USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 558 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 HIS : no HD1:sc= -0.0208 X(o=-0.021,f=0) USER MOD Single : A 6 HIS : no HD1:sc= -0.501 X(o=-0.5,f=-0.52) USER MOD Single : A 7 HIS : no HD1:sc= -0.017 X(o=-0.017,f=-0.0082) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 HIS : no HD1:sc= -0.248 X(o=-0.25,f=-0.35) USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 SER OG : rot 180:sc= -0.144 USER MOD Single : A 12 SER OG : rot 180:sc= -0.0106 USER MOD Single : A 29 THR OG1 : rot -160:sc= -0.164 USER MOD Single : A 30 ASN : amide:sc= -0.0428 X(o=-0.043,f=0) USER MOD Single : A 36 SER OG : rot 65:sc= 0.708 USER MOD Single : A 49 HIS : no HE2:sc= 1.16 K(o=1.2,f=-4!) USER MOD Single : A 73 HIS : no HE2:sc= 0.762 K(o=0.76,f=-3.6!) USER MOD Single : A 85 THR OG1 : rot 85:sc= 1.26 USER MOD Single : A 91 HIS : no HD1:sc= -0.588 K(o=-0.59,f=0.14) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 37.200 7.285 39.140 1.00 0.00 N ATOM 2 CA MET A 1 36.268 6.222 38.704 1.00 52.33 C ATOM 3 C MET A 1 35.419 6.717 37.542 1.00 61.15 C ATOM 4 O MET A 1 34.384 7.359 37.746 1.00 23.22 O ATOM 5 CB MET A 1 35.363 5.795 39.866 1.00 25.11 C ATOM 6 CG MET A 1 34.431 4.639 39.531 1.00 34.52 C ATOM 7 SD MET A 1 33.289 4.263 40.876 1.00 2.14 S ATOM 8 CE MET A 1 32.407 2.867 40.183 1.00 15.24 C ATOM 0 H1 MET A 1 37.776 6.938 39.934 1.00 0.00 H new ATOM 0 H2 MET A 1 37.823 7.547 38.349 1.00 0.00 H new ATOM 0 H3 MET A 1 36.658 8.119 39.444 1.00 0.00 H new ATOM 0 HA MET A 1 36.851 5.360 38.379 1.00 52.33 H new ATOM 0 HB2 MET A 1 35.987 5.512 40.714 1.00 25.11 H new ATOM 0 HB3 MET A 1 34.766 6.650 40.181 1.00 25.11 H new ATOM 0 HG2 MET A 1 33.863 4.883 38.633 1.00 34.52 H new ATOM 0 HG3 MET A 1 35.023 3.753 39.303 1.00 34.52 H new ATOM 0 HE1 MET A 1 31.662 2.517 40.897 1.00 15.24 H new ATOM 0 HE2 MET A 1 31.912 3.171 39.261 1.00 15.24 H new ATOM 0 HE3 MET A 1 33.110 2.062 39.969 1.00 15.24 H new ATOM 20 N GLY A 2 35.875 6.455 36.325 1.00 61.43 N ATOM 21 CA GLY A 2 35.117 6.840 35.157 1.00 21.14 C ATOM 22 C GLY A 2 35.657 8.085 34.487 1.00 43.14 C ATOM 23 O GLY A 2 35.849 9.117 35.133 1.00 43.15 O ATOM 0 H GLY A 2 36.757 5.982 36.128 1.00 61.43 H new ATOM 0 HA2 GLY A 2 35.120 6.018 34.441 1.00 21.14 H new ATOM 0 HA3 GLY A 2 34.079 7.009 35.443 1.00 21.14 H new ATOM 27 N SER A 3 35.919 7.981 33.194 1.00 22.11 N ATOM 28 CA SER A 3 36.315 9.124 32.393 1.00 61.43 C ATOM 29 C SER A 3 35.460 9.155 31.132 1.00 23.40 C ATOM 30 O SER A 3 35.368 8.157 30.416 1.00 52.25 O ATOM 31 CB SER A 3 37.804 9.042 32.036 1.00 13.43 C ATOM 32 OG SER A 3 38.248 10.235 31.409 1.00 70.22 O ATOM 0 H SER A 3 35.863 7.105 32.674 1.00 22.11 H new ATOM 0 HA SER A 3 36.162 10.042 32.961 1.00 61.43 H new ATOM 0 HB2 SER A 3 38.388 8.864 32.939 1.00 13.43 H new ATOM 0 HB3 SER A 3 37.976 8.194 31.373 1.00 13.43 H new ATOM 0 HG SER A 3 39.201 10.156 31.194 1.00 70.22 H new ATOM 38 N SER A 4 34.801 10.274 30.882 1.00 5.31 N ATOM 39 CA SER A 4 33.883 10.373 29.759 1.00 3.44 C ATOM 40 C SER A 4 33.997 11.724 29.055 1.00 21.21 C ATOM 41 O SER A 4 33.762 12.777 29.654 1.00 3.52 O ATOM 42 CB SER A 4 32.456 10.146 30.255 1.00 3.24 C ATOM 43 OG SER A 4 32.359 8.915 30.959 1.00 30.23 O ATOM 0 H SER A 4 34.884 11.124 31.439 1.00 5.31 H new ATOM 0 HA SER A 4 34.145 9.607 29.029 1.00 3.44 H new ATOM 0 HB2 SER A 4 32.157 10.968 30.906 1.00 3.24 H new ATOM 0 HB3 SER A 4 31.768 10.142 29.410 1.00 3.24 H new ATOM 0 HG SER A 4 31.438 8.788 31.270 1.00 30.23 H new ATOM 49 N HIS A 5 34.383 11.679 27.787 1.00 75.43 N ATOM 50 CA HIS A 5 34.481 12.875 26.963 1.00 22.53 C ATOM 51 C HIS A 5 34.523 12.484 25.491 1.00 73.12 C ATOM 52 O HIS A 5 35.581 12.139 24.964 1.00 3.33 O ATOM 53 CB HIS A 5 35.739 13.678 27.330 1.00 74.14 C ATOM 54 CG HIS A 5 35.817 15.030 26.681 1.00 31.21 C ATOM 55 ND1 HIS A 5 35.515 16.200 27.342 1.00 72.42 N ATOM 56 CD2 HIS A 5 36.173 15.393 25.426 1.00 2.31 C ATOM 57 CE1 HIS A 5 35.674 17.224 26.521 1.00 73.24 C ATOM 58 NE2 HIS A 5 36.073 16.761 25.351 1.00 74.44 N ATOM 0 H HIS A 5 34.636 10.817 27.303 1.00 75.43 H new ATOM 0 HA HIS A 5 33.606 13.499 27.144 1.00 22.53 H new ATOM 0 HB2 HIS A 5 35.773 13.804 28.412 1.00 74.14 H new ATOM 0 HB3 HIS A 5 36.620 13.101 27.049 1.00 74.14 H new ATOM 0 HD2 HIS A 5 36.479 14.729 24.631 1.00 2.31 H new ATOM 0 HE1 HIS A 5 35.506 18.262 26.766 1.00 73.24 H new ATOM 0 HE2 HIS A 5 36.274 17.326 24.526 1.00 74.44 H new ATOM 67 N HIS A 6 33.375 12.511 24.830 1.00 1.54 N ATOM 68 CA HIS A 6 33.320 12.180 23.411 1.00 30.45 C ATOM 69 C HIS A 6 32.358 13.104 22.665 1.00 52.03 C ATOM 70 O HIS A 6 31.154 12.865 22.593 1.00 22.23 O ATOM 71 CB HIS A 6 32.974 10.689 23.187 1.00 13.35 C ATOM 72 CG HIS A 6 31.586 10.263 23.589 1.00 4.44 C ATOM 73 ND1 HIS A 6 30.681 9.730 22.694 1.00 41.11 N ATOM 74 CD2 HIS A 6 30.955 10.274 24.789 1.00 20.24 C ATOM 75 CE1 HIS A 6 29.559 9.439 23.322 1.00 23.10 C ATOM 76 NE2 HIS A 6 29.698 9.756 24.595 1.00 5.20 N ATOM 0 H HIS A 6 32.477 12.756 25.247 1.00 1.54 H new ATOM 0 HA HIS A 6 34.315 12.341 22.996 1.00 30.45 H new ATOM 0 HB2 HIS A 6 33.110 10.460 22.130 1.00 13.35 H new ATOM 0 HB3 HIS A 6 33.692 10.083 23.740 1.00 13.35 H new ATOM 0 HD2 HIS A 6 31.365 10.625 25.724 1.00 20.24 H new ATOM 0 HE1 HIS A 6 28.675 9.013 22.871 1.00 23.10 H new ATOM 0 HE2 HIS A 6 28.988 9.636 25.317 1.00 5.20 H new ATOM 85 N HIS A 7 32.898 14.188 22.135 1.00 4.12 N ATOM 86 CA HIS A 7 32.118 15.121 21.340 1.00 61.24 C ATOM 87 C HIS A 7 32.853 15.439 20.052 1.00 23.12 C ATOM 88 O HIS A 7 33.611 16.408 19.976 1.00 64.41 O ATOM 89 CB HIS A 7 31.823 16.409 22.111 1.00 31.52 C ATOM 90 CG HIS A 7 30.789 16.254 23.182 1.00 31.43 C ATOM 91 ND1 HIS A 7 30.968 16.714 24.467 1.00 64.13 N ATOM 92 CD2 HIS A 7 29.550 15.708 23.151 1.00 64.43 C ATOM 93 CE1 HIS A 7 29.888 16.457 25.182 1.00 32.15 C ATOM 94 NE2 HIS A 7 29.013 15.848 24.405 1.00 74.43 N ATOM 0 H HIS A 7 33.879 14.445 22.242 1.00 4.12 H new ATOM 0 HA HIS A 7 31.163 14.649 21.107 1.00 61.24 H new ATOM 0 HB2 HIS A 7 32.747 16.770 22.562 1.00 31.52 H new ATOM 0 HB3 HIS A 7 31.492 17.173 21.408 1.00 31.52 H new ATOM 0 HD2 HIS A 7 29.074 15.248 22.298 1.00 64.43 H new ATOM 0 HE1 HIS A 7 29.746 16.703 26.224 1.00 32.15 H new ATOM 0 HE2 HIS A 7 28.086 15.532 24.691 1.00 74.43 H new ATOM 103 N HIS A 8 32.654 14.596 19.053 1.00 71.40 N ATOM 104 CA HIS A 8 33.308 14.776 17.767 1.00 34.34 C ATOM 105 C HIS A 8 32.570 14.006 16.683 1.00 44.44 C ATOM 106 O HIS A 8 32.917 12.867 16.366 1.00 54.51 O ATOM 107 CB HIS A 8 34.770 14.320 17.840 1.00 54.34 C ATOM 108 CG HIS A 8 35.600 14.742 16.665 1.00 44.31 C ATOM 109 ND1 HIS A 8 36.015 13.874 15.675 1.00 50.54 N ATOM 110 CD2 HIS A 8 36.108 15.953 16.337 1.00 71.54 C ATOM 111 CE1 HIS A 8 36.740 14.535 14.789 1.00 32.43 C ATOM 112 NE2 HIS A 8 36.810 15.796 15.169 1.00 10.24 N ATOM 0 H HIS A 8 32.045 13.780 19.107 1.00 71.40 H new ATOM 0 HA HIS A 8 33.287 15.837 17.516 1.00 34.34 H new ATOM 0 HB2 HIS A 8 35.219 14.718 18.750 1.00 54.34 H new ATOM 0 HB3 HIS A 8 34.797 13.233 17.919 1.00 54.34 H new ATOM 0 HD2 HIS A 8 35.984 16.871 16.891 1.00 71.54 H new ATOM 0 HE1 HIS A 8 37.197 14.114 13.905 1.00 32.43 H new ATOM 0 HE2 HIS A 8 37.307 16.536 14.673 1.00 10.24 H new ATOM 121 N HIS A 9 31.530 14.620 16.142 1.00 74.01 N ATOM 122 CA HIS A 9 30.747 14.014 15.077 1.00 43.33 C ATOM 123 C HIS A 9 30.020 15.106 14.296 1.00 2.30 C ATOM 124 O HIS A 9 28.846 14.972 13.953 1.00 73.22 O ATOM 125 CB HIS A 9 29.745 12.994 15.645 1.00 33.24 C ATOM 126 CG HIS A 9 29.062 12.174 14.586 1.00 63.10 C ATOM 127 ND1 HIS A 9 27.712 12.243 14.335 1.00 54.11 N ATOM 128 CD2 HIS A 9 29.561 11.276 13.700 1.00 34.11 C ATOM 129 CE1 HIS A 9 27.406 11.426 13.344 1.00 52.12 C ATOM 130 NE2 HIS A 9 28.510 10.826 12.936 1.00 42.21 N ATOM 0 H HIS A 9 31.207 15.545 16.426 1.00 74.01 H new ATOM 0 HA HIS A 9 31.418 13.480 14.405 1.00 43.33 H new ATOM 0 HB2 HIS A 9 30.267 12.326 16.331 1.00 33.24 H new ATOM 0 HB3 HIS A 9 28.990 13.523 16.227 1.00 33.24 H new ATOM 0 HD2 HIS A 9 30.593 10.971 13.611 1.00 34.11 H new ATOM 0 HE1 HIS A 9 26.418 11.274 12.935 1.00 52.12 H new ATOM 0 HE2 HIS A 9 28.572 10.143 12.181 1.00 42.21 H new ATOM 139 N HIS A 10 30.723 16.193 14.020 1.00 5.10 N ATOM 140 CA HIS A 10 30.157 17.269 13.224 1.00 10.33 C ATOM 141 C HIS A 10 30.329 16.936 11.747 1.00 43.42 C ATOM 142 O HIS A 10 31.330 17.295 11.123 1.00 1.44 O ATOM 143 CB HIS A 10 30.823 18.609 13.558 1.00 44.21 C ATOM 144 CG HIS A 10 30.077 19.798 13.038 1.00 24.10 C ATOM 145 ND1 HIS A 10 30.446 20.483 11.900 1.00 31.51 N ATOM 146 CD2 HIS A 10 28.987 20.440 13.522 1.00 62.21 C ATOM 147 CE1 HIS A 10 29.615 21.489 11.705 1.00 25.42 C ATOM 148 NE2 HIS A 10 28.722 21.485 12.675 1.00 74.01 N ATOM 0 H HIS A 10 31.680 16.353 14.333 1.00 5.10 H new ATOM 0 HA HIS A 10 29.096 17.365 13.455 1.00 10.33 H new ATOM 0 HB2 HIS A 10 30.920 18.697 14.640 1.00 44.21 H new ATOM 0 HB3 HIS A 10 31.832 18.616 13.146 1.00 44.21 H new ATOM 0 HD2 HIS A 10 28.430 20.178 14.410 1.00 62.21 H new ATOM 0 HE1 HIS A 10 29.659 22.196 10.889 1.00 25.42 H new ATOM 0 HE2 HIS A 10 27.957 22.152 12.779 1.00 74.01 H new ATOM 157 N SER A 11 29.369 16.203 11.209 1.00 20.24 N ATOM 158 CA SER A 11 29.430 15.727 9.840 1.00 34.40 C ATOM 159 C SER A 11 28.021 15.476 9.314 1.00 2.20 C ATOM 160 O SER A 11 27.381 14.483 9.665 1.00 63.11 O ATOM 161 CB SER A 11 30.257 14.437 9.764 1.00 33.52 C ATOM 162 OG SER A 11 31.560 14.628 10.302 1.00 3.11 O ATOM 0 H SER A 11 28.526 15.922 11.710 1.00 20.24 H new ATOM 0 HA SER A 11 29.909 16.487 9.223 1.00 34.40 H new ATOM 0 HB2 SER A 11 29.748 13.643 10.310 1.00 33.52 H new ATOM 0 HB3 SER A 11 30.333 14.112 8.727 1.00 33.52 H new ATOM 0 HG SER A 11 32.065 13.790 10.242 1.00 3.11 H new ATOM 168 N SER A 12 27.525 16.394 8.502 1.00 2.15 N ATOM 169 CA SER A 12 26.201 16.260 7.917 1.00 14.45 C ATOM 170 C SER A 12 26.151 16.941 6.553 1.00 60.45 C ATOM 171 O SER A 12 26.299 18.160 6.449 1.00 25.11 O ATOM 172 CB SER A 12 25.144 16.859 8.849 1.00 21.40 C ATOM 173 OG SER A 12 25.151 16.217 10.118 1.00 21.52 O ATOM 0 H SER A 12 28.021 17.243 8.232 1.00 2.15 H new ATOM 0 HA SER A 12 25.987 15.200 7.784 1.00 14.45 H new ATOM 0 HB2 SER A 12 25.331 17.925 8.977 1.00 21.40 H new ATOM 0 HB3 SER A 12 24.158 16.761 8.395 1.00 21.40 H new ATOM 0 HG SER A 12 24.468 16.621 10.693 1.00 21.52 H new ATOM 179 N GLY A 13 25.963 16.144 5.513 1.00 0.52 N ATOM 180 CA GLY A 13 25.871 16.684 4.176 1.00 44.10 C ATOM 181 C GLY A 13 24.458 16.623 3.642 1.00 54.51 C ATOM 182 O GLY A 13 23.590 15.990 4.240 1.00 62.22 O ATOM 0 H GLY A 13 25.872 15.130 5.573 1.00 0.52 H new ATOM 0 HA2 GLY A 13 26.215 17.718 4.177 1.00 44.10 H new ATOM 0 HA3 GLY A 13 26.534 16.128 3.513 1.00 44.10 H new ATOM 186 N ARG A 14 24.226 17.279 2.520 1.00 41.11 N ATOM 187 CA ARG A 14 22.905 17.305 1.907 1.00 71.44 C ATOM 188 C ARG A 14 22.926 16.616 0.545 1.00 45.05 C ATOM 189 O ARG A 14 23.418 17.168 -0.438 1.00 42.23 O ATOM 190 CB ARG A 14 22.409 18.752 1.776 1.00 54.30 C ATOM 191 CG ARG A 14 23.459 19.700 1.227 1.00 21.44 C ATOM 192 CD ARG A 14 22.957 21.132 1.166 1.00 33.43 C ATOM 193 NE ARG A 14 24.051 22.070 0.918 1.00 14.44 N ATOM 194 CZ ARG A 14 23.915 23.393 0.917 1.00 15.24 C ATOM 195 NH1 ARG A 14 22.711 23.940 1.013 1.00 31.04 N ATOM 196 NH2 ARG A 14 24.982 24.169 0.802 1.00 24.23 N ATOM 0 H ARG A 14 24.937 17.804 2.011 1.00 41.11 H new ATOM 0 HA ARG A 14 22.215 16.758 2.550 1.00 71.44 H new ATOM 0 HB2 ARG A 14 21.536 18.772 1.124 1.00 54.30 H new ATOM 0 HB3 ARG A 14 22.085 19.107 2.754 1.00 54.30 H new ATOM 0 HG2 ARG A 14 24.351 19.655 1.852 1.00 21.44 H new ATOM 0 HG3 ARG A 14 23.753 19.376 0.229 1.00 21.44 H new ATOM 0 HD2 ARG A 14 22.211 21.224 0.377 1.00 33.43 H new ATOM 0 HD3 ARG A 14 22.463 21.386 2.104 1.00 33.43 H new ATOM 0 HE ARG A 14 24.978 21.685 0.734 1.00 14.44 H new ATOM 0 HH11 ARG A 14 21.885 23.346 1.088 1.00 31.04 H new ATOM 0 HH12 ARG A 14 22.610 24.955 1.012 1.00 31.04 H new ATOM 0 HH21 ARG A 14 25.909 23.752 0.714 1.00 24.23 H new ATOM 0 HH22 ARG A 14 24.877 25.184 0.801 1.00 24.23 H new ATOM 210 N GLU A 15 22.423 15.391 0.497 1.00 24.13 N ATOM 211 CA GLU A 15 22.334 14.662 -0.756 1.00 62.52 C ATOM 212 C GLU A 15 21.078 15.076 -1.514 1.00 44.32 C ATOM 213 O GLU A 15 19.991 15.163 -0.942 1.00 51.14 O ATOM 214 CB GLU A 15 22.366 13.149 -0.507 1.00 50.22 C ATOM 215 CG GLU A 15 21.346 12.658 0.507 1.00 33.43 C ATOM 216 CD GLU A 15 21.500 11.179 0.795 1.00 25.22 C ATOM 217 OE1 GLU A 15 22.310 10.823 1.677 1.00 12.43 O ATOM 218 OE2 GLU A 15 20.824 10.361 0.134 1.00 73.02 O ATOM 0 H GLU A 15 22.072 14.884 1.309 1.00 24.13 H new ATOM 0 HA GLU A 15 23.199 14.910 -1.371 1.00 62.52 H new ATOM 0 HB2 GLU A 15 22.197 12.634 -1.453 1.00 50.22 H new ATOM 0 HB3 GLU A 15 23.363 12.870 -0.166 1.00 50.22 H new ATOM 0 HG2 GLU A 15 21.456 13.221 1.434 1.00 33.43 H new ATOM 0 HG3 GLU A 15 20.341 12.852 0.133 1.00 33.43 H new ATOM 341 N LEU A 23 2.521 10.865 -8.482 1.00 42.01 N ATOM 342 CA LEU A 23 1.890 9.864 -7.621 1.00 45.45 C ATOM 343 C LEU A 23 2.868 8.723 -7.341 1.00 74.05 C ATOM 344 O LEU A 23 3.077 7.840 -8.174 1.00 31.14 O ATOM 345 CB LEU A 23 0.586 9.326 -8.228 1.00 63.44 C ATOM 346 CG LEU A 23 -0.518 10.366 -8.427 1.00 40.50 C ATOM 347 CD1 LEU A 23 -1.738 9.728 -9.067 1.00 35.13 C ATOM 348 CD2 LEU A 23 -0.884 11.006 -7.097 1.00 51.21 C ATOM 0 HA LEU A 23 1.629 10.349 -6.680 1.00 45.45 H new ATOM 0 HB2 LEU A 23 0.813 8.872 -9.192 1.00 63.44 H new ATOM 0 HB3 LEU A 23 0.204 8.533 -7.584 1.00 63.44 H new ATOM 0 HG LEU A 23 -0.149 11.144 -9.095 1.00 40.50 H new ATOM 0 HD11 LEU A 23 -2.514 10.481 -9.202 1.00 35.13 H new ATOM 0 HD12 LEU A 23 -1.464 9.312 -10.036 1.00 35.13 H new ATOM 0 HD13 LEU A 23 -2.113 8.932 -8.423 1.00 35.13 H new ATOM 0 HD21 LEU A 23 -1.671 11.744 -7.253 1.00 51.21 H new ATOM 0 HD22 LEU A 23 -1.238 10.238 -6.409 1.00 51.21 H new ATOM 0 HD23 LEU A 23 -0.006 11.495 -6.675 1.00 51.21 H new ATOM 360 N ARG A 24 3.471 8.749 -6.162 1.00 73.41 N ATOM 361 CA ARG A 24 4.503 7.785 -5.816 1.00 34.53 C ATOM 362 C ARG A 24 3.966 6.780 -4.809 1.00 50.13 C ATOM 363 O ARG A 24 3.108 7.112 -3.989 1.00 2.23 O ATOM 364 CB ARG A 24 5.735 8.486 -5.230 1.00 64.01 C ATOM 365 CG ARG A 24 6.375 9.518 -6.150 1.00 65.02 C ATOM 366 CD ARG A 24 7.640 10.097 -5.530 1.00 43.52 C ATOM 367 NE ARG A 24 8.236 11.163 -6.338 1.00 51.34 N ATOM 368 CZ ARG A 24 9.512 11.546 -6.244 1.00 54.13 C ATOM 369 NH1 ARG A 24 10.343 10.922 -5.411 1.00 20.10 N ATOM 370 NH2 ARG A 24 9.955 12.553 -6.988 1.00 51.52 N ATOM 0 H ARG A 24 3.263 9.427 -5.429 1.00 73.41 H new ATOM 0 HA ARG A 24 4.797 7.266 -6.728 1.00 34.53 H new ATOM 0 HB2 ARG A 24 5.450 8.976 -4.299 1.00 64.01 H new ATOM 0 HB3 ARG A 24 6.480 7.732 -4.978 1.00 64.01 H new ATOM 0 HG2 ARG A 24 6.614 9.057 -7.108 1.00 65.02 H new ATOM 0 HG3 ARG A 24 5.665 10.320 -6.351 1.00 65.02 H new ATOM 0 HD2 ARG A 24 7.407 10.487 -4.539 1.00 43.52 H new ATOM 0 HD3 ARG A 24 8.370 9.299 -5.395 1.00 43.52 H new ATOM 0 HE ARG A 24 7.641 11.642 -7.014 1.00 51.34 H new ATOM 0 HH11 ARG A 24 10.006 10.147 -4.840 1.00 20.10 H new ATOM 0 HH12 ARG A 24 11.316 11.219 -5.344 1.00 20.10 H new ATOM 0 HH21 ARG A 24 9.321 13.031 -7.629 1.00 51.52 H new ATOM 0 HH22 ARG A 24 10.929 12.848 -6.919 1.00 51.52 H new ATOM 384 N GLU A 25 4.457 5.554 -4.883 1.00 50.14 N ATOM 385 CA GLU A 25 4.065 4.516 -3.947 1.00 4.12 C ATOM 386 C GLU A 25 4.700 4.788 -2.590 1.00 24.45 C ATOM 387 O GLU A 25 5.867 5.164 -2.513 1.00 14.23 O ATOM 388 CB GLU A 25 4.494 3.146 -4.474 1.00 63.42 C ATOM 389 CG GLU A 25 3.924 1.975 -3.690 1.00 50.31 C ATOM 390 CD GLU A 25 4.387 0.638 -4.236 1.00 42.40 C ATOM 391 OE1 GLU A 25 4.059 0.325 -5.402 1.00 60.12 O ATOM 392 OE2 GLU A 25 5.064 -0.109 -3.502 1.00 1.43 O ATOM 0 H GLU A 25 5.132 5.253 -5.586 1.00 50.14 H new ATOM 0 HA GLU A 25 2.981 4.518 -3.837 1.00 4.12 H new ATOM 0 HB2 GLU A 25 4.186 3.056 -5.516 1.00 63.42 H new ATOM 0 HB3 GLU A 25 5.582 3.086 -4.457 1.00 63.42 H new ATOM 0 HG2 GLU A 25 4.221 2.061 -2.645 1.00 50.31 H new ATOM 0 HG3 GLU A 25 2.835 2.018 -3.716 1.00 50.31 H new ATOM 399 N LEU A 26 3.925 4.625 -1.533 1.00 12.15 N ATOM 400 CA LEU A 26 4.420 4.860 -0.188 1.00 14.41 C ATOM 401 C LEU A 26 4.828 3.537 0.448 1.00 61.00 C ATOM 402 O LEU A 26 5.932 3.405 0.974 1.00 3.31 O ATOM 403 CB LEU A 26 3.348 5.571 0.659 1.00 61.55 C ATOM 404 CG LEU A 26 3.857 6.355 1.880 1.00 43.12 C ATOM 405 CD1 LEU A 26 4.334 5.425 2.984 1.00 20.14 C ATOM 406 CD2 LEU A 26 4.969 7.307 1.467 1.00 13.41 C ATOM 0 H LEU A 26 2.950 4.331 -1.580 1.00 12.15 H new ATOM 0 HA LEU A 26 5.296 5.507 -0.235 1.00 14.41 H new ATOM 0 HB2 LEU A 26 2.802 6.259 0.013 1.00 61.55 H new ATOM 0 HB3 LEU A 26 2.634 4.824 1.005 1.00 61.55 H new ATOM 0 HG LEU A 26 3.023 6.934 2.277 1.00 43.12 H new ATOM 0 HD11 LEU A 26 4.686 6.015 3.830 1.00 20.14 H new ATOM 0 HD12 LEU A 26 3.510 4.788 3.304 1.00 20.14 H new ATOM 0 HD13 LEU A 26 5.148 4.804 2.610 1.00 20.14 H new ATOM 0 HD21 LEU A 26 5.321 7.856 2.340 1.00 13.41 H new ATOM 0 HD22 LEU A 26 5.795 6.738 1.039 1.00 13.41 H new ATOM 0 HD23 LEU A 26 4.590 8.010 0.725 1.00 13.41 H new ATOM 418 N LEU A 27 3.936 2.554 0.394 1.00 75.10 N ATOM 419 CA LEU A 27 4.219 1.244 0.961 1.00 32.42 C ATOM 420 C LEU A 27 3.327 0.180 0.336 1.00 15.23 C ATOM 421 O LEU A 27 2.252 0.488 -0.189 1.00 22.53 O ATOM 422 CB LEU A 27 4.034 1.239 2.488 1.00 53.04 C ATOM 423 CG LEU A 27 2.585 1.286 3.001 1.00 3.24 C ATOM 424 CD1 LEU A 27 2.531 0.845 4.455 1.00 75.01 C ATOM 425 CD2 LEU A 27 2.000 2.681 2.855 1.00 74.54 C ATOM 0 H LEU A 27 3.015 2.640 -0.035 1.00 75.10 H new ATOM 0 HA LEU A 27 5.261 1.015 0.738 1.00 32.42 H new ATOM 0 HB2 LEU A 27 4.509 0.343 2.887 1.00 53.04 H new ATOM 0 HB3 LEU A 27 4.570 2.094 2.900 1.00 53.04 H new ATOM 0 HG LEU A 27 1.988 0.602 2.398 1.00 3.24 H new ATOM 0 HD11 LEU A 27 1.501 0.882 4.808 1.00 75.01 H new ATOM 0 HD12 LEU A 27 2.908 -0.174 4.540 1.00 75.01 H new ATOM 0 HD13 LEU A 27 3.146 1.511 5.060 1.00 75.01 H new ATOM 0 HD21 LEU A 27 0.975 2.686 3.225 1.00 74.54 H new ATOM 0 HD22 LEU A 27 2.597 3.388 3.431 1.00 74.54 H new ATOM 0 HD23 LEU A 27 2.008 2.971 1.804 1.00 74.54 H new ATOM 437 N ARG A 28 3.772 -1.066 0.415 1.00 44.43 N ATOM 438 CA ARG A 28 3.021 -2.190 -0.123 1.00 1.34 C ATOM 439 C ARG A 28 2.949 -3.312 0.903 1.00 21.23 C ATOM 440 O ARG A 28 3.963 -3.687 1.480 1.00 51.31 O ATOM 441 CB ARG A 28 3.680 -2.707 -1.409 1.00 33.32 C ATOM 442 CG ARG A 28 3.067 -3.999 -1.931 1.00 63.32 C ATOM 443 CD ARG A 28 4.099 -5.117 -2.008 1.00 33.21 C ATOM 444 NE ARG A 28 4.762 -5.354 -0.720 1.00 30.22 N ATOM 445 CZ ARG A 28 5.310 -6.516 -0.361 1.00 54.10 C ATOM 446 NH1 ARG A 28 5.172 -7.591 -1.126 1.00 34.45 N ATOM 447 NH2 ARG A 28 5.972 -6.613 0.785 1.00 2.33 N ATOM 0 H ARG A 28 4.657 -1.325 0.851 1.00 44.43 H new ATOM 0 HA ARG A 28 2.011 -1.851 -0.354 1.00 1.34 H new ATOM 0 HB2 ARG A 28 3.603 -1.941 -2.180 1.00 33.32 H new ATOM 0 HB3 ARG A 28 4.742 -2.867 -1.224 1.00 33.32 H new ATOM 0 HG2 ARG A 28 2.248 -4.303 -1.279 1.00 63.32 H new ATOM 0 HG3 ARG A 28 2.641 -3.827 -2.920 1.00 63.32 H new ATOM 0 HD2 ARG A 28 3.613 -6.035 -2.338 1.00 33.21 H new ATOM 0 HD3 ARG A 28 4.848 -4.866 -2.759 1.00 33.21 H new ATOM 0 HE ARG A 28 4.807 -4.580 -0.057 1.00 30.22 H new ATOM 0 HH11 ARG A 28 4.643 -7.533 -1.996 1.00 34.45 H new ATOM 0 HH12 ARG A 28 5.594 -8.475 -0.844 1.00 34.45 H new ATOM 0 HH21 ARG A 28 6.062 -5.799 1.392 1.00 2.33 H new ATOM 0 HH22 ARG A 28 6.391 -7.502 1.058 1.00 2.33 H new ATOM 461 N THR A 29 1.761 -3.848 1.121 1.00 5.23 N ATOM 462 CA THR A 29 1.593 -4.970 2.031 1.00 52.35 C ATOM 463 C THR A 29 0.535 -5.927 1.487 1.00 12.05 C ATOM 464 O THR A 29 -0.142 -5.624 0.505 1.00 74.30 O ATOM 465 CB THR A 29 1.207 -4.499 3.457 1.00 63.13 C ATOM 466 OG1 THR A 29 1.094 -5.620 4.347 1.00 32.22 O ATOM 467 CG2 THR A 29 -0.100 -3.724 3.440 1.00 41.32 C ATOM 0 H THR A 29 0.899 -3.526 0.682 1.00 5.23 H new ATOM 0 HA THR A 29 2.549 -5.489 2.103 1.00 52.35 H new ATOM 0 HB THR A 29 1.998 -3.840 3.814 1.00 63.13 H new ATOM 0 HG1 THR A 29 0.559 -5.365 5.127 1.00 32.22 H new ATOM 0 HG21 THR A 29 -0.347 -3.405 4.453 1.00 41.32 H new ATOM 0 HG22 THR A 29 0.005 -2.848 2.800 1.00 41.32 H new ATOM 0 HG23 THR A 29 -0.896 -4.362 3.056 1.00 41.32 H new ATOM 475 N ASN A 30 0.412 -7.082 2.117 1.00 0.21 N ATOM 476 CA ASN A 30 -0.558 -8.088 1.704 1.00 40.30 C ATOM 477 C ASN A 30 -1.577 -8.314 2.811 1.00 52.24 C ATOM 478 O ASN A 30 -2.389 -9.237 2.755 1.00 13.21 O ATOM 479 CB ASN A 30 0.151 -9.403 1.363 1.00 34.10 C ATOM 480 CG ASN A 30 0.846 -10.027 2.561 1.00 42.04 C ATOM 481 OD1 ASN A 30 2.000 -9.712 2.859 1.00 52.40 O ATOM 482 ND2 ASN A 30 0.155 -10.923 3.251 1.00 64.33 N ATOM 0 H ASN A 30 0.976 -7.350 2.924 1.00 0.21 H new ATOM 0 HA ASN A 30 -1.076 -7.731 0.814 1.00 40.30 H new ATOM 0 HB2 ASN A 30 -0.577 -10.109 0.963 1.00 34.10 H new ATOM 0 HB3 ASN A 30 0.885 -9.221 0.577 1.00 34.10 H new ATOM 0 HD21 ASN A 30 0.576 -11.379 4.060 1.00 64.33 H new ATOM 0 HD22 ASN A 30 -0.798 -11.157 2.973 1.00 64.33 H new ATOM 489 N ASP A 31 -1.528 -7.454 3.816 1.00 24.33 N ATOM 490 CA ASP A 31 -2.381 -7.595 4.990 1.00 71.35 C ATOM 491 C ASP A 31 -3.330 -6.409 5.130 1.00 61.24 C ATOM 492 O ASP A 31 -2.908 -5.252 5.118 1.00 14.23 O ATOM 493 CB ASP A 31 -1.519 -7.735 6.243 1.00 45.43 C ATOM 494 CG ASP A 31 -2.340 -7.731 7.512 1.00 24.10 C ATOM 495 OD1 ASP A 31 -3.031 -8.734 7.785 1.00 4.54 O ATOM 496 OD2 ASP A 31 -2.288 -6.728 8.244 1.00 32.42 O ATOM 0 H ASP A 31 -0.905 -6.647 3.844 1.00 24.33 H new ATOM 0 HA ASP A 31 -2.986 -8.493 4.867 1.00 71.35 H new ATOM 0 HB2 ASP A 31 -0.948 -8.662 6.186 1.00 45.43 H new ATOM 0 HB3 ASP A 31 -0.798 -6.918 6.278 1.00 45.43 H new ATOM 501 N ALA A 32 -4.616 -6.711 5.280 1.00 15.54 N ATOM 502 CA ALA A 32 -5.647 -5.681 5.347 1.00 52.20 C ATOM 503 C ALA A 32 -5.685 -5.009 6.716 1.00 54.41 C ATOM 504 O ALA A 32 -6.184 -3.890 6.853 1.00 5.40 O ATOM 505 CB ALA A 32 -7.007 -6.270 5.005 1.00 32.23 C ATOM 0 H ALA A 32 -4.970 -7.664 5.358 1.00 15.54 H new ATOM 0 HA ALA A 32 -5.398 -4.915 4.612 1.00 52.20 H new ATOM 0 HB1 ALA A 32 -7.766 -5.489 5.059 1.00 32.23 H new ATOM 0 HB2 ALA A 32 -6.982 -6.682 3.996 1.00 32.23 H new ATOM 0 HB3 ALA A 32 -7.249 -7.062 5.714 1.00 32.23 H new ATOM 511 N VAL A 33 -5.150 -5.686 7.724 1.00 10.04 N ATOM 512 CA VAL A 33 -5.122 -5.137 9.072 1.00 65.04 C ATOM 513 C VAL A 33 -4.157 -3.959 9.131 1.00 32.24 C ATOM 514 O VAL A 33 -4.500 -2.876 9.614 1.00 64.43 O ATOM 515 CB VAL A 33 -4.708 -6.201 10.111 1.00 0.15 C ATOM 516 CG1 VAL A 33 -4.769 -5.636 11.522 1.00 43.01 C ATOM 517 CG2 VAL A 33 -5.584 -7.440 9.989 1.00 24.25 C ATOM 0 H VAL A 33 -4.732 -6.612 7.634 1.00 10.04 H new ATOM 0 HA VAL A 33 -6.130 -4.802 9.317 1.00 65.04 H new ATOM 0 HB VAL A 33 -3.677 -6.489 9.907 1.00 0.15 H new ATOM 0 HG11 VAL A 33 -4.473 -6.405 12.235 1.00 43.01 H new ATOM 0 HG12 VAL A 33 -4.092 -4.786 11.603 1.00 43.01 H new ATOM 0 HG13 VAL A 33 -5.786 -5.311 11.740 1.00 43.01 H new ATOM 0 HG21 VAL A 33 -5.276 -8.178 10.730 1.00 24.25 H new ATOM 0 HG22 VAL A 33 -6.626 -7.167 10.159 1.00 24.25 H new ATOM 0 HG23 VAL A 33 -5.479 -7.863 8.990 1.00 24.25 H new ATOM 527 N LEU A 34 -2.957 -4.175 8.615 1.00 12.41 N ATOM 528 CA LEU A 34 -1.948 -3.125 8.531 1.00 33.45 C ATOM 529 C LEU A 34 -2.454 -1.975 7.665 1.00 63.34 C ATOM 530 O LEU A 34 -2.204 -0.804 7.959 1.00 13.50 O ATOM 531 CB LEU A 34 -0.647 -3.687 7.950 1.00 11.33 C ATOM 532 CG LEU A 34 0.529 -2.708 7.916 1.00 61.33 C ATOM 533 CD1 LEU A 34 0.899 -2.271 9.325 1.00 63.13 C ATOM 534 CD2 LEU A 34 1.729 -3.341 7.225 1.00 52.25 C ATOM 0 H LEU A 34 -2.654 -5.076 8.244 1.00 12.41 H new ATOM 0 HA LEU A 34 -1.752 -2.749 9.535 1.00 33.45 H new ATOM 0 HB2 LEU A 34 -0.355 -4.560 8.533 1.00 11.33 H new ATOM 0 HB3 LEU A 34 -0.841 -4.032 6.934 1.00 11.33 H new ATOM 0 HG LEU A 34 0.227 -1.827 7.349 1.00 61.33 H new ATOM 0 HD11 LEU A 34 1.737 -1.575 9.282 1.00 63.13 H new ATOM 0 HD12 LEU A 34 0.044 -1.781 9.790 1.00 63.13 H new ATOM 0 HD13 LEU A 34 1.182 -3.143 9.914 1.00 63.13 H new ATOM 0 HD21 LEU A 34 2.556 -2.631 7.210 1.00 52.25 H new ATOM 0 HD22 LEU A 34 2.030 -4.237 7.767 1.00 52.25 H new ATOM 0 HD23 LEU A 34 1.461 -3.608 6.203 1.00 52.25 H new ATOM 546 N LEU A 35 -3.180 -2.320 6.603 1.00 41.33 N ATOM 547 CA LEU A 35 -3.778 -1.322 5.719 1.00 53.10 C ATOM 548 C LEU A 35 -4.731 -0.414 6.484 1.00 11.40 C ATOM 549 O LEU A 35 -4.826 0.777 6.200 1.00 13.11 O ATOM 550 CB LEU A 35 -4.524 -2.004 4.570 1.00 55.22 C ATOM 551 CG LEU A 35 -3.640 -2.668 3.517 1.00 61.30 C ATOM 552 CD1 LEU A 35 -4.484 -3.520 2.584 1.00 52.54 C ATOM 553 CD2 LEU A 35 -2.881 -1.612 2.730 1.00 13.43 C ATOM 0 H LEU A 35 -3.368 -3.286 6.334 1.00 41.33 H new ATOM 0 HA LEU A 35 -2.972 -0.713 5.311 1.00 53.10 H new ATOM 0 HB2 LEU A 35 -5.190 -2.759 4.989 1.00 55.22 H new ATOM 0 HB3 LEU A 35 -5.153 -1.263 4.077 1.00 55.22 H new ATOM 0 HG LEU A 35 -2.919 -3.314 4.019 1.00 61.30 H new ATOM 0 HD11 LEU A 35 -3.842 -3.988 1.838 1.00 52.54 H new ATOM 0 HD12 LEU A 35 -4.995 -4.292 3.159 1.00 52.54 H new ATOM 0 HD13 LEU A 35 -5.222 -2.892 2.085 1.00 52.54 H new ATOM 0 HD21 LEU A 35 -2.254 -2.097 1.982 1.00 13.43 H new ATOM 0 HD22 LEU A 35 -3.590 -0.948 2.235 1.00 13.43 H new ATOM 0 HD23 LEU A 35 -2.255 -1.033 3.408 1.00 13.43 H new ATOM 565 N SER A 36 -5.424 -0.978 7.463 1.00 15.14 N ATOM 566 CA SER A 36 -6.357 -0.213 8.273 1.00 42.11 C ATOM 567 C SER A 36 -5.605 0.763 9.174 1.00 62.21 C ATOM 568 O SER A 36 -5.993 1.922 9.308 1.00 63.11 O ATOM 569 CB SER A 36 -7.227 -1.155 9.109 1.00 71.21 C ATOM 570 OG SER A 36 -7.944 -2.058 8.276 1.00 34.42 O ATOM 0 H SER A 36 -5.357 -1.964 7.715 1.00 15.14 H new ATOM 0 HA SER A 36 -7.005 0.362 7.611 1.00 42.11 H new ATOM 0 HB2 SER A 36 -6.600 -1.714 9.804 1.00 71.21 H new ATOM 0 HB3 SER A 36 -7.927 -0.573 9.709 1.00 71.21 H new ATOM 0 HG SER A 36 -7.313 -2.652 7.818 1.00 34.42 H new ATOM 576 N ALA A 37 -4.514 0.292 9.767 1.00 1.33 N ATOM 577 CA ALA A 37 -3.696 1.123 10.641 1.00 51.30 C ATOM 578 C ALA A 37 -3.037 2.254 9.861 1.00 61.11 C ATOM 579 O ALA A 37 -3.166 3.425 10.219 1.00 63.44 O ATOM 580 CB ALA A 37 -2.645 0.277 11.337 1.00 60.43 C ATOM 0 H ALA A 37 -4.175 -0.664 9.658 1.00 1.33 H new ATOM 0 HA ALA A 37 -4.346 1.568 11.395 1.00 51.30 H new ATOM 0 HB1 ALA A 37 -2.041 0.910 11.987 1.00 60.43 H new ATOM 0 HB2 ALA A 37 -3.134 -0.493 11.933 1.00 60.43 H new ATOM 0 HB3 ALA A 37 -2.004 -0.194 10.591 1.00 60.43 H new ATOM 586 N VAL A 38 -2.340 1.898 8.786 1.00 23.44 N ATOM 587 CA VAL A 38 -1.672 2.883 7.939 1.00 32.44 C ATOM 588 C VAL A 38 -2.690 3.845 7.328 1.00 74.23 C ATOM 589 O VAL A 38 -2.459 5.056 7.253 1.00 44.32 O ATOM 590 CB VAL A 38 -0.863 2.201 6.810 1.00 73.13 C ATOM 591 CG1 VAL A 38 -0.240 3.232 5.882 1.00 53.34 C ATOM 592 CG2 VAL A 38 0.211 1.296 7.399 1.00 52.11 C ATOM 0 H VAL A 38 -2.222 0.932 8.480 1.00 23.44 H new ATOM 0 HA VAL A 38 -0.981 3.441 8.571 1.00 32.44 H new ATOM 0 HB VAL A 38 -1.550 1.592 6.223 1.00 73.13 H new ATOM 0 HG11 VAL A 38 0.322 2.724 5.099 1.00 53.34 H new ATOM 0 HG12 VAL A 38 -1.026 3.837 5.430 1.00 53.34 H new ATOM 0 HG13 VAL A 38 0.431 3.875 6.451 1.00 53.34 H new ATOM 0 HG21 VAL A 38 0.771 0.824 6.592 1.00 52.11 H new ATOM 0 HG22 VAL A 38 0.889 1.888 8.013 1.00 52.11 H new ATOM 0 HG23 VAL A 38 -0.258 0.527 8.014 1.00 52.11 H new ATOM 602 N GLY A 39 -3.823 3.295 6.912 1.00 11.33 N ATOM 603 CA GLY A 39 -4.883 4.103 6.349 1.00 1.24 C ATOM 604 C GLY A 39 -5.392 5.134 7.332 1.00 73.21 C ATOM 605 O GLY A 39 -5.488 6.311 6.998 1.00 0.31 O ATOM 0 H GLY A 39 -4.026 2.296 6.956 1.00 11.33 H new ATOM 0 HA2 GLY A 39 -4.519 4.605 5.453 1.00 1.24 H new ATOM 0 HA3 GLY A 39 -5.706 3.458 6.041 1.00 1.24 H new ATOM 609 N ALA A 40 -5.679 4.698 8.554 1.00 62.44 N ATOM 610 CA ALA A 40 -6.193 5.586 9.592 1.00 33.42 C ATOM 611 C ALA A 40 -5.177 6.666 9.956 1.00 60.32 C ATOM 612 O ALA A 40 -5.546 7.763 10.376 1.00 1.41 O ATOM 613 CB ALA A 40 -6.578 4.786 10.827 1.00 50.32 C ATOM 0 H ALA A 40 -5.564 3.729 8.852 1.00 62.44 H new ATOM 0 HA ALA A 40 -7.080 6.082 9.198 1.00 33.42 H new ATOM 0 HB1 ALA A 40 -6.960 5.461 11.593 1.00 50.32 H new ATOM 0 HB2 ALA A 40 -7.349 4.061 10.565 1.00 50.32 H new ATOM 0 HB3 ALA A 40 -5.702 4.262 11.209 1.00 50.32 H new ATOM 619 N LEU A 41 -3.897 6.353 9.795 1.00 45.22 N ATOM 620 CA LEU A 41 -2.837 7.317 10.066 1.00 72.05 C ATOM 621 C LEU A 41 -2.884 8.458 9.063 1.00 23.13 C ATOM 622 O LEU A 41 -2.915 9.626 9.439 1.00 10.03 O ATOM 623 CB LEU A 41 -1.459 6.650 10.010 1.00 64.44 C ATOM 624 CG LEU A 41 -1.173 5.624 11.110 1.00 4.25 C ATOM 625 CD1 LEU A 41 0.204 5.007 10.913 1.00 32.31 C ATOM 626 CD2 LEU A 41 -1.273 6.273 12.482 1.00 13.30 C ATOM 0 H LEU A 41 -3.568 5.441 9.479 1.00 45.22 H new ATOM 0 HA LEU A 41 -2.998 7.710 11.070 1.00 72.05 H new ATOM 0 HB2 LEU A 41 -1.353 6.158 9.043 1.00 64.44 H new ATOM 0 HB3 LEU A 41 -0.697 7.428 10.057 1.00 64.44 H new ATOM 0 HG LEU A 41 -1.920 4.833 11.048 1.00 4.25 H new ATOM 0 HD11 LEU A 41 0.393 4.280 11.703 1.00 32.31 H new ATOM 0 HD12 LEU A 41 0.245 4.510 9.944 1.00 32.31 H new ATOM 0 HD13 LEU A 41 0.962 5.789 10.951 1.00 32.31 H new ATOM 0 HD21 LEU A 41 -1.067 5.530 13.252 1.00 13.30 H new ATOM 0 HD22 LEU A 41 -0.547 7.082 12.555 1.00 13.30 H new ATOM 0 HD23 LEU A 41 -2.277 6.673 12.623 1.00 13.30 H new ATOM 638 N LEU A 42 -2.910 8.107 7.785 1.00 74.21 N ATOM 639 CA LEU A 42 -2.905 9.101 6.719 1.00 43.41 C ATOM 640 C LEU A 42 -4.252 9.811 6.639 1.00 75.12 C ATOM 641 O LEU A 42 -4.317 11.021 6.427 1.00 4.11 O ATOM 642 CB LEU A 42 -2.589 8.439 5.376 1.00 63.22 C ATOM 643 CG LEU A 42 -1.267 7.669 5.320 1.00 32.43 C ATOM 644 CD1 LEU A 42 -1.093 7.015 3.959 1.00 14.34 C ATOM 645 CD2 LEU A 42 -0.092 8.585 5.623 1.00 13.31 C ATOM 0 H LEU A 42 -2.935 7.140 7.460 1.00 74.21 H new ATOM 0 HA LEU A 42 -2.133 9.837 6.944 1.00 43.41 H new ATOM 0 HB2 LEU A 42 -3.400 7.754 5.128 1.00 63.22 H new ATOM 0 HB3 LEU A 42 -2.575 9.209 4.605 1.00 63.22 H new ATOM 0 HG LEU A 42 -1.294 6.890 6.081 1.00 32.43 H new ATOM 0 HD11 LEU A 42 -0.149 6.471 3.935 1.00 14.34 H new ATOM 0 HD12 LEU A 42 -1.915 6.322 3.780 1.00 14.34 H new ATOM 0 HD13 LEU A 42 -1.090 7.782 3.184 1.00 14.34 H new ATOM 0 HD21 LEU A 42 0.836 8.014 5.577 1.00 13.31 H new ATOM 0 HD22 LEU A 42 -0.060 9.390 4.889 1.00 13.31 H new ATOM 0 HD23 LEU A 42 -0.208 9.008 6.621 1.00 13.31 H new ATOM 657 N ASP A 43 -5.313 9.042 6.829 1.00 52.45 N ATOM 658 CA ASP A 43 -6.677 9.556 6.764 1.00 53.40 C ATOM 659 C ASP A 43 -6.944 10.522 7.915 1.00 0.33 C ATOM 660 O ASP A 43 -7.554 11.575 7.733 1.00 30.13 O ATOM 661 CB ASP A 43 -7.662 8.387 6.811 1.00 73.23 C ATOM 662 CG ASP A 43 -9.109 8.821 6.712 1.00 71.21 C ATOM 663 OD1 ASP A 43 -9.574 9.100 5.585 1.00 10.10 O ATOM 664 OD2 ASP A 43 -9.798 8.844 7.750 1.00 51.55 O ATOM 0 H ASP A 43 -5.255 8.044 7.033 1.00 52.45 H new ATOM 0 HA ASP A 43 -6.808 10.101 5.829 1.00 53.40 H new ATOM 0 HB2 ASP A 43 -7.439 7.700 5.995 1.00 73.23 H new ATOM 0 HB3 ASP A 43 -7.518 7.836 7.740 1.00 73.23 H new ATOM 669 N GLY A 44 -6.456 10.169 9.095 1.00 62.55 N ATOM 670 CA GLY A 44 -6.651 11.013 10.257 1.00 42.42 C ATOM 671 C GLY A 44 -5.681 12.177 10.308 1.00 12.50 C ATOM 672 O GLY A 44 -5.850 13.097 11.108 1.00 0.34 O ATOM 0 H GLY A 44 -5.929 9.314 9.269 1.00 62.55 H new ATOM 0 HA2 GLY A 44 -7.671 11.396 10.255 1.00 42.42 H new ATOM 0 HA3 GLY A 44 -6.538 10.412 11.160 1.00 42.42 H new ATOM 676 N ALA A 45 -4.661 12.142 9.461 1.00 23.30 N ATOM 677 CA ALA A 45 -3.659 13.200 9.430 1.00 42.40 C ATOM 678 C ALA A 45 -3.882 14.136 8.250 1.00 51.31 C ATOM 679 O ALA A 45 -3.079 15.039 8.014 1.00 12.33 O ATOM 680 CB ALA A 45 -2.261 12.607 9.368 1.00 61.24 C ATOM 0 H ALA A 45 -4.505 11.393 8.786 1.00 23.30 H new ATOM 0 HA ALA A 45 -3.758 13.779 10.348 1.00 42.40 H new ATOM 0 HB1 ALA A 45 -1.525 13.411 9.345 1.00 61.24 H new ATOM 0 HB2 ALA A 45 -2.091 11.984 10.246 1.00 61.24 H new ATOM 0 HB3 ALA A 45 -2.163 12.000 8.468 1.00 61.24 H new ATOM 686 N ASP A 46 -4.968 13.906 7.510 1.00 55.04 N ATOM 687 CA ASP A 46 -5.325 14.748 6.362 1.00 44.14 C ATOM 688 C ASP A 46 -4.245 14.664 5.275 1.00 45.13 C ATOM 689 O ASP A 46 -3.995 15.617 4.537 1.00 42.11 O ATOM 690 CB ASP A 46 -5.538 16.201 6.822 1.00 71.53 C ATOM 691 CG ASP A 46 -6.073 17.116 5.735 1.00 44.52 C ATOM 692 OD1 ASP A 46 -7.120 16.792 5.135 1.00 32.51 O ATOM 693 OD2 ASP A 46 -5.456 18.176 5.488 1.00 64.10 O ATOM 0 H ASP A 46 -5.619 13.141 7.685 1.00 55.04 H new ATOM 0 HA ASP A 46 -6.258 14.384 5.932 1.00 44.14 H new ATOM 0 HB2 ASP A 46 -6.231 16.208 7.663 1.00 71.53 H new ATOM 0 HB3 ASP A 46 -4.591 16.600 7.186 1.00 71.53 H new ATOM 698 N ILE A 47 -3.618 13.501 5.171 1.00 43.10 N ATOM 699 CA ILE A 47 -2.580 13.274 4.174 1.00 15.13 C ATOM 700 C ILE A 47 -3.181 12.658 2.915 1.00 4.11 C ATOM 701 O ILE A 47 -3.917 11.666 2.986 1.00 14.11 O ATOM 702 CB ILE A 47 -1.461 12.361 4.728 1.00 3.33 C ATOM 703 CG1 ILE A 47 -0.769 13.045 5.911 1.00 42.30 C ATOM 704 CG2 ILE A 47 -0.452 12.018 3.640 1.00 4.23 C ATOM 705 CD1 ILE A 47 0.338 12.224 6.538 1.00 63.12 C ATOM 0 H ILE A 47 -3.811 12.696 5.767 1.00 43.10 H new ATOM 0 HA ILE A 47 -2.139 14.239 3.924 1.00 15.13 H new ATOM 0 HB ILE A 47 -1.910 11.429 5.073 1.00 3.33 H new ATOM 0 HG12 ILE A 47 -0.356 13.996 5.576 1.00 42.30 H new ATOM 0 HG13 ILE A 47 -1.515 13.272 6.673 1.00 42.30 H new ATOM 0 HG21 ILE A 47 0.325 11.375 4.054 1.00 4.23 H new ATOM 0 HG22 ILE A 47 -0.957 11.498 2.826 1.00 4.23 H new ATOM 0 HG23 ILE A 47 -0.001 12.935 3.260 1.00 4.23 H new ATOM 0 HD11 ILE A 47 0.777 12.778 7.368 1.00 63.12 H new ATOM 0 HD12 ILE A 47 -0.071 11.283 6.906 1.00 63.12 H new ATOM 0 HD13 ILE A 47 1.106 12.019 5.792 1.00 63.12 H new ATOM 717 N GLY A 48 -2.857 13.247 1.768 1.00 62.32 N ATOM 718 CA GLY A 48 -3.415 12.797 0.511 1.00 0.41 C ATOM 719 C GLY A 48 -2.839 11.468 0.074 1.00 32.32 C ATOM 720 O GLY A 48 -1.638 11.356 -0.177 1.00 31.01 O ATOM 0 H GLY A 48 -2.213 14.034 1.690 1.00 62.32 H new ATOM 0 HA2 GLY A 48 -4.497 12.708 0.607 1.00 0.41 H new ATOM 0 HA3 GLY A 48 -3.223 13.545 -0.258 1.00 0.41 H new ATOM 724 N HIS A 49 -3.700 10.467 -0.033 1.00 25.13 N ATOM 725 CA HIS A 49 -3.268 9.116 -0.350 1.00 21.45 C ATOM 726 C HIS A 49 -4.233 8.450 -1.328 1.00 44.34 C ATOM 727 O HIS A 49 -5.449 8.633 -1.246 1.00 24.44 O ATOM 728 CB HIS A 49 -3.132 8.278 0.933 1.00 4.50 C ATOM 729 CG HIS A 49 -4.403 8.124 1.712 1.00 2.03 C ATOM 730 ND1 HIS A 49 -4.914 9.112 2.531 1.00 40.21 N ATOM 731 CD2 HIS A 49 -5.260 7.081 1.803 1.00 23.43 C ATOM 732 CE1 HIS A 49 -6.032 8.681 3.086 1.00 34.50 C ATOM 733 NE2 HIS A 49 -6.260 7.455 2.659 1.00 10.42 N ATOM 0 H HIS A 49 -4.707 10.567 0.096 1.00 25.13 H new ATOM 0 HA HIS A 49 -2.290 9.176 -0.828 1.00 21.45 H new ATOM 0 HB2 HIS A 49 -2.761 7.288 0.668 1.00 4.50 H new ATOM 0 HB3 HIS A 49 -2.381 8.738 1.575 1.00 4.50 H new ATOM 0 HD1 HIS A 49 -4.494 10.029 2.683 1.00 40.21 H new ATOM 0 HD2 HIS A 49 -5.172 6.132 1.296 1.00 23.43 H new ATOM 0 HE1 HIS A 49 -6.653 9.238 3.772 1.00 34.50 H new ATOM 742 N LEU A 50 -3.684 7.671 -2.242 1.00 63.42 N ATOM 743 CA LEU A 50 -4.465 7.037 -3.287 1.00 14.21 C ATOM 744 C LEU A 50 -4.478 5.524 -3.111 1.00 3.12 C ATOM 745 O LEU A 50 -3.435 4.864 -3.173 1.00 73.23 O ATOM 746 CB LEU A 50 -3.891 7.397 -4.662 1.00 42.32 C ATOM 747 CG LEU A 50 -4.666 6.839 -5.856 1.00 51.10 C ATOM 748 CD1 LEU A 50 -6.070 7.421 -5.898 1.00 23.30 C ATOM 749 CD2 LEU A 50 -3.929 7.133 -7.150 1.00 24.31 C ATOM 0 H LEU A 50 -2.687 7.461 -2.281 1.00 63.42 H new ATOM 0 HA LEU A 50 -5.490 7.401 -3.218 1.00 14.21 H new ATOM 0 HB2 LEU A 50 -3.853 8.483 -4.749 1.00 42.32 H new ATOM 0 HB3 LEU A 50 -2.864 7.036 -4.715 1.00 42.32 H new ATOM 0 HG LEU A 50 -4.745 5.758 -5.742 1.00 51.10 H new ATOM 0 HD11 LEU A 50 -6.608 7.013 -6.754 1.00 23.30 H new ATOM 0 HD12 LEU A 50 -6.599 7.162 -4.981 1.00 23.30 H new ATOM 0 HD13 LEU A 50 -6.012 8.506 -5.990 1.00 23.30 H new ATOM 0 HD21 LEU A 50 -4.494 6.729 -7.990 1.00 24.31 H new ATOM 0 HD22 LEU A 50 -3.821 8.211 -7.270 1.00 24.31 H new ATOM 0 HD23 LEU A 50 -2.943 6.670 -7.120 1.00 24.31 H new ATOM 761 N VAL A 51 -5.662 4.988 -2.858 1.00 73.42 N ATOM 762 CA VAL A 51 -5.867 3.548 -2.795 1.00 63.22 C ATOM 763 C VAL A 51 -7.090 3.165 -3.621 1.00 60.42 C ATOM 764 O VAL A 51 -8.114 3.844 -3.573 1.00 23.45 O ATOM 765 CB VAL A 51 -6.046 3.040 -1.344 1.00 45.11 C ATOM 766 CG1 VAL A 51 -4.738 3.134 -0.575 1.00 13.13 C ATOM 767 CG2 VAL A 51 -7.145 3.812 -0.625 1.00 40.42 C ATOM 0 H VAL A 51 -6.506 5.536 -2.691 1.00 73.42 H new ATOM 0 HA VAL A 51 -4.972 3.076 -3.201 1.00 63.22 H new ATOM 0 HB VAL A 51 -6.343 1.992 -1.391 1.00 45.11 H new ATOM 0 HG11 VAL A 51 -4.887 2.772 0.442 1.00 13.13 H new ATOM 0 HG12 VAL A 51 -3.981 2.526 -1.069 1.00 13.13 H new ATOM 0 HG13 VAL A 51 -4.407 4.172 -0.546 1.00 13.13 H new ATOM 0 HG21 VAL A 51 -7.249 3.434 0.392 1.00 40.42 H new ATOM 0 HG22 VAL A 51 -6.886 4.870 -0.594 1.00 40.42 H new ATOM 0 HG23 VAL A 51 -8.087 3.685 -1.158 1.00 40.42 H new ATOM 999 N PRO A 67 -2.928 -7.999 -1.993 1.00 60.41 N ATOM 1000 CA PRO A 67 -1.716 -7.211 -1.790 1.00 51.43 C ATOM 1001 C PRO A 67 -1.927 -5.756 -2.202 1.00 74.50 C ATOM 1002 O PRO A 67 -1.662 -5.374 -3.346 1.00 11.33 O ATOM 1003 CB PRO A 67 -0.669 -7.882 -2.692 1.00 30.44 C ATOM 1004 CG PRO A 67 -1.295 -9.160 -3.151 1.00 21.42 C ATOM 1005 CD PRO A 67 -2.778 -8.931 -3.114 1.00 72.40 C ATOM 0 HA PRO A 67 -1.414 -7.186 -0.743 1.00 51.43 H new ATOM 0 HB2 PRO A 67 -0.414 -7.244 -3.538 1.00 30.44 H new ATOM 0 HB3 PRO A 67 0.255 -8.072 -2.146 1.00 30.44 H new ATOM 0 HG2 PRO A 67 -0.965 -9.417 -4.158 1.00 21.42 H new ATOM 0 HG3 PRO A 67 -1.012 -9.988 -2.502 1.00 21.42 H new ATOM 0 HD2 PRO A 67 -3.146 -8.505 -4.047 1.00 72.40 H new ATOM 0 HD3 PRO A 67 -3.328 -9.858 -2.948 1.00 72.40 H new ATOM 1013 N ARG A 68 -2.436 -4.962 -1.273 1.00 0.44 N ATOM 1014 CA ARG A 68 -2.776 -3.580 -1.547 1.00 73.14 C ATOM 1015 C ARG A 68 -1.627 -2.654 -1.179 1.00 43.32 C ATOM 1016 O ARG A 68 -1.001 -2.791 -0.126 1.00 5.43 O ATOM 1017 CB ARG A 68 -4.051 -3.197 -0.786 1.00 75.31 C ATOM 1018 CG ARG A 68 -4.498 -1.750 -0.972 1.00 34.11 C ATOM 1019 CD ARG A 68 -4.584 -1.364 -2.439 1.00 13.04 C ATOM 1020 NE ARG A 68 -5.268 -2.377 -3.235 1.00 24.23 N ATOM 1021 CZ ARG A 68 -5.086 -2.545 -4.542 1.00 35.03 C ATOM 1022 NH1 ARG A 68 -4.299 -1.716 -5.221 1.00 51.25 N ATOM 1023 NH2 ARG A 68 -5.702 -3.536 -5.168 1.00 43.42 N ATOM 0 H ARG A 68 -2.623 -5.257 -0.315 1.00 0.44 H new ATOM 0 HA ARG A 68 -2.959 -3.471 -2.616 1.00 73.14 H new ATOM 0 HB2 ARG A 68 -4.859 -3.856 -1.105 1.00 75.31 H new ATOM 0 HB3 ARG A 68 -3.891 -3.379 0.277 1.00 75.31 H new ATOM 0 HG2 ARG A 68 -5.471 -1.608 -0.502 1.00 34.11 H new ATOM 0 HG3 ARG A 68 -3.799 -1.086 -0.463 1.00 34.11 H new ATOM 0 HD2 ARG A 68 -5.110 -0.414 -2.533 1.00 13.04 H new ATOM 0 HD3 ARG A 68 -3.579 -1.212 -2.833 1.00 13.04 H new ATOM 0 HE ARG A 68 -5.926 -2.995 -2.760 1.00 24.23 H new ATOM 0 HH11 ARG A 68 -3.832 -0.947 -4.740 1.00 51.25 H new ATOM 0 HH12 ARG A 68 -4.162 -1.849 -6.223 1.00 51.25 H new ATOM 0 HH21 ARG A 68 -6.313 -4.166 -4.648 1.00 43.42 H new ATOM 0 HH22 ARG A 68 -5.566 -3.669 -6.170 1.00 43.42 H new ATOM 1037 N ARG A 69 -1.349 -1.717 -2.065 1.00 1.34 N ATOM 1038 CA ARG A 69 -0.300 -0.746 -1.844 1.00 14.35 C ATOM 1039 C ARG A 69 -0.882 0.658 -1.828 1.00 44.24 C ATOM 1040 O ARG A 69 -1.851 0.947 -2.533 1.00 61.31 O ATOM 1041 CB ARG A 69 0.788 -0.878 -2.914 1.00 34.33 C ATOM 1042 CG ARG A 69 0.253 -0.931 -4.334 1.00 23.24 C ATOM 1043 CD ARG A 69 1.374 -1.183 -5.329 1.00 42.44 C ATOM 1044 NE ARG A 69 0.885 -1.313 -6.702 1.00 41.01 N ATOM 1045 CZ ARG A 69 1.566 -0.915 -7.775 1.00 62.21 C ATOM 1046 NH1 ARG A 69 2.752 -0.339 -7.639 1.00 1.31 N ATOM 1047 NH2 ARG A 69 1.056 -1.091 -8.987 1.00 51.03 N ATOM 0 H ARG A 69 -1.841 -1.609 -2.952 1.00 1.34 H new ATOM 0 HA ARG A 69 0.159 -0.938 -0.874 1.00 14.35 H new ATOM 0 HB2 ARG A 69 1.474 -0.036 -2.826 1.00 34.33 H new ATOM 0 HB3 ARG A 69 1.366 -1.781 -2.720 1.00 34.33 H new ATOM 0 HG2 ARG A 69 -0.495 -1.720 -4.416 1.00 23.24 H new ATOM 0 HG3 ARG A 69 -0.247 0.008 -4.574 1.00 23.24 H new ATOM 0 HD2 ARG A 69 2.092 -0.364 -5.278 1.00 42.44 H new ATOM 0 HD3 ARG A 69 1.907 -2.092 -5.049 1.00 42.44 H new ATOM 0 HE ARG A 69 -0.033 -1.734 -6.846 1.00 41.01 H new ATOM 0 HH11 ARG A 69 3.147 -0.199 -6.709 1.00 1.31 H new ATOM 0 HH12 ARG A 69 3.269 -0.036 -8.464 1.00 1.31 H new ATOM 0 HH21 ARG A 69 0.142 -1.531 -9.097 1.00 51.03 H new ATOM 0 HH22 ARG A 69 1.577 -0.786 -9.809 1.00 51.03 H new ATOM 1061 N VAL A 70 -0.298 1.515 -1.008 1.00 34.00 N ATOM 1062 CA VAL A 70 -0.788 2.875 -0.843 1.00 52.44 C ATOM 1063 C VAL A 70 0.130 3.852 -1.561 1.00 2.42 C ATOM 1064 O VAL A 70 1.331 3.882 -1.302 1.00 10.32 O ATOM 1065 CB VAL A 70 -0.872 3.271 0.649 1.00 61.23 C ATOM 1066 CG1 VAL A 70 -1.496 4.645 0.812 1.00 4.34 C ATOM 1067 CG2 VAL A 70 -1.644 2.228 1.443 1.00 60.32 C ATOM 0 H VAL A 70 0.521 1.292 -0.442 1.00 34.00 H new ATOM 0 HA VAL A 70 -1.789 2.916 -1.272 1.00 52.44 H new ATOM 0 HB VAL A 70 0.143 3.314 1.043 1.00 61.23 H new ATOM 0 HG11 VAL A 70 -1.544 4.900 1.871 1.00 4.34 H new ATOM 0 HG12 VAL A 70 -0.890 5.384 0.288 1.00 4.34 H new ATOM 0 HG13 VAL A 70 -2.503 4.639 0.395 1.00 4.34 H new ATOM 0 HG21 VAL A 70 -1.690 2.528 2.490 1.00 60.32 H new ATOM 0 HG22 VAL A 70 -2.655 2.143 1.045 1.00 60.32 H new ATOM 0 HG23 VAL A 70 -1.141 1.264 1.364 1.00 60.32 H new ATOM 1077 N LEU A 71 -0.430 4.629 -2.470 1.00 44.41 N ATOM 1078 CA LEU A 71 0.325 5.667 -3.149 1.00 13.12 C ATOM 1079 C LEU A 71 -0.047 7.023 -2.570 1.00 40.53 C ATOM 1080 O LEU A 71 -1.124 7.184 -2.001 1.00 14.12 O ATOM 1081 CB LEU A 71 0.073 5.637 -4.663 1.00 0.32 C ATOM 1082 CG LEU A 71 0.817 4.540 -5.436 1.00 20.42 C ATOM 1083 CD1 LEU A 71 0.286 3.158 -5.086 1.00 75.14 C ATOM 1084 CD2 LEU A 71 0.723 4.788 -6.933 1.00 42.41 C ATOM 0 H LEU A 71 -1.407 4.561 -2.756 1.00 44.41 H new ATOM 0 HA LEU A 71 1.388 5.487 -2.991 1.00 13.12 H new ATOM 0 HB2 LEU A 71 -0.997 5.515 -4.833 1.00 0.32 H new ATOM 0 HB3 LEU A 71 0.354 6.604 -5.079 1.00 0.32 H new ATOM 0 HG LEU A 71 1.866 4.576 -5.142 1.00 20.42 H new ATOM 0 HD11 LEU A 71 0.834 2.404 -5.651 1.00 75.14 H new ATOM 0 HD12 LEU A 71 0.416 2.978 -4.019 1.00 75.14 H new ATOM 0 HD13 LEU A 71 -0.773 3.101 -5.337 1.00 75.14 H new ATOM 0 HD21 LEU A 71 1.256 4.001 -7.466 1.00 42.41 H new ATOM 0 HD22 LEU A 71 -0.324 4.788 -7.237 1.00 42.41 H new ATOM 0 HD23 LEU A 71 1.169 5.754 -7.171 1.00 42.41 H new ATOM 1096 N VAL A 72 0.852 7.980 -2.688 1.00 1.43 N ATOM 1097 CA VAL A 72 0.626 9.319 -2.168 1.00 11.30 C ATOM 1098 C VAL A 72 1.111 10.365 -3.165 1.00 14.24 C ATOM 1099 O VAL A 72 1.791 10.039 -4.141 1.00 54.13 O ATOM 1100 CB VAL A 72 1.338 9.537 -0.812 1.00 62.13 C ATOM 1101 CG1 VAL A 72 0.636 8.775 0.306 1.00 33.24 C ATOM 1102 CG2 VAL A 72 2.799 9.124 -0.903 1.00 3.24 C ATOM 0 H VAL A 72 1.756 7.855 -3.144 1.00 1.43 H new ATOM 0 HA VAL A 72 -0.447 9.427 -2.013 1.00 11.30 H new ATOM 0 HB VAL A 72 1.292 10.600 -0.576 1.00 62.13 H new ATOM 0 HG11 VAL A 72 1.158 8.947 1.247 1.00 33.24 H new ATOM 0 HG12 VAL A 72 -0.393 9.123 0.393 1.00 33.24 H new ATOM 0 HG13 VAL A 72 0.640 7.709 0.078 1.00 33.24 H new ATOM 0 HG21 VAL A 72 3.283 9.285 0.060 1.00 3.24 H new ATOM 0 HG22 VAL A 72 2.863 8.069 -1.170 1.00 3.24 H new ATOM 0 HG23 VAL A 72 3.299 9.722 -1.665 1.00 3.24 H new ATOM 1112 N HIS A 73 0.754 11.618 -2.925 1.00 51.14 N ATOM 1113 CA HIS A 73 1.228 12.708 -3.763 1.00 33.25 C ATOM 1114 C HIS A 73 2.693 12.965 -3.456 1.00 42.13 C ATOM 1115 O HIS A 73 3.181 12.584 -2.392 1.00 0.34 O ATOM 1116 CB HIS A 73 0.420 13.988 -3.526 1.00 61.02 C ATOM 1117 CG HIS A 73 -1.063 13.809 -3.631 1.00 23.02 C ATOM 1118 ND1 HIS A 73 -1.914 14.042 -2.576 1.00 73.52 N ATOM 1119 CD2 HIS A 73 -1.847 13.421 -4.666 1.00 65.05 C ATOM 1120 CE1 HIS A 73 -3.158 13.809 -2.954 1.00 44.44 C ATOM 1121 NE2 HIS A 73 -3.144 13.431 -4.216 1.00 70.43 N ATOM 0 H HIS A 73 0.141 11.904 -2.161 1.00 51.14 H new ATOM 0 HA HIS A 73 1.103 12.422 -4.807 1.00 33.25 H new ATOM 0 HB2 HIS A 73 0.658 14.376 -2.536 1.00 61.02 H new ATOM 0 HB3 HIS A 73 0.735 14.742 -4.248 1.00 61.02 H new ATOM 0 HD1 HIS A 73 -1.629 14.347 -1.646 1.00 73.52 H new ATOM 0 HD2 HIS A 73 -1.514 13.154 -5.658 1.00 65.05 H new ATOM 0 HE1 HIS A 73 -4.037 13.911 -2.334 1.00 44.44 H new ATOM 1130 N GLU A 74 3.389 13.623 -4.365 1.00 55.04 N ATOM 1131 CA GLU A 74 4.813 13.870 -4.187 1.00 2.42 C ATOM 1132 C GLU A 74 5.051 14.925 -3.109 1.00 4.51 C ATOM 1133 O GLU A 74 6.176 15.119 -2.650 1.00 13.13 O ATOM 1134 CB GLU A 74 5.449 14.274 -5.517 1.00 24.41 C ATOM 1135 CG GLU A 74 5.240 13.230 -6.600 1.00 72.41 C ATOM 1136 CD GLU A 74 6.030 13.507 -7.857 1.00 5.11 C ATOM 1137 OE1 GLU A 74 5.536 14.241 -8.734 1.00 13.43 O ATOM 1138 OE2 GLU A 74 7.146 12.968 -7.991 1.00 14.15 O ATOM 0 H GLU A 74 2.997 13.995 -5.230 1.00 55.04 H new ATOM 0 HA GLU A 74 5.289 12.949 -3.851 1.00 2.42 H new ATOM 0 HB2 GLU A 74 5.026 15.224 -5.845 1.00 24.41 H new ATOM 0 HB3 GLU A 74 6.517 14.434 -5.372 1.00 24.41 H new ATOM 0 HG2 GLU A 74 5.521 12.251 -6.211 1.00 72.41 H new ATOM 0 HG3 GLU A 74 4.180 13.182 -6.849 1.00 72.41 H new ATOM 1145 N ASP A 75 3.977 15.588 -2.695 1.00 75.31 N ATOM 1146 CA ASP A 75 4.035 16.546 -1.595 1.00 13.20 C ATOM 1147 C ASP A 75 3.727 15.864 -0.270 1.00 53.12 C ATOM 1148 O ASP A 75 4.126 16.338 0.795 1.00 24.00 O ATOM 1149 CB ASP A 75 3.046 17.687 -1.818 1.00 22.40 C ATOM 1150 CG ASP A 75 3.434 18.568 -2.978 1.00 1.41 C ATOM 1151 OD1 ASP A 75 4.196 19.531 -2.762 1.00 12.43 O ATOM 1152 OD2 ASP A 75 2.975 18.310 -4.109 1.00 34.12 O ATOM 0 H ASP A 75 3.050 15.479 -3.107 1.00 75.31 H new ATOM 0 HA ASP A 75 5.046 16.951 -1.562 1.00 13.20 H new ATOM 0 HB2 ASP A 75 2.053 17.274 -1.996 1.00 22.40 H new ATOM 0 HB3 ASP A 75 2.982 18.291 -0.913 1.00 22.40 H new ATOM 1157 N ASP A 76 3.024 14.745 -0.346 1.00 45.21 N ATOM 1158 CA ASP A 76 2.624 14.001 0.845 1.00 73.32 C ATOM 1159 C ASP A 76 3.647 12.913 1.155 1.00 54.34 C ATOM 1160 O ASP A 76 3.648 12.339 2.243 1.00 42.45 O ATOM 1161 CB ASP A 76 1.237 13.366 0.648 1.00 21.14 C ATOM 1162 CG ASP A 76 0.111 14.380 0.523 1.00 30.13 C ATOM 1163 OD1 ASP A 76 -0.193 14.805 -0.615 1.00 51.15 O ATOM 1164 OD2 ASP A 76 -0.491 14.746 1.554 1.00 20.44 O ATOM 0 H ASP A 76 2.716 14.328 -1.224 1.00 45.21 H new ATOM 0 HA ASP A 76 2.576 14.698 1.682 1.00 73.32 H new ATOM 0 HB2 ASP A 76 1.256 12.745 -0.248 1.00 21.14 H new ATOM 0 HB3 ASP A 76 1.027 12.705 1.489 1.00 21.14 H new ATOM 1169 N LEU A 77 4.522 12.652 0.186 1.00 32.24 N ATOM 1170 CA LEU A 77 5.524 11.591 0.279 1.00 13.54 C ATOM 1171 C LEU A 77 6.344 11.716 1.565 1.00 13.15 C ATOM 1172 O LEU A 77 6.390 10.786 2.376 1.00 74.42 O ATOM 1173 CB LEU A 77 6.441 11.658 -0.956 1.00 22.31 C ATOM 1174 CG LEU A 77 7.107 10.345 -1.394 1.00 34.21 C ATOM 1175 CD1 LEU A 77 8.016 9.793 -0.315 1.00 53.34 C ATOM 1176 CD2 LEU A 77 6.062 9.312 -1.777 1.00 51.33 C ATOM 0 H LEU A 77 4.556 13.173 -0.690 1.00 32.24 H new ATOM 0 HA LEU A 77 5.018 10.626 0.308 1.00 13.54 H new ATOM 0 HB2 LEU A 77 5.856 12.039 -1.793 1.00 22.31 H new ATOM 0 HB3 LEU A 77 7.226 12.388 -0.758 1.00 22.31 H new ATOM 0 HG LEU A 77 7.719 10.568 -2.268 1.00 34.21 H new ATOM 0 HD11 LEU A 77 8.469 8.864 -0.661 1.00 53.34 H new ATOM 0 HD12 LEU A 77 8.799 10.518 -0.093 1.00 53.34 H new ATOM 0 HD13 LEU A 77 7.435 9.599 0.586 1.00 53.34 H new ATOM 0 HD21 LEU A 77 6.557 8.390 -2.084 1.00 51.33 H new ATOM 0 HD22 LEU A 77 5.418 9.111 -0.921 1.00 51.33 H new ATOM 0 HD23 LEU A 77 5.460 9.692 -2.602 1.00 51.33 H new ATOM 1188 N ALA A 78 6.978 12.868 1.751 1.00 52.22 N ATOM 1189 CA ALA A 78 7.838 13.095 2.909 1.00 43.45 C ATOM 1190 C ALA A 78 7.052 13.001 4.209 1.00 14.12 C ATOM 1191 O ALA A 78 7.517 12.409 5.188 1.00 71.11 O ATOM 1192 CB ALA A 78 8.520 14.451 2.803 1.00 14.13 C ATOM 0 H ALA A 78 6.913 13.662 1.114 1.00 52.22 H new ATOM 0 HA ALA A 78 8.599 12.315 2.919 1.00 43.45 H new ATOM 0 HB1 ALA A 78 9.158 14.606 3.673 1.00 14.13 H new ATOM 0 HB2 ALA A 78 9.127 14.483 1.898 1.00 14.13 H new ATOM 0 HB3 ALA A 78 7.765 15.236 2.762 1.00 14.13 H new ATOM 1198 N GLY A 79 5.848 13.557 4.201 1.00 52.11 N ATOM 1199 CA GLY A 79 5.027 13.567 5.395 1.00 71.12 C ATOM 1200 C GLY A 79 4.598 12.175 5.814 1.00 50.00 C ATOM 1201 O GLY A 79 4.707 11.811 6.984 1.00 54.33 O ATOM 0 H GLY A 79 5.425 14.002 3.387 1.00 52.11 H new ATOM 0 HA2 GLY A 79 5.581 14.034 6.209 1.00 71.12 H new ATOM 0 HA3 GLY A 79 4.142 14.179 5.219 1.00 71.12 H new ATOM 1205 N ALA A 80 4.126 11.391 4.852 1.00 13.41 N ATOM 1206 CA ALA A 80 3.669 10.035 5.121 1.00 43.24 C ATOM 1207 C ALA A 80 4.797 9.165 5.665 1.00 24.23 C ATOM 1208 O ALA A 80 4.595 8.385 6.596 1.00 73.31 O ATOM 1209 CB ALA A 80 3.078 9.420 3.864 1.00 13.40 C ATOM 0 H ALA A 80 4.050 11.674 3.875 1.00 13.41 H new ATOM 0 HA ALA A 80 2.894 10.086 5.886 1.00 43.24 H new ATOM 0 HB1 ALA A 80 2.740 8.406 4.079 1.00 13.40 H new ATOM 0 HB2 ALA A 80 2.233 10.020 3.528 1.00 13.40 H new ATOM 0 HB3 ALA A 80 3.836 9.391 3.082 1.00 13.40 H new ATOM 1215 N ARG A 81 5.987 9.315 5.091 1.00 32.21 N ATOM 1216 CA ARG A 81 7.139 8.537 5.525 1.00 43.43 C ATOM 1217 C ARG A 81 7.464 8.802 6.991 1.00 53.32 C ATOM 1218 O ARG A 81 7.549 7.869 7.788 1.00 0.23 O ATOM 1219 CB ARG A 81 8.366 8.828 4.655 1.00 22.44 C ATOM 1220 CG ARG A 81 8.342 8.122 3.309 1.00 60.35 C ATOM 1221 CD ARG A 81 9.611 8.387 2.508 1.00 73.44 C ATOM 1222 NE ARG A 81 10.824 7.988 3.226 1.00 33.54 N ATOM 1223 CZ ARG A 81 11.831 7.307 2.671 1.00 3.13 C ATOM 1224 NH1 ARG A 81 11.753 6.888 1.414 1.00 52.20 N ATOM 1225 NH2 ARG A 81 12.922 7.033 3.379 1.00 23.33 N ATOM 0 H ARG A 81 6.177 9.965 4.328 1.00 32.21 H new ATOM 0 HA ARG A 81 6.878 7.485 5.413 1.00 43.43 H new ATOM 0 HB2 ARG A 81 8.437 9.903 4.490 1.00 22.44 H new ATOM 0 HB3 ARG A 81 9.263 8.529 5.196 1.00 22.44 H new ATOM 0 HG2 ARG A 81 8.227 7.049 3.463 1.00 60.35 H new ATOM 0 HG3 ARG A 81 7.476 8.457 2.738 1.00 60.35 H new ATOM 0 HD2 ARG A 81 9.559 7.847 1.562 1.00 73.44 H new ATOM 0 HD3 ARG A 81 9.669 9.448 2.266 1.00 73.44 H new ATOM 0 HE ARG A 81 10.905 8.246 4.210 1.00 33.54 H new ATOM 0 HH11 ARG A 81 10.918 7.085 0.862 1.00 52.20 H new ATOM 0 HH12 ARG A 81 12.528 6.369 1.000 1.00 52.20 H new ATOM 0 HH21 ARG A 81 12.992 7.343 4.348 1.00 23.33 H new ATOM 0 HH22 ARG A 81 13.689 6.513 2.953 1.00 23.33 H new ATOM 1239 N ARG A 82 7.620 10.071 7.350 1.00 5.33 N ATOM 1240 CA ARG A 82 7.968 10.432 8.723 1.00 34.02 C ATOM 1241 C ARG A 82 6.865 10.046 9.705 1.00 45.03 C ATOM 1242 O ARG A 82 7.151 9.687 10.847 1.00 20.41 O ATOM 1243 CB ARG A 82 8.285 11.924 8.835 1.00 52.12 C ATOM 1244 CG ARG A 82 9.736 12.254 8.515 1.00 42.20 C ATOM 1245 CD ARG A 82 10.044 13.726 8.737 1.00 32.21 C ATOM 1246 NE ARG A 82 11.483 13.960 8.887 1.00 22.05 N ATOM 1247 CZ ARG A 82 12.077 15.142 8.717 1.00 2.34 C ATOM 1248 NH1 ARG A 82 11.382 16.194 8.305 1.00 43.22 N ATOM 1249 NH2 ARG A 82 13.379 15.262 8.947 1.00 63.10 N ATOM 0 H ARG A 82 7.512 10.863 6.716 1.00 5.33 H new ATOM 0 HA ARG A 82 8.862 9.867 8.987 1.00 34.02 H new ATOM 0 HB2 ARG A 82 7.635 12.479 8.158 1.00 52.12 H new ATOM 0 HB3 ARG A 82 8.056 12.263 9.846 1.00 52.12 H new ATOM 0 HG2 ARG A 82 10.392 11.647 9.139 1.00 42.20 H new ATOM 0 HG3 ARG A 82 9.948 11.991 7.479 1.00 42.20 H new ATOM 0 HD2 ARG A 82 9.666 14.308 7.897 1.00 32.21 H new ATOM 0 HD3 ARG A 82 9.523 14.077 9.628 1.00 32.21 H new ATOM 0 HE ARG A 82 12.070 13.165 9.139 1.00 22.05 H new ATOM 0 HH11 ARG A 82 10.384 16.103 8.115 1.00 43.22 H new ATOM 0 HH12 ARG A 82 11.846 17.094 8.178 1.00 43.22 H new ATOM 0 HH21 ARG A 82 13.920 14.453 9.252 1.00 63.10 H new ATOM 0 HH22 ARG A 82 13.839 16.163 8.819 1.00 63.10 H new ATOM 1263 N LEU A 83 5.617 10.101 9.255 1.00 25.25 N ATOM 1264 CA LEU A 83 4.485 9.726 10.095 1.00 1.34 C ATOM 1265 C LEU A 83 4.559 8.246 10.473 1.00 35.53 C ATOM 1266 O LEU A 83 4.539 7.895 11.654 1.00 30.24 O ATOM 1267 CB LEU A 83 3.164 10.019 9.377 1.00 71.20 C ATOM 1268 CG LEU A 83 1.898 9.689 10.175 1.00 0.33 C ATOM 1269 CD1 LEU A 83 1.804 10.558 11.421 1.00 52.13 C ATOM 1270 CD2 LEU A 83 0.661 9.862 9.306 1.00 4.22 C ATOM 0 H LEU A 83 5.363 10.401 8.314 1.00 25.25 H new ATOM 0 HA LEU A 83 4.528 10.320 11.008 1.00 1.34 H new ATOM 0 HB2 LEU A 83 3.141 11.076 9.111 1.00 71.20 H new ATOM 0 HB3 LEU A 83 3.143 9.455 8.445 1.00 71.20 H new ATOM 0 HG LEU A 83 1.954 8.647 10.491 1.00 0.33 H new ATOM 0 HD11 LEU A 83 0.898 10.307 11.972 1.00 52.13 H new ATOM 0 HD12 LEU A 83 2.674 10.382 12.054 1.00 52.13 H new ATOM 0 HD13 LEU A 83 1.773 11.608 11.131 1.00 52.13 H new ATOM 0 HD21 LEU A 83 -0.229 9.624 9.888 1.00 4.22 H new ATOM 0 HD22 LEU A 83 0.602 10.893 8.959 1.00 4.22 H new ATOM 0 HD23 LEU A 83 0.723 9.193 8.448 1.00 4.22 H new ATOM 1282 N LEU A 84 4.659 7.385 9.466 1.00 31.52 N ATOM 1283 CA LEU A 84 4.733 5.943 9.694 1.00 13.02 C ATOM 1284 C LEU A 84 6.016 5.559 10.426 1.00 73.54 C ATOM 1285 O LEU A 84 6.031 4.602 11.200 1.00 42.31 O ATOM 1286 CB LEU A 84 4.630 5.172 8.371 1.00 61.44 C ATOM 1287 CG LEU A 84 3.203 4.910 7.867 1.00 73.45 C ATOM 1288 CD1 LEU A 84 2.468 6.208 7.573 1.00 35.21 C ATOM 1289 CD2 LEU A 84 3.239 4.034 6.628 1.00 32.23 C ATOM 0 H LEU A 84 4.691 7.659 8.484 1.00 31.52 H new ATOM 0 HA LEU A 84 3.887 5.671 10.324 1.00 13.02 H new ATOM 0 HB2 LEU A 84 5.171 5.727 7.604 1.00 61.44 H new ATOM 0 HB3 LEU A 84 5.137 4.214 8.489 1.00 61.44 H new ATOM 0 HG LEU A 84 2.659 4.392 8.657 1.00 73.45 H new ATOM 0 HD11 LEU A 84 1.462 5.984 7.219 1.00 35.21 H new ATOM 0 HD12 LEU A 84 2.408 6.806 8.482 1.00 35.21 H new ATOM 0 HD13 LEU A 84 3.007 6.766 6.807 1.00 35.21 H new ATOM 0 HD21 LEU A 84 2.222 3.855 6.279 1.00 32.23 H new ATOM 0 HD22 LEU A 84 3.808 4.535 5.845 1.00 32.23 H new ATOM 0 HD23 LEU A 84 3.713 3.082 6.869 1.00 32.23 H new ATOM 1301 N THR A 85 7.086 6.306 10.187 1.00 3.14 N ATOM 1302 CA THR A 85 8.358 6.048 10.851 1.00 44.40 C ATOM 1303 C THR A 85 8.237 6.268 12.360 1.00 12.11 C ATOM 1304 O THR A 85 8.662 5.428 13.155 1.00 32.23 O ATOM 1305 CB THR A 85 9.486 6.938 10.282 1.00 41.33 C ATOM 1306 OG1 THR A 85 9.626 6.708 8.875 1.00 14.14 O ATOM 1307 CG2 THR A 85 10.815 6.656 10.967 1.00 23.51 C ATOM 0 H THR A 85 7.099 7.094 9.540 1.00 3.14 H new ATOM 0 HA THR A 85 8.616 5.006 10.662 1.00 44.40 H new ATOM 0 HB THR A 85 9.214 7.977 10.467 1.00 41.33 H new ATOM 0 HG1 THR A 85 8.990 7.272 8.387 1.00 14.14 H new ATOM 0 HG21 THR A 85 11.586 7.299 10.543 1.00 23.51 H new ATOM 0 HG22 THR A 85 10.723 6.855 12.035 1.00 23.51 H new ATOM 0 HG23 THR A 85 11.089 5.612 10.815 1.00 23.51 H new ATOM 1315 N ASP A 86 7.617 7.382 12.746 1.00 31.21 N ATOM 1316 CA ASP A 86 7.436 7.707 14.158 1.00 44.42 C ATOM 1317 C ASP A 86 6.468 6.724 14.812 1.00 33.30 C ATOM 1318 O ASP A 86 6.575 6.424 16.001 1.00 63.40 O ATOM 1319 CB ASP A 86 6.928 9.144 14.325 1.00 71.02 C ATOM 1320 CG ASP A 86 6.820 9.550 15.782 1.00 51.41 C ATOM 1321 OD1 ASP A 86 7.874 9.715 16.433 1.00 53.05 O ATOM 1322 OD2 ASP A 86 5.686 9.707 16.282 1.00 24.23 O ATOM 0 H ASP A 86 7.233 8.073 12.101 1.00 31.21 H new ATOM 0 HA ASP A 86 8.404 7.626 14.652 1.00 44.42 H new ATOM 0 HB2 ASP A 86 7.602 9.828 13.809 1.00 71.02 H new ATOM 0 HB3 ASP A 86 5.952 9.239 13.850 1.00 71.02 H new ATOM 1327 N ALA A 87 5.536 6.207 14.022 1.00 45.41 N ATOM 1328 CA ALA A 87 4.571 5.231 14.514 1.00 31.32 C ATOM 1329 C ALA A 87 5.210 3.850 14.661 1.00 74.23 C ATOM 1330 O ALA A 87 4.651 2.965 15.310 1.00 11.11 O ATOM 1331 CB ALA A 87 3.374 5.166 13.585 1.00 44.33 C ATOM 0 H ALA A 87 5.427 6.447 13.037 1.00 45.41 H new ATOM 0 HA ALA A 87 4.235 5.551 15.500 1.00 31.32 H new ATOM 0 HB1 ALA A 87 2.660 4.434 13.962 1.00 44.33 H new ATOM 0 HB2 ALA A 87 2.898 6.145 13.536 1.00 44.33 H new ATOM 0 HB3 ALA A 87 3.703 4.872 12.588 1.00 44.33 H new ATOM 1337 N GLY A 88 6.380 3.674 14.059 1.00 45.31 N ATOM 1338 CA GLY A 88 7.083 2.410 14.158 1.00 73.10 C ATOM 1339 C GLY A 88 6.697 1.446 13.054 1.00 31.30 C ATOM 1340 O GLY A 88 7.076 0.276 13.078 1.00 44.34 O ATOM 0 H GLY A 88 6.855 4.386 13.503 1.00 45.31 H new ATOM 0 HA2 GLY A 88 8.157 2.591 14.120 1.00 73.10 H new ATOM 0 HA3 GLY A 88 6.871 1.954 15.125 1.00 73.10 H new ATOM 1344 N LEU A 89 5.954 1.944 12.074 1.00 33.14 N ATOM 1345 CA LEU A 89 5.491 1.118 10.971 1.00 40.12 C ATOM 1346 C LEU A 89 6.411 1.262 9.767 1.00 52.34 C ATOM 1347 O LEU A 89 6.069 0.852 8.656 1.00 22.44 O ATOM 1348 CB LEU A 89 4.058 1.493 10.591 1.00 62.44 C ATOM 1349 CG LEU A 89 3.003 1.199 11.659 1.00 71.55 C ATOM 1350 CD1 LEU A 89 1.621 1.598 11.166 1.00 42.53 C ATOM 1351 CD2 LEU A 89 3.029 -0.273 12.045 1.00 1.23 C ATOM 0 H LEU A 89 5.659 2.919 12.022 1.00 33.14 H new ATOM 0 HA LEU A 89 5.507 0.077 11.293 1.00 40.12 H new ATOM 0 HB2 LEU A 89 4.028 2.557 10.357 1.00 62.44 H new ATOM 0 HB3 LEU A 89 3.789 0.958 9.680 1.00 62.44 H new ATOM 0 HG LEU A 89 3.236 1.790 12.545 1.00 71.55 H new ATOM 0 HD11 LEU A 89 0.883 1.382 11.938 1.00 42.53 H new ATOM 0 HD12 LEU A 89 1.609 2.664 10.941 1.00 42.53 H new ATOM 0 HD13 LEU A 89 1.379 1.034 10.265 1.00 42.53 H new ATOM 0 HD21 LEU A 89 2.272 -0.463 12.806 1.00 1.23 H new ATOM 0 HD22 LEU A 89 2.822 -0.883 11.166 1.00 1.23 H new ATOM 0 HD23 LEU A 89 4.012 -0.528 12.440 1.00 1.23 H new ATOM 1363 N ALA A 90 7.583 1.836 9.996 1.00 52.12 N ATOM 1364 CA ALA A 90 8.571 2.009 8.941 1.00 21.53 C ATOM 1365 C ALA A 90 9.190 0.667 8.557 1.00 40.03 C ATOM 1366 O ALA A 90 10.272 0.309 9.021 1.00 12.10 O ATOM 1367 CB ALA A 90 9.650 2.994 9.369 1.00 44.12 C ATOM 0 H ALA A 90 7.874 2.191 10.907 1.00 52.12 H new ATOM 0 HA ALA A 90 8.066 2.416 8.065 1.00 21.53 H new ATOM 0 HB1 ALA A 90 10.378 3.108 8.566 1.00 44.12 H new ATOM 0 HB2 ALA A 90 9.195 3.960 9.586 1.00 44.12 H new ATOM 0 HB3 ALA A 90 10.151 2.620 10.262 1.00 44.12 H new ATOM 1373 N HIS A 91 8.476 -0.086 7.734 1.00 44.52 N ATOM 1374 CA HIS A 91 8.938 -1.393 7.297 1.00 23.22 C ATOM 1375 C HIS A 91 8.724 -1.543 5.797 1.00 21.12 C ATOM 1376 O HIS A 91 9.668 -1.758 5.044 1.00 62.24 O ATOM 1377 CB HIS A 91 8.191 -2.496 8.057 1.00 35.44 C ATOM 1378 CG HIS A 91 8.799 -3.859 7.924 1.00 11.43 C ATOM 1379 ND1 HIS A 91 9.400 -4.520 8.975 1.00 53.03 N ATOM 1380 CD2 HIS A 91 8.884 -4.696 6.862 1.00 64.33 C ATOM 1381 CE1 HIS A 91 9.830 -5.698 8.565 1.00 13.31 C ATOM 1382 NE2 HIS A 91 9.528 -5.830 7.289 1.00 34.44 N ATOM 0 H HIS A 91 7.570 0.188 7.354 1.00 44.52 H new ATOM 0 HA HIS A 91 10.003 -1.485 7.510 1.00 23.22 H new ATOM 0 HB2 HIS A 91 8.152 -2.230 9.113 1.00 35.44 H new ATOM 0 HB3 HIS A 91 7.162 -2.534 7.700 1.00 35.44 H new ATOM 0 HD2 HIS A 91 8.514 -4.506 5.865 1.00 64.33 H new ATOM 0 HE1 HIS A 91 10.342 -6.430 9.172 1.00 13.31 H new ATOM 0 HE2 HIS A 91 9.739 -6.644 6.712 1.00 34.44 H new ATOM 1391 N GLU A 92 7.477 -1.404 5.366 1.00 74.30 N ATOM 1392 CA GLU A 92 7.143 -1.563 3.957 1.00 14.02 C ATOM 1393 C GLU A 92 7.224 -0.239 3.204 1.00 61.15 C ATOM 1394 O GLU A 92 6.825 -0.160 2.043 1.00 42.21 O ATOM 1395 CB GLU A 92 5.746 -2.159 3.803 1.00 33.32 C ATOM 1396 CG GLU A 92 5.641 -3.601 4.269 1.00 62.54 C ATOM 1397 CD GLU A 92 6.612 -4.518 3.547 1.00 33.34 C ATOM 1398 OE1 GLU A 92 6.633 -4.517 2.296 1.00 70.21 O ATOM 1399 OE2 GLU A 92 7.348 -5.257 4.230 1.00 71.00 O ATOM 0 H GLU A 92 6.684 -1.183 5.968 1.00 74.30 H new ATOM 0 HA GLU A 92 7.877 -2.243 3.525 1.00 14.02 H new ATOM 0 HB2 GLU A 92 5.038 -1.552 4.367 1.00 33.32 H new ATOM 0 HB3 GLU A 92 5.450 -2.103 2.755 1.00 33.32 H new ATOM 0 HG2 GLU A 92 5.831 -3.648 5.341 1.00 62.54 H new ATOM 0 HG3 GLU A 92 4.623 -3.958 4.110 1.00 62.54 H new ATOM 1406 N LEU A 93 7.727 0.798 3.868 1.00 64.12 N ATOM 1407 CA LEU A 93 7.916 2.098 3.226 1.00 51.03 C ATOM 1408 C LEU A 93 8.890 1.963 2.065 1.00 60.10 C ATOM 1409 O LEU A 93 10.045 1.577 2.256 1.00 61.14 O ATOM 1410 CB LEU A 93 8.433 3.142 4.226 1.00 71.13 C ATOM 1411 CG LEU A 93 7.372 3.778 5.137 1.00 62.12 C ATOM 1412 CD1 LEU A 93 6.717 2.739 6.031 1.00 33.23 C ATOM 1413 CD2 LEU A 93 7.989 4.886 5.975 1.00 64.22 C ATOM 0 H LEU A 93 8.011 0.765 4.847 1.00 64.12 H new ATOM 0 HA LEU A 93 6.950 2.438 2.853 1.00 51.03 H new ATOM 0 HB2 LEU A 93 9.190 2.672 4.854 1.00 71.13 H new ATOM 0 HB3 LEU A 93 8.930 3.936 3.669 1.00 71.13 H new ATOM 0 HG LEU A 93 6.598 4.207 4.501 1.00 62.12 H new ATOM 0 HD11 LEU A 93 5.971 3.221 6.663 1.00 33.23 H new ATOM 0 HD12 LEU A 93 6.234 1.981 5.414 1.00 33.23 H new ATOM 0 HD13 LEU A 93 7.475 2.269 6.658 1.00 33.23 H new ATOM 0 HD21 LEU A 93 7.225 5.327 6.615 1.00 64.22 H new ATOM 0 HD22 LEU A 93 8.786 4.474 6.593 1.00 64.22 H new ATOM 0 HD23 LEU A 93 8.399 5.653 5.318 1.00 64.22 H new ATOM 1425 N ARG A 94 8.422 2.270 0.867 1.00 34.15 N ATOM 1426 CA ARG A 94 9.196 2.024 -0.335 1.00 24.45 C ATOM 1427 C ARG A 94 9.450 3.294 -1.131 1.00 33.42 C ATOM 1428 O ARG A 94 8.562 4.123 -1.321 1.00 42.20 O ATOM 1429 CB ARG A 94 8.485 0.993 -1.207 1.00 62.24 C ATOM 1430 CG ARG A 94 8.449 -0.390 -0.583 1.00 41.12 C ATOM 1431 CD ARG A 94 7.658 -1.372 -1.423 1.00 74.21 C ATOM 1432 NE ARG A 94 7.739 -2.728 -0.877 1.00 24.41 N ATOM 1433 CZ ARG A 94 7.875 -3.821 -1.623 1.00 62.35 C ATOM 1434 NH1 ARG A 94 7.842 -3.733 -2.950 1.00 75.33 N ATOM 1435 NH2 ARG A 94 8.041 -5.001 -1.036 1.00 43.15 N ATOM 0 H ARG A 94 7.508 2.691 0.702 1.00 34.15 H new ATOM 0 HA ARG A 94 10.167 1.640 -0.024 1.00 24.45 H new ATOM 0 HB2 ARG A 94 7.465 1.327 -1.395 1.00 62.24 H new ATOM 0 HB3 ARG A 94 8.985 0.936 -2.174 1.00 62.24 H new ATOM 0 HG2 ARG A 94 9.467 -0.758 -0.458 1.00 41.12 H new ATOM 0 HG3 ARG A 94 8.009 -0.327 0.412 1.00 41.12 H new ATOM 0 HD2 ARG A 94 6.615 -1.058 -1.468 1.00 74.21 H new ATOM 0 HD3 ARG A 94 8.037 -1.366 -2.445 1.00 74.21 H new ATOM 0 HE ARG A 94 7.688 -2.841 0.135 1.00 24.41 H new ATOM 0 HH11 ARG A 94 7.712 -2.826 -3.398 1.00 75.33 H new ATOM 0 HH12 ARG A 94 7.947 -4.573 -3.520 1.00 75.33 H new ATOM 0 HH21 ARG A 94 8.064 -5.066 -0.018 1.00 43.15 H new ATOM 0 HH22 ARG A 94 8.146 -5.842 -1.603 1.00 43.15 H new