USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 846 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 58 SER OG : rot -89:sc= 0.517 USER MOD Set 1.2: A 67 HIS : no HD1:sc= -1.82! X(o=-1.3!,f=-1.3) USER MOD Set 2.1: A 38 GLN : amide:sc= -0.562 K(o=-1.9,f=-2.9) USER MOD Set 2.2: A 42 MET CE :methyl -175:sc= -1.35 (180deg=-1.33) USER MOD Set 3.1: A 22 TYR OH : rot 39:sc= 0.386 USER MOD Set 3.2: A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -117:sc= 0.106 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 17:sc= 0.196 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -24:sc= 1.12 USER MOD Single : A 16 SER OG : rot -98:sc= -0.12! USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.173 K(o=-0.17,f=-2!) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -1.05 K(o=-1,f=0) USER MOD Single : A 40 HIS : no HE2:sc=-0.00689 X(o=-0.0069,f=-0.26) USER MOD Single : A 48 SER OG : rot 110:sc= -0.137 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 CYS SG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 89:sc= 0.796 USER MOD Single : A 62 ASN : amide:sc= -3.58! K(o=-3.6!,f=-0.25) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot -160:sc= -0.316 USER MOD Single : A 68 TYR OH : rot 180:sc= -0.303 USER MOD Single : A 71 ASN : amide:sc= -0.179 X(o=-0.18,f=-0.41) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -2.19 K(o=-2.2,f=-8.1!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= -0.0488 X(o=-0.049,f=-0.26) USER MOD Single : A 87 HIS : no HD1:sc= -9.24! C(o=-9.2!,f=-12!) USER MOD Single : A 95 TYR OH : rot 110:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.171) USER MOD Single : A 98 HIS : no HD1:sc= -1.42 K(o=-1.4,f=-0.38) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot -42:sc= 0.339 USER MOD Single : A 103 THR OG1 : rot 180:sc= -0.0147 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.487 19.507 -27.773 1.00 0.00 N ATOM 2 CA GLY A 1 -3.115 18.676 -26.642 1.00 0.00 C ATOM 3 C GLY A 1 -3.195 19.421 -25.325 1.00 0.00 C ATOM 4 O GLY A 1 -3.456 20.624 -25.298 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.336 19.114 -28.228 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.687 20.473 -27.443 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.706 19.530 -28.459 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.770 17.805 -26.604 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.100 18.306 -26.785 1.00 0.00 H new ATOM 8 N SER A 2 -2.972 18.705 -24.227 1.00 0.00 N ATOM 9 CA SER A 2 -3.025 19.304 -22.899 1.00 0.00 C ATOM 10 C SER A 2 -1.676 19.189 -22.196 1.00 0.00 C ATOM 11 O SER A 2 -1.320 18.128 -21.683 1.00 0.00 O ATOM 12 CB SER A 2 -4.111 18.632 -22.057 1.00 0.00 C ATOM 13 OG SER A 2 -4.521 19.471 -20.990 1.00 0.00 O ATOM 0 H SER A 2 -2.753 17.709 -24.231 1.00 0.00 H new ATOM 0 HA SER A 2 -3.266 20.361 -23.014 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.968 18.394 -22.687 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.736 17.689 -21.659 1.00 0.00 H new ATOM 0 HG SER A 2 -5.217 19.020 -20.468 1.00 0.00 H new ATOM 19 N SER A 3 -0.929 20.288 -22.178 1.00 0.00 N ATOM 20 CA SER A 3 0.383 20.310 -21.542 1.00 0.00 C ATOM 21 C SER A 3 0.305 20.948 -20.158 1.00 0.00 C ATOM 22 O SER A 3 1.172 21.730 -19.773 1.00 0.00 O ATOM 23 CB SER A 3 1.382 21.075 -22.412 1.00 0.00 C ATOM 24 OG SER A 3 0.878 22.352 -22.766 1.00 0.00 O ATOM 0 H SER A 3 -1.210 21.175 -22.596 1.00 0.00 H new ATOM 0 HA SER A 3 0.723 19.280 -21.430 1.00 0.00 H new ATOM 0 HB2 SER A 3 2.324 21.188 -21.875 1.00 0.00 H new ATOM 0 HB3 SER A 3 1.596 20.502 -23.314 1.00 0.00 H new ATOM 0 HG SER A 3 1.536 22.821 -23.320 1.00 0.00 H new ATOM 30 N GLY A 4 -0.743 20.606 -19.414 1.00 0.00 N ATOM 31 CA GLY A 4 -0.916 21.153 -18.081 1.00 0.00 C ATOM 32 C GLY A 4 -0.690 20.119 -16.996 1.00 0.00 C ATOM 33 O GLY A 4 0.104 19.193 -17.167 1.00 0.00 O ATOM 0 H GLY A 4 -1.475 19.960 -19.711 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.222 21.982 -17.939 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.923 21.560 -17.987 1.00 0.00 H new ATOM 37 N SER A 5 -1.388 20.276 -15.876 1.00 0.00 N ATOM 38 CA SER A 5 -1.255 19.351 -14.756 1.00 0.00 C ATOM 39 C SER A 5 0.172 19.353 -14.216 1.00 0.00 C ATOM 40 O SER A 5 0.726 18.303 -13.894 1.00 0.00 O ATOM 41 CB SER A 5 -1.648 17.937 -15.186 1.00 0.00 C ATOM 42 OG SER A 5 -3.048 17.834 -15.384 1.00 0.00 O ATOM 0 H SER A 5 -2.051 21.035 -15.720 1.00 0.00 H new ATOM 0 HA SER A 5 -1.925 19.681 -13.962 1.00 0.00 H new ATOM 0 HB2 SER A 5 -1.127 17.676 -16.107 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.331 17.222 -14.427 1.00 0.00 H new ATOM 0 HG SER A 5 -3.273 16.921 -15.660 1.00 0.00 H new ATOM 48 N SER A 6 0.760 20.541 -14.121 1.00 0.00 N ATOM 49 CA SER A 6 2.124 20.681 -13.624 1.00 0.00 C ATOM 50 C SER A 6 2.129 21.202 -12.190 1.00 0.00 C ATOM 51 O SER A 6 1.718 22.331 -11.927 1.00 0.00 O ATOM 52 CB SER A 6 2.923 21.625 -14.525 1.00 0.00 C ATOM 53 OG SER A 6 2.933 21.165 -15.865 1.00 0.00 O ATOM 0 H SER A 6 0.314 21.420 -14.381 1.00 0.00 H new ATOM 0 HA SER A 6 2.592 19.697 -13.636 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.491 22.625 -14.484 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.946 21.705 -14.157 1.00 0.00 H new ATOM 0 HG SER A 6 3.448 21.787 -16.420 1.00 0.00 H new ATOM 59 N GLY A 7 2.598 20.369 -11.266 1.00 0.00 N ATOM 60 CA GLY A 7 2.648 20.762 -9.870 1.00 0.00 C ATOM 61 C GLY A 7 2.103 19.691 -8.946 1.00 0.00 C ATOM 62 O GLY A 7 1.916 18.545 -9.356 1.00 0.00 O ATOM 0 H GLY A 7 2.944 19.429 -11.459 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.679 20.984 -9.595 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.077 21.680 -9.734 1.00 0.00 H new ATOM 66 N MET A 8 1.849 20.063 -7.696 1.00 0.00 N ATOM 67 CA MET A 8 1.322 19.125 -6.712 1.00 0.00 C ATOM 68 C MET A 8 0.006 18.519 -7.188 1.00 0.00 C ATOM 69 O MET A 8 -0.750 19.154 -7.923 1.00 0.00 O ATOM 70 CB MET A 8 1.118 19.825 -5.367 1.00 0.00 C ATOM 71 CG MET A 8 0.004 20.859 -5.383 1.00 0.00 C ATOM 72 SD MET A 8 -0.706 21.141 -3.750 1.00 0.00 S ATOM 73 CE MET A 8 -2.316 20.382 -3.945 1.00 0.00 C ATOM 0 H MET A 8 2.000 21.007 -7.341 1.00 0.00 H new ATOM 0 HA MET A 8 2.048 18.321 -6.589 1.00 0.00 H new ATOM 0 HB2 MET A 8 0.896 19.076 -4.607 1.00 0.00 H new ATOM 0 HB3 MET A 8 2.049 20.310 -5.074 1.00 0.00 H new ATOM 0 HG2 MET A 8 0.392 21.800 -5.773 1.00 0.00 H new ATOM 0 HG3 MET A 8 -0.781 20.531 -6.064 1.00 0.00 H new ATOM 0 HE1 MET A 8 -2.877 20.475 -3.015 1.00 0.00 H new ATOM 0 HE2 MET A 8 -2.859 20.881 -4.748 1.00 0.00 H new ATOM 0 HE3 MET A 8 -2.194 19.327 -4.191 1.00 0.00 H new ATOM 83 N SER A 9 -0.261 17.287 -6.765 1.00 0.00 N ATOM 84 CA SER A 9 -1.484 16.594 -7.152 1.00 0.00 C ATOM 85 C SER A 9 -1.953 15.659 -6.042 1.00 0.00 C ATOM 86 O SER A 9 -1.218 14.771 -5.611 1.00 0.00 O ATOM 87 CB SER A 9 -1.260 15.802 -8.441 1.00 0.00 C ATOM 88 OG SER A 9 -1.328 16.647 -9.577 1.00 0.00 O ATOM 0 H SER A 9 0.353 16.749 -6.154 1.00 0.00 H new ATOM 0 HA SER A 9 -2.258 17.342 -7.324 1.00 0.00 H new ATOM 0 HB2 SER A 9 -0.287 15.312 -8.406 1.00 0.00 H new ATOM 0 HB3 SER A 9 -2.010 15.016 -8.523 1.00 0.00 H new ATOM 0 HG SER A 9 -1.232 17.581 -9.296 1.00 0.00 H new ATOM 94 N SER A 10 -3.183 15.866 -5.582 1.00 0.00 N ATOM 95 CA SER A 10 -3.750 15.045 -4.519 1.00 0.00 C ATOM 96 C SER A 10 -3.730 13.568 -4.904 1.00 0.00 C ATOM 97 O SER A 10 -3.205 13.196 -5.953 1.00 0.00 O ATOM 98 CB SER A 10 -5.184 15.484 -4.216 1.00 0.00 C ATOM 99 OG SER A 10 -5.246 16.875 -3.952 1.00 0.00 O ATOM 0 H SER A 10 -3.806 16.595 -5.929 1.00 0.00 H new ATOM 0 HA SER A 10 -3.140 15.179 -3.626 1.00 0.00 H new ATOM 0 HB2 SER A 10 -5.828 15.242 -5.061 1.00 0.00 H new ATOM 0 HB3 SER A 10 -5.564 14.930 -3.357 1.00 0.00 H new ATOM 0 HG SER A 10 -6.173 17.131 -3.763 1.00 0.00 H new ATOM 105 N ALA A 11 -4.305 12.732 -4.046 1.00 0.00 N ATOM 106 CA ALA A 11 -4.356 11.297 -4.296 1.00 0.00 C ATOM 107 C ALA A 11 -4.880 11.001 -5.697 1.00 0.00 C ATOM 108 O ALA A 11 -6.089 10.974 -5.925 1.00 0.00 O ATOM 109 CB ALA A 11 -5.222 10.609 -3.251 1.00 0.00 C ATOM 0 H ALA A 11 -4.742 13.024 -3.172 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.341 10.906 -4.226 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -5.251 9.538 -3.450 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.803 10.782 -2.260 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -6.233 11.013 -3.293 1.00 0.00 H new ATOM 115 N ARG A 12 -3.962 10.782 -6.633 1.00 0.00 N ATOM 116 CA ARG A 12 -4.332 10.490 -8.013 1.00 0.00 C ATOM 117 C ARG A 12 -3.616 9.240 -8.515 1.00 0.00 C ATOM 118 O ARG A 12 -2.453 9.296 -8.914 1.00 0.00 O ATOM 119 CB ARG A 12 -3.998 11.680 -8.915 1.00 0.00 C ATOM 120 CG ARG A 12 -4.879 11.774 -10.150 1.00 0.00 C ATOM 121 CD ARG A 12 -4.348 10.908 -11.281 1.00 0.00 C ATOM 122 NE ARG A 12 -5.325 10.750 -12.355 1.00 0.00 N ATOM 123 CZ ARG A 12 -5.297 9.754 -13.233 1.00 0.00 C ATOM 124 NH1 ARG A 12 -4.346 8.832 -13.165 1.00 0.00 N ATOM 125 NH2 ARG A 12 -6.221 9.678 -14.182 1.00 0.00 N ATOM 0 H ARG A 12 -2.957 10.801 -6.461 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.406 10.309 -8.045 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -4.095 12.600 -8.339 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -2.956 11.608 -9.227 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -5.893 11.464 -9.899 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -4.935 12.811 -10.480 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -3.438 11.354 -11.682 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -4.077 9.927 -10.890 1.00 0.00 H new ATOM 0 HE ARG A 12 -6.070 11.443 -12.435 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -3.634 8.887 -12.437 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -4.327 8.068 -13.841 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -6.954 10.385 -14.238 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -6.198 8.913 -14.856 1.00 0.00 H new ATOM 139 N PHE A 13 -4.319 8.113 -8.492 1.00 0.00 N ATOM 140 CA PHE A 13 -3.750 6.848 -8.944 1.00 0.00 C ATOM 141 C PHE A 13 -4.801 5.742 -8.927 1.00 0.00 C ATOM 142 O PHE A 13 -5.937 5.957 -8.505 1.00 0.00 O ATOM 143 CB PHE A 13 -2.564 6.453 -8.061 1.00 0.00 C ATOM 144 CG PHE A 13 -2.963 6.029 -6.677 1.00 0.00 C ATOM 145 CD1 PHE A 13 -3.350 6.969 -5.735 1.00 0.00 C ATOM 146 CD2 PHE A 13 -2.950 4.691 -6.317 1.00 0.00 C ATOM 147 CE1 PHE A 13 -3.717 6.581 -4.460 1.00 0.00 C ATOM 148 CE2 PHE A 13 -3.316 4.298 -5.044 1.00 0.00 C ATOM 149 CZ PHE A 13 -3.701 5.244 -4.114 1.00 0.00 C ATOM 0 H PHE A 13 -5.283 8.049 -8.165 1.00 0.00 H new ATOM 0 HA PHE A 13 -3.403 6.980 -9.969 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -2.020 5.638 -8.539 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -1.877 7.296 -7.990 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -3.365 8.016 -6.000 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -2.650 3.947 -7.040 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -4.016 7.323 -3.735 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -3.301 3.252 -4.776 1.00 0.00 H new ATOM 0 HZ PHE A 13 -3.989 4.939 -3.119 1.00 0.00 H new ATOM 159 N ASP A 14 -4.414 4.559 -9.391 1.00 0.00 N ATOM 160 CA ASP A 14 -5.321 3.418 -9.429 1.00 0.00 C ATOM 161 C ASP A 14 -4.901 2.355 -8.420 1.00 0.00 C ATOM 162 O ASP A 14 -3.979 1.578 -8.669 1.00 0.00 O ATOM 163 CB ASP A 14 -5.361 2.818 -10.835 1.00 0.00 C ATOM 164 CG ASP A 14 -6.493 1.824 -11.009 1.00 0.00 C ATOM 165 OD1 ASP A 14 -7.151 1.493 -10.001 1.00 0.00 O ATOM 166 OD2 ASP A 14 -6.719 1.377 -12.153 1.00 0.00 O ATOM 0 H ASP A 14 -3.478 4.365 -9.746 1.00 0.00 H new ATOM 0 HA ASP A 14 -6.318 3.769 -9.164 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -5.470 3.619 -11.566 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -4.412 2.324 -11.043 1.00 0.00 H new ATOM 171 N SER A 15 -5.582 2.326 -7.279 1.00 0.00 N ATOM 172 CA SER A 15 -5.276 1.361 -6.229 1.00 0.00 C ATOM 173 C SER A 15 -5.385 -0.066 -6.755 1.00 0.00 C ATOM 174 O SER A 15 -4.739 -0.980 -6.242 1.00 0.00 O ATOM 175 CB SER A 15 -6.219 1.553 -5.040 1.00 0.00 C ATOM 176 OG SER A 15 -6.090 2.852 -4.490 1.00 0.00 O ATOM 0 H SER A 15 -6.350 2.960 -7.058 1.00 0.00 H new ATOM 0 HA SER A 15 -4.251 1.531 -5.901 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.249 1.391 -5.359 1.00 0.00 H new ATOM 0 HB3 SER A 15 -6.001 0.808 -4.275 1.00 0.00 H new ATOM 0 HG SER A 15 -5.207 3.214 -4.711 1.00 0.00 H new ATOM 182 N SER A 16 -6.207 -0.250 -7.784 1.00 0.00 N ATOM 183 CA SER A 16 -6.405 -1.567 -8.378 1.00 0.00 C ATOM 184 C SER A 16 -5.189 -1.979 -9.203 1.00 0.00 C ATOM 185 O SER A 16 -4.748 -3.127 -9.148 1.00 0.00 O ATOM 186 CB SER A 16 -7.657 -1.570 -9.257 1.00 0.00 C ATOM 187 OG SER A 16 -7.372 -1.071 -10.553 1.00 0.00 O ATOM 0 H SER A 16 -6.746 0.496 -8.223 1.00 0.00 H new ATOM 0 HA SER A 16 -6.535 -2.287 -7.570 1.00 0.00 H new ATOM 0 HB2 SER A 16 -8.050 -2.584 -9.333 1.00 0.00 H new ATOM 0 HB3 SER A 16 -8.433 -0.962 -8.792 1.00 0.00 H new ATOM 0 HG SER A 16 -7.632 -0.128 -10.605 1.00 0.00 H new ATOM 193 N ASP A 17 -4.653 -1.033 -9.967 1.00 0.00 N ATOM 194 CA ASP A 17 -3.488 -1.296 -10.804 1.00 0.00 C ATOM 195 C ASP A 17 -2.266 -1.617 -9.949 1.00 0.00 C ATOM 196 O ASP A 17 -1.633 -0.721 -9.392 1.00 0.00 O ATOM 197 CB ASP A 17 -3.196 -0.092 -11.700 1.00 0.00 C ATOM 198 CG ASP A 17 -2.133 -0.389 -12.741 1.00 0.00 C ATOM 199 OD1 ASP A 17 -1.006 -0.757 -12.349 1.00 0.00 O ATOM 200 OD2 ASP A 17 -2.430 -0.255 -13.946 1.00 0.00 O ATOM 0 H ASP A 17 -5.006 -0.078 -10.024 1.00 0.00 H new ATOM 0 HA ASP A 17 -3.709 -2.161 -11.430 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -4.114 0.216 -12.200 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.872 0.746 -11.083 1.00 0.00 H new ATOM 205 N ARG A 18 -1.942 -2.902 -9.848 1.00 0.00 N ATOM 206 CA ARG A 18 -0.798 -3.342 -9.059 1.00 0.00 C ATOM 207 C ARG A 18 0.510 -2.881 -9.694 1.00 0.00 C ATOM 208 O ARG A 18 1.463 -2.534 -8.995 1.00 0.00 O ATOM 209 CB ARG A 18 -0.802 -4.866 -8.922 1.00 0.00 C ATOM 210 CG ARG A 18 -1.555 -5.366 -7.700 1.00 0.00 C ATOM 211 CD ARG A 18 -2.129 -6.755 -7.930 1.00 0.00 C ATOM 212 NE ARG A 18 -3.360 -6.970 -7.173 1.00 0.00 N ATOM 213 CZ ARG A 18 -4.552 -6.541 -7.572 1.00 0.00 C ATOM 214 NH1 ARG A 18 -4.674 -5.877 -8.713 1.00 0.00 N ATOM 215 NH2 ARG A 18 -5.626 -6.776 -6.828 1.00 0.00 N ATOM 0 H ARG A 18 -2.456 -3.657 -10.303 1.00 0.00 H new ATOM 0 HA ARG A 18 -0.878 -2.895 -8.068 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -1.248 -5.301 -9.816 1.00 0.00 H new ATOM 0 HB3 ARG A 18 0.228 -5.221 -8.874 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -0.884 -5.386 -6.841 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.361 -4.673 -7.459 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.328 -6.894 -8.993 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -1.391 -7.504 -7.643 1.00 0.00 H new ATOM 0 HE ARG A 18 -3.301 -7.477 -6.290 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.851 -5.694 -9.287 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -5.591 -5.549 -9.017 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -5.536 -7.286 -5.949 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -6.541 -6.446 -7.135 1.00 0.00 H new ATOM 229 N SER A 19 0.549 -2.880 -11.022 1.00 0.00 N ATOM 230 CA SER A 19 1.742 -2.465 -11.752 1.00 0.00 C ATOM 231 C SER A 19 2.027 -0.983 -11.529 1.00 0.00 C ATOM 232 O SER A 19 3.032 -0.455 -12.004 1.00 0.00 O ATOM 233 CB SER A 19 1.574 -2.745 -13.247 1.00 0.00 C ATOM 234 OG SER A 19 2.830 -2.943 -13.873 1.00 0.00 O ATOM 0 H SER A 19 -0.232 -3.162 -11.615 1.00 0.00 H new ATOM 0 HA SER A 19 2.587 -3.040 -11.375 1.00 0.00 H new ATOM 0 HB2 SER A 19 0.951 -3.628 -13.387 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.056 -1.911 -13.720 1.00 0.00 H new ATOM 0 HG SER A 19 2.695 -3.122 -14.827 1.00 0.00 H new ATOM 240 N ALA A 20 1.135 -0.318 -10.803 1.00 0.00 N ATOM 241 CA ALA A 20 1.291 1.102 -10.515 1.00 0.00 C ATOM 242 C ALA A 20 1.819 1.321 -9.101 1.00 0.00 C ATOM 243 O ALA A 20 2.537 2.286 -8.839 1.00 0.00 O ATOM 244 CB ALA A 20 -0.034 1.827 -10.703 1.00 0.00 C ATOM 0 H ALA A 20 0.297 -0.740 -10.403 1.00 0.00 H new ATOM 0 HA ALA A 20 2.020 1.511 -11.215 1.00 0.00 H new ATOM 0 HB1 ALA A 20 0.097 2.887 -10.485 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -0.371 1.708 -11.733 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -0.778 1.406 -10.027 1.00 0.00 H new ATOM 250 N TRP A 21 1.460 0.419 -8.194 1.00 0.00 N ATOM 251 CA TRP A 21 1.899 0.515 -6.807 1.00 0.00 C ATOM 252 C TRP A 21 2.609 -0.762 -6.371 1.00 0.00 C ATOM 253 O TRP A 21 3.666 -0.712 -5.741 1.00 0.00 O ATOM 254 CB TRP A 21 0.704 0.787 -5.890 1.00 0.00 C ATOM 255 CG TRP A 21 -0.437 -0.161 -6.106 1.00 0.00 C ATOM 256 CD1 TRP A 21 -1.532 0.042 -6.896 1.00 0.00 C ATOM 257 CD2 TRP A 21 -0.596 -1.458 -5.520 1.00 0.00 C ATOM 258 NE1 TRP A 21 -2.363 -1.051 -6.837 1.00 0.00 N ATOM 259 CE2 TRP A 21 -1.810 -1.985 -6.001 1.00 0.00 C ATOM 260 CE3 TRP A 21 0.170 -2.225 -4.639 1.00 0.00 C ATOM 261 CZ2 TRP A 21 -2.274 -3.244 -5.628 1.00 0.00 C ATOM 262 CZ3 TRP A 21 -0.292 -3.474 -4.270 1.00 0.00 C ATOM 263 CH2 TRP A 21 -1.504 -3.974 -4.764 1.00 0.00 C ATOM 0 H TRP A 21 0.867 -0.386 -8.394 1.00 0.00 H new ATOM 0 HA TRP A 21 2.603 1.344 -6.731 1.00 0.00 H new ATOM 0 HB2 TRP A 21 1.029 0.722 -4.852 1.00 0.00 H new ATOM 0 HB3 TRP A 21 0.355 1.807 -6.052 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -1.718 0.931 -7.481 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -3.248 -1.151 -7.335 1.00 0.00 H new ATOM 0 HE3 TRP A 21 1.106 -1.849 -4.253 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -3.208 -3.630 -6.007 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 0.292 -4.075 -3.589 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -1.837 -4.954 -4.457 1.00 0.00 H new ATOM 274 N TYR A 22 2.023 -1.905 -6.710 1.00 0.00 N ATOM 275 CA TYR A 22 2.599 -3.195 -6.352 1.00 0.00 C ATOM 276 C TYR A 22 4.002 -3.345 -6.932 1.00 0.00 C ATOM 277 O TYR A 22 4.172 -3.512 -8.139 1.00 0.00 O ATOM 278 CB TYR A 22 1.705 -4.333 -6.849 1.00 0.00 C ATOM 279 CG TYR A 22 2.053 -5.679 -6.257 1.00 0.00 C ATOM 280 CD1 TYR A 22 2.332 -5.814 -4.902 1.00 0.00 C ATOM 281 CD2 TYR A 22 2.102 -6.818 -7.051 1.00 0.00 C ATOM 282 CE1 TYR A 22 2.651 -7.042 -4.357 1.00 0.00 C ATOM 283 CE2 TYR A 22 2.418 -8.051 -6.514 1.00 0.00 C ATOM 284 CZ TYR A 22 2.693 -8.158 -5.167 1.00 0.00 C ATOM 285 OH TYR A 22 3.008 -9.384 -4.627 1.00 0.00 O ATOM 0 H TYR A 22 1.149 -1.964 -7.233 1.00 0.00 H new ATOM 0 HA TYR A 22 2.667 -3.244 -5.265 1.00 0.00 H new ATOM 0 HB2 TYR A 22 0.667 -4.099 -6.612 1.00 0.00 H new ATOM 0 HB3 TYR A 22 1.778 -4.393 -7.935 1.00 0.00 H new ATOM 0 HD1 TYR A 22 2.299 -4.943 -4.264 1.00 0.00 H new ATOM 0 HD2 TYR A 22 1.889 -6.738 -8.107 1.00 0.00 H new ATOM 0 HE1 TYR A 22 2.866 -7.128 -3.302 1.00 0.00 H new ATOM 0 HE2 TYR A 22 2.449 -8.926 -7.146 1.00 0.00 H new ATOM 0 HH TYR A 22 2.592 -9.469 -3.744 1.00 0.00 H new ATOM 295 N MET A 23 5.005 -3.285 -6.061 1.00 0.00 N ATOM 296 CA MET A 23 6.394 -3.415 -6.485 1.00 0.00 C ATOM 297 C MET A 23 6.827 -4.878 -6.484 1.00 0.00 C ATOM 298 O MET A 23 7.953 -5.202 -6.860 1.00 0.00 O ATOM 299 CB MET A 23 7.308 -2.599 -5.570 1.00 0.00 C ATOM 300 CG MET A 23 6.894 -1.143 -5.439 1.00 0.00 C ATOM 301 SD MET A 23 7.649 -0.090 -6.693 1.00 0.00 S ATOM 302 CE MET A 23 6.239 0.890 -7.205 1.00 0.00 C ATOM 0 H MET A 23 4.881 -3.147 -5.058 1.00 0.00 H new ATOM 0 HA MET A 23 6.475 -3.031 -7.502 1.00 0.00 H new ATOM 0 HB2 MET A 23 7.319 -3.056 -4.580 1.00 0.00 H new ATOM 0 HB3 MET A 23 8.327 -2.645 -5.953 1.00 0.00 H new ATOM 0 HG2 MET A 23 5.809 -1.070 -5.514 1.00 0.00 H new ATOM 0 HG3 MET A 23 7.170 -0.778 -4.450 1.00 0.00 H new ATOM 0 HE1 MET A 23 6.546 1.592 -7.980 1.00 0.00 H new ATOM 0 HE2 MET A 23 5.463 0.233 -7.597 1.00 0.00 H new ATOM 0 HE3 MET A 23 5.849 1.442 -6.349 1.00 0.00 H new ATOM 312 N GLY A 24 5.926 -5.758 -6.058 1.00 0.00 N ATOM 313 CA GLY A 24 6.235 -7.175 -6.016 1.00 0.00 C ATOM 314 C GLY A 24 7.710 -7.440 -5.788 1.00 0.00 C ATOM 315 O GLY A 24 8.179 -7.524 -4.653 1.00 0.00 O ATOM 0 H GLY A 24 4.987 -5.515 -5.741 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.657 -7.646 -5.221 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.926 -7.639 -6.953 1.00 0.00 H new ATOM 319 N PRO A 25 8.467 -7.579 -6.886 1.00 0.00 N ATOM 320 CA PRO A 25 9.908 -7.839 -6.827 1.00 0.00 C ATOM 321 C PRO A 25 10.694 -6.636 -6.318 1.00 0.00 C ATOM 322 O PRO A 25 11.293 -5.897 -7.099 1.00 0.00 O ATOM 323 CB PRO A 25 10.274 -8.140 -8.282 1.00 0.00 C ATOM 324 CG PRO A 25 9.236 -7.438 -9.087 1.00 0.00 C ATOM 325 CD PRO A 25 7.974 -7.490 -8.271 1.00 0.00 C ATOM 0 HA PRO A 25 10.148 -8.648 -6.137 1.00 0.00 H new ATOM 0 HB2 PRO A 25 11.273 -7.777 -8.522 1.00 0.00 H new ATOM 0 HB3 PRO A 25 10.269 -9.212 -8.478 1.00 0.00 H new ATOM 0 HG2 PRO A 25 9.529 -6.407 -9.288 1.00 0.00 H new ATOM 0 HG3 PRO A 25 9.097 -7.924 -10.053 1.00 0.00 H new ATOM 0 HD2 PRO A 25 7.360 -6.602 -8.423 1.00 0.00 H new ATOM 0 HD3 PRO A 25 7.360 -8.351 -8.535 1.00 0.00 H new ATOM 333 N VAL A 26 10.688 -6.445 -5.002 1.00 0.00 N ATOM 334 CA VAL A 26 11.403 -5.332 -4.388 1.00 0.00 C ATOM 335 C VAL A 26 11.713 -5.619 -2.924 1.00 0.00 C ATOM 336 O VAL A 26 10.982 -6.349 -2.255 1.00 0.00 O ATOM 337 CB VAL A 26 10.593 -4.025 -4.483 1.00 0.00 C ATOM 338 CG1 VAL A 26 11.192 -2.959 -3.578 1.00 0.00 C ATOM 339 CG2 VAL A 26 10.531 -3.540 -5.923 1.00 0.00 C ATOM 0 H VAL A 26 10.196 -7.046 -4.341 1.00 0.00 H new ATOM 0 HA VAL A 26 12.337 -5.213 -4.937 1.00 0.00 H new ATOM 0 HB VAL A 26 9.575 -4.223 -4.147 1.00 0.00 H new ATOM 0 HG11 VAL A 26 10.607 -2.043 -3.658 1.00 0.00 H new ATOM 0 HG12 VAL A 26 11.179 -3.309 -2.546 1.00 0.00 H new ATOM 0 HG13 VAL A 26 12.220 -2.760 -3.881 1.00 0.00 H new ATOM 0 HG21 VAL A 26 9.955 -2.616 -5.971 1.00 0.00 H new ATOM 0 HG22 VAL A 26 11.541 -3.357 -6.289 1.00 0.00 H new ATOM 0 HG23 VAL A 26 10.052 -4.299 -6.542 1.00 0.00 H new ATOM 349 N SER A 27 12.803 -5.040 -2.431 1.00 0.00 N ATOM 350 CA SER A 27 13.214 -5.236 -1.045 1.00 0.00 C ATOM 351 C SER A 27 13.238 -3.909 -0.293 1.00 0.00 C ATOM 352 O SER A 27 13.115 -2.841 -0.892 1.00 0.00 O ATOM 353 CB SER A 27 14.594 -5.893 -0.988 1.00 0.00 C ATOM 354 OG SER A 27 14.515 -7.273 -1.299 1.00 0.00 O ATOM 0 H SER A 27 13.418 -4.431 -2.971 1.00 0.00 H new ATOM 0 HA SER A 27 12.488 -5.892 -0.566 1.00 0.00 H new ATOM 0 HB2 SER A 27 15.266 -5.397 -1.689 1.00 0.00 H new ATOM 0 HB3 SER A 27 15.020 -5.765 0.007 1.00 0.00 H new ATOM 0 HG SER A 27 15.410 -7.669 -1.257 1.00 0.00 H new ATOM 360 N ARG A 28 13.396 -3.986 1.025 1.00 0.00 N ATOM 361 CA ARG A 28 13.435 -2.792 1.861 1.00 0.00 C ATOM 362 C ARG A 28 14.533 -1.839 1.397 1.00 0.00 C ATOM 363 O ARG A 28 14.295 -0.646 1.215 1.00 0.00 O ATOM 364 CB ARG A 28 13.662 -3.176 3.324 1.00 0.00 C ATOM 365 CG ARG A 28 13.342 -2.058 4.303 1.00 0.00 C ATOM 366 CD ARG A 28 13.654 -2.466 5.735 1.00 0.00 C ATOM 367 NE ARG A 28 14.037 -1.322 6.558 1.00 0.00 N ATOM 368 CZ ARG A 28 14.009 -1.330 7.886 1.00 0.00 C ATOM 369 NH1 ARG A 28 13.617 -2.416 8.537 1.00 0.00 N ATOM 370 NH2 ARG A 28 14.373 -0.250 8.565 1.00 0.00 N ATOM 0 H ARG A 28 13.499 -4.863 1.536 1.00 0.00 H new ATOM 0 HA ARG A 28 12.475 -2.284 1.771 1.00 0.00 H new ATOM 0 HB2 ARG A 28 13.047 -4.044 3.563 1.00 0.00 H new ATOM 0 HB3 ARG A 28 14.702 -3.476 3.455 1.00 0.00 H new ATOM 0 HG2 ARG A 28 13.917 -1.169 4.043 1.00 0.00 H new ATOM 0 HG3 ARG A 28 12.288 -1.791 4.221 1.00 0.00 H new ATOM 0 HD2 ARG A 28 12.781 -2.951 6.172 1.00 0.00 H new ATOM 0 HD3 ARG A 28 14.460 -3.199 5.736 1.00 0.00 H new ATOM 0 HE ARG A 28 14.343 -0.470 6.087 1.00 0.00 H new ATOM 0 HH11 ARG A 28 13.336 -3.248 8.018 1.00 0.00 H new ATOM 0 HH12 ARG A 28 13.596 -2.420 9.557 1.00 0.00 H new ATOM 0 HH21 ARG A 28 14.675 0.588 8.067 1.00 0.00 H new ATOM 0 HH22 ARG A 28 14.351 -0.257 9.585 1.00 0.00 H new ATOM 384 N GLN A 29 15.734 -2.376 1.207 1.00 0.00 N ATOM 385 CA GLN A 29 16.868 -1.573 0.766 1.00 0.00 C ATOM 386 C GLN A 29 16.476 -0.671 -0.399 1.00 0.00 C ATOM 387 O GLN A 29 16.770 0.524 -0.398 1.00 0.00 O ATOM 388 CB GLN A 29 18.032 -2.477 0.358 1.00 0.00 C ATOM 389 CG GLN A 29 18.448 -3.460 1.440 1.00 0.00 C ATOM 390 CD GLN A 29 19.924 -3.801 1.383 1.00 0.00 C ATOM 391 OE1 GLN A 29 20.640 -3.363 0.482 1.00 0.00 O ATOM 392 NE2 GLN A 29 20.388 -4.586 2.348 1.00 0.00 N ATOM 0 H GLN A 29 15.947 -3.363 1.352 1.00 0.00 H new ATOM 0 HA GLN A 29 17.181 -0.944 1.599 1.00 0.00 H new ATOM 0 HB2 GLN A 29 17.753 -3.032 -0.538 1.00 0.00 H new ATOM 0 HB3 GLN A 29 18.888 -1.856 0.094 1.00 0.00 H new ATOM 0 HG2 GLN A 29 18.214 -3.039 2.418 1.00 0.00 H new ATOM 0 HG3 GLN A 29 17.864 -4.375 1.339 1.00 0.00 H new ATOM 0 HE21 GLN A 29 19.759 -4.926 3.075 1.00 0.00 H new ATOM 0 HE22 GLN A 29 21.374 -4.849 2.362 1.00 0.00 H new ATOM 401 N GLU A 30 15.810 -1.252 -1.393 1.00 0.00 N ATOM 402 CA GLU A 30 15.379 -0.500 -2.565 1.00 0.00 C ATOM 403 C GLU A 30 14.203 0.411 -2.225 1.00 0.00 C ATOM 404 O GLU A 30 14.310 1.635 -2.301 1.00 0.00 O ATOM 405 CB GLU A 30 14.989 -1.454 -3.696 1.00 0.00 C ATOM 406 CG GLU A 30 14.738 -0.757 -5.022 1.00 0.00 C ATOM 407 CD GLU A 30 15.057 -1.638 -6.214 1.00 0.00 C ATOM 408 OE1 GLU A 30 14.229 -2.512 -6.545 1.00 0.00 O ATOM 409 OE2 GLU A 30 16.135 -1.454 -6.817 1.00 0.00 O ATOM 0 H GLU A 30 15.558 -2.240 -1.409 1.00 0.00 H new ATOM 0 HA GLU A 30 16.213 0.120 -2.894 1.00 0.00 H new ATOM 0 HB2 GLU A 30 15.781 -2.191 -3.827 1.00 0.00 H new ATOM 0 HB3 GLU A 30 14.091 -1.999 -3.406 1.00 0.00 H new ATOM 0 HG2 GLU A 30 13.694 -0.447 -5.073 1.00 0.00 H new ATOM 0 HG3 GLU A 30 15.342 0.149 -5.072 1.00 0.00 H new ATOM 416 N ALA A 31 13.082 -0.195 -1.850 1.00 0.00 N ATOM 417 CA ALA A 31 11.886 0.560 -1.497 1.00 0.00 C ATOM 418 C ALA A 31 12.245 1.834 -0.740 1.00 0.00 C ATOM 419 O ALA A 31 11.612 2.873 -0.922 1.00 0.00 O ATOM 420 CB ALA A 31 10.944 -0.301 -0.669 1.00 0.00 C ATOM 0 H ALA A 31 12.977 -1.207 -1.783 1.00 0.00 H new ATOM 0 HA ALA A 31 11.382 0.847 -2.420 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.055 0.275 -0.412 1.00 0.00 H new ATOM 0 HB2 ALA A 31 10.653 -1.179 -1.245 1.00 0.00 H new ATOM 0 HB3 ALA A 31 11.448 -0.617 0.245 1.00 0.00 H new ATOM 426 N GLN A 32 13.264 1.745 0.109 1.00 0.00 N ATOM 427 CA GLN A 32 13.706 2.892 0.894 1.00 0.00 C ATOM 428 C GLN A 32 14.255 3.991 -0.009 1.00 0.00 C ATOM 429 O GLN A 32 13.844 5.148 0.083 1.00 0.00 O ATOM 430 CB GLN A 32 14.773 2.464 1.904 1.00 0.00 C ATOM 431 CG GLN A 32 14.199 1.966 3.220 1.00 0.00 C ATOM 432 CD GLN A 32 15.160 2.144 4.380 1.00 0.00 C ATOM 433 OE1 GLN A 32 15.842 1.203 4.786 1.00 0.00 O ATOM 434 NE2 GLN A 32 15.217 3.355 4.920 1.00 0.00 N ATOM 0 H GLN A 32 13.799 0.891 0.271 1.00 0.00 H new ATOM 0 HA GLN A 32 12.844 3.287 1.432 1.00 0.00 H new ATOM 0 HB2 GLN A 32 15.384 1.677 1.463 1.00 0.00 H new ATOM 0 HB3 GLN A 32 15.434 3.308 2.102 1.00 0.00 H new ATOM 0 HG2 GLN A 32 13.274 2.501 3.434 1.00 0.00 H new ATOM 0 HG3 GLN A 32 13.942 0.911 3.124 1.00 0.00 H new ATOM 0 HE21 GLN A 32 14.633 4.106 4.551 1.00 0.00 H new ATOM 0 HE22 GLN A 32 15.844 3.535 5.704 1.00 0.00 H new ATOM 443 N THR A 33 15.187 3.622 -0.883 1.00 0.00 N ATOM 444 CA THR A 33 15.793 4.577 -1.802 1.00 0.00 C ATOM 445 C THR A 33 14.744 5.214 -2.705 1.00 0.00 C ATOM 446 O THR A 33 14.945 6.310 -3.230 1.00 0.00 O ATOM 447 CB THR A 33 16.870 3.908 -2.677 1.00 0.00 C ATOM 448 OG1 THR A 33 17.688 4.907 -3.296 1.00 0.00 O ATOM 449 CG2 THR A 33 16.232 3.034 -3.746 1.00 0.00 C ATOM 0 H THR A 33 15.538 2.669 -0.973 1.00 0.00 H new ATOM 0 HA THR A 33 16.260 5.350 -1.192 1.00 0.00 H new ATOM 0 HB THR A 33 17.488 3.279 -2.037 1.00 0.00 H new ATOM 0 HG1 THR A 33 18.371 4.474 -3.849 1.00 0.00 H new ATOM 0 HG21 THR A 33 17.012 2.572 -4.351 1.00 0.00 H new ATOM 0 HG22 THR A 33 15.633 2.257 -3.271 1.00 0.00 H new ATOM 0 HG23 THR A 33 15.593 3.646 -4.383 1.00 0.00 H new ATOM 457 N ARG A 34 13.623 4.521 -2.882 1.00 0.00 N ATOM 458 CA ARG A 34 12.542 5.020 -3.723 1.00 0.00 C ATOM 459 C ARG A 34 11.668 6.008 -2.956 1.00 0.00 C ATOM 460 O ARG A 34 11.125 6.951 -3.533 1.00 0.00 O ATOM 461 CB ARG A 34 11.688 3.858 -4.235 1.00 0.00 C ATOM 462 CG ARG A 34 12.498 2.631 -4.620 1.00 0.00 C ATOM 463 CD ARG A 34 11.758 1.771 -5.633 1.00 0.00 C ATOM 464 NE ARG A 34 12.675 1.053 -6.515 1.00 0.00 N ATOM 465 CZ ARG A 34 12.288 0.107 -7.363 1.00 0.00 C ATOM 466 NH1 ARG A 34 11.009 -0.234 -7.444 1.00 0.00 N ATOM 467 NH2 ARG A 34 13.182 -0.501 -8.133 1.00 0.00 N ATOM 0 H ARG A 34 13.440 3.613 -2.454 1.00 0.00 H new ATOM 0 HA ARG A 34 12.986 5.538 -4.573 1.00 0.00 H new ATOM 0 HB2 ARG A 34 10.968 3.581 -3.465 1.00 0.00 H new ATOM 0 HB3 ARG A 34 11.116 4.192 -5.101 1.00 0.00 H new ATOM 0 HG2 ARG A 34 13.456 2.942 -5.036 1.00 0.00 H new ATOM 0 HG3 ARG A 34 12.714 2.041 -3.729 1.00 0.00 H new ATOM 0 HD2 ARG A 34 11.125 1.055 -5.108 1.00 0.00 H new ATOM 0 HD3 ARG A 34 11.099 2.401 -6.230 1.00 0.00 H new ATOM 0 HE ARG A 34 13.666 1.291 -6.477 1.00 0.00 H new ATOM 0 HH11 ARG A 34 10.319 0.231 -6.854 1.00 0.00 H new ATOM 0 HH12 ARG A 34 10.715 -0.961 -8.096 1.00 0.00 H new ATOM 0 HH21 ARG A 34 14.167 -0.242 -8.074 1.00 0.00 H new ATOM 0 HH22 ARG A 34 12.884 -1.228 -8.784 1.00 0.00 H new ATOM 481 N LEU A 35 11.536 5.785 -1.653 1.00 0.00 N ATOM 482 CA LEU A 35 10.727 6.655 -0.806 1.00 0.00 C ATOM 483 C LEU A 35 11.610 7.501 0.106 1.00 0.00 C ATOM 484 O LEU A 35 11.114 8.224 0.969 1.00 0.00 O ATOM 485 CB LEU A 35 9.756 5.823 0.034 1.00 0.00 C ATOM 486 CG LEU A 35 8.868 4.846 -0.738 1.00 0.00 C ATOM 487 CD1 LEU A 35 8.177 3.885 0.217 1.00 0.00 C ATOM 488 CD2 LEU A 35 7.844 5.602 -1.572 1.00 0.00 C ATOM 0 H LEU A 35 11.979 5.009 -1.160 1.00 0.00 H new ATOM 0 HA LEU A 35 10.158 7.323 -1.452 1.00 0.00 H new ATOM 0 HB2 LEU A 35 10.333 5.258 0.766 1.00 0.00 H new ATOM 0 HB3 LEU A 35 9.113 6.504 0.591 1.00 0.00 H new ATOM 0 HG LEU A 35 9.498 4.265 -1.412 1.00 0.00 H new ATOM 0 HD11 LEU A 35 7.549 3.197 -0.350 1.00 0.00 H new ATOM 0 HD12 LEU A 35 8.927 3.320 0.770 1.00 0.00 H new ATOM 0 HD13 LEU A 35 7.559 4.448 0.916 1.00 0.00 H new ATOM 0 HD21 LEU A 35 7.221 4.891 -2.115 1.00 0.00 H new ATOM 0 HD22 LEU A 35 7.218 6.208 -0.917 1.00 0.00 H new ATOM 0 HD23 LEU A 35 8.359 6.249 -2.282 1.00 0.00 H new ATOM 500 N GLN A 36 12.921 7.407 -0.095 1.00 0.00 N ATOM 501 CA GLN A 36 13.872 8.165 0.709 1.00 0.00 C ATOM 502 C GLN A 36 14.044 9.577 0.160 1.00 0.00 C ATOM 503 O GLN A 36 14.560 9.768 -0.940 1.00 0.00 O ATOM 504 CB GLN A 36 15.224 7.451 0.745 1.00 0.00 C ATOM 505 CG GLN A 36 16.351 8.308 1.299 1.00 0.00 C ATOM 506 CD GLN A 36 16.333 8.388 2.813 1.00 0.00 C ATOM 507 OE1 GLN A 36 17.233 7.883 3.483 1.00 0.00 O ATOM 508 NE2 GLN A 36 15.304 9.025 3.360 1.00 0.00 N ATOM 0 H GLN A 36 13.348 6.814 -0.807 1.00 0.00 H new ATOM 0 HA GLN A 36 13.479 8.234 1.723 1.00 0.00 H new ATOM 0 HB2 GLN A 36 15.133 6.549 1.351 1.00 0.00 H new ATOM 0 HB3 GLN A 36 15.484 7.132 -0.264 1.00 0.00 H new ATOM 0 HG2 GLN A 36 17.307 7.900 0.972 1.00 0.00 H new ATOM 0 HG3 GLN A 36 16.275 9.313 0.885 1.00 0.00 H new ATOM 0 HE21 GLN A 36 14.580 9.429 2.766 1.00 0.00 H new ATOM 0 HE22 GLN A 36 15.238 9.110 4.374 1.00 0.00 H new ATOM 517 N GLY A 37 13.608 10.566 0.935 1.00 0.00 N ATOM 518 CA GLY A 37 13.722 11.948 0.510 1.00 0.00 C ATOM 519 C GLY A 37 12.533 12.401 -0.314 1.00 0.00 C ATOM 520 O GLY A 37 12.173 13.578 -0.300 1.00 0.00 O ATOM 0 H GLY A 37 13.178 10.434 1.850 1.00 0.00 H new ATOM 0 HA2 GLY A 37 13.817 12.588 1.387 1.00 0.00 H new ATOM 0 HA3 GLY A 37 14.634 12.071 -0.075 1.00 0.00 H new ATOM 524 N GLN A 38 11.924 11.466 -1.035 1.00 0.00 N ATOM 525 CA GLN A 38 10.770 11.777 -1.870 1.00 0.00 C ATOM 526 C GLN A 38 9.734 12.580 -1.091 1.00 0.00 C ATOM 527 O GLN A 38 9.763 12.621 0.139 1.00 0.00 O ATOM 528 CB GLN A 38 10.138 10.490 -2.404 1.00 0.00 C ATOM 529 CG GLN A 38 11.044 9.712 -3.345 1.00 0.00 C ATOM 530 CD GLN A 38 11.813 10.613 -4.291 1.00 0.00 C ATOM 531 OE1 GLN A 38 12.836 11.191 -3.923 1.00 0.00 O ATOM 532 NE2 GLN A 38 11.324 10.737 -5.520 1.00 0.00 N ATOM 0 H GLN A 38 12.210 10.487 -1.058 1.00 0.00 H new ATOM 0 HA GLN A 38 11.114 12.381 -2.710 1.00 0.00 H new ATOM 0 HB2 GLN A 38 9.868 9.852 -1.563 1.00 0.00 H new ATOM 0 HB3 GLN A 38 9.214 10.738 -2.926 1.00 0.00 H new ATOM 0 HG2 GLN A 38 11.748 9.121 -2.759 1.00 0.00 H new ATOM 0 HG3 GLN A 38 10.444 9.011 -3.925 1.00 0.00 H new ATOM 0 HE21 GLN A 38 10.473 10.240 -5.783 1.00 0.00 H new ATOM 0 HE22 GLN A 38 11.800 11.329 -6.201 1.00 0.00 H new ATOM 541 N ARG A 39 8.821 13.219 -1.815 1.00 0.00 N ATOM 542 CA ARG A 39 7.777 14.023 -1.191 1.00 0.00 C ATOM 543 C ARG A 39 6.920 13.172 -0.257 1.00 0.00 C ATOM 544 O ARG A 39 6.895 11.946 -0.366 1.00 0.00 O ATOM 545 CB ARG A 39 6.895 14.671 -2.260 1.00 0.00 C ATOM 546 CG ARG A 39 5.905 13.710 -2.898 1.00 0.00 C ATOM 547 CD ARG A 39 6.454 13.119 -4.187 1.00 0.00 C ATOM 548 NE ARG A 39 6.375 14.064 -5.298 1.00 0.00 N ATOM 549 CZ ARG A 39 7.385 14.839 -5.677 1.00 0.00 C ATOM 550 NH1 ARG A 39 8.545 14.782 -5.037 1.00 0.00 N ATOM 551 NH2 ARG A 39 7.236 15.672 -6.699 1.00 0.00 N ATOM 0 H ARG A 39 8.783 13.196 -2.834 1.00 0.00 H new ATOM 0 HA ARG A 39 8.258 14.805 -0.603 1.00 0.00 H new ATOM 0 HB2 ARG A 39 6.347 15.500 -1.813 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.532 15.093 -3.038 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.673 12.907 -2.198 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.971 14.232 -3.105 1.00 0.00 H new ATOM 0 HD2 ARG A 39 7.492 12.822 -4.037 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.897 12.216 -4.438 1.00 0.00 H new ATOM 0 HE ARG A 39 5.496 14.133 -5.811 1.00 0.00 H new ATOM 0 HH11 ARG A 39 8.663 14.142 -4.252 1.00 0.00 H new ATOM 0 HH12 ARG A 39 9.319 15.378 -5.330 1.00 0.00 H new ATOM 0 HH21 ARG A 39 6.345 15.718 -7.194 1.00 0.00 H new ATOM 0 HH22 ARG A 39 8.012 16.267 -6.989 1.00 0.00 H new ATOM 565 N HIS A 40 6.221 13.832 0.661 1.00 0.00 N ATOM 566 CA HIS A 40 5.363 13.136 1.614 1.00 0.00 C ATOM 567 C HIS A 40 4.071 12.676 0.946 1.00 0.00 C ATOM 568 O HIS A 40 3.304 13.487 0.429 1.00 0.00 O ATOM 569 CB HIS A 40 5.042 14.045 2.801 1.00 0.00 C ATOM 570 CG HIS A 40 6.234 14.367 3.648 1.00 0.00 C ATOM 571 ND1 HIS A 40 6.366 15.552 4.341 1.00 0.00 N ATOM 572 CD2 HIS A 40 7.352 13.651 3.913 1.00 0.00 C ATOM 573 CE1 HIS A 40 7.514 15.551 4.995 1.00 0.00 C ATOM 574 NE2 HIS A 40 8.131 14.409 4.752 1.00 0.00 N ATOM 0 H HIS A 40 6.232 14.847 0.765 1.00 0.00 H new ATOM 0 HA HIS A 40 5.898 12.257 1.973 1.00 0.00 H new ATOM 0 HB2 HIS A 40 4.609 14.974 2.430 1.00 0.00 H new ATOM 0 HB3 HIS A 40 4.285 13.565 3.421 1.00 0.00 H new ATOM 0 HD1 HIS A 40 5.684 16.311 4.348 1.00 0.00 H new ATOM 0 HD2 HIS A 40 7.587 12.667 3.535 1.00 0.00 H new ATOM 0 HE1 HIS A 40 7.885 16.349 5.622 1.00 0.00 H new ATOM 583 N GLY A 41 3.836 11.367 0.961 1.00 0.00 N ATOM 584 CA GLY A 41 2.637 10.821 0.353 1.00 0.00 C ATOM 585 C GLY A 41 2.916 9.578 -0.468 1.00 0.00 C ATOM 586 O GLY A 41 2.082 8.677 -0.545 1.00 0.00 O ATOM 0 H GLY A 41 4.455 10.675 1.384 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.914 10.582 1.133 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.180 11.578 -0.284 1.00 0.00 H new ATOM 590 N MET A 42 4.093 9.530 -1.084 1.00 0.00 N ATOM 591 CA MET A 42 4.480 8.387 -1.903 1.00 0.00 C ATOM 592 C MET A 42 4.337 7.085 -1.122 1.00 0.00 C ATOM 593 O MET A 42 4.564 7.047 0.087 1.00 0.00 O ATOM 594 CB MET A 42 5.921 8.547 -2.391 1.00 0.00 C ATOM 595 CG MET A 42 6.195 7.852 -3.715 1.00 0.00 C ATOM 596 SD MET A 42 7.819 8.255 -4.388 1.00 0.00 S ATOM 597 CE MET A 42 7.574 9.964 -4.864 1.00 0.00 C ATOM 0 H MET A 42 4.795 10.269 -1.032 1.00 0.00 H new ATOM 0 HA MET A 42 3.814 8.348 -2.765 1.00 0.00 H new ATOM 0 HB2 MET A 42 6.145 9.609 -2.494 1.00 0.00 H new ATOM 0 HB3 MET A 42 6.598 8.150 -1.635 1.00 0.00 H new ATOM 0 HG2 MET A 42 6.121 6.773 -3.577 1.00 0.00 H new ATOM 0 HG3 MET A 42 5.427 8.135 -4.435 1.00 0.00 H new ATOM 0 HE1 MET A 42 8.463 10.329 -5.379 1.00 0.00 H new ATOM 0 HE2 MET A 42 6.714 10.037 -5.530 1.00 0.00 H new ATOM 0 HE3 MET A 42 7.396 10.568 -3.974 1.00 0.00 H new ATOM 607 N PHE A 43 3.960 6.019 -1.821 1.00 0.00 N ATOM 608 CA PHE A 43 3.785 4.715 -1.193 1.00 0.00 C ATOM 609 C PHE A 43 4.085 3.591 -2.180 1.00 0.00 C ATOM 610 O PHE A 43 4.241 3.827 -3.379 1.00 0.00 O ATOM 611 CB PHE A 43 2.360 4.571 -0.655 1.00 0.00 C ATOM 612 CG PHE A 43 1.362 4.168 -1.703 1.00 0.00 C ATOM 613 CD1 PHE A 43 0.764 5.120 -2.512 1.00 0.00 C ATOM 614 CD2 PHE A 43 1.022 2.836 -1.879 1.00 0.00 C ATOM 615 CE1 PHE A 43 -0.154 4.753 -3.478 1.00 0.00 C ATOM 616 CE2 PHE A 43 0.105 2.463 -2.843 1.00 0.00 C ATOM 617 CZ PHE A 43 -0.485 3.422 -3.643 1.00 0.00 C ATOM 0 H PHE A 43 3.770 6.033 -2.823 1.00 0.00 H new ATOM 0 HA PHE A 43 4.488 4.642 -0.363 1.00 0.00 H new ATOM 0 HB2 PHE A 43 2.355 3.830 0.144 1.00 0.00 H new ATOM 0 HB3 PHE A 43 2.049 5.518 -0.214 1.00 0.00 H new ATOM 0 HD1 PHE A 43 1.018 6.162 -2.386 1.00 0.00 H new ATOM 0 HD2 PHE A 43 1.479 2.081 -1.256 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -0.612 5.506 -4.103 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -0.150 1.421 -2.971 1.00 0.00 H new ATOM 0 HZ PHE A 43 -1.203 3.132 -4.396 1.00 0.00 H new ATOM 627 N LEU A 44 4.165 2.368 -1.668 1.00 0.00 N ATOM 628 CA LEU A 44 4.446 1.206 -2.503 1.00 0.00 C ATOM 629 C LEU A 44 4.316 -0.086 -1.702 1.00 0.00 C ATOM 630 O LEU A 44 4.749 -0.161 -0.552 1.00 0.00 O ATOM 631 CB LEU A 44 5.851 1.310 -3.100 1.00 0.00 C ATOM 632 CG LEU A 44 7.003 0.904 -2.180 1.00 0.00 C ATOM 633 CD1 LEU A 44 7.089 -0.610 -2.068 1.00 0.00 C ATOM 634 CD2 LEU A 44 8.318 1.479 -2.685 1.00 0.00 C ATOM 0 H LEU A 44 4.039 2.155 -0.678 1.00 0.00 H new ATOM 0 HA LEU A 44 3.715 1.185 -3.311 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.891 0.689 -3.995 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.013 2.339 -3.419 1.00 0.00 H new ATOM 0 HG LEU A 44 6.810 1.311 -1.187 1.00 0.00 H new ATOM 0 HD11 LEU A 44 7.915 -0.880 -1.409 1.00 0.00 H new ATOM 0 HD12 LEU A 44 6.156 -0.998 -1.659 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.258 -1.039 -3.056 1.00 0.00 H new ATOM 0 HD21 LEU A 44 9.126 1.180 -2.018 1.00 0.00 H new ATOM 0 HD22 LEU A 44 8.518 1.103 -3.688 1.00 0.00 H new ATOM 0 HD23 LEU A 44 8.253 2.567 -2.711 1.00 0.00 H new ATOM 646 N VAL A 45 3.720 -1.101 -2.318 1.00 0.00 N ATOM 647 CA VAL A 45 3.536 -2.391 -1.663 1.00 0.00 C ATOM 648 C VAL A 45 4.388 -3.468 -2.323 1.00 0.00 C ATOM 649 O VAL A 45 4.255 -3.736 -3.517 1.00 0.00 O ATOM 650 CB VAL A 45 2.060 -2.830 -1.692 1.00 0.00 C ATOM 651 CG1 VAL A 45 1.872 -4.126 -0.918 1.00 0.00 C ATOM 652 CG2 VAL A 45 1.166 -1.732 -1.135 1.00 0.00 C ATOM 0 H VAL A 45 3.356 -1.056 -3.270 1.00 0.00 H new ATOM 0 HA VAL A 45 3.850 -2.267 -0.627 1.00 0.00 H new ATOM 0 HB VAL A 45 1.773 -3.009 -2.728 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.823 -4.420 -0.950 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.482 -4.910 -1.367 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.176 -3.978 0.118 1.00 0.00 H new ATOM 0 HG21 VAL A 45 0.127 -2.060 -1.163 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.451 -1.518 -0.105 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.279 -0.831 -1.737 1.00 0.00 H new ATOM 662 N ARG A 46 5.265 -4.085 -1.537 1.00 0.00 N ATOM 663 CA ARG A 46 6.141 -5.134 -2.045 1.00 0.00 C ATOM 664 C ARG A 46 6.040 -6.391 -1.186 1.00 0.00 C ATOM 665 O ARG A 46 5.533 -6.349 -0.064 1.00 0.00 O ATOM 666 CB ARG A 46 7.590 -4.645 -2.083 1.00 0.00 C ATOM 667 CG ARG A 46 8.114 -4.188 -0.731 1.00 0.00 C ATOM 668 CD ARG A 46 9.598 -3.863 -0.790 1.00 0.00 C ATOM 669 NE ARG A 46 10.258 -4.085 0.494 1.00 0.00 N ATOM 670 CZ ARG A 46 10.389 -5.281 1.056 1.00 0.00 C ATOM 671 NH1 ARG A 46 9.909 -6.358 0.450 1.00 0.00 N ATOM 672 NH2 ARG A 46 11.002 -5.402 2.227 1.00 0.00 N ATOM 0 H ARG A 46 5.388 -3.876 -0.546 1.00 0.00 H new ATOM 0 HA ARG A 46 5.821 -5.380 -3.058 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.226 -5.447 -2.457 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.668 -3.820 -2.791 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.560 -3.308 -0.404 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.940 -4.968 0.010 1.00 0.00 H new ATOM 0 HD2 ARG A 46 10.074 -4.478 -1.553 1.00 0.00 H new ATOM 0 HD3 ARG A 46 9.730 -2.824 -1.091 1.00 0.00 H new ATOM 0 HE ARG A 46 10.639 -3.277 0.986 1.00 0.00 H new ATOM 0 HH11 ARG A 46 9.438 -6.269 -0.450 1.00 0.00 H new ATOM 0 HH12 ARG A 46 10.011 -7.275 0.884 1.00 0.00 H new ATOM 0 HH21 ARG A 46 11.373 -4.576 2.696 1.00 0.00 H new ATOM 0 HH22 ARG A 46 11.102 -6.321 2.658 1.00 0.00 H new ATOM 686 N ASP A 47 6.524 -7.507 -1.719 1.00 0.00 N ATOM 687 CA ASP A 47 6.489 -8.776 -1.001 1.00 0.00 C ATOM 688 C ASP A 47 7.498 -8.781 0.143 1.00 0.00 C ATOM 689 O ASP A 47 8.690 -8.556 -0.066 1.00 0.00 O ATOM 690 CB ASP A 47 6.776 -9.935 -1.956 1.00 0.00 C ATOM 691 CG ASP A 47 6.989 -11.247 -1.227 1.00 0.00 C ATOM 692 OD1 ASP A 47 6.204 -11.546 -0.304 1.00 0.00 O ATOM 693 OD2 ASP A 47 7.942 -11.974 -1.580 1.00 0.00 O ATOM 0 H ASP A 47 6.946 -7.559 -2.646 1.00 0.00 H new ATOM 0 HA ASP A 47 5.491 -8.900 -0.581 1.00 0.00 H new ATOM 0 HB2 ASP A 47 5.945 -10.041 -2.654 1.00 0.00 H new ATOM 0 HB3 ASP A 47 7.662 -9.704 -2.548 1.00 0.00 H new ATOM 698 N SER A 48 7.011 -9.037 1.353 1.00 0.00 N ATOM 699 CA SER A 48 7.869 -9.067 2.532 1.00 0.00 C ATOM 700 C SER A 48 9.120 -9.901 2.272 1.00 0.00 C ATOM 701 O SER A 48 9.190 -10.647 1.296 1.00 0.00 O ATOM 702 CB SER A 48 7.106 -9.632 3.731 1.00 0.00 C ATOM 703 OG SER A 48 7.980 -9.891 4.816 1.00 0.00 O ATOM 0 H SER A 48 6.027 -9.227 1.543 1.00 0.00 H new ATOM 0 HA SER A 48 8.174 -8.045 2.754 1.00 0.00 H new ATOM 0 HB2 SER A 48 6.336 -8.926 4.041 1.00 0.00 H new ATOM 0 HB3 SER A 48 6.598 -10.552 3.442 1.00 0.00 H new ATOM 0 HG SER A 48 7.809 -9.247 5.535 1.00 0.00 H new ATOM 709 N SER A 49 10.106 -9.768 3.154 1.00 0.00 N ATOM 710 CA SER A 49 11.356 -10.506 3.019 1.00 0.00 C ATOM 711 C SER A 49 11.559 -11.451 4.200 1.00 0.00 C ATOM 712 O SER A 49 12.491 -12.256 4.213 1.00 0.00 O ATOM 713 CB SER A 49 12.536 -9.537 2.918 1.00 0.00 C ATOM 714 OG SER A 49 12.406 -8.476 3.848 1.00 0.00 O ATOM 0 H SER A 49 10.063 -9.156 3.969 1.00 0.00 H new ATOM 0 HA SER A 49 11.303 -11.099 2.106 1.00 0.00 H new ATOM 0 HB2 SER A 49 13.467 -10.073 3.101 1.00 0.00 H new ATOM 0 HB3 SER A 49 12.594 -9.134 1.907 1.00 0.00 H new ATOM 0 HG SER A 49 13.173 -7.872 3.764 1.00 0.00 H new ATOM 720 N THR A 50 10.679 -11.347 5.191 1.00 0.00 N ATOM 721 CA THR A 50 10.761 -12.190 6.377 1.00 0.00 C ATOM 722 C THR A 50 9.391 -12.743 6.754 1.00 0.00 C ATOM 723 O THR A 50 9.232 -13.947 6.957 1.00 0.00 O ATOM 724 CB THR A 50 11.338 -11.417 7.577 1.00 0.00 C ATOM 725 OG1 THR A 50 11.091 -12.138 8.789 1.00 0.00 O ATOM 726 CG2 THR A 50 10.723 -10.029 7.673 1.00 0.00 C ATOM 0 H THR A 50 9.901 -10.687 5.196 1.00 0.00 H new ATOM 0 HA THR A 50 11.429 -13.016 6.132 1.00 0.00 H new ATOM 0 HB THR A 50 12.413 -11.312 7.430 1.00 0.00 H new ATOM 0 HG1 THR A 50 11.462 -11.640 9.547 1.00 0.00 H new ATOM 0 HG21 THR A 50 11.146 -9.502 8.528 1.00 0.00 H new ATOM 0 HG22 THR A 50 10.938 -9.472 6.761 1.00 0.00 H new ATOM 0 HG23 THR A 50 9.644 -10.117 7.799 1.00 0.00 H new ATOM 734 N CYS A 51 8.406 -11.857 6.845 1.00 0.00 N ATOM 735 CA CYS A 51 7.048 -12.257 7.198 1.00 0.00 C ATOM 736 C CYS A 51 6.492 -13.248 6.181 1.00 0.00 C ATOM 737 O CYS A 51 6.637 -13.080 4.970 1.00 0.00 O ATOM 738 CB CYS A 51 6.139 -11.030 7.283 1.00 0.00 C ATOM 739 SG CYS A 51 6.663 -9.806 8.507 1.00 0.00 S ATOM 0 H CYS A 51 8.522 -10.857 6.679 1.00 0.00 H new ATOM 0 HA CYS A 51 7.080 -12.744 8.173 1.00 0.00 H new ATOM 0 HB2 CYS A 51 6.097 -10.554 6.304 1.00 0.00 H new ATOM 0 HB3 CYS A 51 5.127 -11.357 7.522 1.00 0.00 H new ATOM 0 HG CYS A 51 5.833 -8.805 8.503 1.00 0.00 H new ATOM 745 N PRO A 52 5.841 -14.308 6.683 1.00 0.00 N ATOM 746 CA PRO A 52 5.250 -15.348 5.835 1.00 0.00 C ATOM 747 C PRO A 52 4.037 -14.846 5.061 1.00 0.00 C ATOM 748 O PRO A 52 3.138 -14.226 5.630 1.00 0.00 O ATOM 749 CB PRO A 52 4.836 -16.429 6.837 1.00 0.00 C ATOM 750 CG PRO A 52 4.634 -15.699 8.120 1.00 0.00 C ATOM 751 CD PRO A 52 5.630 -14.572 8.116 1.00 0.00 C ATOM 0 HA PRO A 52 5.947 -15.697 5.073 1.00 0.00 H new ATOM 0 HB2 PRO A 52 3.923 -16.933 6.521 1.00 0.00 H new ATOM 0 HB3 PRO A 52 5.606 -17.195 6.934 1.00 0.00 H new ATOM 0 HG2 PRO A 52 3.615 -15.319 8.197 1.00 0.00 H new ATOM 0 HG3 PRO A 52 4.794 -16.358 8.973 1.00 0.00 H new ATOM 0 HD2 PRO A 52 5.245 -13.694 8.634 1.00 0.00 H new ATOM 0 HD3 PRO A 52 6.558 -14.854 8.613 1.00 0.00 H new ATOM 759 N GLY A 53 4.016 -15.117 3.760 1.00 0.00 N ATOM 760 CA GLY A 53 2.908 -14.685 2.929 1.00 0.00 C ATOM 761 C GLY A 53 2.323 -13.362 3.384 1.00 0.00 C ATOM 762 O GLY A 53 1.106 -13.218 3.491 1.00 0.00 O ATOM 0 H GLY A 53 4.747 -15.629 3.266 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.246 -14.593 1.897 1.00 0.00 H new ATOM 0 HA3 GLY A 53 2.129 -15.447 2.943 1.00 0.00 H new ATOM 766 N ASP A 54 3.193 -12.395 3.653 1.00 0.00 N ATOM 767 CA ASP A 54 2.757 -11.077 4.100 1.00 0.00 C ATOM 768 C ASP A 54 3.276 -9.988 3.167 1.00 0.00 C ATOM 769 O ASP A 54 4.030 -10.263 2.233 1.00 0.00 O ATOM 770 CB ASP A 54 3.237 -10.814 5.528 1.00 0.00 C ATOM 771 CG ASP A 54 2.234 -11.270 6.569 1.00 0.00 C ATOM 772 OD1 ASP A 54 1.021 -11.059 6.358 1.00 0.00 O ATOM 773 OD2 ASP A 54 2.662 -11.839 7.595 1.00 0.00 O ATOM 0 H ASP A 54 4.204 -12.499 3.569 1.00 0.00 H new ATOM 0 HA ASP A 54 1.667 -11.057 4.082 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.184 -11.328 5.690 1.00 0.00 H new ATOM 0 HB3 ASP A 54 3.428 -9.748 5.654 1.00 0.00 H new ATOM 778 N TYR A 55 2.866 -8.751 3.424 1.00 0.00 N ATOM 779 CA TYR A 55 3.287 -7.620 2.605 1.00 0.00 C ATOM 780 C TYR A 55 3.767 -6.464 3.478 1.00 0.00 C ATOM 781 O TYR A 55 3.623 -6.492 4.700 1.00 0.00 O ATOM 782 CB TYR A 55 2.136 -7.155 1.711 1.00 0.00 C ATOM 783 CG TYR A 55 1.825 -8.109 0.580 1.00 0.00 C ATOM 784 CD1 TYR A 55 2.781 -8.413 -0.381 1.00 0.00 C ATOM 785 CD2 TYR A 55 0.575 -8.706 0.472 1.00 0.00 C ATOM 786 CE1 TYR A 55 2.501 -9.283 -1.417 1.00 0.00 C ATOM 787 CE2 TYR A 55 0.287 -9.578 -0.559 1.00 0.00 C ATOM 788 CZ TYR A 55 1.253 -9.864 -1.502 1.00 0.00 C ATOM 789 OH TYR A 55 0.969 -10.731 -2.531 1.00 0.00 O ATOM 0 H TYR A 55 2.242 -8.506 4.193 1.00 0.00 H new ATOM 0 HA TYR A 55 4.117 -7.947 1.978 1.00 0.00 H new ATOM 0 HB2 TYR A 55 1.242 -7.025 2.322 1.00 0.00 H new ATOM 0 HB3 TYR A 55 2.382 -6.178 1.294 1.00 0.00 H new ATOM 0 HD1 TYR A 55 3.760 -7.961 -0.317 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.184 -8.484 1.207 1.00 0.00 H new ATOM 0 HE1 TYR A 55 3.255 -9.507 -2.157 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -0.690 -10.034 -0.627 1.00 0.00 H new ATOM 0 HH TYR A 55 0.047 -11.052 -2.443 1.00 0.00 H new ATOM 799 N VAL A 56 4.338 -5.447 2.840 1.00 0.00 N ATOM 800 CA VAL A 56 4.838 -4.280 3.556 1.00 0.00 C ATOM 801 C VAL A 56 4.621 -3.005 2.748 1.00 0.00 C ATOM 802 O VAL A 56 5.252 -2.799 1.711 1.00 0.00 O ATOM 803 CB VAL A 56 6.337 -4.420 3.879 1.00 0.00 C ATOM 804 CG1 VAL A 56 6.867 -3.146 4.521 1.00 0.00 C ATOM 805 CG2 VAL A 56 6.577 -5.620 4.782 1.00 0.00 C ATOM 0 H VAL A 56 4.466 -5.408 1.829 1.00 0.00 H new ATOM 0 HA VAL A 56 4.277 -4.216 4.488 1.00 0.00 H new ATOM 0 HB VAL A 56 6.878 -4.581 2.946 1.00 0.00 H new ATOM 0 HG11 VAL A 56 7.928 -3.264 4.742 1.00 0.00 H new ATOM 0 HG12 VAL A 56 6.730 -2.309 3.836 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.323 -2.951 5.445 1.00 0.00 H new ATOM 0 HG21 VAL A 56 7.642 -5.704 5.000 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.025 -5.491 5.713 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.237 -6.526 4.281 1.00 0.00 H new ATOM 815 N LEU A 57 3.724 -2.152 3.230 1.00 0.00 N ATOM 816 CA LEU A 57 3.423 -0.895 2.554 1.00 0.00 C ATOM 817 C LEU A 57 4.406 0.196 2.967 1.00 0.00 C ATOM 818 O LEU A 57 4.311 0.747 4.064 1.00 0.00 O ATOM 819 CB LEU A 57 1.992 -0.454 2.868 1.00 0.00 C ATOM 820 CG LEU A 57 1.674 1.020 2.616 1.00 0.00 C ATOM 821 CD1 LEU A 57 1.304 1.245 1.158 1.00 0.00 C ATOM 822 CD2 LEU A 57 0.550 1.487 3.531 1.00 0.00 C ATOM 0 H LEU A 57 3.192 -2.308 4.086 1.00 0.00 H new ATOM 0 HA LEU A 57 3.520 -1.057 1.480 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.308 -1.059 2.274 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.786 -0.676 3.915 1.00 0.00 H new ATOM 0 HG LEU A 57 2.565 1.607 2.838 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.081 2.300 0.998 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.138 0.950 0.521 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.428 0.647 0.909 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.337 2.538 3.338 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.345 0.894 3.340 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.852 1.363 4.571 1.00 0.00 H new ATOM 834 N SER A 58 5.348 0.503 2.082 1.00 0.00 N ATOM 835 CA SER A 58 6.349 1.527 2.355 1.00 0.00 C ATOM 836 C SER A 58 5.900 2.884 1.820 1.00 0.00 C ATOM 837 O SER A 58 5.493 3.004 0.664 1.00 0.00 O ATOM 838 CB SER A 58 7.690 1.139 1.730 1.00 0.00 C ATOM 839 OG SER A 58 8.062 -0.179 2.098 1.00 0.00 O ATOM 0 H SER A 58 5.439 0.057 1.169 1.00 0.00 H new ATOM 0 HA SER A 58 6.468 1.603 3.436 1.00 0.00 H new ATOM 0 HB2 SER A 58 7.624 1.212 0.644 1.00 0.00 H new ATOM 0 HB3 SER A 58 8.460 1.840 2.050 1.00 0.00 H new ATOM 0 HG SER A 58 8.578 -0.153 2.930 1.00 0.00 H new ATOM 845 N VAL A 59 5.976 3.903 2.670 1.00 0.00 N ATOM 846 CA VAL A 59 5.579 5.252 2.284 1.00 0.00 C ATOM 847 C VAL A 59 6.591 6.283 2.770 1.00 0.00 C ATOM 848 O VAL A 59 7.364 6.022 3.691 1.00 0.00 O ATOM 849 CB VAL A 59 4.189 5.609 2.842 1.00 0.00 C ATOM 850 CG1 VAL A 59 3.286 4.385 2.850 1.00 0.00 C ATOM 851 CG2 VAL A 59 4.312 6.199 4.239 1.00 0.00 C ATOM 0 H VAL A 59 6.309 3.820 3.631 1.00 0.00 H new ATOM 0 HA VAL A 59 5.540 5.271 1.195 1.00 0.00 H new ATOM 0 HB VAL A 59 3.738 6.360 2.193 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.308 4.657 3.248 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.173 4.010 1.833 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.729 3.610 3.475 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.320 6.446 4.618 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.783 5.472 4.901 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.921 7.102 4.200 1.00 0.00 H new ATOM 861 N SER A 60 6.579 7.456 2.146 1.00 0.00 N ATOM 862 CA SER A 60 7.498 8.527 2.513 1.00 0.00 C ATOM 863 C SER A 60 6.857 9.469 3.528 1.00 0.00 C ATOM 864 O SER A 60 6.077 10.349 3.167 1.00 0.00 O ATOM 865 CB SER A 60 7.922 9.312 1.270 1.00 0.00 C ATOM 866 OG SER A 60 9.049 10.127 1.542 1.00 0.00 O ATOM 0 H SER A 60 5.943 7.689 1.384 1.00 0.00 H new ATOM 0 HA SER A 60 8.380 8.076 2.968 1.00 0.00 H new ATOM 0 HB2 SER A 60 8.156 8.620 0.461 1.00 0.00 H new ATOM 0 HB3 SER A 60 7.094 9.933 0.928 1.00 0.00 H new ATOM 0 HG SER A 60 9.869 9.617 1.376 1.00 0.00 H new ATOM 872 N GLU A 61 7.193 9.274 4.800 1.00 0.00 N ATOM 873 CA GLU A 61 6.650 10.105 5.868 1.00 0.00 C ATOM 874 C GLU A 61 7.716 10.408 6.917 1.00 0.00 C ATOM 875 O GLU A 61 8.551 9.561 7.230 1.00 0.00 O ATOM 876 CB GLU A 61 5.454 9.413 6.525 1.00 0.00 C ATOM 877 CG GLU A 61 5.135 9.937 7.915 1.00 0.00 C ATOM 878 CD GLU A 61 5.864 9.178 9.007 1.00 0.00 C ATOM 879 OE1 GLU A 61 6.820 8.445 8.681 1.00 0.00 O ATOM 880 OE2 GLU A 61 5.477 9.317 10.186 1.00 0.00 O ATOM 0 H GLU A 61 7.838 8.549 5.115 1.00 0.00 H new ATOM 0 HA GLU A 61 6.319 11.046 5.429 1.00 0.00 H new ATOM 0 HB2 GLU A 61 4.578 9.539 5.889 1.00 0.00 H new ATOM 0 HB3 GLU A 61 5.653 8.343 6.586 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.402 10.992 7.971 1.00 0.00 H new ATOM 0 HG3 GLU A 61 4.061 9.870 8.087 1.00 0.00 H new ATOM 887 N ASN A 62 7.679 11.622 7.456 1.00 0.00 N ATOM 888 CA ASN A 62 8.642 12.038 8.469 1.00 0.00 C ATOM 889 C ASN A 62 10.072 11.840 7.974 1.00 0.00 C ATOM 890 O ASN A 62 10.921 11.313 8.693 1.00 0.00 O ATOM 891 CB ASN A 62 8.425 11.251 9.763 1.00 0.00 C ATOM 892 CG ASN A 62 7.509 11.974 10.732 1.00 0.00 C ATOM 893 OD1 ASN A 62 7.970 12.643 11.657 1.00 0.00 O ATOM 894 ND2 ASN A 62 6.205 11.840 10.524 1.00 0.00 N ATOM 0 H ASN A 62 6.993 12.335 7.208 1.00 0.00 H new ATOM 0 HA ASN A 62 8.488 13.099 8.667 1.00 0.00 H new ATOM 0 HB2 ASN A 62 8.001 10.276 9.525 1.00 0.00 H new ATOM 0 HB3 ASN A 62 9.388 11.072 10.242 1.00 0.00 H new ATOM 0 HD21 ASN A 62 5.540 12.302 11.144 1.00 0.00 H new ATOM 0 HD22 ASN A 62 5.868 11.275 9.744 1.00 0.00 H new ATOM 901 N SER A 63 10.331 12.267 6.742 1.00 0.00 N ATOM 902 CA SER A 63 11.656 12.134 6.150 1.00 0.00 C ATOM 903 C SER A 63 12.186 10.714 6.318 1.00 0.00 C ATOM 904 O SER A 63 13.387 10.504 6.489 1.00 0.00 O ATOM 905 CB SER A 63 12.626 13.131 6.788 1.00 0.00 C ATOM 906 OG SER A 63 12.576 14.385 6.128 1.00 0.00 O ATOM 0 H SER A 63 9.640 12.708 6.135 1.00 0.00 H new ATOM 0 HA SER A 63 11.574 12.349 5.085 1.00 0.00 H new ATOM 0 HB2 SER A 63 12.378 13.261 7.842 1.00 0.00 H new ATOM 0 HB3 SER A 63 13.640 12.734 6.746 1.00 0.00 H new ATOM 0 HG SER A 63 13.203 15.005 6.555 1.00 0.00 H new ATOM 912 N ARG A 64 11.282 9.741 6.267 1.00 0.00 N ATOM 913 CA ARG A 64 11.657 8.340 6.414 1.00 0.00 C ATOM 914 C ARG A 64 10.660 7.432 5.700 1.00 0.00 C ATOM 915 O ARG A 64 9.592 7.876 5.277 1.00 0.00 O ATOM 916 CB ARG A 64 11.735 7.965 7.895 1.00 0.00 C ATOM 917 CG ARG A 64 10.421 7.458 8.465 1.00 0.00 C ATOM 918 CD ARG A 64 10.630 6.726 9.782 1.00 0.00 C ATOM 919 NE ARG A 64 11.947 6.099 9.857 1.00 0.00 N ATOM 920 CZ ARG A 64 12.209 4.883 9.392 1.00 0.00 C ATOM 921 NH1 ARG A 64 11.250 4.166 8.822 1.00 0.00 N ATOM 922 NH2 ARG A 64 13.433 4.381 9.497 1.00 0.00 N ATOM 0 H ARG A 64 10.284 9.898 6.125 1.00 0.00 H new ATOM 0 HA ARG A 64 12.638 8.202 5.958 1.00 0.00 H new ATOM 0 HB2 ARG A 64 12.498 7.198 8.027 1.00 0.00 H new ATOM 0 HB3 ARG A 64 12.056 8.837 8.465 1.00 0.00 H new ATOM 0 HG2 ARG A 64 9.742 8.297 8.618 1.00 0.00 H new ATOM 0 HG3 ARG A 64 9.946 6.789 7.747 1.00 0.00 H new ATOM 0 HD2 ARG A 64 10.515 7.427 10.609 1.00 0.00 H new ATOM 0 HD3 ARG A 64 9.859 5.965 9.900 1.00 0.00 H new ATOM 0 HE ARG A 64 12.707 6.624 10.290 1.00 0.00 H new ATOM 0 HH11 ARG A 64 10.308 4.548 8.740 1.00 0.00 H new ATOM 0 HH12 ARG A 64 11.455 3.232 8.466 1.00 0.00 H new ATOM 0 HH21 ARG A 64 14.173 4.929 9.935 1.00 0.00 H new ATOM 0 HH22 ARG A 64 13.634 3.447 9.140 1.00 0.00 H new ATOM 936 N VAL A 65 11.016 6.158 5.569 1.00 0.00 N ATOM 937 CA VAL A 65 10.153 5.188 4.907 1.00 0.00 C ATOM 938 C VAL A 65 9.359 4.374 5.924 1.00 0.00 C ATOM 939 O VAL A 65 9.914 3.528 6.626 1.00 0.00 O ATOM 940 CB VAL A 65 10.966 4.227 4.020 1.00 0.00 C ATOM 941 CG1 VAL A 65 10.040 3.384 3.156 1.00 0.00 C ATOM 942 CG2 VAL A 65 11.952 5.003 3.159 1.00 0.00 C ATOM 0 H VAL A 65 11.896 5.774 5.913 1.00 0.00 H new ATOM 0 HA VAL A 65 9.463 5.754 4.280 1.00 0.00 H new ATOM 0 HB VAL A 65 11.532 3.556 4.666 1.00 0.00 H new ATOM 0 HG11 VAL A 65 10.633 2.711 2.536 1.00 0.00 H new ATOM 0 HG12 VAL A 65 9.378 2.800 3.795 1.00 0.00 H new ATOM 0 HG13 VAL A 65 9.445 4.036 2.517 1.00 0.00 H new ATOM 0 HG21 VAL A 65 12.518 4.308 2.538 1.00 0.00 H new ATOM 0 HG22 VAL A 65 11.408 5.699 2.521 1.00 0.00 H new ATOM 0 HG23 VAL A 65 12.637 5.558 3.800 1.00 0.00 H new ATOM 952 N SER A 66 8.058 4.636 5.997 1.00 0.00 N ATOM 953 CA SER A 66 7.188 3.931 6.931 1.00 0.00 C ATOM 954 C SER A 66 6.766 2.578 6.364 1.00 0.00 C ATOM 955 O SER A 66 5.931 2.504 5.462 1.00 0.00 O ATOM 956 CB SER A 66 5.951 4.774 7.244 1.00 0.00 C ATOM 957 OG SER A 66 6.315 6.044 7.755 1.00 0.00 O ATOM 0 H SER A 66 7.583 5.331 5.421 1.00 0.00 H new ATOM 0 HA SER A 66 7.746 3.762 7.852 1.00 0.00 H new ATOM 0 HB2 SER A 66 5.355 4.900 6.340 1.00 0.00 H new ATOM 0 HB3 SER A 66 5.326 4.253 7.969 1.00 0.00 H new ATOM 0 HG SER A 66 5.555 6.434 8.235 1.00 0.00 H new ATOM 963 N HIS A 67 7.350 1.511 6.899 1.00 0.00 N ATOM 964 CA HIS A 67 7.034 0.160 6.448 1.00 0.00 C ATOM 965 C HIS A 67 5.832 -0.398 7.203 1.00 0.00 C ATOM 966 O HIS A 67 5.975 -0.965 8.286 1.00 0.00 O ATOM 967 CB HIS A 67 8.242 -0.758 6.638 1.00 0.00 C ATOM 968 CG HIS A 67 9.499 -0.231 6.018 1.00 0.00 C ATOM 969 ND1 HIS A 67 9.813 -0.407 4.687 1.00 0.00 N ATOM 970 CD2 HIS A 67 10.523 0.473 6.555 1.00 0.00 C ATOM 971 CE1 HIS A 67 10.977 0.164 4.433 1.00 0.00 C ATOM 972 NE2 HIS A 67 11.428 0.706 5.550 1.00 0.00 N ATOM 0 H HIS A 67 8.044 1.555 7.645 1.00 0.00 H new ATOM 0 HA HIS A 67 6.784 0.206 5.388 1.00 0.00 H new ATOM 0 HB2 HIS A 67 8.409 -0.909 7.705 1.00 0.00 H new ATOM 0 HB3 HIS A 67 8.017 -1.734 6.209 1.00 0.00 H new ATOM 0 HD2 HIS A 67 10.611 0.792 7.583 1.00 0.00 H new ATOM 0 HE1 HIS A 67 11.475 0.184 3.475 1.00 0.00 H new ATOM 0 HE2 HIS A 67 12.306 1.215 5.649 1.00 0.00 H new ATOM 981 N TYR A 68 4.648 -0.233 6.624 1.00 0.00 N ATOM 982 CA TYR A 68 3.420 -0.717 7.243 1.00 0.00 C ATOM 983 C TYR A 68 3.165 -2.177 6.878 1.00 0.00 C ATOM 984 O TYR A 68 2.711 -2.482 5.775 1.00 0.00 O ATOM 985 CB TYR A 68 2.232 0.144 6.811 1.00 0.00 C ATOM 986 CG TYR A 68 2.238 1.531 7.412 1.00 0.00 C ATOM 987 CD1 TYR A 68 2.203 1.713 8.789 1.00 0.00 C ATOM 988 CD2 TYR A 68 2.281 2.660 6.603 1.00 0.00 C ATOM 989 CE1 TYR A 68 2.209 2.978 9.343 1.00 0.00 C ATOM 990 CE2 TYR A 68 2.288 3.929 7.148 1.00 0.00 C ATOM 991 CZ TYR A 68 2.251 4.083 8.518 1.00 0.00 C ATOM 992 OH TYR A 68 2.258 5.346 9.066 1.00 0.00 O ATOM 0 H TYR A 68 4.513 0.232 5.727 1.00 0.00 H new ATOM 0 HA TYR A 68 3.536 -0.647 8.325 1.00 0.00 H new ATOM 0 HB2 TYR A 68 2.232 0.228 5.724 1.00 0.00 H new ATOM 0 HB3 TYR A 68 1.307 -0.360 7.092 1.00 0.00 H new ATOM 0 HD1 TYR A 68 2.171 0.850 9.438 1.00 0.00 H new ATOM 0 HD2 TYR A 68 2.309 2.543 5.530 1.00 0.00 H new ATOM 0 HE1 TYR A 68 2.181 3.102 10.416 1.00 0.00 H new ATOM 0 HE2 TYR A 68 2.322 4.796 6.505 1.00 0.00 H new ATOM 0 HH TYR A 68 2.290 6.013 8.349 1.00 0.00 H new ATOM 1002 N ILE A 69 3.458 -3.073 7.814 1.00 0.00 N ATOM 1003 CA ILE A 69 3.259 -4.500 7.592 1.00 0.00 C ATOM 1004 C ILE A 69 1.785 -4.822 7.369 1.00 0.00 C ATOM 1005 O ILE A 69 0.909 -4.236 8.005 1.00 0.00 O ATOM 1006 CB ILE A 69 3.781 -5.332 8.779 1.00 0.00 C ATOM 1007 CG1 ILE A 69 5.295 -5.164 8.922 1.00 0.00 C ATOM 1008 CG2 ILE A 69 3.420 -6.799 8.597 1.00 0.00 C ATOM 1009 CD1 ILE A 69 5.872 -5.881 10.122 1.00 0.00 C ATOM 0 H ILE A 69 3.834 -2.837 8.732 1.00 0.00 H new ATOM 0 HA ILE A 69 3.825 -4.762 6.698 1.00 0.00 H new ATOM 0 HB ILE A 69 3.307 -4.972 9.692 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.780 -5.535 8.019 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.529 -4.102 8.996 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.796 -7.374 9.444 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.336 -6.903 8.540 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.869 -7.173 7.677 1.00 0.00 H new ATOM 0 HD11 ILE A 69 6.949 -5.718 10.160 1.00 0.00 H new ATOM 0 HD12 ILE A 69 5.414 -5.494 11.032 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.669 -6.949 10.040 1.00 0.00 H new ATOM 1021 N ILE A 70 1.520 -5.757 6.464 1.00 0.00 N ATOM 1022 CA ILE A 70 0.152 -6.159 6.159 1.00 0.00 C ATOM 1023 C ILE A 70 -0.053 -7.648 6.415 1.00 0.00 C ATOM 1024 O ILE A 70 0.382 -8.489 5.630 1.00 0.00 O ATOM 1025 CB ILE A 70 -0.214 -5.845 4.697 1.00 0.00 C ATOM 1026 CG1 ILE A 70 -0.113 -4.341 4.434 1.00 0.00 C ATOM 1027 CG2 ILE A 70 -1.614 -6.351 4.381 1.00 0.00 C ATOM 1028 CD1 ILE A 70 1.258 -3.899 3.974 1.00 0.00 C ATOM 0 H ILE A 70 2.234 -6.251 5.929 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.500 -5.587 6.819 1.00 0.00 H new ATOM 0 HB ILE A 70 0.492 -6.357 4.043 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -0.848 -4.062 3.679 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -0.373 -3.803 5.346 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.858 -6.122 3.344 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -1.654 -7.430 4.533 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -2.334 -5.865 5.039 1.00 0.00 H new ATOM 0 HD11 ILE A 70 1.256 -2.822 3.807 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.995 -4.146 4.738 1.00 0.00 H new ATOM 0 HD13 ILE A 70 1.512 -4.410 3.045 1.00 0.00 H new ATOM 1040 N ASN A 71 -0.721 -7.966 7.519 1.00 0.00 N ATOM 1041 CA ASN A 71 -0.987 -9.355 7.878 1.00 0.00 C ATOM 1042 C ASN A 71 -1.907 -10.015 6.856 1.00 0.00 C ATOM 1043 O ASN A 71 -2.848 -9.394 6.362 1.00 0.00 O ATOM 1044 CB ASN A 71 -1.614 -9.432 9.272 1.00 0.00 C ATOM 1045 CG ASN A 71 -0.714 -8.848 10.344 1.00 0.00 C ATOM 1046 OD1 ASN A 71 -1.142 -8.012 11.141 1.00 0.00 O ATOM 1047 ND2 ASN A 71 0.539 -9.286 10.368 1.00 0.00 N ATOM 0 H ASN A 71 -1.088 -7.282 8.180 1.00 0.00 H new ATOM 0 HA ASN A 71 -0.038 -9.891 7.884 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -2.565 -8.899 9.270 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -1.833 -10.473 9.512 1.00 0.00 H new ATOM 0 HD21 ASN A 71 1.191 -8.929 11.067 1.00 0.00 H new ATOM 0 HD22 ASN A 71 0.850 -9.980 9.688 1.00 0.00 H new ATOM 1054 N SER A 72 -1.630 -11.277 6.546 1.00 0.00 N ATOM 1055 CA SER A 72 -2.431 -12.021 5.581 1.00 0.00 C ATOM 1056 C SER A 72 -3.479 -12.874 6.288 1.00 0.00 C ATOM 1057 O SER A 72 -3.153 -13.868 6.937 1.00 0.00 O ATOM 1058 CB SER A 72 -1.533 -12.908 4.717 1.00 0.00 C ATOM 1059 OG SER A 72 -2.293 -13.623 3.758 1.00 0.00 O ATOM 0 H SER A 72 -0.857 -11.806 6.949 1.00 0.00 H new ATOM 0 HA SER A 72 -2.944 -11.303 4.941 1.00 0.00 H new ATOM 0 HB2 SER A 72 -0.788 -12.294 4.211 1.00 0.00 H new ATOM 0 HB3 SER A 72 -0.990 -13.609 5.351 1.00 0.00 H new ATOM 0 HG SER A 72 -1.696 -14.181 3.218 1.00 0.00 H new ATOM 1065 N LEU A 73 -4.741 -12.478 6.157 1.00 0.00 N ATOM 1066 CA LEU A 73 -5.840 -13.205 6.783 1.00 0.00 C ATOM 1067 C LEU A 73 -6.231 -14.422 5.952 1.00 0.00 C ATOM 1068 O LEU A 73 -6.123 -14.428 4.725 1.00 0.00 O ATOM 1069 CB LEU A 73 -7.049 -12.286 6.962 1.00 0.00 C ATOM 1070 CG LEU A 73 -6.776 -10.942 7.640 1.00 0.00 C ATOM 1071 CD1 LEU A 73 -8.012 -10.057 7.587 1.00 0.00 C ATOM 1072 CD2 LEU A 73 -6.330 -11.152 9.080 1.00 0.00 C ATOM 0 H LEU A 73 -5.028 -11.658 5.623 1.00 0.00 H new ATOM 0 HA LEU A 73 -5.505 -13.549 7.761 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.483 -12.094 5.981 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -7.801 -12.818 7.544 1.00 0.00 H new ATOM 0 HG LEU A 73 -5.972 -10.441 7.101 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -7.799 -9.105 8.074 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -8.288 -9.879 6.548 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -8.836 -10.552 8.101 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -6.140 -10.185 9.547 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -7.113 -11.674 9.631 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.417 -11.748 9.095 1.00 0.00 H new ATOM 1084 N PRO A 74 -6.698 -15.479 6.633 1.00 0.00 N ATOM 1085 CA PRO A 74 -7.118 -16.721 5.976 1.00 0.00 C ATOM 1086 C PRO A 74 -8.402 -16.547 5.173 1.00 0.00 C ATOM 1087 O PRO A 74 -8.680 -17.318 4.255 1.00 0.00 O ATOM 1088 CB PRO A 74 -7.345 -17.681 7.147 1.00 0.00 C ATOM 1089 CG PRO A 74 -7.654 -16.798 8.306 1.00 0.00 C ATOM 1090 CD PRO A 74 -6.854 -15.543 8.096 1.00 0.00 C ATOM 0 HA PRO A 74 -6.379 -17.072 5.256 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -8.166 -18.368 6.942 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -6.461 -18.289 7.337 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -8.720 -16.577 8.355 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -7.385 -17.280 9.246 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -7.373 -14.666 8.484 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -5.889 -15.592 8.601 1.00 0.00 H new ATOM 1098 N ASN A 75 -9.180 -15.529 5.523 1.00 0.00 N ATOM 1099 CA ASN A 75 -10.436 -15.254 4.834 1.00 0.00 C ATOM 1100 C ASN A 75 -10.198 -14.406 3.588 1.00 0.00 C ATOM 1101 O ASN A 75 -11.007 -13.542 3.249 1.00 0.00 O ATOM 1102 CB ASN A 75 -11.411 -14.539 5.772 1.00 0.00 C ATOM 1103 CG ASN A 75 -10.744 -13.435 6.568 1.00 0.00 C ATOM 1104 OD1 ASN A 75 -9.790 -13.677 7.308 1.00 0.00 O ATOM 1105 ND2 ASN A 75 -11.244 -12.213 6.419 1.00 0.00 N ATOM 0 H ASN A 75 -8.963 -14.880 6.280 1.00 0.00 H new ATOM 0 HA ASN A 75 -10.869 -16.206 4.527 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -12.230 -14.118 5.188 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -11.848 -15.264 6.458 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -10.836 -11.429 6.929 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -12.036 -12.059 5.795 1.00 0.00 H new ATOM 1112 N ARG A 76 -9.083 -14.659 2.911 1.00 0.00 N ATOM 1113 CA ARG A 76 -8.738 -13.918 1.703 1.00 0.00 C ATOM 1114 C ARG A 76 -8.843 -12.415 1.938 1.00 0.00 C ATOM 1115 O ARG A 76 -9.442 -11.692 1.141 1.00 0.00 O ATOM 1116 CB ARG A 76 -9.652 -14.330 0.548 1.00 0.00 C ATOM 1117 CG ARG A 76 -9.744 -15.835 0.350 1.00 0.00 C ATOM 1118 CD ARG A 76 -10.296 -16.183 -1.023 1.00 0.00 C ATOM 1119 NE ARG A 76 -11.735 -15.952 -1.109 1.00 0.00 N ATOM 1120 CZ ARG A 76 -12.511 -16.490 -2.043 1.00 0.00 C ATOM 1121 NH1 ARG A 76 -11.989 -17.286 -2.966 1.00 0.00 N ATOM 1122 NH2 ARG A 76 -13.813 -16.233 -2.055 1.00 0.00 N ATOM 0 H ARG A 76 -8.403 -15.371 3.178 1.00 0.00 H new ATOM 0 HA ARG A 76 -7.706 -14.156 1.444 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -10.651 -13.934 0.728 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -9.289 -13.873 -0.372 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -8.756 -16.280 0.470 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -10.383 -16.266 1.120 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -9.787 -15.586 -1.780 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -10.083 -17.229 -1.245 1.00 0.00 H new ATOM 0 HE ARG A 76 -12.168 -15.344 -0.414 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -10.989 -17.487 -2.960 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -12.587 -17.698 -3.682 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -14.219 -15.622 -1.346 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -14.408 -16.647 -2.773 1.00 0.00 H new ATOM 1136 N ARG A 77 -8.259 -11.950 3.038 1.00 0.00 N ATOM 1137 CA ARG A 77 -8.288 -10.533 3.379 1.00 0.00 C ATOM 1138 C ARG A 77 -6.960 -10.092 3.987 1.00 0.00 C ATOM 1139 O ARG A 77 -6.214 -10.906 4.531 1.00 0.00 O ATOM 1140 CB ARG A 77 -9.430 -10.246 4.356 1.00 0.00 C ATOM 1141 CG ARG A 77 -10.780 -10.069 3.681 1.00 0.00 C ATOM 1142 CD ARG A 77 -11.808 -9.483 4.636 1.00 0.00 C ATOM 1143 NE ARG A 77 -13.052 -9.136 3.955 1.00 0.00 N ATOM 1144 CZ ARG A 77 -14.196 -8.901 4.589 1.00 0.00 C ATOM 1145 NH1 ARG A 77 -14.252 -8.974 5.911 1.00 0.00 N ATOM 1146 NH2 ARG A 77 -15.286 -8.591 3.899 1.00 0.00 N ATOM 0 H ARG A 77 -7.760 -12.535 3.708 1.00 0.00 H new ATOM 0 HA ARG A 77 -8.452 -9.967 2.462 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -9.497 -11.064 5.074 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -9.195 -9.344 4.921 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -10.672 -9.416 2.815 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -11.132 -11.032 3.312 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -12.017 -10.201 5.429 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -11.395 -8.594 5.112 1.00 0.00 H new ATOM 0 HE ARG A 77 -13.042 -9.070 2.937 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -13.416 -9.211 6.445 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -15.131 -8.793 6.395 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -15.246 -8.533 2.881 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -16.164 -8.411 4.386 1.00 0.00 H new ATOM 1160 N PHE A 78 -6.672 -8.798 3.892 1.00 0.00 N ATOM 1161 CA PHE A 78 -5.434 -8.249 4.431 1.00 0.00 C ATOM 1162 C PHE A 78 -5.714 -7.358 5.638 1.00 0.00 C ATOM 1163 O PHE A 78 -6.674 -6.588 5.646 1.00 0.00 O ATOM 1164 CB PHE A 78 -4.693 -7.452 3.355 1.00 0.00 C ATOM 1165 CG PHE A 78 -4.138 -8.306 2.252 1.00 0.00 C ATOM 1166 CD1 PHE A 78 -2.987 -9.052 2.448 1.00 0.00 C ATOM 1167 CD2 PHE A 78 -4.767 -8.364 1.019 1.00 0.00 C ATOM 1168 CE1 PHE A 78 -2.473 -9.838 1.434 1.00 0.00 C ATOM 1169 CE2 PHE A 78 -4.258 -9.149 0.001 1.00 0.00 C ATOM 1170 CZ PHE A 78 -3.110 -9.887 0.209 1.00 0.00 C ATOM 0 H PHE A 78 -7.280 -8.110 3.447 1.00 0.00 H new ATOM 0 HA PHE A 78 -4.807 -9.081 4.753 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -5.373 -6.716 2.926 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -3.877 -6.899 3.821 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -2.486 -9.019 3.404 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -5.666 -7.789 0.851 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -1.574 -10.413 1.599 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -4.758 -9.185 -0.956 1.00 0.00 H new ATOM 0 HZ PHE A 78 -2.711 -10.501 -0.584 1.00 0.00 H new ATOM 1180 N LYS A 79 -4.869 -7.470 6.657 1.00 0.00 N ATOM 1181 CA LYS A 79 -5.023 -6.676 7.870 1.00 0.00 C ATOM 1182 C LYS A 79 -3.782 -5.826 8.125 1.00 0.00 C ATOM 1183 O LYS A 79 -2.746 -6.336 8.551 1.00 0.00 O ATOM 1184 CB LYS A 79 -5.285 -7.587 9.071 1.00 0.00 C ATOM 1185 CG LYS A 79 -5.334 -6.847 10.397 1.00 0.00 C ATOM 1186 CD LYS A 79 -5.024 -7.770 11.563 1.00 0.00 C ATOM 1187 CE LYS A 79 -5.686 -7.290 12.845 1.00 0.00 C ATOM 1188 NZ LYS A 79 -7.057 -7.848 13.005 1.00 0.00 N ATOM 0 H LYS A 79 -4.070 -8.104 6.667 1.00 0.00 H new ATOM 0 HA LYS A 79 -5.876 -6.011 7.733 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -6.230 -8.109 8.921 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -4.505 -8.347 9.117 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -4.618 -6.025 10.382 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -6.322 -6.407 10.533 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -5.366 -8.779 11.331 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -3.945 -7.825 11.708 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -5.074 -7.579 13.700 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -5.735 -6.201 12.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -7.474 -7.497 13.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -7.648 -7.551 12.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -7.008 -8.886 13.033 1.00 0.00 H new ATOM 1202 N ILE A 80 -3.896 -4.528 7.862 1.00 0.00 N ATOM 1203 CA ILE A 80 -2.784 -3.608 8.065 1.00 0.00 C ATOM 1204 C ILE A 80 -2.828 -2.992 9.460 1.00 0.00 C ATOM 1205 O ILE A 80 -3.629 -2.098 9.730 1.00 0.00 O ATOM 1206 CB ILE A 80 -2.789 -2.479 7.018 1.00 0.00 C ATOM 1207 CG1 ILE A 80 -1.856 -1.346 7.453 1.00 0.00 C ATOM 1208 CG2 ILE A 80 -4.202 -1.958 6.807 1.00 0.00 C ATOM 1209 CD1 ILE A 80 -1.286 -0.555 6.296 1.00 0.00 C ATOM 0 H ILE A 80 -4.747 -4.090 7.508 1.00 0.00 H new ATOM 0 HA ILE A 80 -1.869 -4.190 7.956 1.00 0.00 H new ATOM 0 HB ILE A 80 -2.426 -2.880 6.072 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -2.401 -0.670 8.111 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -1.035 -1.765 8.035 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -4.189 -1.160 6.064 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -4.840 -2.769 6.457 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.591 -1.570 7.748 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -0.634 0.231 6.678 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -0.713 -1.219 5.649 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.100 -0.106 5.726 1.00 0.00 H new ATOM 1221 N GLY A 81 -1.959 -3.476 10.343 1.00 0.00 N ATOM 1222 CA GLY A 81 -1.915 -2.961 11.698 1.00 0.00 C ATOM 1223 C GLY A 81 -3.102 -3.407 12.528 1.00 0.00 C ATOM 1224 O GLY A 81 -3.193 -4.571 12.918 1.00 0.00 O ATOM 0 H GLY A 81 -1.285 -4.215 10.143 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -0.995 -3.292 12.179 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -1.885 -1.872 11.668 1.00 0.00 H new ATOM 1228 N ASP A 82 -4.014 -2.480 12.800 1.00 0.00 N ATOM 1229 CA ASP A 82 -5.202 -2.783 13.589 1.00 0.00 C ATOM 1230 C ASP A 82 -6.468 -2.586 12.763 1.00 0.00 C ATOM 1231 O ASP A 82 -7.544 -2.338 13.308 1.00 0.00 O ATOM 1232 CB ASP A 82 -5.249 -1.901 14.838 1.00 0.00 C ATOM 1233 CG ASP A 82 -4.298 -2.375 15.918 1.00 0.00 C ATOM 1234 OD1 ASP A 82 -4.085 -3.601 16.025 1.00 0.00 O ATOM 1235 OD2 ASP A 82 -3.766 -1.521 16.658 1.00 0.00 O ATOM 0 H ASP A 82 -3.953 -1.512 12.485 1.00 0.00 H new ATOM 0 HA ASP A 82 -5.149 -3.828 13.894 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -5.001 -0.875 14.564 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -6.265 -1.889 15.233 1.00 0.00 H new ATOM 1240 N GLN A 83 -6.333 -2.695 11.445 1.00 0.00 N ATOM 1241 CA GLN A 83 -7.466 -2.526 10.544 1.00 0.00 C ATOM 1242 C GLN A 83 -7.519 -3.654 9.518 1.00 0.00 C ATOM 1243 O GLN A 83 -6.512 -4.307 9.249 1.00 0.00 O ATOM 1244 CB GLN A 83 -7.382 -1.176 9.832 1.00 0.00 C ATOM 1245 CG GLN A 83 -7.501 0.015 10.769 1.00 0.00 C ATOM 1246 CD GLN A 83 -8.927 0.264 11.218 1.00 0.00 C ATOM 1247 OE1 GLN A 83 -9.481 -0.494 12.015 1.00 0.00 O ATOM 1248 NE2 GLN A 83 -9.531 1.331 10.708 1.00 0.00 N ATOM 0 H GLN A 83 -5.450 -2.900 10.978 1.00 0.00 H new ATOM 0 HA GLN A 83 -8.379 -2.558 11.139 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -6.433 -1.115 9.299 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -8.173 -1.119 9.084 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -6.873 -0.152 11.644 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -7.121 0.906 10.268 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -9.035 1.932 10.051 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -10.491 1.549 10.974 1.00 0.00 H new ATOM 1257 N GLU A 84 -8.700 -3.875 8.949 1.00 0.00 N ATOM 1258 CA GLU A 84 -8.882 -4.925 7.953 1.00 0.00 C ATOM 1259 C GLU A 84 -9.610 -4.388 6.724 1.00 0.00 C ATOM 1260 O GLU A 84 -10.426 -3.471 6.823 1.00 0.00 O ATOM 1261 CB GLU A 84 -9.664 -6.096 8.552 1.00 0.00 C ATOM 1262 CG GLU A 84 -9.005 -6.706 9.777 1.00 0.00 C ATOM 1263 CD GLU A 84 -9.943 -7.606 10.558 1.00 0.00 C ATOM 1264 OE1 GLU A 84 -10.920 -7.087 11.136 1.00 0.00 O ATOM 1265 OE2 GLU A 84 -9.699 -8.830 10.590 1.00 0.00 O ATOM 0 H GLU A 84 -9.544 -3.342 9.160 1.00 0.00 H new ATOM 0 HA GLU A 84 -7.896 -5.275 7.646 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -10.664 -5.755 8.820 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -9.784 -6.868 7.792 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -8.132 -7.280 9.467 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -8.648 -5.908 10.428 1.00 0.00 H new ATOM 1272 N PHE A 85 -9.308 -4.966 5.566 1.00 0.00 N ATOM 1273 CA PHE A 85 -9.932 -4.545 4.317 1.00 0.00 C ATOM 1274 C PHE A 85 -10.288 -5.752 3.453 1.00 0.00 C ATOM 1275 O PHE A 85 -9.931 -6.885 3.775 1.00 0.00 O ATOM 1276 CB PHE A 85 -8.998 -3.610 3.546 1.00 0.00 C ATOM 1277 CG PHE A 85 -8.721 -2.317 4.260 1.00 0.00 C ATOM 1278 CD1 PHE A 85 -9.591 -1.245 4.141 1.00 0.00 C ATOM 1279 CD2 PHE A 85 -7.592 -2.175 5.050 1.00 0.00 C ATOM 1280 CE1 PHE A 85 -9.338 -0.055 4.796 1.00 0.00 C ATOM 1281 CE2 PHE A 85 -7.334 -0.987 5.707 1.00 0.00 C ATOM 1282 CZ PHE A 85 -8.209 0.074 5.581 1.00 0.00 C ATOM 0 H PHE A 85 -8.636 -5.727 5.467 1.00 0.00 H new ATOM 0 HA PHE A 85 -10.850 -4.011 4.560 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -8.054 -4.123 3.361 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -9.438 -3.392 2.573 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -10.476 -1.341 3.530 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -6.906 -3.002 5.154 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -10.023 0.774 4.694 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -6.449 -0.888 6.318 1.00 0.00 H new ATOM 0 HZ PHE A 85 -8.011 1.003 6.095 1.00 0.00 H new ATOM 1292 N ASP A 86 -10.993 -5.499 2.356 1.00 0.00 N ATOM 1293 CA ASP A 86 -11.397 -6.564 1.445 1.00 0.00 C ATOM 1294 C ASP A 86 -10.191 -7.135 0.707 1.00 0.00 C ATOM 1295 O ASP A 86 -10.158 -8.319 0.372 1.00 0.00 O ATOM 1296 CB ASP A 86 -12.425 -6.041 0.441 1.00 0.00 C ATOM 1297 CG ASP A 86 -13.809 -5.907 1.045 1.00 0.00 C ATOM 1298 OD1 ASP A 86 -13.904 -5.535 2.233 1.00 0.00 O ATOM 1299 OD2 ASP A 86 -14.798 -6.175 0.330 1.00 0.00 O ATOM 0 H ASP A 86 -11.297 -4.566 2.076 1.00 0.00 H new ATOM 0 HA ASP A 86 -11.849 -7.361 2.035 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -12.100 -5.071 0.065 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -12.469 -6.715 -0.414 1.00 0.00 H new ATOM 1304 N HIS A 87 -9.200 -6.284 0.456 1.00 0.00 N ATOM 1305 CA HIS A 87 -7.991 -6.704 -0.244 1.00 0.00 C ATOM 1306 C HIS A 87 -6.968 -5.574 -0.286 1.00 0.00 C ATOM 1307 O HIS A 87 -7.174 -4.513 0.306 1.00 0.00 O ATOM 1308 CB HIS A 87 -8.329 -7.156 -1.665 1.00 0.00 C ATOM 1309 CG HIS A 87 -9.424 -6.357 -2.303 1.00 0.00 C ATOM 1310 ND1 HIS A 87 -9.240 -5.077 -2.782 1.00 0.00 N ATOM 1311 CD2 HIS A 87 -10.721 -6.663 -2.540 1.00 0.00 C ATOM 1312 CE1 HIS A 87 -10.377 -4.630 -3.285 1.00 0.00 C ATOM 1313 NE2 HIS A 87 -11.292 -5.574 -3.151 1.00 0.00 N ATOM 0 H HIS A 87 -9.211 -5.301 0.727 1.00 0.00 H new ATOM 0 HA HIS A 87 -7.558 -7.542 0.301 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -7.433 -7.087 -2.282 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -8.621 -8.206 -1.644 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -11.215 -7.591 -2.294 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -10.532 -3.658 -3.730 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -12.264 -5.505 -3.452 1.00 0.00 H new ATOM 1322 N LEU A 88 -5.865 -5.807 -0.989 1.00 0.00 N ATOM 1323 CA LEU A 88 -4.808 -4.808 -1.108 1.00 0.00 C ATOM 1324 C LEU A 88 -5.349 -3.511 -1.702 1.00 0.00 C ATOM 1325 O LEU A 88 -5.290 -2.446 -1.087 1.00 0.00 O ATOM 1326 CB LEU A 88 -3.669 -5.343 -1.978 1.00 0.00 C ATOM 1327 CG LEU A 88 -2.502 -5.989 -1.231 1.00 0.00 C ATOM 1328 CD1 LEU A 88 -1.549 -6.661 -2.208 1.00 0.00 C ATOM 1329 CD2 LEU A 88 -1.766 -4.953 -0.394 1.00 0.00 C ATOM 0 H LEU A 88 -5.679 -6.679 -1.485 1.00 0.00 H new ATOM 0 HA LEU A 88 -4.427 -4.598 -0.109 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.081 -6.076 -2.671 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -3.280 -4.521 -2.578 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.901 -6.751 -0.562 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.725 -7.115 -1.658 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.082 -7.432 -2.765 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.156 -5.918 -2.902 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.939 -5.430 0.131 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.379 -4.168 -1.044 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -2.453 -4.517 0.332 1.00 0.00 H new ATOM 1341 N PRO A 89 -5.892 -3.601 -2.925 1.00 0.00 N ATOM 1342 CA PRO A 89 -6.457 -2.444 -3.627 1.00 0.00 C ATOM 1343 C PRO A 89 -7.748 -1.949 -2.983 1.00 0.00 C ATOM 1344 O PRO A 89 -8.459 -1.122 -3.553 1.00 0.00 O ATOM 1345 CB PRO A 89 -6.733 -2.983 -5.033 1.00 0.00 C ATOM 1346 CG PRO A 89 -6.908 -4.451 -4.848 1.00 0.00 C ATOM 1347 CD PRO A 89 -5.997 -4.838 -3.717 1.00 0.00 C ATOM 0 HA PRO A 89 -5.784 -1.587 -3.609 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -7.626 -2.529 -5.463 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -5.907 -2.765 -5.710 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -7.945 -4.694 -4.614 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -6.651 -4.992 -5.759 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -6.411 -5.657 -3.130 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -5.023 -5.167 -4.080 1.00 0.00 H new ATOM 1355 N ALA A 90 -8.044 -2.461 -1.793 1.00 0.00 N ATOM 1356 CA ALA A 90 -9.248 -2.069 -1.071 1.00 0.00 C ATOM 1357 C ALA A 90 -8.905 -1.225 0.152 1.00 0.00 C ATOM 1358 O ALA A 90 -9.733 -0.456 0.641 1.00 0.00 O ATOM 1359 CB ALA A 90 -10.042 -3.300 -0.659 1.00 0.00 C ATOM 0 H ALA A 90 -7.467 -3.148 -1.309 1.00 0.00 H new ATOM 0 HA ALA A 90 -9.860 -1.462 -1.739 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -10.938 -2.992 -0.121 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -10.328 -3.863 -1.548 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -9.429 -3.929 -0.013 1.00 0.00 H new ATOM 1365 N LEU A 91 -7.679 -1.374 0.643 1.00 0.00 N ATOM 1366 CA LEU A 91 -7.226 -0.626 1.810 1.00 0.00 C ATOM 1367 C LEU A 91 -6.610 0.707 1.397 1.00 0.00 C ATOM 1368 O LEU A 91 -6.847 1.736 2.031 1.00 0.00 O ATOM 1369 CB LEU A 91 -6.208 -1.448 2.603 1.00 0.00 C ATOM 1370 CG LEU A 91 -4.830 -1.611 1.961 1.00 0.00 C ATOM 1371 CD1 LEU A 91 -3.913 -0.469 2.369 1.00 0.00 C ATOM 1372 CD2 LEU A 91 -4.219 -2.951 2.342 1.00 0.00 C ATOM 0 H LEU A 91 -6.981 -2.006 0.251 1.00 0.00 H new ATOM 0 HA LEU A 91 -8.092 -0.425 2.441 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -6.078 -0.983 3.581 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -6.626 -2.440 2.774 1.00 0.00 H new ATOM 0 HG LEU A 91 -4.949 -1.584 0.878 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -2.937 -0.602 1.903 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -4.344 0.478 2.044 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -3.799 -0.463 3.453 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -3.239 -3.049 1.876 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.113 -3.008 3.425 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.867 -3.757 1.998 1.00 0.00 H new ATOM 1384 N LEU A 92 -5.819 0.681 0.330 1.00 0.00 N ATOM 1385 CA LEU A 92 -5.170 1.888 -0.170 1.00 0.00 C ATOM 1386 C LEU A 92 -6.202 2.951 -0.534 1.00 0.00 C ATOM 1387 O LEU A 92 -5.977 4.143 -0.330 1.00 0.00 O ATOM 1388 CB LEU A 92 -4.307 1.559 -1.389 1.00 0.00 C ATOM 1389 CG LEU A 92 -3.294 0.428 -1.209 1.00 0.00 C ATOM 1390 CD1 LEU A 92 -2.824 -0.088 -2.561 1.00 0.00 C ATOM 1391 CD2 LEU A 92 -2.111 0.900 -0.376 1.00 0.00 C ATOM 0 H LEU A 92 -5.612 -0.162 -0.205 1.00 0.00 H new ATOM 0 HA LEU A 92 -4.533 2.283 0.622 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -4.967 1.300 -2.217 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -3.767 2.460 -1.681 1.00 0.00 H new ATOM 0 HG LEU A 92 -3.782 -0.391 -0.680 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -2.104 -0.892 -2.413 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -3.678 -0.465 -3.124 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -2.353 0.723 -3.116 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -1.400 0.082 -0.258 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.623 1.736 -0.878 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -2.462 1.221 0.605 1.00 0.00 H new ATOM 1403 N GLU A 93 -7.334 2.508 -1.073 1.00 0.00 N ATOM 1404 CA GLU A 93 -8.401 3.422 -1.465 1.00 0.00 C ATOM 1405 C GLU A 93 -9.096 4.004 -0.238 1.00 0.00 C ATOM 1406 O GLU A 93 -9.686 5.083 -0.298 1.00 0.00 O ATOM 1407 CB GLU A 93 -9.421 2.701 -2.348 1.00 0.00 C ATOM 1408 CG GLU A 93 -10.152 1.574 -1.639 1.00 0.00 C ATOM 1409 CD GLU A 93 -11.464 1.216 -2.310 1.00 0.00 C ATOM 1410 OE1 GLU A 93 -12.076 2.111 -2.930 1.00 0.00 O ATOM 1411 OE2 GLU A 93 -11.879 0.042 -2.214 1.00 0.00 O ATOM 0 H GLU A 93 -7.536 1.524 -1.248 1.00 0.00 H new ATOM 0 HA GLU A 93 -7.955 4.240 -2.031 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -10.151 3.425 -2.710 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -8.911 2.298 -3.223 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -9.511 0.693 -1.609 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -10.344 1.864 -0.606 1.00 0.00 H new ATOM 1418 N PHE A 94 -9.022 3.282 0.875 1.00 0.00 N ATOM 1419 CA PHE A 94 -9.645 3.725 2.117 1.00 0.00 C ATOM 1420 C PHE A 94 -8.698 4.619 2.912 1.00 0.00 C ATOM 1421 O PHE A 94 -9.115 5.316 3.837 1.00 0.00 O ATOM 1422 CB PHE A 94 -10.057 2.519 2.964 1.00 0.00 C ATOM 1423 CG PHE A 94 -11.082 2.845 4.013 1.00 0.00 C ATOM 1424 CD1 PHE A 94 -12.401 3.082 3.660 1.00 0.00 C ATOM 1425 CD2 PHE A 94 -10.727 2.914 5.350 1.00 0.00 C ATOM 1426 CE1 PHE A 94 -13.346 3.383 4.623 1.00 0.00 C ATOM 1427 CE2 PHE A 94 -11.668 3.214 6.317 1.00 0.00 C ATOM 1428 CZ PHE A 94 -12.980 3.448 5.953 1.00 0.00 C ATOM 0 H PHE A 94 -8.537 2.387 0.942 1.00 0.00 H new ATOM 0 HA PHE A 94 -10.534 4.303 1.863 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -10.453 1.743 2.309 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -9.172 2.106 3.448 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -12.694 3.031 2.622 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -9.703 2.731 5.640 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -14.371 3.567 4.335 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -11.378 3.265 7.356 1.00 0.00 H new ATOM 0 HZ PHE A 94 -13.718 3.681 6.707 1.00 0.00 H new ATOM 1438 N TYR A 95 -7.422 4.593 2.545 1.00 0.00 N ATOM 1439 CA TYR A 95 -6.415 5.398 3.224 1.00 0.00 C ATOM 1440 C TYR A 95 -6.254 6.756 2.547 1.00 0.00 C ATOM 1441 O TYR A 95 -5.796 7.720 3.160 1.00 0.00 O ATOM 1442 CB TYR A 95 -5.073 4.664 3.244 1.00 0.00 C ATOM 1443 CG TYR A 95 -4.890 3.770 4.449 1.00 0.00 C ATOM 1444 CD1 TYR A 95 -5.196 4.222 5.727 1.00 0.00 C ATOM 1445 CD2 TYR A 95 -4.409 2.474 4.311 1.00 0.00 C ATOM 1446 CE1 TYR A 95 -5.030 3.409 6.831 1.00 0.00 C ATOM 1447 CE2 TYR A 95 -4.241 1.653 5.409 1.00 0.00 C ATOM 1448 CZ TYR A 95 -4.553 2.125 6.667 1.00 0.00 C ATOM 1449 OH TYR A 95 -4.385 1.311 7.764 1.00 0.00 O ATOM 0 H TYR A 95 -7.061 4.023 1.780 1.00 0.00 H new ATOM 0 HA TYR A 95 -6.748 5.561 4.249 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -4.984 4.063 2.339 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -4.267 5.397 3.220 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -5.570 5.226 5.859 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -4.162 2.102 3.328 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -5.272 3.776 7.817 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -3.868 0.647 5.283 1.00 0.00 H new ATOM 0 HH TYR A 95 -5.055 0.596 7.746 1.00 0.00 H new ATOM 1459 N LYS A 96 -6.636 6.824 1.276 1.00 0.00 N ATOM 1460 CA LYS A 96 -6.538 8.062 0.512 1.00 0.00 C ATOM 1461 C LYS A 96 -7.194 9.217 1.261 1.00 0.00 C ATOM 1462 O LYS A 96 -6.911 10.385 0.992 1.00 0.00 O ATOM 1463 CB LYS A 96 -7.193 7.892 -0.860 1.00 0.00 C ATOM 1464 CG LYS A 96 -6.381 7.042 -1.821 1.00 0.00 C ATOM 1465 CD LYS A 96 -7.264 6.392 -2.874 1.00 0.00 C ATOM 1466 CE LYS A 96 -7.415 7.280 -4.100 1.00 0.00 C ATOM 1467 NZ LYS A 96 -8.487 8.298 -3.919 1.00 0.00 N ATOM 0 H LYS A 96 -7.017 6.035 0.753 1.00 0.00 H new ATOM 0 HA LYS A 96 -5.481 8.293 0.377 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -8.176 7.440 -0.730 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -7.350 8.876 -1.302 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -5.628 7.661 -2.308 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -5.848 6.271 -1.265 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -6.836 5.434 -3.168 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -8.247 6.186 -2.450 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -6.469 7.781 -4.304 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -7.643 6.663 -4.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -8.758 8.685 -4.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -9.315 7.854 -3.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -8.137 9.067 -3.312 1.00 0.00 H new ATOM 1481 N ILE A 97 -8.070 8.883 2.203 1.00 0.00 N ATOM 1482 CA ILE A 97 -8.764 9.893 2.993 1.00 0.00 C ATOM 1483 C ILE A 97 -8.299 9.871 4.445 1.00 0.00 C ATOM 1484 O ILE A 97 -8.263 10.905 5.112 1.00 0.00 O ATOM 1485 CB ILE A 97 -10.290 9.689 2.951 1.00 0.00 C ATOM 1486 CG1 ILE A 97 -10.662 8.331 3.551 1.00 0.00 C ATOM 1487 CG2 ILE A 97 -10.801 9.801 1.523 1.00 0.00 C ATOM 1488 CD1 ILE A 97 -12.145 8.164 3.795 1.00 0.00 C ATOM 0 H ILE A 97 -8.316 7.921 2.438 1.00 0.00 H new ATOM 0 HA ILE A 97 -8.522 10.860 2.552 1.00 0.00 H new ATOM 0 HB ILE A 97 -10.762 10.470 3.547 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -10.321 7.541 2.881 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -10.130 8.201 4.494 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -11.881 9.654 1.510 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -10.564 10.789 1.128 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -10.324 9.040 0.905 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -12.335 7.179 4.221 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -12.488 8.931 4.489 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -12.682 8.261 2.852 1.00 0.00 H new ATOM 1500 N HIS A 98 -7.941 8.686 4.928 1.00 0.00 N ATOM 1501 CA HIS A 98 -7.475 8.529 6.301 1.00 0.00 C ATOM 1502 C HIS A 98 -5.965 8.731 6.389 1.00 0.00 C ATOM 1503 O HIS A 98 -5.213 8.238 5.547 1.00 0.00 O ATOM 1504 CB HIS A 98 -7.848 7.145 6.834 1.00 0.00 C ATOM 1505 CG HIS A 98 -9.300 7.005 7.170 1.00 0.00 C ATOM 1506 ND1 HIS A 98 -9.892 5.793 7.459 1.00 0.00 N ATOM 1507 CD2 HIS A 98 -10.281 7.932 7.263 1.00 0.00 C ATOM 1508 CE1 HIS A 98 -11.174 5.982 7.714 1.00 0.00 C ATOM 1509 NE2 HIS A 98 -11.436 7.271 7.603 1.00 0.00 N ATOM 0 H HIS A 98 -7.965 7.820 4.389 1.00 0.00 H new ATOM 0 HA HIS A 98 -7.962 9.289 6.913 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -7.581 6.394 6.090 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -7.255 6.936 7.725 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -10.176 8.994 7.100 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -11.887 5.212 7.970 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -12.348 7.705 7.746 1.00 0.00 H new ATOM 1518 N TYR A 99 -5.529 9.459 7.410 1.00 0.00 N ATOM 1519 CA TYR A 99 -4.109 9.728 7.606 1.00 0.00 C ATOM 1520 C TYR A 99 -3.461 8.643 8.460 1.00 0.00 C ATOM 1521 O TYR A 99 -3.772 8.499 9.643 1.00 0.00 O ATOM 1522 CB TYR A 99 -3.914 11.095 8.264 1.00 0.00 C ATOM 1523 CG TYR A 99 -4.490 12.241 7.462 1.00 0.00 C ATOM 1524 CD1 TYR A 99 -5.864 12.391 7.318 1.00 0.00 C ATOM 1525 CD2 TYR A 99 -3.662 13.173 6.850 1.00 0.00 C ATOM 1526 CE1 TYR A 99 -6.396 13.435 6.586 1.00 0.00 C ATOM 1527 CE2 TYR A 99 -4.184 14.221 6.118 1.00 0.00 C ATOM 1528 CZ TYR A 99 -5.552 14.348 5.988 1.00 0.00 C ATOM 1529 OH TYR A 99 -6.076 15.390 5.259 1.00 0.00 O ATOM 0 H TYR A 99 -6.138 9.874 8.115 1.00 0.00 H new ATOM 0 HA TYR A 99 -3.628 9.730 6.628 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -4.378 11.084 9.250 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -2.848 11.268 8.415 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -6.527 11.679 7.786 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -2.591 13.076 6.948 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -7.466 13.536 6.483 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -3.525 14.937 5.650 1.00 0.00 H new ATOM 0 HH TYR A 99 -5.347 15.942 4.906 1.00 0.00 H new ATOM 1539 N LEU A 100 -2.557 7.882 7.852 1.00 0.00 N ATOM 1540 CA LEU A 100 -1.863 6.809 8.555 1.00 0.00 C ATOM 1541 C LEU A 100 -1.197 7.332 9.824 1.00 0.00 C ATOM 1542 O LEU A 100 -1.605 6.996 10.936 1.00 0.00 O ATOM 1543 CB LEU A 100 -0.816 6.169 7.643 1.00 0.00 C ATOM 1544 CG LEU A 100 -1.306 5.732 6.262 1.00 0.00 C ATOM 1545 CD1 LEU A 100 -0.174 5.797 5.248 1.00 0.00 C ATOM 1546 CD2 LEU A 100 -1.890 4.328 6.322 1.00 0.00 C ATOM 0 H LEU A 100 -2.288 7.988 6.874 1.00 0.00 H new ATOM 0 HA LEU A 100 -2.599 6.056 8.836 1.00 0.00 H new ATOM 0 HB2 LEU A 100 0.002 6.877 7.509 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -0.403 5.298 8.152 1.00 0.00 H new ATOM 0 HG LEU A 100 -2.092 6.417 5.944 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -0.542 5.482 4.271 1.00 0.00 H new ATOM 0 HD12 LEU A 100 0.198 6.819 5.183 1.00 0.00 H new ATOM 0 HD13 LEU A 100 0.634 5.136 5.562 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -2.233 4.034 5.330 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -1.125 3.630 6.663 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -2.730 4.313 7.016 1.00 0.00 H new ATOM 1558 N ASP A 101 -0.170 8.157 9.650 1.00 0.00 N ATOM 1559 CA ASP A 101 0.551 8.730 10.781 1.00 0.00 C ATOM 1560 C ASP A 101 0.464 10.252 10.767 1.00 0.00 C ATOM 1561 O ASP A 101 -0.142 10.860 11.650 1.00 0.00 O ATOM 1562 CB ASP A 101 2.015 8.289 10.755 1.00 0.00 C ATOM 1563 CG ASP A 101 2.242 6.988 11.499 1.00 0.00 C ATOM 1564 OD1 ASP A 101 1.298 6.175 11.573 1.00 0.00 O ATOM 1565 OD2 ASP A 101 3.364 6.783 12.008 1.00 0.00 O ATOM 0 H ASP A 101 0.182 8.444 8.737 1.00 0.00 H new ATOM 0 HA ASP A 101 0.087 8.367 11.698 1.00 0.00 H new ATOM 0 HB2 ASP A 101 2.338 8.173 9.720 1.00 0.00 H new ATOM 0 HB3 ASP A 101 2.634 9.070 11.197 1.00 0.00 H new ATOM 1570 N THR A 102 1.075 10.865 9.757 1.00 0.00 N ATOM 1571 CA THR A 102 1.069 12.317 9.628 1.00 0.00 C ATOM 1572 C THR A 102 0.689 12.742 8.214 1.00 0.00 C ATOM 1573 O THR A 102 0.563 13.932 7.925 1.00 0.00 O ATOM 1574 CB THR A 102 2.442 12.918 9.981 1.00 0.00 C ATOM 1575 OG1 THR A 102 2.328 14.336 10.148 1.00 0.00 O ATOM 1576 CG2 THR A 102 3.463 12.610 8.896 1.00 0.00 C ATOM 0 H THR A 102 1.580 10.378 9.017 1.00 0.00 H new ATOM 0 HA THR A 102 0.325 12.693 10.330 1.00 0.00 H new ATOM 0 HB THR A 102 2.781 12.469 10.914 1.00 0.00 H new ATOM 0 HG1 THR A 102 1.749 14.702 9.447 1.00 0.00 H new ATOM 0 HG21 THR A 102 4.425 13.045 9.168 1.00 0.00 H new ATOM 0 HG22 THR A 102 3.569 11.530 8.792 1.00 0.00 H new ATOM 0 HG23 THR A 102 3.127 13.034 7.950 1.00 0.00 H new ATOM 1584 N THR A 103 0.506 11.761 7.336 1.00 0.00 N ATOM 1585 CA THR A 103 0.141 12.034 5.951 1.00 0.00 C ATOM 1586 C THR A 103 -0.695 10.899 5.370 1.00 0.00 C ATOM 1587 O THR A 103 -0.820 9.833 5.973 1.00 0.00 O ATOM 1588 CB THR A 103 1.388 12.241 5.071 1.00 0.00 C ATOM 1589 OG1 THR A 103 1.023 12.893 3.850 1.00 0.00 O ATOM 1590 CG2 THR A 103 2.058 10.911 4.761 1.00 0.00 C ATOM 0 H THR A 103 0.604 10.771 7.559 1.00 0.00 H new ATOM 0 HA THR A 103 -0.448 12.951 5.954 1.00 0.00 H new ATOM 0 HB THR A 103 2.093 12.866 5.619 1.00 0.00 H new ATOM 0 HG1 THR A 103 1.822 13.022 3.297 1.00 0.00 H new ATOM 0 HG21 THR A 103 2.936 11.082 4.138 1.00 0.00 H new ATOM 0 HG22 THR A 103 2.361 10.431 5.691 1.00 0.00 H new ATOM 0 HG23 THR A 103 1.358 10.266 4.231 1.00 0.00 H new ATOM 1598 N THR A 104 -1.266 11.135 4.192 1.00 0.00 N ATOM 1599 CA THR A 104 -2.091 10.133 3.529 1.00 0.00 C ATOM 1600 C THR A 104 -1.395 9.581 2.290 1.00 0.00 C ATOM 1601 O THR A 104 -0.278 9.984 1.961 1.00 0.00 O ATOM 1602 CB THR A 104 -3.459 10.711 3.121 1.00 0.00 C ATOM 1603 OG1 THR A 104 -3.276 11.849 2.271 1.00 0.00 O ATOM 1604 CG2 THR A 104 -4.264 11.112 4.348 1.00 0.00 C ATOM 0 H THR A 104 -1.172 12.011 3.678 1.00 0.00 H new ATOM 0 HA THR A 104 -2.246 9.326 4.246 1.00 0.00 H new ATOM 0 HB THR A 104 -4.009 9.940 2.581 1.00 0.00 H new ATOM 0 HG1 THR A 104 -4.150 12.210 2.015 1.00 0.00 H new ATOM 0 HG21 THR A 104 -5.226 11.518 4.035 1.00 0.00 H new ATOM 0 HG22 THR A 104 -4.426 10.238 4.978 1.00 0.00 H new ATOM 0 HG23 THR A 104 -3.717 11.869 4.911 1.00 0.00 H new ATOM 1612 N LEU A 105 -2.061 8.658 1.605 1.00 0.00 N ATOM 1613 CA LEU A 105 -1.507 8.051 0.399 1.00 0.00 C ATOM 1614 C LEU A 105 -1.881 8.860 -0.839 1.00 0.00 C ATOM 1615 O LEU A 105 -3.040 8.879 -1.253 1.00 0.00 O ATOM 1616 CB LEU A 105 -2.006 6.613 0.253 1.00 0.00 C ATOM 1617 CG LEU A 105 -1.716 5.679 1.428 1.00 0.00 C ATOM 1618 CD1 LEU A 105 -2.223 4.276 1.133 1.00 0.00 C ATOM 1619 CD2 LEU A 105 -0.226 5.656 1.735 1.00 0.00 C ATOM 0 H LEU A 105 -2.985 8.313 1.864 1.00 0.00 H new ATOM 0 HA LEU A 105 -0.421 8.044 0.491 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -3.084 6.638 0.092 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -1.560 6.184 -0.644 1.00 0.00 H new ATOM 0 HG LEU A 105 -2.242 6.056 2.305 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -2.008 3.626 1.981 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -3.299 4.306 0.963 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -1.726 3.889 0.243 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -0.038 4.986 2.574 1.00 0.00 H new ATOM 0 HD22 LEU A 105 0.320 5.304 0.860 1.00 0.00 H new ATOM 0 HD23 LEU A 105 0.108 6.661 1.991 1.00 0.00 H new ATOM 1631 N ILE A 106 -0.891 9.524 -1.426 1.00 0.00 N ATOM 1632 CA ILE A 106 -1.116 10.331 -2.619 1.00 0.00 C ATOM 1633 C ILE A 106 -0.998 9.487 -3.884 1.00 0.00 C ATOM 1634 O ILE A 106 -1.995 9.202 -4.546 1.00 0.00 O ATOM 1635 CB ILE A 106 -0.119 11.502 -2.702 1.00 0.00 C ATOM 1636 CG1 ILE A 106 -0.190 12.352 -1.431 1.00 0.00 C ATOM 1637 CG2 ILE A 106 -0.404 12.353 -3.931 1.00 0.00 C ATOM 1638 CD1 ILE A 106 -1.500 13.090 -1.270 1.00 0.00 C ATOM 0 H ILE A 106 0.074 9.519 -1.095 1.00 0.00 H new ATOM 0 HA ILE A 106 -2.128 10.730 -2.544 1.00 0.00 H new ATOM 0 HB ILE A 106 0.889 11.097 -2.790 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -0.036 11.709 -0.565 1.00 0.00 H new ATOM 0 HG13 ILE A 106 0.626 13.075 -1.441 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.308 13.177 -3.976 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -0.308 11.741 -4.828 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -1.417 12.752 -3.870 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -1.479 13.671 -0.348 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -1.647 13.759 -2.118 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -2.319 12.372 -1.228 1.00 0.00 H new ATOM 1650 N GLU A 107 0.227 9.091 -4.212 1.00 0.00 N ATOM 1651 CA GLU A 107 0.475 8.278 -5.397 1.00 0.00 C ATOM 1652 C GLU A 107 1.656 7.337 -5.176 1.00 0.00 C ATOM 1653 O GLU A 107 2.581 7.629 -4.417 1.00 0.00 O ATOM 1654 CB GLU A 107 0.743 9.173 -6.609 1.00 0.00 C ATOM 1655 CG GLU A 107 1.930 10.104 -6.428 1.00 0.00 C ATOM 1656 CD GLU A 107 2.337 10.788 -7.719 1.00 0.00 C ATOM 1657 OE1 GLU A 107 1.754 11.844 -8.040 1.00 0.00 O ATOM 1658 OE2 GLU A 107 3.239 10.267 -8.408 1.00 0.00 O ATOM 0 H GLU A 107 1.063 9.320 -3.674 1.00 0.00 H new ATOM 0 HA GLU A 107 -0.415 7.677 -5.586 1.00 0.00 H new ATOM 0 HB2 GLU A 107 0.915 8.545 -7.483 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -0.147 9.768 -6.814 1.00 0.00 H new ATOM 0 HG2 GLU A 107 1.684 10.860 -5.683 1.00 0.00 H new ATOM 0 HG3 GLU A 107 2.776 9.537 -6.039 1.00 0.00 H new ATOM 1665 N PRO A 108 1.624 6.179 -5.852 1.00 0.00 N ATOM 1666 CA PRO A 108 2.683 5.171 -5.746 1.00 0.00 C ATOM 1667 C PRO A 108 3.986 5.628 -6.394 1.00 0.00 C ATOM 1668 O PRO A 108 3.974 6.365 -7.380 1.00 0.00 O ATOM 1669 CB PRO A 108 2.105 3.969 -6.496 1.00 0.00 C ATOM 1670 CG PRO A 108 1.128 4.556 -7.456 1.00 0.00 C ATOM 1671 CD PRO A 108 0.553 5.766 -6.774 1.00 0.00 C ATOM 0 HA PRO A 108 2.941 4.959 -4.709 1.00 0.00 H new ATOM 0 HB2 PRO A 108 2.886 3.414 -7.016 1.00 0.00 H new ATOM 0 HB3 PRO A 108 1.619 3.272 -5.813 1.00 0.00 H new ATOM 0 HG2 PRO A 108 1.616 4.830 -8.391 1.00 0.00 H new ATOM 0 HG3 PRO A 108 0.345 3.839 -7.704 1.00 0.00 H new ATOM 0 HD2 PRO A 108 0.312 6.553 -7.488 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -0.367 5.527 -6.240 1.00 0.00 H new ATOM 1679 N ALA A 109 5.107 5.186 -5.834 1.00 0.00 N ATOM 1680 CA ALA A 109 6.417 5.548 -6.360 1.00 0.00 C ATOM 1681 C ALA A 109 6.594 5.044 -7.789 1.00 0.00 C ATOM 1682 O ALA A 109 5.931 4.104 -8.227 1.00 0.00 O ATOM 1683 CB ALA A 109 7.516 4.997 -5.464 1.00 0.00 C ATOM 0 H ALA A 109 5.134 4.577 -5.016 1.00 0.00 H new ATOM 0 HA ALA A 109 6.487 6.636 -6.375 1.00 0.00 H new ATOM 0 HB1 ALA A 109 8.489 5.275 -5.869 1.00 0.00 H new ATOM 0 HB2 ALA A 109 7.409 5.410 -4.461 1.00 0.00 H new ATOM 0 HB3 ALA A 109 7.439 3.911 -5.419 1.00 0.00 H new ATOM 1689 N PRO A 110 7.508 5.683 -8.533 1.00 0.00 N ATOM 1690 CA PRO A 110 7.793 5.316 -9.924 1.00 0.00 C ATOM 1691 C PRO A 110 8.500 3.970 -10.035 1.00 0.00 C ATOM 1692 O PRO A 110 9.261 3.582 -9.148 1.00 0.00 O ATOM 1693 CB PRO A 110 8.710 6.443 -10.408 1.00 0.00 C ATOM 1694 CG PRO A 110 9.355 6.963 -9.170 1.00 0.00 C ATOM 1695 CD PRO A 110 8.335 6.812 -8.076 1.00 0.00 C ATOM 0 HA PRO A 110 6.881 5.208 -10.512 1.00 0.00 H new ATOM 0 HB2 PRO A 110 9.452 6.074 -11.116 1.00 0.00 H new ATOM 0 HB3 PRO A 110 8.144 7.223 -10.917 1.00 0.00 H new ATOM 0 HG2 PRO A 110 10.261 6.404 -8.938 1.00 0.00 H new ATOM 0 HG3 PRO A 110 9.646 8.006 -9.291 1.00 0.00 H new ATOM 0 HD2 PRO A 110 8.805 6.603 -7.115 1.00 0.00 H new ATOM 0 HD3 PRO A 110 7.743 7.719 -7.951 1.00 0.00 H new ATOM 1703 N ARG A 111 8.245 3.261 -11.130 1.00 0.00 N ATOM 1704 CA ARG A 111 8.857 1.957 -11.356 1.00 0.00 C ATOM 1705 C ARG A 111 10.010 2.063 -12.350 1.00 0.00 C ATOM 1706 O ARG A 111 10.840 1.159 -12.450 1.00 0.00 O ATOM 1707 CB ARG A 111 7.814 0.963 -11.872 1.00 0.00 C ATOM 1708 CG ARG A 111 6.714 1.609 -12.698 1.00 0.00 C ATOM 1709 CD ARG A 111 5.554 2.060 -11.824 1.00 0.00 C ATOM 1710 NE ARG A 111 4.362 2.366 -12.612 1.00 0.00 N ATOM 1711 CZ ARG A 111 3.405 3.193 -12.205 1.00 0.00 C ATOM 1712 NH1 ARG A 111 3.499 3.793 -11.027 1.00 0.00 N ATOM 1713 NH2 ARG A 111 2.352 3.421 -12.979 1.00 0.00 N ATOM 0 H ARG A 111 7.619 3.568 -11.874 1.00 0.00 H new ATOM 0 HA ARG A 111 9.251 1.598 -10.405 1.00 0.00 H new ATOM 0 HB2 ARG A 111 8.314 0.206 -12.476 1.00 0.00 H new ATOM 0 HB3 ARG A 111 7.364 0.448 -11.023 1.00 0.00 H new ATOM 0 HG2 ARG A 111 7.118 2.465 -13.239 1.00 0.00 H new ATOM 0 HG3 ARG A 111 6.355 0.901 -13.445 1.00 0.00 H new ATOM 0 HD2 ARG A 111 5.320 1.279 -11.101 1.00 0.00 H new ATOM 0 HD3 ARG A 111 5.850 2.942 -11.256 1.00 0.00 H new ATOM 0 HE ARG A 111 4.259 1.921 -13.524 1.00 0.00 H new ATOM 0 HH11 ARG A 111 4.308 3.620 -10.430 1.00 0.00 H new ATOM 0 HH12 ARG A 111 2.763 4.427 -10.718 1.00 0.00 H new ATOM 0 HH21 ARG A 111 2.277 2.961 -13.887 1.00 0.00 H new ATOM 0 HH22 ARG A 111 1.617 4.056 -12.667 1.00 0.00 H new TER 1727 ARG A 111