USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=10 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+ -116:sc= 0.0202 (180deg=-0.015) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 32:sc= 0.0155 USER MOD Single : A 5 HIS : no HD1:sc= -0.0427 X(o=-0.043,f=-0.3) USER MOD Single : A 6 HIS : no HD1:sc= -0.624 K(o=-0.62,f=0.13) USER MOD Single : A 7 HIS : no HD1:sc= -0.0125 X(o=-0.013,f=0) USER MOD Single : A 8 HIS : no HD1:sc= -0.531 K(o=-0.53,f=0.065) USER MOD Single : A 9 HIS : no HD1:sc= -0.213 X(o=-0.21,f=-0.14) USER MOD Single : A 10 HIS : no HD1:sc= -0.458 X(o=-0.46,f=-0.13) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 87:sc= 1.26 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot 74:sc= 1.26 USER MOD Single : A 49 HIS : no HE2:sc= -0.514 K(o=-0.47,f=-3.3) USER MOD Single : A 73 HIS : no HD1:sc= -0.402 X(o=-0.4,f=-0.16) USER MOD Single : A 85 THR OG1 : rot 64:sc= 1.25 USER MOD Single : A 91 HIS : no HE2:sc= 1.1 K(o=1.1,f=-6!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -24.968 59.760 -5.081 1.00 0.00 N ATOM 2 CA MET A 1 -24.212 60.904 -4.520 1.00 52.33 C ATOM 3 C MET A 1 -23.125 60.405 -3.579 1.00 53.11 C ATOM 4 O MET A 1 -23.312 59.420 -2.865 1.00 23.44 O ATOM 5 CB MET A 1 -25.144 61.853 -3.762 1.00 10.40 C ATOM 6 CG MET A 1 -26.137 62.585 -4.651 1.00 14.43 C ATOM 7 SD MET A 1 -27.173 63.746 -3.735 1.00 2.01 S ATOM 8 CE MET A 1 -28.167 64.426 -5.066 1.00 4.15 C ATOM 0 H1 MET A 1 -24.827 59.722 -6.111 1.00 0.00 H new ATOM 0 H2 MET A 1 -24.628 58.876 -4.652 1.00 0.00 H new ATOM 0 H3 MET A 1 -25.980 59.878 -4.875 1.00 0.00 H new ATOM 0 HA MET A 1 -23.756 61.445 -5.349 1.00 52.33 H new ATOM 0 HB2 MET A 1 -25.694 61.284 -3.012 1.00 10.40 H new ATOM 0 HB3 MET A 1 -24.542 62.587 -3.227 1.00 10.40 H new ATOM 0 HG2 MET A 1 -25.594 63.124 -5.427 1.00 14.43 H new ATOM 0 HG3 MET A 1 -26.773 61.857 -5.154 1.00 14.43 H new ATOM 0 HE1 MET A 1 -28.861 65.163 -4.662 1.00 4.15 H new ATOM 0 HE2 MET A 1 -27.516 64.904 -5.798 1.00 4.15 H new ATOM 0 HE3 MET A 1 -28.728 63.625 -5.547 1.00 4.15 H new ATOM 20 N GLY A 2 -21.992 61.092 -3.579 1.00 5.11 N ATOM 21 CA GLY A 2 -20.869 60.671 -2.762 1.00 42.45 C ATOM 22 C GLY A 2 -20.074 59.562 -3.426 1.00 3.13 C ATOM 23 O GLY A 2 -20.326 59.225 -4.584 1.00 52.42 O ATOM 0 H GLY A 2 -21.829 61.935 -4.130 1.00 5.11 H new ATOM 0 HA2 GLY A 2 -20.216 61.524 -2.574 1.00 42.45 H new ATOM 0 HA3 GLY A 2 -21.233 60.328 -1.793 1.00 42.45 H new ATOM 27 N SER A 3 -19.121 58.993 -2.707 1.00 35.24 N ATOM 28 CA SER A 3 -18.302 57.917 -3.241 1.00 52.44 C ATOM 29 C SER A 3 -18.033 56.861 -2.174 1.00 3.23 C ATOM 30 O SER A 3 -17.965 57.174 -0.982 1.00 70.55 O ATOM 31 CB SER A 3 -16.987 58.479 -3.795 1.00 72.44 C ATOM 32 OG SER A 3 -16.385 59.379 -2.877 1.00 1.22 O ATOM 0 H SER A 3 -18.895 59.259 -1.749 1.00 35.24 H new ATOM 0 HA SER A 3 -18.845 57.439 -4.056 1.00 52.44 H new ATOM 0 HB2 SER A 3 -16.300 57.660 -4.009 1.00 72.44 H new ATOM 0 HB3 SER A 3 -17.176 58.991 -4.739 1.00 72.44 H new ATOM 0 HG SER A 3 -15.548 59.721 -3.255 1.00 1.22 H new ATOM 38 N SER A 4 -17.905 55.617 -2.607 1.00 24.25 N ATOM 39 CA SER A 4 -17.659 54.507 -1.699 1.00 71.12 C ATOM 40 C SER A 4 -16.164 54.340 -1.450 1.00 42.01 C ATOM 41 O SER A 4 -15.360 54.358 -2.384 1.00 33.35 O ATOM 42 CB SER A 4 -18.258 53.217 -2.274 1.00 41.34 C ATOM 43 OG SER A 4 -17.877 53.034 -3.631 1.00 4.34 O ATOM 0 H SER A 4 -17.968 55.349 -3.589 1.00 24.25 H new ATOM 0 HA SER A 4 -18.140 54.721 -0.745 1.00 71.12 H new ATOM 0 HB2 SER A 4 -17.927 52.364 -1.682 1.00 41.34 H new ATOM 0 HB3 SER A 4 -19.345 53.253 -2.200 1.00 41.34 H new ATOM 0 HG SER A 4 -16.985 53.413 -3.774 1.00 4.34 H new ATOM 49 N HIS A 5 -15.790 54.187 -0.188 1.00 4.04 N ATOM 50 CA HIS A 5 -14.390 54.023 0.172 1.00 44.34 C ATOM 51 C HIS A 5 -14.172 52.744 0.973 1.00 33.44 C ATOM 52 O HIS A 5 -14.710 52.570 2.066 1.00 35.32 O ATOM 53 CB HIS A 5 -13.857 55.251 0.938 1.00 3.45 C ATOM 54 CG HIS A 5 -14.585 55.572 2.210 1.00 24.21 C ATOM 55 ND1 HIS A 5 -14.182 55.117 3.448 1.00 71.54 N ATOM 56 CD2 HIS A 5 -15.692 56.321 2.432 1.00 0.12 C ATOM 57 CE1 HIS A 5 -15.009 55.567 4.373 1.00 44.02 C ATOM 58 NE2 HIS A 5 -15.934 56.300 3.783 1.00 42.12 N ATOM 0 H HIS A 5 -16.435 54.173 0.602 1.00 4.04 H new ATOM 0 HA HIS A 5 -13.823 53.939 -0.755 1.00 44.34 H new ATOM 0 HB2 HIS A 5 -12.805 55.086 1.171 1.00 3.45 H new ATOM 0 HB3 HIS A 5 -13.905 56.119 0.281 1.00 3.45 H new ATOM 0 HD2 HIS A 5 -16.276 56.838 1.685 1.00 0.12 H new ATOM 0 HE1 HIS A 5 -14.940 55.369 5.432 1.00 44.02 H new ATOM 0 HE2 HIS A 5 -16.704 56.774 4.254 1.00 42.12 H new ATOM 67 N HIS A 6 -13.405 51.839 0.393 1.00 41.03 N ATOM 68 CA HIS A 6 -13.019 50.603 1.060 1.00 63.14 C ATOM 69 C HIS A 6 -11.606 50.212 0.641 1.00 2.54 C ATOM 70 O HIS A 6 -11.375 49.790 -0.490 1.00 32.03 O ATOM 71 CB HIS A 6 -14.017 49.459 0.779 1.00 63.55 C ATOM 72 CG HIS A 6 -14.562 49.399 -0.624 1.00 31.41 C ATOM 73 ND1 HIS A 6 -15.912 49.344 -0.894 1.00 40.32 N ATOM 74 CD2 HIS A 6 -13.941 49.368 -1.827 1.00 54.25 C ATOM 75 CE1 HIS A 6 -16.098 49.282 -2.200 1.00 31.50 C ATOM 76 NE2 HIS A 6 -14.918 49.295 -2.787 1.00 14.23 N ATOM 0 H HIS A 6 -13.031 51.937 -0.551 1.00 41.03 H new ATOM 0 HA HIS A 6 -13.037 50.778 2.136 1.00 63.14 H new ATOM 0 HB2 HIS A 6 -13.526 48.511 1.000 1.00 63.55 H new ATOM 0 HB3 HIS A 6 -14.854 49.553 1.471 1.00 63.55 H new ATOM 0 HD2 HIS A 6 -12.875 49.396 -1.999 1.00 54.25 H new ATOM 0 HE1 HIS A 6 -17.053 49.230 -2.701 1.00 31.50 H new ATOM 0 HE2 HIS A 6 -14.757 49.257 -3.794 1.00 14.23 H new ATOM 85 N HIS A 7 -10.652 50.387 1.544 1.00 1.43 N ATOM 86 CA HIS A 7 -9.252 50.129 1.227 1.00 11.35 C ATOM 87 C HIS A 7 -8.618 49.195 2.248 1.00 33.12 C ATOM 88 O HIS A 7 -8.370 49.586 3.389 1.00 73.02 O ATOM 89 CB HIS A 7 -8.448 51.434 1.171 1.00 73.23 C ATOM 90 CG HIS A 7 -8.811 52.338 0.032 1.00 0.40 C ATOM 91 ND1 HIS A 7 -8.749 53.710 0.115 1.00 61.11 N ATOM 92 CD2 HIS A 7 -9.228 52.059 -1.223 1.00 44.50 C ATOM 93 CE1 HIS A 7 -9.109 54.236 -1.039 1.00 31.11 C ATOM 94 NE2 HIS A 7 -9.405 53.255 -1.869 1.00 21.51 N ATOM 0 H HIS A 7 -10.819 50.705 2.499 1.00 1.43 H new ATOM 0 HA HIS A 7 -9.230 49.652 0.247 1.00 11.35 H new ATOM 0 HB2 HIS A 7 -8.590 51.974 2.107 1.00 73.23 H new ATOM 0 HB3 HIS A 7 -7.388 51.190 1.102 1.00 73.23 H new ATOM 0 HD2 HIS A 7 -9.391 51.076 -1.640 1.00 44.50 H new ATOM 0 HE1 HIS A 7 -9.154 55.291 -1.266 1.00 31.11 H new ATOM 0 HE2 HIS A 7 -9.715 53.368 -2.834 1.00 21.51 H new ATOM 103 N HIS A 8 -8.377 47.962 1.837 1.00 42.45 N ATOM 104 CA HIS A 8 -7.630 47.008 2.647 1.00 21.02 C ATOM 105 C HIS A 8 -6.780 46.130 1.739 1.00 43.24 C ATOM 106 O HIS A 8 -7.168 45.845 0.607 1.00 0.23 O ATOM 107 CB HIS A 8 -8.555 46.158 3.541 1.00 71.01 C ATOM 108 CG HIS A 8 -9.678 45.451 2.840 1.00 64.12 C ATOM 109 ND1 HIS A 8 -10.964 45.440 3.330 1.00 65.11 N ATOM 110 CD2 HIS A 8 -9.709 44.705 1.709 1.00 61.53 C ATOM 111 CE1 HIS A 8 -11.732 44.719 2.541 1.00 11.13 C ATOM 112 NE2 HIS A 8 -10.997 44.261 1.547 1.00 65.31 N ATOM 0 H HIS A 8 -8.690 47.593 0.939 1.00 42.45 H new ATOM 0 HA HIS A 8 -6.978 47.565 3.320 1.00 21.02 H new ATOM 0 HB2 HIS A 8 -7.947 45.413 4.054 1.00 71.01 H new ATOM 0 HB3 HIS A 8 -8.981 46.805 4.308 1.00 71.01 H new ATOM 0 HD2 HIS A 8 -8.874 44.498 1.056 1.00 61.53 H new ATOM 0 HE1 HIS A 8 -12.786 44.534 2.684 1.00 11.13 H new ATOM 0 HE2 HIS A 8 -11.331 43.673 0.783 1.00 65.31 H new ATOM 121 N HIS A 9 -5.612 45.730 2.222 1.00 40.42 N ATOM 122 CA HIS A 9 -4.682 44.965 1.403 1.00 73.45 C ATOM 123 C HIS A 9 -3.729 44.131 2.260 1.00 2.34 C ATOM 124 O HIS A 9 -2.974 44.662 3.070 1.00 14.02 O ATOM 125 CB HIS A 9 -3.882 45.906 0.483 1.00 4.22 C ATOM 126 CG HIS A 9 -3.057 46.936 1.204 1.00 40.41 C ATOM 127 ND1 HIS A 9 -1.679 46.934 1.206 1.00 52.44 N ATOM 128 CD2 HIS A 9 -3.428 48.003 1.948 1.00 62.42 C ATOM 129 CE1 HIS A 9 -1.242 47.952 1.921 1.00 45.21 C ATOM 130 NE2 HIS A 9 -2.283 48.619 2.382 1.00 22.31 N ATOM 0 H HIS A 9 -5.287 45.921 3.170 1.00 40.42 H new ATOM 0 HA HIS A 9 -5.268 44.278 0.792 1.00 73.45 H new ATOM 0 HB2 HIS A 9 -3.223 45.306 -0.144 1.00 4.22 H new ATOM 0 HB3 HIS A 9 -4.576 46.418 -0.183 1.00 4.22 H new ATOM 0 HD2 HIS A 9 -4.440 48.313 2.161 1.00 62.42 H new ATOM 0 HE1 HIS A 9 -0.206 48.199 2.099 1.00 45.21 H new ATOM 0 HE2 HIS A 9 -2.242 49.455 2.965 1.00 22.31 H new ATOM 139 N HIS A 10 -3.791 42.819 2.097 1.00 62.20 N ATOM 140 CA HIS A 10 -2.787 41.932 2.664 1.00 2.44 C ATOM 141 C HIS A 10 -2.554 40.746 1.731 1.00 13.42 C ATOM 142 O HIS A 10 -3.286 39.757 1.746 1.00 33.30 O ATOM 143 CB HIS A 10 -3.139 41.478 4.102 1.00 32.42 C ATOM 144 CG HIS A 10 -4.471 40.797 4.282 1.00 44.02 C ATOM 145 ND1 HIS A 10 -5.620 41.474 4.628 1.00 1.34 N ATOM 146 CD2 HIS A 10 -4.821 39.489 4.211 1.00 51.05 C ATOM 147 CE1 HIS A 10 -6.612 40.615 4.766 1.00 62.40 C ATOM 148 NE2 HIS A 10 -6.155 39.403 4.518 1.00 51.32 N ATOM 0 H HIS A 10 -4.528 42.344 1.576 1.00 62.20 H new ATOM 0 HA HIS A 10 -1.856 42.492 2.752 1.00 2.44 H new ATOM 0 HB2 HIS A 10 -2.359 40.799 4.447 1.00 32.42 H new ATOM 0 HB3 HIS A 10 -3.111 42.352 4.753 1.00 32.42 H new ATOM 0 HD2 HIS A 10 -4.169 38.666 3.959 1.00 51.05 H new ATOM 0 HE1 HIS A 10 -7.628 40.863 5.037 1.00 62.40 H new ATOM 0 HE2 HIS A 10 -6.703 38.543 4.549 1.00 51.32 H new ATOM 157 N SER A 11 -1.554 40.884 0.880 1.00 61.42 N ATOM 158 CA SER A 11 -1.220 39.850 -0.079 1.00 5.12 C ATOM 159 C SER A 11 0.274 39.564 -0.018 1.00 55.15 C ATOM 160 O SER A 11 1.088 40.338 -0.526 1.00 61.23 O ATOM 161 CB SER A 11 -1.632 40.290 -1.488 1.00 62.53 C ATOM 162 OG SER A 11 -1.681 39.193 -2.383 1.00 64.22 O ATOM 0 H SER A 11 -0.956 41.709 0.835 1.00 61.42 H new ATOM 0 HA SER A 11 -1.762 38.936 0.166 1.00 5.12 H new ATOM 0 HB2 SER A 11 -2.609 40.772 -1.448 1.00 62.53 H new ATOM 0 HB3 SER A 11 -0.925 41.032 -1.859 1.00 62.53 H new ATOM 0 HG SER A 11 -1.948 39.508 -3.272 1.00 64.22 H new ATOM 168 N SER A 12 0.629 38.472 0.634 1.00 61.53 N ATOM 169 CA SER A 12 2.019 38.114 0.830 1.00 32.52 C ATOM 170 C SER A 12 2.150 36.598 0.886 1.00 53.12 C ATOM 171 O SER A 12 1.188 35.901 1.206 1.00 64.23 O ATOM 172 CB SER A 12 2.542 38.754 2.123 1.00 55.10 C ATOM 173 OG SER A 12 3.939 38.553 2.281 1.00 12.34 O ATOM 0 H SER A 12 -0.035 37.813 1.040 1.00 61.53 H new ATOM 0 HA SER A 12 2.616 38.485 -0.003 1.00 32.52 H new ATOM 0 HB2 SER A 12 2.327 39.823 2.113 1.00 55.10 H new ATOM 0 HB3 SER A 12 2.014 38.331 2.978 1.00 55.10 H new ATOM 0 HG SER A 12 4.238 38.975 3.113 1.00 12.34 H new ATOM 179 N GLY A 13 3.328 36.095 0.559 1.00 74.03 N ATOM 180 CA GLY A 13 3.557 34.665 0.576 1.00 71.31 C ATOM 181 C GLY A 13 4.736 34.273 -0.285 1.00 4.23 C ATOM 182 O GLY A 13 4.612 34.172 -1.506 1.00 42.10 O ATOM 0 H GLY A 13 4.135 36.654 0.280 1.00 74.03 H new ATOM 0 HA2 GLY A 13 3.731 34.337 1.601 1.00 71.31 H new ATOM 0 HA3 GLY A 13 2.663 34.150 0.224 1.00 71.31 H new ATOM 186 N ARG A 14 5.882 34.066 0.349 1.00 75.02 N ATOM 187 CA ARG A 14 7.095 33.695 -0.367 1.00 3.04 C ATOM 188 C ARG A 14 7.273 32.183 -0.366 1.00 13.01 C ATOM 189 O ARG A 14 7.886 31.617 -1.273 1.00 42.23 O ATOM 190 CB ARG A 14 8.318 34.372 0.263 1.00 1.54 C ATOM 191 CG ARG A 14 8.490 34.063 1.740 1.00 54.25 C ATOM 192 CD ARG A 14 9.743 34.696 2.312 1.00 34.34 C ATOM 193 NE ARG A 14 9.872 34.422 3.738 1.00 52.31 N ATOM 194 CZ ARG A 14 11.016 34.102 4.339 1.00 33.32 C ATOM 195 NH1 ARG A 14 12.140 33.996 3.635 1.00 61.22 N ATOM 196 NH2 ARG A 14 11.030 33.875 5.646 1.00 15.34 N ATOM 0 H ARG A 14 5.997 34.149 1.359 1.00 75.02 H new ATOM 0 HA ARG A 14 7.002 34.034 -1.399 1.00 3.04 H new ATOM 0 HB2 ARG A 14 9.214 34.057 -0.272 1.00 1.54 H new ATOM 0 HB3 ARG A 14 8.233 35.451 0.134 1.00 1.54 H new ATOM 0 HG2 ARG A 14 7.620 34.422 2.289 1.00 54.25 H new ATOM 0 HG3 ARG A 14 8.533 32.983 1.882 1.00 54.25 H new ATOM 0 HD2 ARG A 14 10.618 34.315 1.786 1.00 34.34 H new ATOM 0 HD3 ARG A 14 9.716 35.773 2.148 1.00 34.34 H new ATOM 0 HE ARG A 14 9.031 34.479 4.313 1.00 52.31 H new ATOM 0 HH11 ARG A 14 12.129 34.160 2.628 1.00 61.22 H new ATOM 0 HH12 ARG A 14 13.013 33.750 4.102 1.00 61.22 H new ATOM 0 HH21 ARG A 14 10.167 33.946 6.185 1.00 15.34 H new ATOM 0 HH22 ARG A 14 11.904 33.629 6.112 1.00 15.34 H new ATOM 210 N GLU A 15 6.726 31.527 0.649 1.00 12.44 N ATOM 211 CA GLU A 15 6.836 30.084 0.759 1.00 44.15 C ATOM 212 C GLU A 15 5.739 29.407 -0.050 1.00 1.44 C ATOM 213 O GLU A 15 4.603 29.269 0.405 1.00 54.34 O ATOM 214 CB GLU A 15 6.787 29.645 2.222 1.00 72.24 C ATOM 215 CG GLU A 15 7.969 30.148 3.033 1.00 2.14 C ATOM 216 CD GLU A 15 7.934 29.698 4.479 1.00 30.52 C ATOM 217 OE1 GLU A 15 7.220 30.331 5.286 1.00 41.23 O ATOM 218 OE2 GLU A 15 8.632 28.718 4.821 1.00 63.51 O ATOM 0 H GLU A 15 6.204 31.972 1.404 1.00 12.44 H new ATOM 0 HA GLU A 15 7.800 29.779 0.352 1.00 44.15 H new ATOM 0 HB2 GLU A 15 5.863 30.007 2.673 1.00 72.24 H new ATOM 0 HB3 GLU A 15 6.759 28.556 2.268 1.00 72.24 H new ATOM 0 HG2 GLU A 15 8.893 29.798 2.572 1.00 2.14 H new ATOM 0 HG3 GLU A 15 7.988 31.237 2.998 1.00 2.14 H new ATOM 341 N LEU A 23 2.404 11.679 -8.045 1.00 60.41 N ATOM 342 CA LEU A 23 2.096 10.752 -6.973 1.00 4.55 C ATOM 343 C LEU A 23 3.044 9.571 -7.052 1.00 62.51 C ATOM 344 O LEU A 23 3.220 8.978 -8.117 1.00 31.30 O ATOM 345 CB LEU A 23 0.640 10.269 -7.045 1.00 51.30 C ATOM 346 CG LEU A 23 -0.422 11.274 -6.574 1.00 4.44 C ATOM 347 CD1 LEU A 23 -0.583 12.419 -7.565 1.00 12.25 C ATOM 348 CD2 LEU A 23 -1.753 10.570 -6.350 1.00 41.02 C ATOM 0 HA LEU A 23 2.222 11.268 -6.021 1.00 4.55 H new ATOM 0 HB2 LEU A 23 0.419 9.993 -8.076 1.00 51.30 H new ATOM 0 HB3 LEU A 23 0.547 9.364 -6.445 1.00 51.30 H new ATOM 0 HG LEU A 23 -0.085 11.700 -5.629 1.00 4.44 H new ATOM 0 HD11 LEU A 23 -1.342 13.111 -7.201 1.00 12.25 H new ATOM 0 HD12 LEU A 23 0.366 12.944 -7.672 1.00 12.25 H new ATOM 0 HD13 LEU A 23 -0.889 12.022 -8.533 1.00 12.25 H new ATOM 0 HD21 LEU A 23 -2.496 11.294 -6.016 1.00 41.02 H new ATOM 0 HD22 LEU A 23 -2.084 10.113 -7.283 1.00 41.02 H new ATOM 0 HD23 LEU A 23 -1.633 9.798 -5.590 1.00 41.02 H new ATOM 360 N ARG A 24 3.670 9.246 -5.938 1.00 64.53 N ATOM 361 CA ARG A 24 4.634 8.163 -5.908 1.00 73.14 C ATOM 362 C ARG A 24 4.037 6.949 -5.226 1.00 12.12 C ATOM 363 O ARG A 24 3.278 7.077 -4.260 1.00 5.22 O ATOM 364 CB ARG A 24 5.916 8.577 -5.184 1.00 10.22 C ATOM 365 CG ARG A 24 6.711 9.654 -5.899 1.00 14.34 C ATOM 366 CD ARG A 24 8.055 9.880 -5.226 1.00 13.23 C ATOM 367 NE ARG A 24 8.846 10.908 -5.902 1.00 64.10 N ATOM 368 CZ ARG A 24 10.178 10.942 -5.908 1.00 31.25 C ATOM 369 NH1 ARG A 24 10.876 9.994 -5.298 1.00 2.43 N ATOM 370 NH2 ARG A 24 10.807 11.922 -6.540 1.00 33.31 N ATOM 0 H ARG A 24 3.529 9.715 -5.043 1.00 64.53 H new ATOM 0 HA ARG A 24 4.886 7.916 -6.939 1.00 73.14 H new ATOM 0 HB2 ARG A 24 5.658 8.933 -4.186 1.00 10.22 H new ATOM 0 HB3 ARG A 24 6.548 7.698 -5.056 1.00 10.22 H new ATOM 0 HG2 ARG A 24 6.865 9.366 -6.939 1.00 14.34 H new ATOM 0 HG3 ARG A 24 6.144 10.585 -5.907 1.00 14.34 H new ATOM 0 HD2 ARG A 24 7.895 10.171 -4.188 1.00 13.23 H new ATOM 0 HD3 ARG A 24 8.614 8.944 -5.212 1.00 13.23 H new ATOM 0 HE ARG A 24 8.347 11.645 -6.400 1.00 64.10 H new ATOM 0 HH11 ARG A 24 10.393 9.233 -4.820 1.00 2.43 H new ATOM 0 HH12 ARG A 24 11.895 10.026 -5.306 1.00 2.43 H new ATOM 0 HH21 ARG A 24 10.272 12.646 -7.019 1.00 33.31 H new ATOM 0 HH22 ARG A 24 11.827 11.952 -6.547 1.00 33.31 H new ATOM 384 N GLU A 25 4.369 5.779 -5.740 1.00 51.43 N ATOM 385 CA GLU A 25 3.933 4.537 -5.138 1.00 75.33 C ATOM 386 C GLU A 25 4.777 4.280 -3.897 1.00 54.32 C ATOM 387 O GLU A 25 5.969 3.976 -3.994 1.00 22.15 O ATOM 388 CB GLU A 25 4.068 3.401 -6.154 1.00 10.21 C ATOM 389 CG GLU A 25 3.341 2.128 -5.765 1.00 14.40 C ATOM 390 CD GLU A 25 3.299 1.129 -6.902 1.00 24.50 C ATOM 391 OE1 GLU A 25 2.360 1.189 -7.720 1.00 23.44 O ATOM 392 OE2 GLU A 25 4.206 0.276 -6.985 1.00 22.02 O ATOM 0 H GLU A 25 4.942 5.665 -6.576 1.00 51.43 H new ATOM 0 HA GLU A 25 2.885 4.596 -4.844 1.00 75.33 H new ATOM 0 HB2 GLU A 25 3.688 3.743 -7.117 1.00 10.21 H new ATOM 0 HB3 GLU A 25 5.125 3.175 -6.291 1.00 10.21 H new ATOM 0 HG2 GLU A 25 3.835 1.677 -4.904 1.00 14.40 H new ATOM 0 HG3 GLU A 25 2.324 2.371 -5.458 1.00 14.40 H new ATOM 399 N LEU A 26 4.160 4.416 -2.734 1.00 61.41 N ATOM 400 CA LEU A 26 4.894 4.413 -1.481 1.00 75.40 C ATOM 401 C LEU A 26 5.206 3.003 -1.006 1.00 71.03 C ATOM 402 O LEU A 26 6.354 2.570 -1.042 1.00 2.15 O ATOM 403 CB LEU A 26 4.106 5.155 -0.397 1.00 0.11 C ATOM 404 CG LEU A 26 4.803 6.373 0.211 1.00 23.51 C ATOM 405 CD1 LEU A 26 3.992 6.920 1.376 1.00 52.14 C ATOM 406 CD2 LEU A 26 6.210 6.019 0.663 1.00 31.14 C ATOM 0 H LEU A 26 3.151 4.530 -2.633 1.00 61.41 H new ATOM 0 HA LEU A 26 5.839 4.925 -1.663 1.00 75.40 H new ATOM 0 HB2 LEU A 26 3.155 5.477 -0.821 1.00 0.11 H new ATOM 0 HB3 LEU A 26 3.876 4.453 0.404 1.00 0.11 H new ATOM 0 HG LEU A 26 4.876 7.144 -0.556 1.00 23.51 H new ATOM 0 HD11 LEU A 26 4.501 7.787 1.798 1.00 52.14 H new ATOM 0 HD12 LEU A 26 3.003 7.215 1.024 1.00 52.14 H new ATOM 0 HD13 LEU A 26 3.890 6.151 2.141 1.00 52.14 H new ATOM 0 HD21 LEU A 26 6.687 6.900 1.092 1.00 31.14 H new ATOM 0 HD22 LEU A 26 6.163 5.230 1.414 1.00 31.14 H new ATOM 0 HD23 LEU A 26 6.790 5.673 -0.192 1.00 31.14 H new ATOM 418 N LEU A 27 4.182 2.280 -0.581 1.00 24.40 N ATOM 419 CA LEU A 27 4.401 1.014 0.097 1.00 0.34 C ATOM 420 C LEU A 27 3.361 -0.029 -0.282 1.00 51.22 C ATOM 421 O LEU A 27 2.360 0.275 -0.937 1.00 52.42 O ATOM 422 CB LEU A 27 4.389 1.232 1.615 1.00 21.23 C ATOM 423 CG LEU A 27 3.057 1.699 2.201 1.00 31.11 C ATOM 424 CD1 LEU A 27 2.519 0.666 3.182 1.00 12.32 C ATOM 425 CD2 LEU A 27 3.221 3.046 2.886 1.00 74.34 C ATOM 0 H LEU A 27 3.203 2.544 -0.692 1.00 24.40 H new ATOM 0 HA LEU A 27 5.373 0.636 -0.219 1.00 0.34 H new ATOM 0 HB2 LEU A 27 4.673 0.299 2.101 1.00 21.23 H new ATOM 0 HB3 LEU A 27 5.154 1.967 1.865 1.00 21.23 H new ATOM 0 HG LEU A 27 2.341 1.811 1.387 1.00 31.11 H new ATOM 0 HD11 LEU A 27 1.570 1.012 3.591 1.00 12.32 H new ATOM 0 HD12 LEU A 27 2.367 -0.282 2.665 1.00 12.32 H new ATOM 0 HD13 LEU A 27 3.234 0.527 3.993 1.00 12.32 H new ATOM 0 HD21 LEU A 27 2.263 3.364 3.298 1.00 74.34 H new ATOM 0 HD22 LEU A 27 3.951 2.958 3.691 1.00 74.34 H new ATOM 0 HD23 LEU A 27 3.567 3.783 2.161 1.00 74.34 H new ATOM 437 N ARG A 28 3.621 -1.254 0.143 1.00 73.42 N ATOM 438 CA ARG A 28 2.724 -2.373 -0.075 1.00 61.12 C ATOM 439 C ARG A 28 2.660 -3.210 1.192 1.00 2.34 C ATOM 440 O ARG A 28 3.572 -3.156 2.014 1.00 33.21 O ATOM 441 CB ARG A 28 3.223 -3.257 -1.221 1.00 71.25 C ATOM 442 CG ARG A 28 4.588 -3.876 -0.945 1.00 23.25 C ATOM 443 CD ARG A 28 4.772 -5.193 -1.676 1.00 73.53 C ATOM 444 NE ARG A 28 4.824 -5.025 -3.126 1.00 11.32 N ATOM 445 CZ ARG A 28 4.911 -6.040 -3.987 1.00 61.52 C ATOM 446 NH1 ARG A 28 4.883 -7.292 -3.555 1.00 45.21 N ATOM 447 NH2 ARG A 28 5.011 -5.795 -5.286 1.00 71.53 N ATOM 0 H ARG A 28 4.469 -1.500 0.654 1.00 73.42 H new ATOM 0 HA ARG A 28 1.739 -1.983 -0.332 1.00 61.12 H new ATOM 0 HB2 ARG A 28 2.499 -4.052 -1.401 1.00 71.25 H new ATOM 0 HB3 ARG A 28 3.277 -2.663 -2.133 1.00 71.25 H new ATOM 0 HG2 ARG A 28 5.370 -3.180 -1.249 1.00 23.25 H new ATOM 0 HG3 ARG A 28 4.703 -4.037 0.127 1.00 23.25 H new ATOM 0 HD2 ARG A 28 5.692 -5.669 -1.335 1.00 73.53 H new ATOM 0 HD3 ARG A 28 3.952 -5.864 -1.420 1.00 73.53 H new ATOM 0 HE ARG A 28 4.792 -4.077 -3.502 1.00 11.32 H new ATOM 0 HH11 ARG A 28 4.794 -7.485 -2.557 1.00 45.21 H new ATOM 0 HH12 ARG A 28 4.950 -8.063 -4.220 1.00 45.21 H new ATOM 0 HH21 ARG A 28 5.021 -4.833 -5.624 1.00 71.53 H new ATOM 0 HH22 ARG A 28 5.078 -6.569 -5.947 1.00 71.53 H new ATOM 461 N THR A 29 1.601 -3.981 1.351 1.00 51.10 N ATOM 462 CA THR A 29 1.504 -4.899 2.469 1.00 34.21 C ATOM 463 C THR A 29 0.457 -5.964 2.180 1.00 62.14 C ATOM 464 O THR A 29 -0.368 -5.805 1.276 1.00 1.55 O ATOM 465 CB THR A 29 1.179 -4.165 3.791 1.00 62.32 C ATOM 466 OG1 THR A 29 1.293 -5.067 4.896 1.00 12.12 O ATOM 467 CG2 THR A 29 -0.219 -3.564 3.769 1.00 11.34 C ATOM 0 H THR A 29 0.798 -3.990 0.722 1.00 51.10 H new ATOM 0 HA THR A 29 2.476 -5.376 2.593 1.00 34.21 H new ATOM 0 HB THR A 29 1.898 -3.353 3.902 1.00 62.32 H new ATOM 0 HG1 THR A 29 2.220 -5.078 5.215 1.00 12.12 H new ATOM 0 HG21 THR A 29 -0.412 -3.057 4.714 1.00 11.34 H new ATOM 0 HG22 THR A 29 -0.294 -2.848 2.951 1.00 11.34 H new ATOM 0 HG23 THR A 29 -0.954 -4.357 3.626 1.00 11.34 H new ATOM 475 N ASN A 30 0.504 -7.051 2.939 1.00 43.00 N ATOM 476 CA ASN A 30 -0.362 -8.195 2.693 1.00 12.30 C ATOM 477 C ASN A 30 -1.308 -8.406 3.868 1.00 72.33 C ATOM 478 O ASN A 30 -1.979 -9.439 3.965 1.00 75.13 O ATOM 479 CB ASN A 30 0.477 -9.458 2.474 1.00 22.53 C ATOM 480 CG ASN A 30 1.656 -9.231 1.544 1.00 55.51 C ATOM 481 OD1 ASN A 30 1.540 -9.356 0.321 1.00 60.41 O ATOM 482 ND2 ASN A 30 2.803 -8.898 2.118 1.00 60.01 N ATOM 0 H ASN A 30 1.135 -7.164 3.732 1.00 43.00 H new ATOM 0 HA ASN A 30 -0.948 -7.996 1.796 1.00 12.30 H new ATOM 0 HB2 ASN A 30 0.843 -9.816 3.436 1.00 22.53 H new ATOM 0 HB3 ASN A 30 -0.158 -10.243 2.063 1.00 22.53 H new ATOM 0 HD21 ASN A 30 3.631 -8.735 1.546 1.00 60.01 H new ATOM 0 HD22 ASN A 30 2.858 -8.805 3.132 1.00 60.01 H new ATOM 489 N ASP A 31 -1.358 -7.427 4.762 1.00 53.03 N ATOM 490 CA ASP A 31 -2.177 -7.532 5.962 1.00 72.11 C ATOM 491 C ASP A 31 -3.214 -6.418 6.021 1.00 3.32 C ATOM 492 O ASP A 31 -2.903 -5.249 5.769 1.00 34.10 O ATOM 493 CB ASP A 31 -1.301 -7.495 7.214 1.00 71.54 C ATOM 494 CG ASP A 31 -2.104 -7.763 8.464 1.00 41.44 C ATOM 495 OD1 ASP A 31 -2.462 -8.936 8.696 1.00 0.32 O ATOM 496 OD2 ASP A 31 -2.399 -6.805 9.205 1.00 51.31 O ATOM 0 H ASP A 31 -0.841 -6.552 4.679 1.00 53.03 H new ATOM 0 HA ASP A 31 -2.701 -8.487 5.923 1.00 72.11 H new ATOM 0 HB2 ASP A 31 -0.507 -8.237 7.125 1.00 71.54 H new ATOM 0 HB3 ASP A 31 -0.819 -6.520 7.293 1.00 71.54 H new ATOM 501 N ALA A 32 -4.442 -6.788 6.371 1.00 51.01 N ATOM 502 CA ALA A 32 -5.554 -5.847 6.403 1.00 65.43 C ATOM 503 C ALA A 32 -5.448 -4.896 7.590 1.00 1.54 C ATOM 504 O ALA A 32 -5.870 -3.741 7.508 1.00 15.51 O ATOM 505 CB ALA A 32 -6.878 -6.597 6.445 1.00 14.54 C ATOM 0 H ALA A 32 -4.692 -7.740 6.638 1.00 51.01 H new ATOM 0 HA ALA A 32 -5.511 -5.249 5.493 1.00 65.43 H new ATOM 0 HB1 ALA A 32 -7.701 -5.882 6.469 1.00 14.54 H new ATOM 0 HB2 ALA A 32 -6.969 -7.225 5.559 1.00 14.54 H new ATOM 0 HB3 ALA A 32 -6.914 -7.221 7.338 1.00 14.54 H new ATOM 511 N VAL A 33 -4.881 -5.371 8.692 1.00 24.02 N ATOM 512 CA VAL A 33 -4.727 -4.537 9.876 1.00 71.45 C ATOM 513 C VAL A 33 -3.684 -3.461 9.611 1.00 32.33 C ATOM 514 O VAL A 33 -3.875 -2.293 9.949 1.00 61.42 O ATOM 515 CB VAL A 33 -4.318 -5.363 11.116 1.00 64.53 C ATOM 516 CG1 VAL A 33 -4.187 -4.469 12.343 1.00 63.11 C ATOM 517 CG2 VAL A 33 -5.319 -6.482 11.368 1.00 41.11 C ATOM 0 H VAL A 33 -4.523 -6.321 8.790 1.00 24.02 H new ATOM 0 HA VAL A 33 -5.693 -4.079 10.087 1.00 71.45 H new ATOM 0 HB VAL A 33 -3.345 -5.813 10.920 1.00 64.53 H new ATOM 0 HG11 VAL A 33 -3.898 -5.072 13.204 1.00 63.11 H new ATOM 0 HG12 VAL A 33 -3.426 -3.710 12.161 1.00 63.11 H new ATOM 0 HG13 VAL A 33 -5.142 -3.984 12.544 1.00 63.11 H new ATOM 0 HG21 VAL A 33 -5.014 -7.052 12.245 1.00 41.11 H new ATOM 0 HG22 VAL A 33 -6.307 -6.055 11.539 1.00 41.11 H new ATOM 0 HG23 VAL A 33 -5.354 -7.141 10.501 1.00 41.11 H new ATOM 527 N LEU A 34 -2.588 -3.868 8.985 1.00 34.33 N ATOM 528 CA LEU A 34 -1.541 -2.943 8.573 1.00 1.11 C ATOM 529 C LEU A 34 -2.094 -1.885 7.626 1.00 25.21 C ATOM 530 O LEU A 34 -1.857 -0.693 7.811 1.00 44.42 O ATOM 531 CB LEU A 34 -0.389 -3.701 7.910 1.00 42.12 C ATOM 532 CG LEU A 34 0.730 -4.128 8.859 1.00 30.54 C ATOM 533 CD1 LEU A 34 0.203 -5.009 9.983 1.00 41.02 C ATOM 534 CD2 LEU A 34 1.833 -4.845 8.101 1.00 72.11 C ATOM 0 H LEU A 34 -2.400 -4.843 8.750 1.00 34.33 H new ATOM 0 HA LEU A 34 -1.162 -2.440 9.463 1.00 1.11 H new ATOM 0 HB2 LEU A 34 -0.791 -4.589 7.422 1.00 42.12 H new ATOM 0 HB3 LEU A 34 0.037 -3.073 7.128 1.00 42.12 H new ATOM 0 HG LEU A 34 1.143 -3.224 9.307 1.00 30.54 H new ATOM 0 HD11 LEU A 34 1.026 -5.294 10.638 1.00 41.02 H new ATOM 0 HD12 LEU A 34 -0.544 -4.460 10.556 1.00 41.02 H new ATOM 0 HD13 LEU A 34 -0.251 -5.905 9.560 1.00 41.02 H new ATOM 0 HD21 LEU A 34 2.619 -5.140 8.796 1.00 72.11 H new ATOM 0 HD22 LEU A 34 1.425 -5.732 7.617 1.00 72.11 H new ATOM 0 HD23 LEU A 34 2.248 -4.178 7.345 1.00 72.11 H new ATOM 546 N LEU A 35 -2.834 -2.335 6.623 1.00 10.55 N ATOM 547 CA LEU A 35 -3.522 -1.436 5.692 1.00 2.14 C ATOM 548 C LEU A 35 -4.381 -0.417 6.435 1.00 35.13 C ATOM 549 O LEU A 35 -4.412 0.761 6.079 1.00 75.30 O ATOM 550 CB LEU A 35 -4.407 -2.231 4.727 1.00 24.45 C ATOM 551 CG LEU A 35 -3.676 -2.904 3.566 1.00 5.20 C ATOM 552 CD1 LEU A 35 -4.619 -3.824 2.807 1.00 52.23 C ATOM 553 CD2 LEU A 35 -3.104 -1.852 2.628 1.00 51.50 C ATOM 0 H LEU A 35 -2.977 -3.326 6.428 1.00 10.55 H new ATOM 0 HA LEU A 35 -2.754 -0.905 5.129 1.00 2.14 H new ATOM 0 HB2 LEU A 35 -4.935 -2.998 5.294 1.00 24.45 H new ATOM 0 HB3 LEU A 35 -5.162 -1.560 4.318 1.00 24.45 H new ATOM 0 HG LEU A 35 -2.858 -3.501 3.969 1.00 5.20 H new ATOM 0 HD11 LEU A 35 -4.083 -4.295 1.983 1.00 52.23 H new ATOM 0 HD12 LEU A 35 -4.998 -4.593 3.481 1.00 52.23 H new ATOM 0 HD13 LEU A 35 -5.453 -3.244 2.412 1.00 52.23 H new ATOM 0 HD21 LEU A 35 -2.585 -2.342 1.804 1.00 51.50 H new ATOM 0 HD22 LEU A 35 -3.913 -1.238 2.233 1.00 51.50 H new ATOM 0 HD23 LEU A 35 -2.403 -1.221 3.174 1.00 51.50 H new ATOM 565 N SER A 36 -5.074 -0.877 7.469 1.00 2.24 N ATOM 566 CA SER A 36 -5.953 -0.011 8.247 1.00 65.41 C ATOM 567 C SER A 36 -5.146 0.949 9.122 1.00 13.44 C ATOM 568 O SER A 36 -5.471 2.128 9.224 1.00 24.34 O ATOM 569 CB SER A 36 -6.895 -0.856 9.105 1.00 33.22 C ATOM 570 OG SER A 36 -7.606 -1.785 8.301 1.00 60.11 O ATOM 0 H SER A 36 -5.045 -1.845 7.789 1.00 2.24 H new ATOM 0 HA SER A 36 -6.546 0.587 7.555 1.00 65.41 H new ATOM 0 HB2 SER A 36 -6.324 -1.388 9.866 1.00 33.22 H new ATOM 0 HB3 SER A 36 -7.598 -0.208 9.629 1.00 33.22 H new ATOM 0 HG SER A 36 -7.006 -2.511 8.032 1.00 60.11 H new ATOM 576 N ALA A 37 -4.082 0.440 9.735 1.00 23.21 N ATOM 577 CA ALA A 37 -3.229 1.252 10.592 1.00 25.34 C ATOM 578 C ALA A 37 -2.548 2.351 9.786 1.00 2.34 C ATOM 579 O ALA A 37 -2.657 3.531 10.116 1.00 1.42 O ATOM 580 CB ALA A 37 -2.191 0.382 11.288 1.00 51.12 C ATOM 0 H ALA A 37 -3.790 -0.534 9.653 1.00 23.21 H new ATOM 0 HA ALA A 37 -3.854 1.721 11.352 1.00 25.34 H new ATOM 0 HB1 ALA A 37 -1.562 1.005 11.924 1.00 51.12 H new ATOM 0 HB2 ALA A 37 -2.695 -0.368 11.898 1.00 51.12 H new ATOM 0 HB3 ALA A 37 -1.572 -0.114 10.541 1.00 51.12 H new ATOM 586 N VAL A 38 -1.861 1.955 8.719 1.00 64.20 N ATOM 587 CA VAL A 38 -1.190 2.900 7.837 1.00 74.53 C ATOM 588 C VAL A 38 -2.200 3.858 7.207 1.00 73.43 C ATOM 589 O VAL A 38 -1.956 5.063 7.100 1.00 13.13 O ATOM 590 CB VAL A 38 -0.408 2.162 6.724 1.00 75.32 C ATOM 591 CG1 VAL A 38 0.197 3.143 5.730 1.00 51.13 C ATOM 592 CG2 VAL A 38 0.677 1.286 7.329 1.00 2.35 C ATOM 0 H VAL A 38 -1.755 0.978 8.444 1.00 64.20 H new ATOM 0 HA VAL A 38 -0.484 3.471 8.439 1.00 74.53 H new ATOM 0 HB VAL A 38 -1.112 1.528 6.185 1.00 75.32 H new ATOM 0 HG11 VAL A 38 0.740 2.593 4.961 1.00 51.13 H new ATOM 0 HG12 VAL A 38 -0.598 3.727 5.266 1.00 51.13 H new ATOM 0 HG13 VAL A 38 0.883 3.812 6.250 1.00 51.13 H new ATOM 0 HG21 VAL A 38 1.217 0.774 6.533 1.00 2.35 H new ATOM 0 HG22 VAL A 38 1.370 1.906 7.898 1.00 2.35 H new ATOM 0 HG23 VAL A 38 0.223 0.549 7.991 1.00 2.35 H new ATOM 602 N GLY A 39 -3.348 3.313 6.822 1.00 71.02 N ATOM 603 CA GLY A 39 -4.390 4.114 6.218 1.00 1.43 C ATOM 604 C GLY A 39 -4.928 5.169 7.158 1.00 23.03 C ATOM 605 O GLY A 39 -4.963 6.349 6.812 1.00 64.23 O ATOM 0 H GLY A 39 -3.574 2.323 6.919 1.00 71.02 H new ATOM 0 HA2 GLY A 39 -4.000 4.596 5.321 1.00 1.43 H new ATOM 0 HA3 GLY A 39 -5.206 3.464 5.901 1.00 1.43 H new ATOM 609 N ALA A 40 -5.321 4.744 8.357 1.00 42.44 N ATOM 610 CA ALA A 40 -5.915 5.640 9.347 1.00 5.53 C ATOM 611 C ALA A 40 -4.977 6.788 9.694 1.00 12.31 C ATOM 612 O ALA A 40 -5.423 7.896 9.986 1.00 61.22 O ATOM 613 CB ALA A 40 -6.290 4.867 10.602 1.00 52.21 C ATOM 0 H ALA A 40 -5.238 3.776 8.668 1.00 42.44 H new ATOM 0 HA ALA A 40 -6.818 6.067 8.910 1.00 5.53 H new ATOM 0 HB1 ALA A 40 -6.731 5.548 11.330 1.00 52.21 H new ATOM 0 HB2 ALA A 40 -7.011 4.090 10.349 1.00 52.21 H new ATOM 0 HB3 ALA A 40 -5.397 4.409 11.028 1.00 52.21 H new ATOM 619 N LEU A 41 -3.681 6.523 9.644 1.00 40.02 N ATOM 620 CA LEU A 41 -2.682 7.552 9.898 1.00 4.02 C ATOM 621 C LEU A 41 -2.776 8.653 8.847 1.00 61.35 C ATOM 622 O LEU A 41 -2.876 9.835 9.178 1.00 10.44 O ATOM 623 CB LEU A 41 -1.273 6.951 9.896 1.00 35.03 C ATOM 624 CG LEU A 41 -0.978 5.966 11.026 1.00 53.34 C ATOM 625 CD1 LEU A 41 0.415 5.385 10.867 1.00 40.43 C ATOM 626 CD2 LEU A 41 -1.120 6.646 12.380 1.00 52.04 C ATOM 0 H LEU A 41 -3.295 5.604 9.430 1.00 40.02 H new ATOM 0 HA LEU A 41 -2.878 7.980 10.881 1.00 4.02 H new ATOM 0 HB2 LEU A 41 -1.114 6.444 8.944 1.00 35.03 H new ATOM 0 HB3 LEU A 41 -0.549 7.765 9.948 1.00 35.03 H new ATOM 0 HG LEU A 41 -1.702 5.153 10.974 1.00 53.34 H new ATOM 0 HD11 LEU A 41 0.612 4.685 11.679 1.00 40.43 H new ATOM 0 HD12 LEU A 41 0.485 4.863 9.913 1.00 40.43 H new ATOM 0 HD13 LEU A 41 1.150 6.189 10.895 1.00 40.43 H new ATOM 0 HD21 LEU A 41 -0.906 5.928 13.172 1.00 52.04 H new ATOM 0 HD22 LEU A 41 -0.418 7.478 12.445 1.00 52.04 H new ATOM 0 HD23 LEU A 41 -2.137 7.020 12.494 1.00 52.04 H new ATOM 638 N LEU A 42 -2.767 8.248 7.582 1.00 52.21 N ATOM 639 CA LEU A 42 -2.841 9.188 6.470 1.00 73.44 C ATOM 640 C LEU A 42 -4.212 9.854 6.419 1.00 63.32 C ATOM 641 O LEU A 42 -4.328 11.042 6.101 1.00 42.54 O ATOM 642 CB LEU A 42 -2.550 8.472 5.149 1.00 33.32 C ATOM 643 CG LEU A 42 -1.181 7.789 5.070 1.00 45.21 C ATOM 644 CD1 LEU A 42 -1.021 7.072 3.740 1.00 2.13 C ATOM 645 CD2 LEU A 42 -0.063 8.803 5.267 1.00 60.03 C ATOM 0 H LEU A 42 -2.709 7.269 7.300 1.00 52.21 H new ATOM 0 HA LEU A 42 -2.088 9.961 6.623 1.00 73.44 H new ATOM 0 HB2 LEU A 42 -3.323 7.722 4.982 1.00 33.32 H new ATOM 0 HB3 LEU A 42 -2.626 9.195 4.337 1.00 33.32 H new ATOM 0 HG LEU A 42 -1.119 7.051 5.870 1.00 45.21 H new ATOM 0 HD11 LEU A 42 -0.043 6.592 3.701 1.00 2.13 H new ATOM 0 HD12 LEU A 42 -1.800 6.317 3.638 1.00 2.13 H new ATOM 0 HD13 LEU A 42 -1.105 7.792 2.926 1.00 2.13 H new ATOM 0 HD21 LEU A 42 0.901 8.298 5.207 1.00 60.03 H new ATOM 0 HD22 LEU A 42 -0.122 9.565 4.490 1.00 60.03 H new ATOM 0 HD23 LEU A 42 -0.166 9.273 6.245 1.00 60.03 H new ATOM 657 N ASP A 43 -5.248 9.087 6.740 1.00 41.33 N ATOM 658 CA ASP A 43 -6.607 9.618 6.792 1.00 32.53 C ATOM 659 C ASP A 43 -6.729 10.664 7.888 1.00 24.32 C ATOM 660 O ASP A 43 -7.268 11.748 7.668 1.00 2.21 O ATOM 661 CB ASP A 43 -7.633 8.505 7.038 1.00 71.01 C ATOM 662 CG ASP A 43 -7.806 7.576 5.853 1.00 32.42 C ATOM 663 OD1 ASP A 43 -7.960 8.070 4.722 1.00 53.24 O ATOM 664 OD2 ASP A 43 -7.808 6.342 6.051 1.00 61.32 O ATOM 0 H ASP A 43 -5.174 8.096 6.968 1.00 41.33 H new ATOM 0 HA ASP A 43 -6.815 10.077 5.825 1.00 32.53 H new ATOM 0 HB2 ASP A 43 -7.325 7.922 7.906 1.00 71.01 H new ATOM 0 HB3 ASP A 43 -8.595 8.955 7.282 1.00 71.01 H new ATOM 669 N GLY A 44 -6.208 10.332 9.065 1.00 22.55 N ATOM 670 CA GLY A 44 -6.268 11.237 10.198 1.00 40.52 C ATOM 671 C GLY A 44 -5.464 12.501 9.986 1.00 62.51 C ATOM 672 O GLY A 44 -5.868 13.582 10.409 1.00 43.24 O ATOM 0 H GLY A 44 -5.742 9.445 9.255 1.00 22.55 H new ATOM 0 HA2 GLY A 44 -7.308 11.502 10.390 1.00 40.52 H new ATOM 0 HA3 GLY A 44 -5.900 10.723 11.086 1.00 40.52 H new ATOM 676 N ALA A 45 -4.319 12.372 9.326 1.00 22.30 N ATOM 677 CA ALA A 45 -3.469 13.521 9.036 1.00 1.32 C ATOM 678 C ALA A 45 -4.071 14.373 7.927 1.00 74.52 C ATOM 679 O ALA A 45 -3.613 15.488 7.662 1.00 73.44 O ATOM 680 CB ALA A 45 -2.074 13.060 8.654 1.00 74.30 C ATOM 0 H ALA A 45 -3.957 11.483 8.981 1.00 22.30 H new ATOM 0 HA ALA A 45 -3.401 14.133 9.935 1.00 1.32 H new ATOM 0 HB1 ALA A 45 -1.450 13.928 8.440 1.00 74.30 H new ATOM 0 HB2 ALA A 45 -1.639 12.495 9.478 1.00 74.30 H new ATOM 0 HB3 ALA A 45 -2.130 12.426 7.769 1.00 74.30 H new ATOM 686 N ASP A 46 -5.102 13.820 7.286 1.00 3.22 N ATOM 687 CA ASP A 46 -5.838 14.487 6.215 1.00 24.23 C ATOM 688 C ASP A 46 -4.978 14.594 4.956 1.00 62.40 C ATOM 689 O ASP A 46 -5.200 15.445 4.095 1.00 33.32 O ATOM 690 CB ASP A 46 -6.329 15.868 6.667 1.00 34.20 C ATOM 691 CG ASP A 46 -7.350 16.459 5.719 1.00 0.50 C ATOM 692 OD1 ASP A 46 -8.417 15.834 5.533 1.00 52.12 O ATOM 693 OD2 ASP A 46 -7.106 17.556 5.175 1.00 63.21 O ATOM 0 H ASP A 46 -5.452 12.886 7.500 1.00 3.22 H new ATOM 0 HA ASP A 46 -6.714 13.884 5.975 1.00 24.23 H new ATOM 0 HB2 ASP A 46 -6.766 15.787 7.662 1.00 34.20 H new ATOM 0 HB3 ASP A 46 -5.478 16.544 6.747 1.00 34.20 H new ATOM 698 N ILE A 47 -4.000 13.704 4.850 1.00 45.33 N ATOM 699 CA ILE A 47 -3.145 13.646 3.672 1.00 34.13 C ATOM 700 C ILE A 47 -3.916 13.032 2.516 1.00 60.01 C ATOM 701 O ILE A 47 -3.820 13.480 1.370 1.00 1.44 O ATOM 702 CB ILE A 47 -1.867 12.816 3.940 1.00 23.40 C ATOM 703 CG1 ILE A 47 -1.087 13.403 5.118 1.00 71.14 C ATOM 704 CG2 ILE A 47 -0.987 12.761 2.696 1.00 2.22 C ATOM 705 CD1 ILE A 47 0.151 12.613 5.493 1.00 23.40 C ATOM 0 H ILE A 47 -3.779 13.012 5.566 1.00 45.33 H new ATOM 0 HA ILE A 47 -2.842 14.663 3.423 1.00 34.13 H new ATOM 0 HB ILE A 47 -2.167 11.799 4.192 1.00 23.40 H new ATOM 0 HG12 ILE A 47 -0.794 14.424 4.874 1.00 71.14 H new ATOM 0 HG13 ILE A 47 -1.746 13.459 5.985 1.00 71.14 H new ATOM 0 HG21 ILE A 47 -0.094 12.172 2.908 1.00 2.22 H new ATOM 0 HG22 ILE A 47 -1.541 12.299 1.879 1.00 2.22 H new ATOM 0 HG23 ILE A 47 -0.696 13.772 2.411 1.00 2.22 H new ATOM 0 HD11 ILE A 47 0.648 13.094 6.336 1.00 23.40 H new ATOM 0 HD12 ILE A 47 -0.135 11.599 5.771 1.00 23.40 H new ATOM 0 HD13 ILE A 47 0.832 12.578 4.642 1.00 23.40 H new ATOM 717 N GLY A 48 -4.703 12.023 2.845 1.00 0.11 N ATOM 718 CA GLY A 48 -5.491 11.324 1.849 1.00 53.32 C ATOM 719 C GLY A 48 -4.676 10.296 1.099 1.00 44.14 C ATOM 720 O GLY A 48 -3.793 10.643 0.313 1.00 70.21 O ATOM 0 H GLY A 48 -4.813 11.670 3.796 1.00 0.11 H new ATOM 0 HA2 GLY A 48 -6.335 10.833 2.334 1.00 53.32 H new ATOM 0 HA3 GLY A 48 -5.904 12.044 1.143 1.00 53.32 H new ATOM 724 N HIS A 49 -4.967 9.028 1.333 1.00 13.22 N ATOM 725 CA HIS A 49 -4.214 7.955 0.701 1.00 53.14 C ATOM 726 C HIS A 49 -4.864 7.534 -0.605 1.00 60.51 C ATOM 727 O HIS A 49 -6.076 7.659 -0.775 1.00 34.05 O ATOM 728 CB HIS A 49 -4.075 6.735 1.632 1.00 53.12 C ATOM 729 CG HIS A 49 -5.370 6.175 2.163 1.00 42.11 C ATOM 730 ND1 HIS A 49 -6.470 5.894 1.377 1.00 1.44 N ATOM 731 CD2 HIS A 49 -5.724 5.839 3.423 1.00 1.13 C ATOM 732 CE1 HIS A 49 -7.437 5.413 2.136 1.00 33.50 C ATOM 733 NE2 HIS A 49 -7.010 5.372 3.382 1.00 41.51 N ATOM 0 H HIS A 49 -5.715 8.716 1.952 1.00 13.22 H new ATOM 0 HA HIS A 49 -3.216 8.342 0.493 1.00 53.14 H new ATOM 0 HB2 HIS A 49 -3.552 5.946 1.092 1.00 53.12 H new ATOM 0 HB3 HIS A 49 -3.446 7.014 2.477 1.00 53.12 H new ATOM 0 HD1 HIS A 49 -6.526 6.036 0.368 1.00 1.44 H new ATOM 0 HD2 HIS A 49 -5.104 5.924 4.303 1.00 1.13 H new ATOM 0 HE1 HIS A 49 -8.414 5.105 1.793 1.00 33.50 H new ATOM 742 N LEU A 50 -4.051 7.058 -1.526 1.00 4.32 N ATOM 743 CA LEU A 50 -4.551 6.437 -2.734 1.00 44.00 C ATOM 744 C LEU A 50 -4.171 4.964 -2.721 1.00 65.35 C ATOM 745 O LEU A 50 -3.112 4.580 -3.214 1.00 64.43 O ATOM 746 CB LEU A 50 -3.980 7.129 -3.980 1.00 22.40 C ATOM 747 CG LEU A 50 -4.581 6.676 -5.314 1.00 63.22 C ATOM 748 CD1 LEU A 50 -6.047 7.077 -5.396 1.00 71.13 C ATOM 749 CD2 LEU A 50 -3.794 7.258 -6.481 1.00 50.35 C ATOM 0 H LEU A 50 -3.034 7.090 -1.459 1.00 4.32 H new ATOM 0 HA LEU A 50 -5.636 6.536 -2.769 1.00 44.00 H new ATOM 0 HB2 LEU A 50 -4.130 8.204 -3.879 1.00 22.40 H new ATOM 0 HB3 LEU A 50 -2.904 6.959 -4.009 1.00 22.40 H new ATOM 0 HG LEU A 50 -4.519 5.589 -5.373 1.00 63.22 H new ATOM 0 HD11 LEU A 50 -6.461 6.749 -6.349 1.00 71.13 H new ATOM 0 HD12 LEU A 50 -6.598 6.609 -4.580 1.00 71.13 H new ATOM 0 HD13 LEU A 50 -6.133 8.161 -5.317 1.00 71.13 H new ATOM 0 HD21 LEU A 50 -4.236 6.925 -7.420 1.00 50.35 H new ATOM 0 HD22 LEU A 50 -3.823 8.347 -6.432 1.00 50.35 H new ATOM 0 HD23 LEU A 50 -2.759 6.920 -6.427 1.00 50.35 H new ATOM 761 N VAL A 51 -5.018 4.149 -2.113 1.00 62.01 N ATOM 762 CA VAL A 51 -4.731 2.726 -1.967 1.00 23.42 C ATOM 763 C VAL A 51 -5.405 1.919 -3.072 1.00 53.15 C ATOM 764 O VAL A 51 -6.176 0.989 -2.814 1.00 54.55 O ATOM 765 CB VAL A 51 -5.137 2.187 -0.571 1.00 3.12 C ATOM 766 CG1 VAL A 51 -4.151 2.663 0.481 1.00 42.44 C ATOM 767 CG2 VAL A 51 -6.547 2.620 -0.196 1.00 3.44 C ATOM 0 H VAL A 51 -5.908 4.445 -1.713 1.00 62.01 H new ATOM 0 HA VAL A 51 -3.651 2.608 -2.058 1.00 23.42 H new ATOM 0 HB VAL A 51 -5.119 1.098 -0.616 1.00 3.12 H new ATOM 0 HG11 VAL A 51 -4.446 2.278 1.457 1.00 42.44 H new ATOM 0 HG12 VAL A 51 -3.153 2.300 0.235 1.00 42.44 H new ATOM 0 HG13 VAL A 51 -4.145 3.753 0.507 1.00 42.44 H new ATOM 0 HG21 VAL A 51 -6.799 2.225 0.788 1.00 3.44 H new ATOM 0 HG22 VAL A 51 -6.600 3.709 -0.175 1.00 3.44 H new ATOM 0 HG23 VAL A 51 -7.253 2.237 -0.933 1.00 3.44 H new ATOM 999 N PRO A 67 -1.397 -7.720 -3.683 1.00 24.31 N ATOM 1000 CA PRO A 67 -0.949 -6.806 -2.632 1.00 74.40 C ATOM 1001 C PRO A 67 -1.349 -5.362 -2.926 1.00 40.20 C ATOM 1002 O PRO A 67 -0.881 -4.762 -3.898 1.00 74.23 O ATOM 1003 CB PRO A 67 0.585 -6.951 -2.639 1.00 15.20 C ATOM 1004 CG PRO A 67 0.877 -8.118 -3.526 1.00 2.00 C ATOM 1005 CD PRO A 67 -0.272 -8.209 -4.487 1.00 20.42 C ATOM 0 HA PRO A 67 -1.399 -7.045 -1.668 1.00 74.40 H new ATOM 0 HB2 PRO A 67 1.062 -6.045 -3.014 1.00 15.20 H new ATOM 0 HB3 PRO A 67 0.967 -7.119 -1.632 1.00 15.20 H new ATOM 0 HG2 PRO A 67 1.819 -7.978 -4.057 1.00 2.00 H new ATOM 0 HG3 PRO A 67 0.972 -9.035 -2.945 1.00 2.00 H new ATOM 0 HD2 PRO A 67 -0.110 -7.596 -5.373 1.00 20.42 H new ATOM 0 HD3 PRO A 67 -0.433 -9.230 -4.832 1.00 20.42 H new ATOM 1013 N ARG A 68 -2.229 -4.816 -2.099 1.00 63.53 N ATOM 1014 CA ARG A 68 -2.675 -3.442 -2.266 1.00 24.41 C ATOM 1015 C ARG A 68 -1.536 -2.476 -1.953 1.00 74.22 C ATOM 1016 O ARG A 68 -0.768 -2.689 -1.012 1.00 41.44 O ATOM 1017 CB ARG A 68 -3.880 -3.159 -1.362 1.00 53.45 C ATOM 1018 CG ARG A 68 -4.501 -1.788 -1.586 1.00 74.23 C ATOM 1019 CD ARG A 68 -5.730 -1.566 -0.712 1.00 64.14 C ATOM 1020 NE ARG A 68 -6.779 -2.556 -0.961 1.00 1.23 N ATOM 1021 CZ ARG A 68 -7.909 -2.298 -1.617 1.00 33.05 C ATOM 1022 NH1 ARG A 68 -8.134 -1.092 -2.134 1.00 51.22 N ATOM 1023 NH2 ARG A 68 -8.816 -3.253 -1.762 1.00 32.32 N ATOM 0 H ARG A 68 -2.647 -5.304 -1.307 1.00 63.53 H new ATOM 0 HA ARG A 68 -2.979 -3.297 -3.303 1.00 24.41 H new ATOM 0 HB2 ARG A 68 -4.638 -3.924 -1.531 1.00 53.45 H new ATOM 0 HB3 ARG A 68 -3.570 -3.242 -0.320 1.00 53.45 H new ATOM 0 HG2 ARG A 68 -3.761 -1.016 -1.373 1.00 74.23 H new ATOM 0 HG3 ARG A 68 -4.779 -1.683 -2.635 1.00 74.23 H new ATOM 0 HD2 ARG A 68 -5.438 -1.606 0.337 1.00 64.14 H new ATOM 0 HD3 ARG A 68 -6.126 -0.567 -0.894 1.00 64.14 H new ATOM 0 HE ARG A 68 -6.636 -3.503 -0.610 1.00 1.23 H new ATOM 0 HH11 ARG A 68 -7.437 -0.354 -2.030 1.00 51.22 H new ATOM 0 HH12 ARG A 68 -9.003 -0.906 -2.634 1.00 51.22 H new ATOM 0 HH21 ARG A 68 -8.647 -4.180 -1.372 1.00 32.32 H new ATOM 0 HH22 ARG A 68 -9.683 -3.061 -2.263 1.00 32.32 H new ATOM 1037 N ARG A 69 -1.428 -1.422 -2.748 1.00 0.31 N ATOM 1038 CA ARG A 69 -0.342 -0.468 -2.607 1.00 31.42 C ATOM 1039 C ARG A 69 -0.884 0.889 -2.172 1.00 20.52 C ATOM 1040 O ARG A 69 -2.049 1.205 -2.408 1.00 21.55 O ATOM 1041 CB ARG A 69 0.411 -0.327 -3.934 1.00 51.13 C ATOM 1042 CG ARG A 69 0.728 -1.659 -4.594 1.00 74.30 C ATOM 1043 CD ARG A 69 1.445 -1.469 -5.917 1.00 2.11 C ATOM 1044 NE ARG A 69 1.437 -2.687 -6.723 1.00 10.54 N ATOM 1045 CZ ARG A 69 2.256 -2.910 -7.742 1.00 13.34 C ATOM 1046 NH1 ARG A 69 3.197 -2.029 -8.058 1.00 34.33 N ATOM 1047 NH2 ARG A 69 2.132 -4.017 -8.453 1.00 5.24 N ATOM 0 H ARG A 69 -2.083 -1.207 -3.500 1.00 0.31 H new ATOM 0 HA ARG A 69 0.346 -0.834 -1.845 1.00 31.42 H new ATOM 0 HB2 ARG A 69 -0.185 0.276 -4.619 1.00 51.13 H new ATOM 0 HB3 ARG A 69 1.341 0.214 -3.759 1.00 51.13 H new ATOM 0 HG2 ARG A 69 1.347 -2.258 -3.927 1.00 74.30 H new ATOM 0 HG3 ARG A 69 -0.196 -2.214 -4.756 1.00 74.30 H new ATOM 0 HD2 ARG A 69 0.969 -0.662 -6.475 1.00 2.11 H new ATOM 0 HD3 ARG A 69 2.475 -1.164 -5.731 1.00 2.11 H new ATOM 0 HE ARG A 69 0.759 -3.412 -6.487 1.00 10.54 H new ATOM 0 HH11 ARG A 69 3.295 -1.171 -7.515 1.00 34.33 H new ATOM 0 HH12 ARG A 69 3.822 -2.210 -8.844 1.00 34.33 H new ATOM 0 HH21 ARG A 69 1.408 -4.696 -8.217 1.00 5.24 H new ATOM 0 HH22 ARG A 69 2.760 -4.192 -9.238 1.00 5.24 H new ATOM 1061 N VAL A 70 -0.039 1.678 -1.531 1.00 40.04 N ATOM 1062 CA VAL A 70 -0.430 3.003 -1.069 1.00 22.04 C ATOM 1063 C VAL A 70 0.329 4.078 -1.838 1.00 70.05 C ATOM 1064 O VAL A 70 1.557 4.097 -1.827 1.00 34.32 O ATOM 1065 CB VAL A 70 -0.148 3.179 0.438 1.00 72.42 C ATOM 1066 CG1 VAL A 70 -0.695 4.507 0.939 1.00 42.13 C ATOM 1067 CG2 VAL A 70 -0.733 2.025 1.237 1.00 42.21 C ATOM 0 H VAL A 70 0.926 1.425 -1.317 1.00 40.04 H new ATOM 0 HA VAL A 70 -1.501 3.105 -1.244 1.00 22.04 H new ATOM 0 HB VAL A 70 0.933 3.179 0.580 1.00 72.42 H new ATOM 0 HG11 VAL A 70 -0.484 4.609 2.004 1.00 42.13 H new ATOM 0 HG12 VAL A 70 -0.221 5.324 0.395 1.00 42.13 H new ATOM 0 HG13 VAL A 70 -1.772 4.541 0.777 1.00 42.13 H new ATOM 0 HG21 VAL A 70 -0.521 2.172 2.296 1.00 42.21 H new ATOM 0 HG22 VAL A 70 -1.812 1.987 1.084 1.00 42.21 H new ATOM 0 HG23 VAL A 70 -0.286 1.088 0.904 1.00 42.21 H new ATOM 1077 N LEU A 71 -0.395 4.954 -2.517 1.00 41.01 N ATOM 1078 CA LEU A 71 0.227 6.050 -3.249 1.00 62.24 C ATOM 1079 C LEU A 71 -0.164 7.396 -2.646 1.00 23.51 C ATOM 1080 O LEU A 71 -1.291 7.572 -2.184 1.00 55.34 O ATOM 1081 CB LEU A 71 -0.167 6.023 -4.735 1.00 1.55 C ATOM 1082 CG LEU A 71 0.411 4.872 -5.572 1.00 64.24 C ATOM 1083 CD1 LEU A 71 -0.283 3.554 -5.260 1.00 40.24 C ATOM 1084 CD2 LEU A 71 0.304 5.189 -7.055 1.00 21.11 C ATOM 0 H LEU A 71 -1.413 4.929 -2.577 1.00 41.01 H new ATOM 0 HA LEU A 71 1.306 5.921 -3.170 1.00 62.24 H new ATOM 0 HB2 LEU A 71 -1.254 5.981 -4.800 1.00 1.55 H new ATOM 0 HB3 LEU A 71 0.143 6.965 -5.188 1.00 1.55 H new ATOM 0 HG LEU A 71 1.463 4.765 -5.309 1.00 64.24 H new ATOM 0 HD11 LEU A 71 0.151 2.761 -5.870 1.00 40.24 H new ATOM 0 HD12 LEU A 71 -0.151 3.314 -4.205 1.00 40.24 H new ATOM 0 HD13 LEU A 71 -1.347 3.642 -5.482 1.00 40.24 H new ATOM 0 HD21 LEU A 71 0.718 4.364 -7.634 1.00 21.11 H new ATOM 0 HD22 LEU A 71 -0.743 5.331 -7.322 1.00 21.11 H new ATOM 0 HD23 LEU A 71 0.861 6.100 -7.273 1.00 21.11 H new ATOM 1096 N VAL A 72 0.780 8.334 -2.642 1.00 1.24 N ATOM 1097 CA VAL A 72 0.526 9.706 -2.191 1.00 10.20 C ATOM 1098 C VAL A 72 1.293 10.696 -3.064 1.00 62.42 C ATOM 1099 O VAL A 72 2.250 10.317 -3.741 1.00 61.43 O ATOM 1100 CB VAL A 72 0.928 9.939 -0.713 1.00 52.22 C ATOM 1101 CG1 VAL A 72 0.006 9.182 0.234 1.00 74.23 C ATOM 1102 CG2 VAL A 72 2.377 9.536 -0.477 1.00 64.21 C ATOM 0 H VAL A 72 1.739 8.169 -2.949 1.00 1.24 H new ATOM 0 HA VAL A 72 -0.549 9.863 -2.277 1.00 10.20 H new ATOM 0 HB VAL A 72 0.826 11.004 -0.506 1.00 52.22 H new ATOM 0 HG11 VAL A 72 0.313 9.365 1.264 1.00 74.23 H new ATOM 0 HG12 VAL A 72 -1.019 9.524 0.095 1.00 74.23 H new ATOM 0 HG13 VAL A 72 0.064 8.114 0.022 1.00 74.23 H new ATOM 0 HG21 VAL A 72 2.637 9.708 0.567 1.00 64.21 H new ATOM 0 HG22 VAL A 72 2.504 8.479 -0.713 1.00 64.21 H new ATOM 0 HG23 VAL A 72 3.029 10.131 -1.116 1.00 64.21 H new ATOM 1112 N HIS A 73 0.881 11.958 -3.050 1.00 72.33 N ATOM 1113 CA HIS A 73 1.559 12.977 -3.848 1.00 31.21 C ATOM 1114 C HIS A 73 2.924 13.328 -3.255 1.00 34.40 C ATOM 1115 O HIS A 73 3.096 13.377 -2.034 1.00 53.43 O ATOM 1116 CB HIS A 73 0.689 14.231 -4.045 1.00 74.31 C ATOM 1117 CG HIS A 73 0.013 14.756 -2.811 1.00 25.14 C ATOM 1118 ND1 HIS A 73 -1.355 14.842 -2.698 1.00 64.54 N ATOM 1119 CD2 HIS A 73 0.514 15.267 -1.667 1.00 64.41 C ATOM 1120 CE1 HIS A 73 -1.667 15.386 -1.539 1.00 52.43 C ATOM 1121 NE2 HIS A 73 -0.549 15.658 -0.886 1.00 64.14 N ATOM 0 H HIS A 73 0.091 12.299 -2.503 1.00 72.33 H new ATOM 0 HA HIS A 73 1.727 12.551 -4.837 1.00 31.21 H new ATOM 0 HB2 HIS A 73 1.314 15.022 -4.459 1.00 74.31 H new ATOM 0 HB3 HIS A 73 -0.076 14.007 -4.788 1.00 74.31 H new ATOM 0 HD2 HIS A 73 1.560 15.353 -1.411 1.00 64.41 H new ATOM 0 HE1 HIS A 73 -2.668 15.578 -1.182 1.00 52.43 H new ATOM 0 HE2 HIS A 73 -0.486 16.085 0.038 1.00 64.14 H new ATOM 1130 N GLU A 74 3.877 13.578 -4.146 1.00 30.12 N ATOM 1131 CA GLU A 74 5.291 13.724 -3.800 1.00 63.23 C ATOM 1132 C GLU A 74 5.543 14.816 -2.772 1.00 32.34 C ATOM 1133 O GLU A 74 6.410 14.672 -1.906 1.00 32.11 O ATOM 1134 CB GLU A 74 6.084 14.052 -5.059 1.00 50.23 C ATOM 1135 CG GLU A 74 7.584 13.920 -4.896 1.00 13.43 C ATOM 1136 CD GLU A 74 8.333 14.244 -6.169 1.00 1.41 C ATOM 1137 OE1 GLU A 74 8.382 13.384 -7.072 1.00 52.45 O ATOM 1138 OE2 GLU A 74 8.894 15.357 -6.265 1.00 51.11 O ATOM 0 H GLU A 74 3.689 13.687 -5.143 1.00 30.12 H new ATOM 0 HA GLU A 74 5.609 12.778 -3.361 1.00 63.23 H new ATOM 0 HB2 GLU A 74 5.757 13.393 -5.863 1.00 50.23 H new ATOM 0 HB3 GLU A 74 5.851 15.071 -5.367 1.00 50.23 H new ATOM 0 HG2 GLU A 74 7.920 14.585 -4.101 1.00 13.43 H new ATOM 0 HG3 GLU A 74 7.825 12.904 -4.585 1.00 13.43 H new ATOM 1145 N ASP A 75 4.792 15.903 -2.870 1.00 23.50 N ATOM 1146 CA ASP A 75 5.054 17.087 -2.065 1.00 2.33 C ATOM 1147 C ASP A 75 4.869 16.826 -0.572 1.00 43.32 C ATOM 1148 O ASP A 75 5.390 17.573 0.254 1.00 63.02 O ATOM 1149 CB ASP A 75 4.164 18.257 -2.497 1.00 35.12 C ATOM 1150 CG ASP A 75 2.692 18.013 -2.230 1.00 40.20 C ATOM 1151 OD1 ASP A 75 2.220 18.344 -1.122 1.00 61.31 O ATOM 1152 OD2 ASP A 75 2.003 17.491 -3.130 1.00 55.31 O ATOM 0 H ASP A 75 3.995 15.990 -3.500 1.00 23.50 H new ATOM 0 HA ASP A 75 6.099 17.348 -2.234 1.00 2.33 H new ATOM 0 HB2 ASP A 75 4.478 19.159 -1.971 1.00 35.12 H new ATOM 0 HB3 ASP A 75 4.308 18.442 -3.561 1.00 35.12 H new ATOM 1157 N ASP A 76 4.154 15.763 -0.221 1.00 22.13 N ATOM 1158 CA ASP A 76 3.867 15.486 1.178 1.00 64.43 C ATOM 1159 C ASP A 76 4.490 14.167 1.608 1.00 64.52 C ATOM 1160 O ASP A 76 4.157 13.621 2.661 1.00 11.14 O ATOM 1161 CB ASP A 76 2.361 15.459 1.423 1.00 51.55 C ATOM 1162 CG ASP A 76 1.990 16.118 2.737 1.00 14.11 C ATOM 1163 OD1 ASP A 76 2.482 17.237 2.999 1.00 73.13 O ATOM 1164 OD2 ASP A 76 1.214 15.526 3.515 1.00 52.34 O ATOM 0 H ASP A 76 3.767 15.087 -0.879 1.00 22.13 H new ATOM 0 HA ASP A 76 4.305 16.286 1.775 1.00 64.43 H new ATOM 0 HB2 ASP A 76 1.851 15.968 0.605 1.00 51.55 H new ATOM 0 HB3 ASP A 76 2.012 14.426 1.423 1.00 51.55 H new ATOM 1169 N LEU A 77 5.415 13.670 0.789 1.00 3.30 N ATOM 1170 CA LEU A 77 6.141 12.442 1.095 1.00 54.43 C ATOM 1171 C LEU A 77 6.892 12.582 2.413 1.00 50.22 C ATOM 1172 O LEU A 77 6.908 11.656 3.224 1.00 20.21 O ATOM 1173 CB LEU A 77 7.129 12.105 -0.025 1.00 25.35 C ATOM 1174 CG LEU A 77 6.800 10.850 -0.842 1.00 42.05 C ATOM 1175 CD1 LEU A 77 6.756 9.621 0.057 1.00 4.44 C ATOM 1176 CD2 LEU A 77 5.483 11.018 -1.586 1.00 12.25 C ATOM 0 H LEU A 77 5.679 14.103 -0.096 1.00 3.30 H new ATOM 0 HA LEU A 77 5.415 11.634 1.181 1.00 54.43 H new ATOM 0 HB2 LEU A 77 7.184 12.955 -0.705 1.00 25.35 H new ATOM 0 HB3 LEU A 77 8.120 11.982 0.413 1.00 25.35 H new ATOM 0 HG LEU A 77 7.590 10.708 -1.579 1.00 42.05 H new ATOM 0 HD11 LEU A 77 6.521 8.741 -0.541 1.00 4.44 H new ATOM 0 HD12 LEU A 77 7.726 9.486 0.536 1.00 4.44 H new ATOM 0 HD13 LEU A 77 5.990 9.756 0.820 1.00 4.44 H new ATOM 0 HD21 LEU A 77 5.271 10.115 -2.158 1.00 12.25 H new ATOM 0 HD22 LEU A 77 4.680 11.191 -0.870 1.00 12.25 H new ATOM 0 HD23 LEU A 77 5.554 11.869 -2.264 1.00 12.25 H new ATOM 1188 N ALA A 78 7.493 13.750 2.618 1.00 75.22 N ATOM 1189 CA ALA A 78 8.249 14.030 3.831 1.00 4.25 C ATOM 1190 C ALA A 78 7.378 13.869 5.073 1.00 74.33 C ATOM 1191 O ALA A 78 7.819 13.323 6.086 1.00 35.35 O ATOM 1192 CB ALA A 78 8.835 15.432 3.772 1.00 25.53 C ATOM 0 H ALA A 78 7.470 14.523 1.953 1.00 75.22 H new ATOM 0 HA ALA A 78 9.063 13.309 3.897 1.00 4.25 H new ATOM 0 HB1 ALA A 78 9.398 15.630 4.684 1.00 25.53 H new ATOM 0 HB2 ALA A 78 9.499 15.513 2.911 1.00 25.53 H new ATOM 0 HB3 ALA A 78 8.029 16.160 3.678 1.00 25.53 H new ATOM 1198 N GLY A 79 6.135 14.325 4.981 1.00 44.11 N ATOM 1199 CA GLY A 79 5.232 14.241 6.114 1.00 61.13 C ATOM 1200 C GLY A 79 4.761 12.826 6.368 1.00 3.32 C ATOM 1201 O GLY A 79 4.805 12.337 7.503 1.00 34.32 O ATOM 0 H GLY A 79 5.736 14.751 4.144 1.00 44.11 H new ATOM 0 HA2 GLY A 79 5.733 14.620 7.004 1.00 61.13 H new ATOM 0 HA3 GLY A 79 4.369 14.883 5.937 1.00 61.13 H new ATOM 1205 N ALA A 80 4.339 12.155 5.308 1.00 15.44 N ATOM 1206 CA ALA A 80 3.817 10.799 5.417 1.00 21.42 C ATOM 1207 C ALA A 80 4.878 9.824 5.923 1.00 53.12 C ATOM 1208 O ALA A 80 4.587 8.975 6.765 1.00 65.55 O ATOM 1209 CB ALA A 80 3.263 10.333 4.079 1.00 12.42 C ATOM 0 H ALA A 80 4.347 12.528 4.359 1.00 15.44 H new ATOM 0 HA ALA A 80 3.009 10.816 6.148 1.00 21.42 H new ATOM 0 HB1 ALA A 80 2.877 9.318 4.178 1.00 12.42 H new ATOM 0 HB2 ALA A 80 2.458 10.998 3.767 1.00 12.42 H new ATOM 0 HB3 ALA A 80 4.056 10.348 3.332 1.00 12.42 H new ATOM 1215 N ARG A 81 6.108 9.952 5.424 1.00 5.53 N ATOM 1216 CA ARG A 81 7.192 9.064 5.839 1.00 23.44 C ATOM 1217 C ARG A 81 7.417 9.148 7.342 1.00 75.51 C ATOM 1218 O ARG A 81 7.497 8.125 8.021 1.00 23.32 O ATOM 1219 CB ARG A 81 8.494 9.390 5.109 1.00 63.21 C ATOM 1220 CG ARG A 81 8.483 9.026 3.634 1.00 12.11 C ATOM 1221 CD ARG A 81 9.837 9.276 2.997 1.00 54.43 C ATOM 1222 NE ARG A 81 10.883 8.445 3.594 1.00 3.53 N ATOM 1223 CZ ARG A 81 12.183 8.598 3.347 1.00 44.20 C ATOM 1224 NH1 ARG A 81 12.605 9.630 2.620 1.00 22.32 N ATOM 1225 NH2 ARG A 81 13.063 7.752 3.865 1.00 74.42 N ATOM 0 H ARG A 81 6.376 10.657 4.737 1.00 5.53 H new ATOM 0 HA ARG A 81 6.893 8.049 5.578 1.00 23.44 H new ATOM 0 HB2 ARG A 81 8.697 10.456 5.208 1.00 63.21 H new ATOM 0 HB3 ARG A 81 9.314 8.863 5.597 1.00 63.21 H new ATOM 0 HG2 ARG A 81 8.212 7.977 3.518 1.00 12.11 H new ATOM 0 HG3 ARG A 81 7.722 9.611 3.118 1.00 12.11 H new ATOM 0 HD2 ARG A 81 9.778 9.073 1.928 1.00 54.43 H new ATOM 0 HD3 ARG A 81 10.102 10.328 3.108 1.00 54.43 H new ATOM 0 HE ARG A 81 10.600 7.705 4.237 1.00 3.53 H new ATOM 0 HH11 ARG A 81 11.933 10.303 2.252 1.00 22.32 H new ATOM 0 HH12 ARG A 81 13.600 9.747 2.431 1.00 22.32 H new ATOM 0 HH21 ARG A 81 12.745 6.982 4.454 1.00 74.42 H new ATOM 0 HH22 ARG A 81 14.058 7.871 3.675 1.00 74.42 H new ATOM 1239 N ARG A 82 7.494 10.370 7.856 1.00 31.32 N ATOM 1240 CA ARG A 82 7.688 10.592 9.288 1.00 14.44 C ATOM 1241 C ARG A 82 6.588 9.901 10.086 1.00 62.34 C ATOM 1242 O ARG A 82 6.852 9.213 11.074 1.00 75.12 O ATOM 1243 CB ARG A 82 7.694 12.092 9.595 1.00 23.20 C ATOM 1244 CG ARG A 82 7.698 12.421 11.080 1.00 24.30 C ATOM 1245 CD ARG A 82 7.643 13.920 11.306 1.00 21.00 C ATOM 1246 NE ARG A 82 7.507 14.258 12.720 1.00 61.41 N ATOM 1247 CZ ARG A 82 8.043 15.339 13.281 1.00 2.02 C ATOM 1248 NH1 ARG A 82 8.824 16.147 12.566 1.00 44.23 N ATOM 1249 NH2 ARG A 82 7.822 15.596 14.565 1.00 35.40 N ATOM 0 H ARG A 82 7.425 11.225 7.303 1.00 31.32 H new ATOM 0 HA ARG A 82 8.650 10.168 9.577 1.00 14.44 H new ATOM 0 HB2 ARG A 82 8.571 12.544 9.131 1.00 23.20 H new ATOM 0 HB3 ARG A 82 6.819 12.550 9.135 1.00 23.20 H new ATOM 0 HG2 ARG A 82 6.845 11.945 11.564 1.00 24.30 H new ATOM 0 HG3 ARG A 82 8.596 12.013 11.544 1.00 24.30 H new ATOM 0 HD2 ARG A 82 8.548 14.379 10.909 1.00 21.00 H new ATOM 0 HD3 ARG A 82 6.804 14.339 10.751 1.00 21.00 H new ATOM 0 HE ARG A 82 6.968 13.627 13.314 1.00 61.41 H new ATOM 0 HH11 ARG A 82 9.013 15.938 11.586 1.00 44.23 H new ATOM 0 HH12 ARG A 82 9.233 16.975 12.999 1.00 44.23 H new ATOM 0 HH21 ARG A 82 7.242 14.965 15.119 1.00 35.40 H new ATOM 0 HH22 ARG A 82 8.232 16.424 14.997 1.00 35.40 H new ATOM 1263 N LEU A 83 5.360 10.066 9.623 1.00 74.43 N ATOM 1264 CA LEU A 83 4.196 9.504 10.286 1.00 32.52 C ATOM 1265 C LEU A 83 4.229 7.978 10.263 1.00 72.14 C ATOM 1266 O LEU A 83 4.120 7.330 11.304 1.00 65.54 O ATOM 1267 CB LEU A 83 2.928 10.013 9.595 1.00 60.25 C ATOM 1268 CG LEU A 83 1.611 9.619 10.256 1.00 20.33 C ATOM 1269 CD1 LEU A 83 1.519 10.216 11.649 1.00 2.34 C ATOM 1270 CD2 LEU A 83 0.442 10.076 9.400 1.00 21.20 C ATOM 0 H LEU A 83 5.142 10.593 8.777 1.00 74.43 H new ATOM 0 HA LEU A 83 4.202 9.821 11.329 1.00 32.52 H new ATOM 0 HB2 LEU A 83 2.976 11.101 9.543 1.00 60.25 H new ATOM 0 HB3 LEU A 83 2.923 9.645 8.569 1.00 60.25 H new ATOM 0 HG LEU A 83 1.573 8.533 10.346 1.00 20.33 H new ATOM 0 HD11 LEU A 83 0.574 9.926 12.108 1.00 2.34 H new ATOM 0 HD12 LEU A 83 2.345 9.849 12.258 1.00 2.34 H new ATOM 0 HD13 LEU A 83 1.572 11.303 11.583 1.00 2.34 H new ATOM 0 HD21 LEU A 83 -0.494 9.790 9.880 1.00 21.20 H new ATOM 0 HD22 LEU A 83 0.476 11.160 9.287 1.00 21.20 H new ATOM 0 HD23 LEU A 83 0.504 9.606 8.418 1.00 21.20 H new ATOM 1282 N LEU A 84 4.412 7.416 9.076 1.00 25.10 N ATOM 1283 CA LEU A 84 4.352 5.972 8.882 1.00 54.31 C ATOM 1284 C LEU A 84 5.550 5.262 9.513 1.00 15.21 C ATOM 1285 O LEU A 84 5.460 4.096 9.898 1.00 52.23 O ATOM 1286 CB LEU A 84 4.271 5.647 7.387 1.00 73.45 C ATOM 1287 CG LEU A 84 3.099 6.297 6.647 1.00 13.23 C ATOM 1288 CD1 LEU A 84 3.109 5.907 5.178 1.00 33.10 C ATOM 1289 CD2 LEU A 84 1.778 5.915 7.295 1.00 2.30 C ATOM 0 H LEU A 84 4.605 7.944 8.225 1.00 25.10 H new ATOM 0 HA LEU A 84 3.455 5.607 9.382 1.00 54.31 H new ATOM 0 HB2 LEU A 84 5.200 5.960 6.911 1.00 73.45 H new ATOM 0 HB3 LEU A 84 4.201 4.566 7.269 1.00 73.45 H new ATOM 0 HG LEU A 84 3.211 7.379 6.713 1.00 13.23 H new ATOM 0 HD11 LEU A 84 2.268 6.379 4.670 1.00 33.10 H new ATOM 0 HD12 LEU A 84 4.041 6.237 4.720 1.00 33.10 H new ATOM 0 HD13 LEU A 84 3.025 4.824 5.089 1.00 33.10 H new ATOM 0 HD21 LEU A 84 0.958 6.387 6.754 1.00 2.30 H new ATOM 0 HD22 LEU A 84 1.657 4.832 7.264 1.00 2.30 H new ATOM 0 HD23 LEU A 84 1.771 6.252 8.332 1.00 2.30 H new ATOM 1301 N THR A 85 6.673 5.959 9.604 1.00 53.33 N ATOM 1302 CA THR A 85 7.866 5.396 10.218 1.00 35.13 C ATOM 1303 C THR A 85 7.731 5.370 11.739 1.00 33.13 C ATOM 1304 O THR A 85 7.947 4.333 12.372 1.00 42.22 O ATOM 1305 CB THR A 85 9.129 6.193 9.823 1.00 23.14 C ATOM 1306 OG1 THR A 85 9.247 6.237 8.391 1.00 23.02 O ATOM 1307 CG2 THR A 85 10.384 5.571 10.422 1.00 31.44 C ATOM 0 H THR A 85 6.783 6.913 9.261 1.00 53.33 H new ATOM 0 HA THR A 85 7.971 4.375 9.851 1.00 35.13 H new ATOM 0 HB THR A 85 9.029 7.205 10.216 1.00 23.14 H new ATOM 0 HG1 THR A 85 8.488 6.730 8.015 1.00 23.02 H new ATOM 0 HG21 THR A 85 11.256 6.154 10.126 1.00 31.44 H new ATOM 0 HG22 THR A 85 10.304 5.564 11.509 1.00 31.44 H new ATOM 0 HG23 THR A 85 10.492 4.548 10.060 1.00 31.44 H new ATOM 1315 N ASP A 86 7.341 6.501 12.316 1.00 71.52 N ATOM 1316 CA ASP A 86 7.284 6.636 13.767 1.00 4.21 C ATOM 1317 C ASP A 86 6.081 5.910 14.363 1.00 53.51 C ATOM 1318 O ASP A 86 6.202 5.216 15.374 1.00 14.23 O ATOM 1319 CB ASP A 86 7.228 8.111 14.165 1.00 31.13 C ATOM 1320 CG ASP A 86 7.183 8.302 15.668 1.00 54.34 C ATOM 1321 OD1 ASP A 86 8.250 8.237 16.311 1.00 24.12 O ATOM 1322 OD2 ASP A 86 6.081 8.512 16.214 1.00 41.35 O ATOM 0 H ASP A 86 7.060 7.336 11.802 1.00 71.52 H new ATOM 0 HA ASP A 86 8.190 6.179 14.164 1.00 4.21 H new ATOM 0 HB2 ASP A 86 8.099 8.627 13.762 1.00 31.13 H new ATOM 0 HB3 ASP A 86 6.348 8.573 13.716 1.00 31.13 H new ATOM 1327 N ALA A 87 4.920 6.062 13.736 1.00 21.20 N ATOM 1328 CA ALA A 87 3.687 5.535 14.307 1.00 64.22 C ATOM 1329 C ALA A 87 3.084 4.434 13.451 1.00 70.21 C ATOM 1330 O ALA A 87 1.901 4.114 13.573 1.00 73.34 O ATOM 1331 CB ALA A 87 2.681 6.662 14.523 1.00 41.22 C ATOM 0 H ALA A 87 4.807 6.540 12.842 1.00 21.20 H new ATOM 0 HA ALA A 87 3.936 5.090 15.271 1.00 64.22 H new ATOM 0 HB1 ALA A 87 1.764 6.255 14.950 1.00 41.22 H new ATOM 0 HB2 ALA A 87 3.102 7.400 15.205 1.00 41.22 H new ATOM 0 HB3 ALA A 87 2.456 7.137 13.568 1.00 41.22 H new ATOM 1337 N GLY A 88 3.900 3.839 12.605 1.00 51.34 N ATOM 1338 CA GLY A 88 3.433 2.737 11.801 1.00 14.10 C ATOM 1339 C GLY A 88 4.312 1.521 11.964 1.00 44.02 C ATOM 1340 O GLY A 88 4.000 0.621 12.741 1.00 73.22 O ATOM 0 H GLY A 88 4.876 4.098 12.460 1.00 51.34 H new ATOM 0 HA2 GLY A 88 2.410 2.488 12.083 1.00 14.10 H new ATOM 0 HA3 GLY A 88 3.412 3.034 10.752 1.00 14.10 H new ATOM 1344 N LEU A 89 5.437 1.530 11.253 1.00 24.21 N ATOM 1345 CA LEU A 89 6.377 0.400 11.237 1.00 33.05 C ATOM 1346 C LEU A 89 7.536 0.656 10.276 1.00 0.11 C ATOM 1347 O LEU A 89 8.664 0.238 10.531 1.00 14.03 O ATOM 1348 CB LEU A 89 5.672 -0.932 10.892 1.00 32.43 C ATOM 1349 CG LEU A 89 4.537 -0.867 9.857 1.00 73.34 C ATOM 1350 CD1 LEU A 89 5.067 -0.679 8.449 1.00 3.15 C ATOM 1351 CD2 LEU A 89 3.686 -2.120 9.936 1.00 12.23 C ATOM 0 H LEU A 89 5.727 2.316 10.671 1.00 24.21 H new ATOM 0 HA LEU A 89 6.780 0.310 12.246 1.00 33.05 H new ATOM 0 HB2 LEU A 89 6.425 -1.631 10.527 1.00 32.43 H new ATOM 0 HB3 LEU A 89 5.268 -1.351 11.813 1.00 32.43 H new ATOM 0 HG LEU A 89 3.922 0.001 10.094 1.00 73.34 H new ATOM 0 HD11 LEU A 89 4.233 -0.638 7.749 1.00 3.15 H new ATOM 0 HD12 LEU A 89 5.633 0.251 8.394 1.00 3.15 H new ATOM 0 HD13 LEU A 89 5.717 -1.515 8.190 1.00 3.15 H new ATOM 0 HD21 LEU A 89 2.885 -2.063 9.199 1.00 12.23 H new ATOM 0 HD22 LEU A 89 4.305 -2.994 9.733 1.00 12.23 H new ATOM 0 HD23 LEU A 89 3.255 -2.205 10.934 1.00 12.23 H new ATOM 1363 N ALA A 90 7.239 1.334 9.168 1.00 53.15 N ATOM 1364 CA ALA A 90 8.241 1.715 8.165 1.00 75.13 C ATOM 1365 C ALA A 90 8.875 0.510 7.457 1.00 42.44 C ATOM 1366 O ALA A 90 9.808 0.670 6.673 1.00 31.51 O ATOM 1367 CB ALA A 90 9.326 2.583 8.787 1.00 60.14 C ATOM 0 H ALA A 90 6.293 1.637 8.937 1.00 53.15 H new ATOM 0 HA ALA A 90 7.707 2.286 7.406 1.00 75.13 H new ATOM 0 HB1 ALA A 90 10.057 2.853 8.025 1.00 60.14 H new ATOM 0 HB2 ALA A 90 8.878 3.488 9.197 1.00 60.14 H new ATOM 0 HB3 ALA A 90 9.821 2.030 9.585 1.00 60.14 H new ATOM 1373 N HIS A 91 8.363 -0.688 7.712 1.00 4.24 N ATOM 1374 CA HIS A 91 8.934 -1.895 7.120 1.00 33.45 C ATOM 1375 C HIS A 91 8.355 -2.148 5.735 1.00 11.22 C ATOM 1376 O HIS A 91 9.045 -2.631 4.841 1.00 62.43 O ATOM 1377 CB HIS A 91 8.679 -3.111 8.020 1.00 64.13 C ATOM 1378 CG HIS A 91 9.184 -4.405 7.451 1.00 53.42 C ATOM 1379 ND1 HIS A 91 8.374 -5.298 6.783 1.00 52.43 N ATOM 1380 CD2 HIS A 91 10.421 -4.952 7.454 1.00 43.32 C ATOM 1381 CE1 HIS A 91 9.089 -6.337 6.401 1.00 51.55 C ATOM 1382 NE2 HIS A 91 10.335 -6.151 6.795 1.00 64.40 N ATOM 0 H HIS A 91 7.560 -0.851 8.319 1.00 4.24 H new ATOM 0 HA HIS A 91 10.009 -1.743 7.026 1.00 33.45 H new ATOM 0 HB2 HIS A 91 9.153 -2.941 8.987 1.00 64.13 H new ATOM 0 HB3 HIS A 91 7.608 -3.198 8.201 1.00 64.13 H new ATOM 0 HD1 HIS A 91 7.376 -5.174 6.611 1.00 52.43 H new ATOM 0 HD2 HIS A 91 11.310 -4.524 7.893 1.00 43.32 H new ATOM 0 HE1 HIS A 91 8.719 -7.194 5.858 1.00 51.55 H new ATOM 1391 N GLU A 92 7.092 -1.795 5.568 1.00 3.45 N ATOM 1392 CA GLU A 92 6.368 -2.084 4.336 1.00 75.22 C ATOM 1393 C GLU A 92 6.695 -1.057 3.249 1.00 51.33 C ATOM 1394 O GLU A 92 6.168 -1.126 2.137 1.00 73.03 O ATOM 1395 CB GLU A 92 4.859 -2.084 4.609 1.00 71.42 C ATOM 1396 CG GLU A 92 4.437 -2.872 5.845 1.00 14.31 C ATOM 1397 CD GLU A 92 4.801 -4.340 5.769 1.00 74.30 C ATOM 1398 OE1 GLU A 92 5.914 -4.707 6.195 1.00 53.52 O ATOM 1399 OE2 GLU A 92 3.967 -5.138 5.289 1.00 63.10 O ATOM 0 H GLU A 92 6.542 -1.305 6.273 1.00 3.45 H new ATOM 0 HA GLU A 92 6.678 -3.067 3.982 1.00 75.22 H new ATOM 0 HB2 GLU A 92 4.523 -1.053 4.720 1.00 71.42 H new ATOM 0 HB3 GLU A 92 4.346 -2.495 3.740 1.00 71.42 H new ATOM 0 HG2 GLU A 92 4.906 -2.433 6.726 1.00 14.31 H new ATOM 0 HG3 GLU A 92 3.359 -2.778 5.978 1.00 14.31 H new ATOM 1406 N LEU A 93 7.573 -0.113 3.577 1.00 12.03 N ATOM 1407 CA LEU A 93 7.889 0.991 2.680 1.00 31.13 C ATOM 1408 C LEU A 93 8.605 0.507 1.424 1.00 1.34 C ATOM 1409 O LEU A 93 9.727 -0.007 1.493 1.00 41.12 O ATOM 1410 CB LEU A 93 8.748 2.036 3.395 1.00 5.00 C ATOM 1411 CG LEU A 93 8.070 2.764 4.556 1.00 65.54 C ATOM 1412 CD1 LEU A 93 9.023 3.771 5.178 1.00 3.24 C ATOM 1413 CD2 LEU A 93 6.803 3.456 4.082 1.00 43.31 C ATOM 0 H LEU A 93 8.080 -0.092 4.462 1.00 12.03 H new ATOM 0 HA LEU A 93 6.945 1.446 2.380 1.00 31.13 H new ATOM 0 HB2 LEU A 93 9.646 1.546 3.771 1.00 5.00 H new ATOM 0 HB3 LEU A 93 9.071 2.777 2.664 1.00 5.00 H new ATOM 0 HG LEU A 93 7.799 2.029 5.314 1.00 65.54 H new ATOM 0 HD11 LEU A 93 8.526 4.281 6.003 1.00 3.24 H new ATOM 0 HD12 LEU A 93 9.907 3.253 5.551 1.00 3.24 H new ATOM 0 HD13 LEU A 93 9.321 4.502 4.426 1.00 3.24 H new ATOM 0 HD21 LEU A 93 6.333 3.969 4.921 1.00 43.31 H new ATOM 0 HD22 LEU A 93 7.052 4.181 3.307 1.00 43.31 H new ATOM 0 HD23 LEU A 93 6.113 2.715 3.678 1.00 43.31 H new ATOM 1425 N ARG A 94 7.931 0.686 0.290 1.00 75.35 N ATOM 1426 CA ARG A 94 8.450 0.337 -1.033 1.00 13.32 C ATOM 1427 C ARG A 94 8.495 -1.174 -1.246 1.00 53.35 C ATOM 1428 O ARG A 94 7.877 -1.692 -2.175 1.00 4.20 O ATOM 1429 CB ARG A 94 9.824 0.965 -1.275 1.00 34.12 C ATOM 1430 CG ARG A 94 10.351 0.754 -2.683 1.00 33.11 C ATOM 1431 CD ARG A 94 11.617 1.557 -2.916 1.00 34.21 C ATOM 1432 NE ARG A 94 12.180 1.336 -4.245 1.00 13.34 N ATOM 1433 CZ ARG A 94 12.387 2.306 -5.130 1.00 61.41 C ATOM 1434 NH1 ARG A 94 11.932 3.530 -4.890 1.00 75.31 N ATOM 1435 NH2 ARG A 94 13.015 2.041 -6.269 1.00 13.31 N ATOM 0 H ARG A 94 6.992 1.084 0.263 1.00 75.35 H new ATOM 0 HA ARG A 94 7.757 0.749 -1.766 1.00 13.32 H new ATOM 0 HB2 ARG A 94 9.765 2.035 -1.075 1.00 34.12 H new ATOM 0 HB3 ARG A 94 10.536 0.546 -0.563 1.00 34.12 H new ATOM 0 HG2 ARG A 94 10.553 -0.305 -2.845 1.00 33.11 H new ATOM 0 HG3 ARG A 94 9.591 1.048 -3.407 1.00 33.11 H new ATOM 0 HD2 ARG A 94 11.400 2.617 -2.788 1.00 34.21 H new ATOM 0 HD3 ARG A 94 12.357 1.290 -2.162 1.00 34.21 H new ATOM 0 HE ARG A 94 12.429 0.383 -4.509 1.00 13.34 H new ATOM 0 HH11 ARG A 94 11.424 3.725 -4.027 1.00 75.31 H new ATOM 0 HH12 ARG A 94 12.090 4.275 -5.568 1.00 75.31 H new ATOM 0 HH21 ARG A 94 13.338 1.094 -6.465 1.00 13.31 H new ATOM 0 HH22 ARG A 94 13.174 2.785 -6.949 1.00 13.31 H new