 H new ATOM 0 HA ASP A 91 -9.704 -31.613 8.998 1.00 1.84 H new ATOM 0 HB2 ASP A 91 -11.568 -29.911 7.304 1.00 1.85 H new ATOM 0 HB3 ASP A 91 -11.541 -31.658 7.168 1.00 1.85 H new ATOM 1412 N CYS A 92 -8.872 -30.147 6.144 1.00 1.78 N ATOM 1413 CA CYS A 92 -8.025 -30.337 4.933 1.00 1.81 C ATOM 1414 C CYS A 92 -6.553 -30.264 5.340 1.00 1.81 C ATOM 1415 O CYS A 92 -5.731 -31.030 4.882 1.00 1.89 O ATOM 1416 CB CYS A 92 -8.326 -29.234 3.908 1.00 1.74 C ATOM 1417 SG CYS A 92 -10.102 -28.906 3.874 1.00 1.73 S ATOM 0 H CYS A 92 -9.328 -29.237 6.216 1.00 1.78 H new ATOM 0 HA CYS A 92 -8.240 -31.308 4.486 1.00 1.81 H new ATOM 0 HB2 CYS A 92 -7.783 -28.325 4.167 1.00 1.74 H new ATOM 0 HB3 CYS A 92 -7.983 -29.539 2.919 1.00 1.74 H new ATOM 1422 N TYR A 93 -6.216 -29.343 6.197 1.00 1.73 N ATOM 1423 CA TYR A 93 -4.800 -29.212 6.633 1.00 1.74 C ATOM 1424 C TYR A 93 -4.315 -30.531 7.226 1.00 1.85 C ATOM 1425 O TYR A 93 -3.254 -31.022 6.897 1.00 1.92 O ATOM 1426 CB TYR A 93 -4.710 -28.128 7.699 1.00 1.65 C ATOM 1427 CG TYR A 93 -3.257 -27.791 7.948 1.00 1.66 C ATOM 1428 CD1 TYR A 93 -2.525 -27.076 6.991 1.00 1.64 C ATOM 1429 CD2 TYR A 93 -2.638 -28.207 9.133 1.00 1.71 C ATOM 1430 CE1 TYR A 93 -1.177 -26.774 7.223 1.00 1.66 C ATOM 1431 CE2 TYR A 93 -1.292 -27.908 9.363 1.00 1.73 C ATOM 1432 CZ TYR A 93 -0.560 -27.191 8.409 1.00 1.71 C ATOM 1433 OH TYR A 93 0.768 -26.897 8.637 1.00 1.75 O ATOM 0 H TYR A 93 -6.862 -28.674 6.615 1.00 1.73 H new ATOM 0 HA TYR A 93 -4.180 -28.952 5.775 1.00 1.74 H new ATOM 0 HB2 TYR A 93 -5.251 -27.239 7.376 1.00 1.65 H new ATOM 0 HB3 TYR A 93 -5.179 -28.469 8.622 1.00 1.65 H new ATOM 0 HD1 TYR A 93 -3.000 -26.758 6.075 1.00 1.64 H new ATOM 0 HD2 TYR A 93 -3.201 -28.760 9.870 1.00 1.71 H new ATOM 0 HE1 TYR A 93 -0.613 -26.220 6.487 1.00 1.66 H new ATOM 0 HE2 TYR A 93 -0.816 -28.230 10.277 1.00 1.73 H new ATOM 0 HH TYR A 93 1.241 -27.711 8.910 1.00 1.75 H new ATOM 1443 N SER A 94 -5.081 -31.096 8.108 1.00 1.88 N ATOM 1444 CA SER A 94 -4.670 -32.378 8.746 1.00 1.99 C ATOM 1445 C SER A 94 -4.633 -33.494 7.699 1.00 2.08 C ATOM 1446 O SER A 94 -4.013 -34.520 7.896 1.00 2.18 O ATOM 1447 CB SER A 94 -5.671 -32.744 9.843 1.00 2.02 C ATOM 1448 OG SER A 94 -5.563 -34.132 10.132 1.00 2.30 O ATOM 0 H SER A 94 -5.979 -30.726 8.419 1.00 1.88 H new ATOM 0 HA SER A 94 -3.677 -32.260 9.179 1.00 1.99 H new ATOM 0 HB2 SER A 94 -5.475 -32.157 10.741 1.00 2.02 H new ATOM 0 HB3 SER A 94 -6.685 -32.505 9.521 1.00 2.02 H new ATOM 0 HG SER A 94 -6.202 -34.370 10.836 1.00 2.30 H new ATOM 1454 N ASN A 95 -5.293 -33.309 6.588 1.00 2.07 N ATOM 1455 CA ASN A 95 -5.289 -34.370 5.540 1.00 2.17 C ATOM 1456 C ASN A 95 -3.951 -34.360 4.797 1.00 2.20 C ATOM 1457 O ASN A 95 -3.450 -35.393 4.399 1.00 2.31 O ATOM 1458 CB ASN A 95 -6.425 -34.119 4.545 1.00 2.16 C ATOM 1459 CG ASN A 95 -7.767 -34.150 5.280 1.00 2.51 C ATOM 1460 OD1 ASN A 95 -7.858 -34.654 6.381 1.00 2.83 O ATOM 1461 ND2 ASN A 95 -8.820 -33.628 4.713 1.00 3.02 N ATOM 0 H ASN A 95 -5.832 -32.474 6.361 1.00 2.07 H new ATOM 0 HA ASN A 95 -5.431 -35.340 6.016 1.00 2.17 H new ATOM 0 HB2 ASN A 95 -6.288 -33.154 4.057 1.00 2.16 H new ATOM 0 HB3 ASN A 95 -6.410 -34.877 3.762 1.00 2.16 H new ATOM 0 HD21 ASN A 95 -9.719 -33.643 5.195 1.00 3.02 H new ATOM 0 HD22 ASN A 95 -8.744 -33.205 3.788 1.00 3.02 H new ATOM 1468 N GLU A 96 -3.365 -33.201 4.606 1.00 2.10 N ATOM 1469 CA GLU A 96 -2.052 -33.123 3.884 1.00 2.14 C ATOM 1470 C GLU A 96 -0.923 -32.912 4.897 1.00 2.14 C ATOM 1471 O GLU A 96 0.149 -33.469 4.772 1.00 2.22 O ATOM 1472 CB GLU A 96 -2.081 -31.950 2.892 1.00 2.07 C ATOM 1473 CG GLU A 96 -2.809 -30.756 3.519 1.00 2.07 C ATOM 1474 CD GLU A 96 -2.450 -29.476 2.758 1.00 2.37 C ATOM 1475 OE1 GLU A 96 -2.932 -29.316 1.649 1.00 2.75 O ATOM 1476 OE2 GLU A 96 -1.701 -28.680 3.298 1.00 2.79 O ATOM 0 H GLU A 96 -3.739 -32.305 4.919 1.00 2.10 H new ATOM 0 HA GLU A 96 -1.881 -34.052 3.340 1.00 2.14 H new ATOM 0 HB2 GLU A 96 -1.064 -31.666 2.621 1.00 2.07 H new ATOM 0 HB3 GLU A 96 -2.583 -32.252 1.973 1.00 2.07 H new ATOM 0 HG2 GLU A 96 -3.886 -30.918 3.490 1.00 2.07 H new ATOM 0 HG3 GLU A 96 -2.530 -30.657 4.568 1.00 2.07 H new ATOM 1483 N TYR A 97 -1.156 -32.112 5.899 1.00 2.07 N ATOM 1484 CA TYR A 97 -0.099 -31.866 6.919 1.00 2.10 C ATOM 1485 C TYR A 97 0.429 -33.206 7.436 1.00 2.19 C ATOM 1486 O TYR A 97 1.598 -33.352 7.733 1.00 2.23 O ATOM 1487 CB TYR A 97 -0.695 -31.064 8.079 1.00 2.03 C ATOM 1488 CG TYR A 97 0.324 -30.940 9.189 1.00 2.11 C ATOM 1489 CD1 TYR A 97 1.381 -30.031 9.070 1.00 2.18 C ATOM 1490 CD2 TYR A 97 0.210 -31.736 10.336 1.00 2.17 C ATOM 1491 CE1 TYR A 97 2.325 -29.916 10.098 1.00 2.30 C ATOM 1492 CE2 TYR A 97 1.154 -31.621 11.363 1.00 2.29 C ATOM 1493 CZ TYR A 97 2.211 -30.711 11.244 1.00 2.35 C ATOM 1494 OH TYR A 97 3.142 -30.598 12.257 1.00 2.50 O ATOM 0 H TYR A 97 -2.034 -31.617 6.056 1.00 2.07 H new ATOM 0 HA TYR A 97 0.721 -31.304 6.472 1.00 2.10 H new ATOM 0 HB2 TYR A 97 -0.993 -30.074 7.734 1.00 2.03 H new ATOM 0 HB3 TYR A 97 -1.594 -31.556 8.450 1.00 2.03 H new ATOM 0 HD1 TYR A 97 1.469 -29.418 8.185 1.00 2.18 H new ATOM 0 HD2 TYR A 97 -0.606 -32.438 10.428 1.00 2.17 H new ATOM 0 HE1 TYR A 97 3.141 -29.214 10.006 1.00 2.30 H new ATOM 0 HE2 TYR A 97 1.067 -32.235 12.248 1.00 2.29 H new ATOM 0 HH TYR A 97 2.916 -31.220 12.980 1.00 2.50 H new ATOM 1504 N SER A 98 -0.425 -34.187 7.546 1.00 2.25 N ATOM 1505 CA SER A 98 0.028 -35.516 8.043 1.00 2.37 C ATOM 1506 C SER A 98 0.921 -36.176 6.990 1.00 2.60 C ATOM 1507 O SER A 98 1.653 -35.459 6.329 1.00 2.98 O ATOM 1508 CB SER A 98 -1.189 -36.403 8.307 1.00 2.55 C ATOM 1509 OG SER A 98 -1.884 -35.917 9.449 1.00 2.98 O ATOM 1510 OXT SER A 98 0.857 -37.388 6.863 1.00 2.90 O ATOM 0 H SER A 98 -1.416 -34.125 7.313 1.00 2.25 H new ATOM 0 HA SER A 98 0.591 -35.386 8.968 1.00 2.37 H new ATOM 0 HB2 SER A 98 -1.848 -36.404 7.439 1.00 2.55 H new ATOM 0 HB3 SER A 98 -0.874 -37.434 8.470 1.00 2.55 H new ATOM 0 HG SER A 98 -2.655 -35.385 9.161 1.00 2.98 H new TER 1516 SER A 98 HETATM 1517 ZN ZN A 301 -5.032 12.301 -3.275 1.00 0.29 ZN HETATM 1518 ZN ZN A 302 -8.504 -9.046 -0.738 1.00 0.57 ZN HETATM 1519 ZN ZN A 303 -10.841 -26.805 3.285 1.00 1.59 ZN