USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 634 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 9 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 58 LYS NZ :NH3+ -128:sc= -1.34 (180deg=-1.96!) USER MOD Single : A 1 MET CE :methyl -129:sc= -0.106 (180deg=-2.77!) USER MOD Single : A 1 MET N :NH3+ -159:sc= 0.764 (180deg=0.513) USER MOD Single : A 5 LYS NZ :NH3+ -132:sc= -0.152 (180deg=-0.657) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -14:sc= 1.18 USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 146:sc= -1.06 (180deg=-2.78!) USER MOD Single : A 42 GLN : amide:sc= 0.555 K(o=0.55,f=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl -166:sc= -0.588 (180deg=-0.718) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -176:sc= -0.178 (180deg=-0.198) USER MOD Single : A 56 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00906) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -119:sc= 1.38 (180deg=-0.54) USER MOD Single : A 66 THR OG1 : rot 27:sc= 0.945 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=-0.0051) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 74 HIS : no HD1:sc= 0.311 K(o=0.31,f=-2.2!) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=-0.0026) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.160 12.599 -3.965 1.00 42.24 N ATOM 2 CA MET A 1 0.752 12.798 -5.309 1.00 13.12 C ATOM 3 C MET A 1 1.862 11.758 -5.596 1.00 33.04 C ATOM 4 O MET A 1 2.310 11.626 -6.741 1.00 11.01 O ATOM 5 CB MET A 1 1.272 14.250 -5.454 1.00 73.02 C ATOM 6 CG MET A 1 2.521 14.586 -4.636 1.00 72.35 C ATOM 7 SD MET A 1 2.339 14.309 -2.860 1.00 22.23 S ATOM 8 CE MET A 1 3.981 14.754 -2.280 1.00 63.31 C ATOM 0 H1 MET A 1 -0.780 13.043 -3.930 1.00 42.24 H new ATOM 0 H2 MET A 1 0.069 11.581 -3.773 1.00 42.24 H new ATOM 0 H3 MET A 1 0.775 13.033 -3.247 1.00 42.24 H new ATOM 0 HA MET A 1 -0.026 12.642 -6.056 1.00 13.12 H new ATOM 0 HB2 MET A 1 1.486 14.437 -6.506 1.00 73.02 H new ATOM 0 HB3 MET A 1 0.474 14.934 -5.165 1.00 73.02 H new ATOM 0 HG2 MET A 1 3.354 13.986 -5.003 1.00 72.35 H new ATOM 0 HG3 MET A 1 2.782 15.631 -4.805 1.00 72.35 H new ATOM 0 HE1 MET A 1 4.373 13.956 -1.649 1.00 63.31 H new ATOM 0 HE2 MET A 1 4.642 14.898 -3.135 1.00 63.31 H new ATOM 0 HE3 MET A 1 3.926 15.678 -1.704 1.00 63.31 H new ATOM 20 N VAL A 2 2.309 11.027 -4.549 1.00 13.11 N ATOM 21 CA VAL A 2 3.292 9.933 -4.688 1.00 13.25 C ATOM 22 C VAL A 2 2.538 8.618 -4.971 1.00 32.45 C ATOM 23 O VAL A 2 1.826 8.118 -4.099 1.00 34.10 O ATOM 24 CB VAL A 2 4.177 9.759 -3.390 1.00 54.24 C ATOM 25 CG1 VAL A 2 5.283 8.689 -3.594 1.00 62.51 C ATOM 26 CG2 VAL A 2 4.780 11.107 -2.942 1.00 73.12 C ATOM 0 H VAL A 2 1.999 11.180 -3.589 1.00 13.11 H new ATOM 0 HA VAL A 2 3.961 10.183 -5.511 1.00 13.25 H new ATOM 0 HB VAL A 2 3.523 9.405 -2.593 1.00 54.24 H new ATOM 0 HG11 VAL A 2 5.872 8.596 -2.682 1.00 62.51 H new ATOM 0 HG12 VAL A 2 4.822 7.729 -3.828 1.00 62.51 H new ATOM 0 HG13 VAL A 2 5.933 8.989 -4.416 1.00 62.51 H new ATOM 0 HG21 VAL A 2 5.384 10.956 -2.047 1.00 73.12 H new ATOM 0 HG22 VAL A 2 5.406 11.508 -3.739 1.00 73.12 H new ATOM 0 HG23 VAL A 2 3.976 11.810 -2.723 1.00 73.12 H new ATOM 36 N ASP A 3 2.701 8.078 -6.182 1.00 0.10 N ATOM 37 CA ASP A 3 2.048 6.826 -6.602 1.00 61.11 C ATOM 38 C ASP A 3 2.957 5.646 -6.232 1.00 23.04 C ATOM 39 O ASP A 3 4.087 5.546 -6.729 1.00 63.32 O ATOM 40 CB ASP A 3 1.763 6.814 -8.133 1.00 45.43 C ATOM 41 CG ASP A 3 0.918 8.009 -8.618 1.00 63.53 C ATOM 42 OD1 ASP A 3 -0.330 7.917 -8.628 1.00 24.40 O ATOM 43 OD2 ASP A 3 1.507 9.046 -9.014 1.00 4.33 O ATOM 0 H ASP A 3 3.290 8.494 -6.903 1.00 0.10 H new ATOM 0 HA ASP A 3 1.090 6.744 -6.089 1.00 61.11 H new ATOM 0 HB2 ASP A 3 2.712 6.810 -8.670 1.00 45.43 H new ATOM 0 HB3 ASP A 3 1.248 5.889 -8.390 1.00 45.43 H new ATOM 48 N LEU A 4 2.472 4.791 -5.324 1.00 42.31 N ATOM 49 CA LEU A 4 3.130 3.536 -4.944 1.00 22.01 C ATOM 50 C LEU A 4 2.301 2.376 -5.513 1.00 14.42 C ATOM 51 O LEU A 4 1.165 2.157 -5.078 1.00 0.35 O ATOM 52 CB LEU A 4 3.239 3.430 -3.387 1.00 2.01 C ATOM 53 CG LEU A 4 3.985 4.600 -2.669 1.00 32.22 C ATOM 54 CD1 LEU A 4 3.940 4.437 -1.133 1.00 31.33 C ATOM 55 CD2 LEU A 4 5.439 4.742 -3.175 1.00 33.12 C ATOM 0 H LEU A 4 1.598 4.955 -4.825 1.00 42.31 H new ATOM 0 HA LEU A 4 4.142 3.501 -5.347 1.00 22.01 H new ATOM 0 HB2 LEU A 4 2.232 3.362 -2.976 1.00 2.01 H new ATOM 0 HB3 LEU A 4 3.747 2.497 -3.141 1.00 2.01 H new ATOM 0 HG LEU A 4 3.460 5.522 -2.919 1.00 32.22 H new ATOM 0 HD11 LEU A 4 4.468 5.267 -0.663 1.00 31.33 H new ATOM 0 HD12 LEU A 4 2.903 4.431 -0.798 1.00 31.33 H new ATOM 0 HD13 LEU A 4 4.418 3.498 -0.853 1.00 31.33 H new ATOM 0 HD21 LEU A 4 5.927 5.565 -2.654 1.00 33.12 H new ATOM 0 HD22 LEU A 4 5.983 3.817 -2.983 1.00 33.12 H new ATOM 0 HD23 LEU A 4 5.433 4.943 -4.246 1.00 33.12 H new ATOM 67 N LYS A 5 2.853 1.666 -6.515 1.00 5.04 N ATOM 68 CA LYS A 5 2.205 0.472 -7.084 1.00 71.44 C ATOM 69 C LYS A 5 2.754 -0.746 -6.348 1.00 21.43 C ATOM 70 O LYS A 5 3.953 -1.041 -6.440 1.00 41.31 O ATOM 71 CB LYS A 5 2.451 0.336 -8.615 1.00 61.41 C ATOM 72 CG LYS A 5 1.520 -0.697 -9.307 1.00 35.40 C ATOM 73 CD LYS A 5 1.876 -0.960 -10.790 1.00 13.11 C ATOM 74 CE LYS A 5 3.193 -1.740 -10.963 1.00 33.01 C ATOM 75 NZ LYS A 5 3.154 -3.073 -10.293 1.00 43.14 N ATOM 0 H LYS A 5 3.747 1.900 -6.947 1.00 5.04 H new ATOM 0 HA LYS A 5 1.126 0.557 -6.955 1.00 71.44 H new ATOM 0 HB2 LYS A 5 2.311 1.310 -9.085 1.00 61.41 H new ATOM 0 HB3 LYS A 5 3.488 0.047 -8.783 1.00 61.41 H new ATOM 0 HG2 LYS A 5 1.566 -1.638 -8.759 1.00 35.40 H new ATOM 0 HG3 LYS A 5 0.491 -0.343 -9.247 1.00 35.40 H new ATOM 0 HD2 LYS A 5 1.065 -1.518 -11.259 1.00 13.11 H new ATOM 0 HD3 LYS A 5 1.953 -0.007 -11.314 1.00 13.11 H new ATOM 0 HE2 LYS A 5 3.395 -1.876 -12.025 1.00 33.01 H new ATOM 0 HE3 LYS A 5 4.016 -1.154 -10.554 1.00 33.01 H new ATOM 0 HZ1 LYS A 5 4.016 -3.202 -9.726 1.00 43.14 H new ATOM 0 HZ2 LYS A 5 2.321 -3.126 -9.673 1.00 43.14 H new ATOM 0 HZ3 LYS A 5 3.098 -3.822 -11.013 1.00 43.14 H new ATOM 89 N ILE A 6 1.880 -1.432 -5.609 1.00 40.10 N ATOM 90 CA ILE A 6 2.266 -2.541 -4.741 1.00 3.14 C ATOM 91 C ILE A 6 1.962 -3.858 -5.457 1.00 62.13 C ATOM 92 O ILE A 6 0.796 -4.256 -5.574 1.00 65.33 O ATOM 93 CB ILE A 6 1.483 -2.482 -3.370 1.00 41.02 C ATOM 94 CG1 ILE A 6 1.629 -1.077 -2.684 1.00 21.54 C ATOM 95 CG2 ILE A 6 1.918 -3.626 -2.424 1.00 13.22 C ATOM 96 CD1 ILE A 6 3.049 -0.645 -2.355 1.00 51.41 C ATOM 0 H ILE A 6 0.880 -1.231 -5.597 1.00 40.10 H new ATOM 0 HA ILE A 6 3.332 -2.470 -4.524 1.00 3.14 H new ATOM 0 HB ILE A 6 0.425 -2.625 -3.590 1.00 41.02 H new ATOM 0 HG12 ILE A 6 1.183 -0.327 -3.337 1.00 21.54 H new ATOM 0 HG13 ILE A 6 1.048 -1.082 -1.762 1.00 21.54 H new ATOM 0 HG21 ILE A 6 1.361 -3.557 -1.490 1.00 13.22 H new ATOM 0 HG22 ILE A 6 1.715 -4.587 -2.897 1.00 13.22 H new ATOM 0 HG23 ILE A 6 2.985 -3.541 -2.217 1.00 13.22 H new ATOM 0 HD11 ILE A 6 3.031 0.338 -1.885 1.00 51.41 H new ATOM 0 HD12 ILE A 6 3.499 -1.365 -1.672 1.00 51.41 H new ATOM 0 HD13 ILE A 6 3.637 -0.598 -3.272 1.00 51.41 H new ATOM 108 N ASP A 7 3.011 -4.512 -5.963 1.00 15.40 N ATOM 109 CA ASP A 7 2.913 -5.868 -6.503 1.00 55.41 C ATOM 110 C ASP A 7 2.568 -6.853 -5.383 1.00 55.23 C ATOM 111 O ASP A 7 3.407 -7.126 -4.514 1.00 1.22 O ATOM 112 CB ASP A 7 4.237 -6.259 -7.204 1.00 2.11 C ATOM 113 CG ASP A 7 4.477 -5.463 -8.501 1.00 73.34 C ATOM 114 OD1 ASP A 7 4.974 -4.311 -8.434 1.00 14.22 O ATOM 115 OD2 ASP A 7 4.142 -5.970 -9.597 1.00 71.14 O ATOM 0 H ASP A 7 3.950 -4.116 -6.009 1.00 15.40 H new ATOM 0 HA ASP A 7 2.115 -5.904 -7.245 1.00 55.41 H new ATOM 0 HB2 ASP A 7 5.069 -6.092 -6.520 1.00 2.11 H new ATOM 0 HB3 ASP A 7 4.222 -7.324 -7.433 1.00 2.11 H new ATOM 120 N VAL A 8 1.324 -7.379 -5.401 1.00 71.22 N ATOM 121 CA VAL A 8 0.799 -8.260 -4.339 1.00 52.35 C ATOM 122 C VAL A 8 0.723 -9.706 -4.854 1.00 10.31 C ATOM 123 O VAL A 8 0.418 -9.954 -6.030 1.00 21.52 O ATOM 124 CB VAL A 8 -0.605 -7.788 -3.776 1.00 40.12 C ATOM 125 CG1 VAL A 8 -0.473 -6.461 -2.990 1.00 33.13 C ATOM 126 CG2 VAL A 8 -1.666 -7.672 -4.891 1.00 72.25 C ATOM 0 H VAL A 8 0.657 -7.204 -6.153 1.00 71.22 H new ATOM 0 HA VAL A 8 1.494 -8.205 -3.501 1.00 52.35 H new ATOM 0 HB VAL A 8 -0.949 -8.557 -3.085 1.00 40.12 H new ATOM 0 HG11 VAL A 8 -1.452 -6.161 -2.615 1.00 33.13 H new ATOM 0 HG12 VAL A 8 0.209 -6.601 -2.151 1.00 33.13 H new ATOM 0 HG13 VAL A 8 -0.083 -5.685 -3.649 1.00 33.13 H new ATOM 0 HG21 VAL A 8 -2.613 -7.346 -4.460 1.00 72.25 H new ATOM 0 HG22 VAL A 8 -1.336 -6.945 -5.633 1.00 72.25 H new ATOM 0 HG23 VAL A 8 -1.800 -8.643 -5.368 1.00 72.25 H new ATOM 136 N SER A 9 1.029 -10.641 -3.963 1.00 4.53 N ATOM 137 CA SER A 9 1.134 -12.073 -4.264 1.00 3.41 C ATOM 138 C SER A 9 -0.195 -12.818 -3.997 1.00 24.03 C ATOM 139 O SER A 9 -0.347 -13.976 -4.417 1.00 44.40 O ATOM 140 CB SER A 9 2.269 -12.659 -3.393 1.00 34.45 C ATOM 141 OG SER A 9 3.459 -11.890 -3.532 1.00 1.43 O ATOM 0 H SER A 9 1.217 -10.424 -2.984 1.00 4.53 H new ATOM 0 HA SER A 9 1.355 -12.203 -5.323 1.00 3.41 H new ATOM 0 HB2 SER A 9 1.961 -12.675 -2.348 1.00 34.45 H new ATOM 0 HB3 SER A 9 2.461 -13.692 -3.684 1.00 34.45 H new ATOM 0 HG SER A 9 4.165 -12.275 -2.972 1.00 1.43 H new ATOM 147 N ASP A 10 -1.158 -12.154 -3.322 1.00 71.51 N ATOM 148 CA ASP A 10 -2.421 -12.800 -2.901 1.00 41.42 C ATOM 149 C ASP A 10 -3.530 -11.753 -2.636 1.00 63.34 C ATOM 150 O ASP A 10 -3.248 -10.558 -2.516 1.00 71.52 O ATOM 151 CB ASP A 10 -2.158 -13.671 -1.641 1.00 30.43 C ATOM 152 CG ASP A 10 -3.358 -14.541 -1.223 1.00 14.10 C ATOM 153 OD1 ASP A 10 -3.600 -15.591 -1.857 1.00 51.01 O ATOM 154 OD2 ASP A 10 -4.060 -14.174 -0.263 1.00 72.21 O ATOM 0 H ASP A 10 -1.085 -11.172 -3.057 1.00 71.51 H new ATOM 0 HA ASP A 10 -2.776 -13.440 -3.709 1.00 41.42 H new ATOM 0 HB2 ASP A 10 -1.301 -14.318 -1.831 1.00 30.43 H new ATOM 0 HB3 ASP A 10 -1.888 -13.019 -0.810 1.00 30.43 H new ATOM 159 N ASP A 11 -4.798 -12.236 -2.534 1.00 21.45 N ATOM 160 CA ASP A 11 -6.000 -11.390 -2.347 1.00 2.33 C ATOM 161 C ASP A 11 -6.167 -11.010 -0.865 1.00 65.22 C ATOM 162 O ASP A 11 -6.379 -9.846 -0.549 1.00 64.23 O ATOM 163 CB ASP A 11 -7.284 -12.117 -2.847 1.00 62.43 C ATOM 164 CG ASP A 11 -7.269 -12.398 -4.362 1.00 32.23 C ATOM 165 OD1 ASP A 11 -6.775 -13.468 -4.776 1.00 24.31 O ATOM 166 OD2 ASP A 11 -7.750 -11.546 -5.144 1.00 62.32 O ATOM 0 H ASP A 11 -5.012 -13.232 -2.580 1.00 21.45 H new ATOM 0 HA ASP A 11 -5.861 -10.485 -2.938 1.00 2.33 H new ATOM 0 HB2 ASP A 11 -7.393 -13.059 -2.310 1.00 62.43 H new ATOM 0 HB3 ASP A 11 -8.156 -11.509 -2.605 1.00 62.43 H new ATOM 171 N GLU A 12 -6.050 -12.015 0.032 1.00 61.32 N ATOM 172 CA GLU A 12 -6.140 -11.825 1.502 1.00 43.03 C ATOM 173 C GLU A 12 -5.027 -10.871 1.984 1.00 22.44 C ATOM 174 O GLU A 12 -5.253 -9.982 2.820 1.00 61.10 O ATOM 175 CB GLU A 12 -6.019 -13.200 2.218 1.00 22.31 C ATOM 176 CG GLU A 12 -5.967 -13.137 3.763 1.00 24.10 C ATOM 177 CD GLU A 12 -5.628 -14.490 4.409 1.00 61.01 C ATOM 178 OE1 GLU A 12 -4.461 -14.925 4.297 1.00 64.14 O ATOM 179 OE2 GLU A 12 -6.519 -15.132 5.015 1.00 23.40 O ATOM 0 H GLU A 12 -5.890 -12.984 -0.242 1.00 61.32 H new ATOM 0 HA GLU A 12 -7.106 -11.382 1.746 1.00 43.03 H new ATOM 0 HB2 GLU A 12 -6.866 -13.820 1.924 1.00 22.31 H new ATOM 0 HB3 GLU A 12 -5.119 -13.700 1.860 1.00 22.31 H new ATOM 0 HG2 GLU A 12 -5.224 -12.400 4.066 1.00 24.10 H new ATOM 0 HG3 GLU A 12 -6.930 -12.792 4.140 1.00 24.10 H new ATOM 186 N GLU A 13 -3.836 -11.074 1.409 1.00 12.23 N ATOM 187 CA GLU A 13 -2.639 -10.256 1.656 1.00 13.34 C ATOM 188 C GLU A 13 -2.848 -8.804 1.162 1.00 73.50 C ATOM 189 O GLU A 13 -2.376 -7.851 1.790 1.00 62.12 O ATOM 190 CB GLU A 13 -1.459 -10.917 0.917 1.00 61.23 C ATOM 191 CG GLU A 13 -0.081 -10.253 1.118 1.00 25.54 C ATOM 192 CD GLU A 13 0.883 -10.592 -0.017 1.00 33.25 C ATOM 193 OE1 GLU A 13 0.577 -10.202 -1.159 1.00 15.01 O ATOM 194 OE2 GLU A 13 1.934 -11.230 0.201 1.00 42.25 O ATOM 0 H GLU A 13 -3.672 -11.829 0.743 1.00 12.23 H new ATOM 0 HA GLU A 13 -2.436 -10.204 2.726 1.00 13.34 H new ATOM 0 HB2 GLU A 13 -1.390 -11.956 1.239 1.00 61.23 H new ATOM 0 HB3 GLU A 13 -1.684 -10.928 -0.150 1.00 61.23 H new ATOM 0 HG2 GLU A 13 -0.204 -9.172 1.180 1.00 25.54 H new ATOM 0 HG3 GLU A 13 0.345 -10.580 2.067 1.00 25.54 H new ATOM 201 N ALA A 14 -3.576 -8.660 0.039 1.00 21.01 N ATOM 202 CA ALA A 14 -3.920 -7.344 -0.539 1.00 72.43 C ATOM 203 C ALA A 14 -4.942 -6.589 0.345 1.00 23.23 C ATOM 204 O ALA A 14 -4.845 -5.372 0.504 1.00 50.51 O ATOM 205 CB ALA A 14 -4.450 -7.510 -1.971 1.00 42.34 C ATOM 0 H ALA A 14 -3.942 -9.449 -0.493 1.00 21.01 H new ATOM 0 HA ALA A 14 -3.011 -6.743 -0.574 1.00 72.43 H new ATOM 0 HB1 ALA A 14 -4.699 -6.532 -2.383 1.00 42.34 H new ATOM 0 HB2 ALA A 14 -3.686 -7.980 -2.590 1.00 42.34 H new ATOM 0 HB3 ALA A 14 -5.342 -8.136 -1.958 1.00 42.34 H new ATOM 211 N GLU A 15 -5.929 -7.337 0.894 1.00 51.21 N ATOM 212 CA GLU A 15 -6.898 -6.836 1.907 1.00 64.30 C ATOM 213 C GLU A 15 -6.179 -6.341 3.169 1.00 51.14 C ATOM 214 O GLU A 15 -6.636 -5.398 3.822 1.00 53.11 O ATOM 215 CB GLU A 15 -7.895 -7.961 2.290 1.00 41.51 C ATOM 216 CG GLU A 15 -8.714 -8.502 1.105 1.00 51.44 C ATOM 217 CD GLU A 15 -9.622 -9.698 1.449 1.00 32.35 C ATOM 218 OE1 GLU A 15 -9.213 -10.561 2.254 1.00 32.52 O ATOM 219 OE2 GLU A 15 -10.744 -9.790 0.893 1.00 5.44 O ATOM 0 H GLU A 15 -6.079 -8.315 0.646 1.00 51.21 H new ATOM 0 HA GLU A 15 -7.438 -5.998 1.466 1.00 64.30 H new ATOM 0 HB2 GLU A 15 -7.342 -8.784 2.742 1.00 41.51 H new ATOM 0 HB3 GLU A 15 -8.580 -7.583 3.049 1.00 41.51 H new ATOM 0 HG2 GLU A 15 -9.331 -7.696 0.708 1.00 51.44 H new ATOM 0 HG3 GLU A 15 -8.028 -8.799 0.311 1.00 51.44 H new ATOM 226 N LYS A 16 -5.066 -7.021 3.503 1.00 23.03 N ATOM 227 CA LYS A 16 -4.182 -6.641 4.614 1.00 2.24 C ATOM 228 C LYS A 16 -3.474 -5.305 4.326 1.00 11.54 C ATOM 229 O LYS A 16 -3.348 -4.477 5.226 1.00 13.34 O ATOM 230 CB LYS A 16 -3.147 -7.772 4.903 1.00 24.01 C ATOM 231 CG LYS A 16 -3.588 -8.870 5.923 1.00 24.24 C ATOM 232 CD LYS A 16 -2.706 -8.885 7.204 1.00 74.40 C ATOM 233 CE LYS A 16 -2.728 -7.547 7.966 1.00 2.32 C ATOM 234 NZ LYS A 16 -1.887 -7.584 9.196 1.00 11.11 N ATOM 0 H LYS A 16 -4.755 -7.855 3.004 1.00 23.03 H new ATOM 0 HA LYS A 16 -4.795 -6.505 5.505 1.00 2.24 H new ATOM 0 HB2 LYS A 16 -2.901 -8.260 3.960 1.00 24.01 H new ATOM 0 HB3 LYS A 16 -2.231 -7.311 5.271 1.00 24.01 H new ATOM 0 HG2 LYS A 16 -4.628 -8.703 6.204 1.00 24.24 H new ATOM 0 HG3 LYS A 16 -3.541 -9.847 5.442 1.00 24.24 H new ATOM 0 HD2 LYS A 16 -3.050 -9.679 7.866 1.00 74.40 H new ATOM 0 HD3 LYS A 16 -1.679 -9.123 6.928 1.00 74.40 H new ATOM 0 HE2 LYS A 16 -2.374 -6.752 7.310 1.00 2.32 H new ATOM 0 HE3 LYS A 16 -3.755 -7.303 8.238 1.00 2.32 H new ATOM 0 HZ1 LYS A 16 -1.933 -6.662 9.676 1.00 11.11 H new ATOM 0 HZ2 LYS A 16 -2.239 -8.325 9.835 1.00 11.11 H new ATOM 0 HZ3 LYS A 16 -0.901 -7.791 8.937 1.00 11.11 H new ATOM 248 N ILE A 17 -3.029 -5.103 3.066 1.00 24.41 N ATOM 249 CA ILE A 17 -2.410 -3.829 2.630 1.00 44.12 C ATOM 250 C ILE A 17 -3.406 -2.675 2.841 1.00 62.12 C ATOM 251 O ILE A 17 -3.097 -1.684 3.509 1.00 62.11 O ATOM 252 CB ILE A 17 -1.954 -3.877 1.115 1.00 14.13 C ATOM 253 CG1 ILE A 17 -0.941 -5.036 0.878 1.00 13.24 C ATOM 254 CG2 ILE A 17 -1.361 -2.523 0.649 1.00 44.40 C ATOM 255 CD1 ILE A 17 0.273 -5.010 1.789 1.00 13.24 C ATOM 0 H ILE A 17 -3.087 -5.807 2.330 1.00 24.41 H new ATOM 0 HA ILE A 17 -1.517 -3.668 3.234 1.00 44.12 H new ATOM 0 HB ILE A 17 -2.843 -4.068 0.513 1.00 14.13 H new ATOM 0 HG12 ILE A 17 -1.458 -5.986 1.011 1.00 13.24 H new ATOM 0 HG13 ILE A 17 -0.603 -4.999 -0.158 1.00 13.24 H new ATOM 0 HG21 ILE A 17 -1.060 -2.598 -0.396 1.00 44.40 H new ATOM 0 HG22 ILE A 17 -2.113 -1.741 0.755 1.00 44.40 H new ATOM 0 HG23 ILE A 17 -0.492 -2.277 1.260 1.00 44.40 H new ATOM 0 HD11 ILE A 17 0.923 -5.853 1.553 1.00 13.24 H new ATOM 0 HD12 ILE A 17 0.819 -4.078 1.641 1.00 13.24 H new ATOM 0 HD13 ILE A 17 -0.050 -5.080 2.828 1.00 13.24 H new ATOM 267 N ILE A 18 -4.623 -2.875 2.308 1.00 64.04 N ATOM 268 CA ILE A 18 -5.736 -1.924 2.431 1.00 24.42 C ATOM 269 C ILE A 18 -6.135 -1.721 3.922 1.00 21.52 C ATOM 270 O ILE A 18 -6.457 -0.606 4.324 1.00 50.51 O ATOM 271 CB ILE A 18 -6.968 -2.406 1.561 1.00 71.25 C ATOM 272 CG1 ILE A 18 -6.536 -2.605 0.060 1.00 71.13 C ATOM 273 CG2 ILE A 18 -8.161 -1.420 1.669 1.00 34.25 C ATOM 274 CD1 ILE A 18 -7.614 -3.172 -0.856 1.00 50.14 C ATOM 0 H ILE A 18 -4.862 -3.711 1.774 1.00 64.04 H new ATOM 0 HA ILE A 18 -5.410 -0.957 2.049 1.00 24.42 H new ATOM 0 HB ILE A 18 -7.302 -3.366 1.955 1.00 71.25 H new ATOM 0 HG12 ILE A 18 -6.212 -1.644 -0.339 1.00 71.13 H new ATOM 0 HG13 ILE A 18 -5.672 -3.269 0.032 1.00 71.13 H new ATOM 0 HG21 ILE A 18 -8.989 -1.782 1.059 1.00 34.25 H new ATOM 0 HG22 ILE A 18 -8.480 -1.348 2.709 1.00 34.25 H new ATOM 0 HG23 ILE A 18 -7.853 -0.436 1.315 1.00 34.25 H new ATOM 0 HD11 ILE A 18 -7.218 -3.271 -1.867 1.00 50.14 H new ATOM 0 HD12 ILE A 18 -7.924 -4.151 -0.490 1.00 50.14 H new ATOM 0 HD13 ILE A 18 -8.472 -2.500 -0.867 1.00 50.14 H new ATOM 286 N ARG A 19 -6.041 -2.790 4.748 1.00 4.20 N ATOM 287 CA ARG A 19 -6.413 -2.719 6.184 1.00 44.41 C ATOM 288 C ARG A 19 -5.471 -1.774 6.944 1.00 64.41 C ATOM 289 O ARG A 19 -5.932 -0.900 7.684 1.00 4.51 O ATOM 290 CB ARG A 19 -6.423 -4.124 6.861 1.00 33.24 C ATOM 291 CG ARG A 19 -6.835 -4.111 8.357 1.00 23.34 C ATOM 292 CD ARG A 19 -6.765 -5.493 9.039 1.00 51.13 C ATOM 293 NE ARG A 19 -6.931 -5.391 10.509 1.00 4.15 N ATOM 294 CZ ARG A 19 -7.104 -6.430 11.354 1.00 64.25 C ATOM 295 NH1 ARG A 19 -7.152 -7.679 10.908 1.00 0.11 N ATOM 296 NH2 ARG A 19 -7.209 -6.207 12.658 1.00 44.24 N ATOM 0 H ARG A 19 -5.713 -3.708 4.448 1.00 4.20 H new ATOM 0 HA ARG A 19 -7.428 -2.325 6.229 1.00 44.41 H new ATOM 0 HB2 ARG A 19 -7.107 -4.773 6.314 1.00 33.24 H new ATOM 0 HB3 ARG A 19 -5.429 -4.563 6.774 1.00 33.24 H new ATOM 0 HG2 ARG A 19 -6.188 -3.418 8.895 1.00 23.34 H new ATOM 0 HG3 ARG A 19 -7.852 -3.727 8.440 1.00 23.34 H new ATOM 0 HD2 ARG A 19 -7.541 -6.140 8.630 1.00 51.13 H new ATOM 0 HD3 ARG A 19 -5.807 -5.962 8.813 1.00 51.13 H new ATOM 0 HE ARG A 19 -6.913 -4.456 10.917 1.00 4.15 H new ATOM 0 HH11 ARG A 19 -7.057 -7.868 9.910 1.00 0.11 H new ATOM 0 HH12 ARG A 19 -7.283 -8.450 11.563 1.00 0.11 H new ATOM 0 HH21 ARG A 19 -7.159 -5.254 13.018 1.00 44.24 H new ATOM 0 HH22 ARG A 19 -7.340 -6.989 13.300 1.00 44.24 H new ATOM 310 N GLU A 20 -4.151 -1.938 6.725 1.00 42.01 N ATOM 311 CA GLU A 20 -3.122 -1.170 7.449 1.00 51.42 C ATOM 312 C GLU A 20 -3.150 0.310 7.036 1.00 32.15 C ATOM 313 O GLU A 20 -3.155 1.196 7.898 1.00 23.22 O ATOM 314 CB GLU A 20 -1.704 -1.766 7.215 1.00 53.20 C ATOM 315 CG GLU A 20 -1.561 -3.267 7.541 1.00 12.20 C ATOM 316 CD GLU A 20 -2.091 -3.662 8.932 1.00 75.44 C ATOM 317 OE1 GLU A 20 -1.399 -3.392 9.938 1.00 64.14 O ATOM 318 OE2 GLU A 20 -3.199 -4.245 9.030 1.00 5.50 O ATOM 0 H GLU A 20 -3.772 -2.600 6.048 1.00 42.01 H new ATOM 0 HA GLU A 20 -3.350 -1.239 8.513 1.00 51.42 H new ATOM 0 HB2 GLU A 20 -1.429 -1.609 6.172 1.00 53.20 H new ATOM 0 HB3 GLU A 20 -0.989 -1.209 7.820 1.00 53.20 H new ATOM 0 HG2 GLU A 20 -2.092 -3.844 6.784 1.00 12.20 H new ATOM 0 HG3 GLU A 20 -0.509 -3.544 7.473 1.00 12.20 H new ATOM 325 N ILE A 21 -3.208 0.564 5.712 1.00 3.02 N ATOM 326 CA ILE A 21 -3.131 1.931 5.169 1.00 71.24 C ATOM 327 C ILE A 21 -4.386 2.747 5.550 1.00 53.43 C ATOM 328 O ILE A 21 -4.266 3.879 6.002 1.00 13.35 O ATOM 329 CB ILE A 21 -2.926 1.953 3.604 1.00 13.43 C ATOM 330 CG1 ILE A 21 -1.690 1.095 3.169 1.00 14.15 C ATOM 331 CG2 ILE A 21 -2.782 3.403 3.079 1.00 63.34 C ATOM 332 CD1 ILE A 21 -0.350 1.516 3.752 1.00 61.34 C ATOM 0 H ILE A 21 -3.308 -0.161 5.002 1.00 3.02 H new ATOM 0 HA ILE A 21 -2.252 2.393 5.619 1.00 71.24 H new ATOM 0 HB ILE A 21 -3.817 1.509 3.160 1.00 13.43 H new ATOM 0 HG12 ILE A 21 -1.876 0.058 3.448 1.00 14.15 H new ATOM 0 HG13 ILE A 21 -1.617 1.124 2.082 1.00 14.15 H new ATOM 0 HG21 ILE A 21 -2.642 3.386 1.998 1.00 63.34 H new ATOM 0 HG22 ILE A 21 -3.682 3.968 3.320 1.00 63.34 H new ATOM 0 HG23 ILE A 21 -1.920 3.876 3.549 1.00 63.34 H new ATOM 0 HD11 ILE A 21 0.432 0.853 3.383 1.00 61.34 H new ATOM 0 HD12 ILE A 21 -0.128 2.540 3.452 1.00 61.34 H new ATOM 0 HD13 ILE A 21 -0.392 1.457 4.840 1.00 61.34 H new ATOM 344 N ARG A 22 -5.583 2.156 5.379 1.00 41.11 N ATOM 345 CA ARG A 22 -6.866 2.836 5.690 1.00 20.23 C ATOM 346 C ARG A 22 -7.080 3.055 7.211 1.00 10.40 C ATOM 347 O ARG A 22 -7.766 4.007 7.603 1.00 34.30 O ATOM 348 CB ARG A 22 -8.058 2.043 5.083 1.00 75.21 C ATOM 349 CG ARG A 22 -8.079 1.979 3.537 1.00 4.44 C ATOM 350 CD ARG A 22 -8.233 3.356 2.874 1.00 73.34 C ATOM 351 NE ARG A 22 -9.490 4.002 3.271 1.00 51.21 N ATOM 352 CZ ARG A 22 -9.849 5.263 2.990 1.00 32.21 C ATOM 353 NH1 ARG A 22 -9.054 6.070 2.294 1.00 71.42 N ATOM 354 NH2 ARG A 22 -11.013 5.712 3.424 1.00 55.02 N ATOM 0 H ARG A 22 -5.694 1.205 5.026 1.00 41.11 H new ATOM 0 HA ARG A 22 -6.818 3.825 5.235 1.00 20.23 H new ATOM 0 HB2 ARG A 22 -8.035 1.026 5.474 1.00 75.21 H new ATOM 0 HB3 ARG A 22 -8.989 2.495 5.426 1.00 75.21 H new ATOM 0 HG2 ARG A 22 -7.156 1.516 3.187 1.00 4.44 H new ATOM 0 HG3 ARG A 22 -8.899 1.336 3.218 1.00 4.44 H new ATOM 0 HD2 ARG A 22 -7.392 3.991 3.151 1.00 73.34 H new ATOM 0 HD3 ARG A 22 -8.205 3.245 1.790 1.00 73.34 H new ATOM 0 HE ARG A 22 -10.150 3.441 3.809 1.00 51.21 H new ATOM 0 HH11 ARG A 22 -8.150 5.733 1.962 1.00 71.42 H new ATOM 0 HH12 ARG A 22 -9.348 7.026 2.092 1.00 71.42 H new ATOM 0 HH21 ARG A 22 -11.625 5.102 3.965 1.00 55.02 H new ATOM 0 HH22 ARG A 22 -11.299 6.669 3.218 1.00 55.02 H new ATOM 368 N GLU A 23 -6.502 2.169 8.051 1.00 73.22 N ATOM 369 CA GLU A 23 -6.617 2.266 9.528 1.00 65.21 C ATOM 370 C GLU A 23 -5.875 3.509 10.061 1.00 33.12 C ATOM 371 O GLU A 23 -6.397 4.273 10.887 1.00 12.42 O ATOM 372 CB GLU A 23 -6.037 0.986 10.197 1.00 42.11 C ATOM 373 CG GLU A 23 -6.193 0.909 11.734 1.00 34.14 C ATOM 374 CD GLU A 23 -7.646 0.657 12.197 1.00 30.42 C ATOM 375 OE1 GLU A 23 -8.485 1.582 12.130 1.00 22.15 O ATOM 376 OE2 GLU A 23 -7.957 -0.466 12.643 1.00 40.40 O ATOM 0 H GLU A 23 -5.948 1.374 7.732 1.00 73.22 H new ATOM 0 HA GLU A 23 -7.674 2.359 9.777 1.00 65.21 H new ATOM 0 HB2 GLU A 23 -6.522 0.115 9.756 1.00 42.11 H new ATOM 0 HB3 GLU A 23 -4.977 0.918 9.953 1.00 42.11 H new ATOM 0 HG2 GLU A 23 -5.555 0.112 12.116 1.00 34.14 H new ATOM 0 HG3 GLU A 23 -5.837 1.840 12.174 1.00 34.14 H new ATOM 383 N GLN A 24 -4.658 3.698 9.543 1.00 45.04 N ATOM 384 CA GLN A 24 -3.725 4.737 9.999 1.00 44.11 C ATOM 385 C GLN A 24 -4.027 6.055 9.263 1.00 2.34 C ATOM 386 O GLN A 24 -4.013 7.140 9.854 1.00 52.13 O ATOM 387 CB GLN A 24 -2.265 4.266 9.742 1.00 40.15 C ATOM 388 CG GLN A 24 -1.939 2.871 10.335 1.00 72.24 C ATOM 389 CD GLN A 24 -0.591 2.295 9.877 1.00 21.41 C ATOM 390 OE1 GLN A 24 0.366 3.027 9.642 1.00 74.35 O ATOM 391 NE2 GLN A 24 -0.517 0.978 9.730 1.00 41.12 N ATOM 0 H GLN A 24 -4.286 3.126 8.784 1.00 45.04 H new ATOM 0 HA GLN A 24 -3.845 4.910 11.068 1.00 44.11 H new ATOM 0 HB2 GLN A 24 -2.085 4.244 8.667 1.00 40.15 H new ATOM 0 HB3 GLN A 24 -1.578 4.999 10.165 1.00 40.15 H new ATOM 0 HG2 GLN A 24 -1.941 2.941 11.423 1.00 72.24 H new ATOM 0 HG3 GLN A 24 -2.732 2.176 10.058 1.00 72.24 H new ATOM 0 HE21 GLN A 24 -1.329 0.396 9.933 1.00 41.12 H new ATOM 0 HE22 GLN A 24 0.352 0.548 9.414 1.00 41.12 H new ATOM 400 N TRP A 25 -4.306 5.928 7.965 1.00 12.35 N ATOM 401 CA TRP A 25 -4.642 7.051 7.074 1.00 63.11 C ATOM 402 C TRP A 25 -6.055 6.846 6.466 1.00 53.23 C ATOM 403 O TRP A 25 -6.196 6.144 5.453 1.00 31.14 O ATOM 404 CB TRP A 25 -3.581 7.164 5.951 1.00 42.15 C ATOM 405 CG TRP A 25 -2.157 7.309 6.425 1.00 24.45 C ATOM 406 CD1 TRP A 25 -1.542 8.451 6.830 1.00 61.15 C ATOM 407 CD2 TRP A 25 -1.177 6.267 6.538 1.00 24.54 C ATOM 408 NE1 TRP A 25 -0.251 8.184 7.206 1.00 74.24 N ATOM 409 CE2 TRP A 25 -0.007 6.851 7.037 1.00 24.51 C ATOM 410 CE3 TRP A 25 -1.186 4.897 6.275 1.00 33.42 C ATOM 411 CZ2 TRP A 25 1.146 6.114 7.278 1.00 30.24 C ATOM 412 CZ3 TRP A 25 -0.043 4.164 6.510 1.00 1.15 C ATOM 413 CH2 TRP A 25 1.109 4.773 7.014 1.00 14.32 C ATOM 0 H TRP A 25 -4.306 5.026 7.489 1.00 12.35 H new ATOM 0 HA TRP A 25 -4.645 7.976 7.650 1.00 63.11 H new ATOM 0 HB2 TRP A 25 -3.648 6.278 5.319 1.00 42.15 H new ATOM 0 HB3 TRP A 25 -3.828 8.022 5.325 1.00 42.15 H new ATOM 0 HD1 TRP A 25 -2.003 9.427 6.852 1.00 61.15 H new ATOM 0 HE1 TRP A 25 0.419 8.870 7.555 1.00 74.24 H new ATOM 0 HE3 TRP A 25 -2.075 4.418 5.893 1.00 33.42 H new ATOM 0 HZ2 TRP A 25 2.040 6.584 7.660 1.00 30.24 H new ATOM 0 HZ3 TRP A 25 -0.038 3.104 6.302 1.00 1.15 H new ATOM 0 HH2 TRP A 25 1.988 4.173 7.199 1.00 14.32 H new ATOM 424 N PRO A 26 -7.130 7.429 7.084 1.00 13.40 N ATOM 425 CA PRO A 26 -8.519 7.333 6.549 1.00 70.33 C ATOM 426 C PRO A 26 -8.750 8.217 5.295 1.00 41.14 C ATOM 427 O PRO A 26 -9.722 8.021 4.558 1.00 23.21 O ATOM 428 CB PRO A 26 -9.376 7.806 7.749 1.00 24.23 C ATOM 429 CG PRO A 26 -8.489 8.759 8.493 1.00 31.22 C ATOM 430 CD PRO A 26 -7.088 8.200 8.364 1.00 11.55 C ATOM 0 HA PRO A 26 -8.764 6.329 6.201 1.00 70.33 H new ATOM 0 HB2 PRO A 26 -10.291 8.295 7.415 1.00 24.23 H new ATOM 0 HB3 PRO A 26 -9.674 6.968 8.379 1.00 24.23 H new ATOM 0 HG2 PRO A 26 -8.551 9.762 8.071 1.00 31.22 H new ATOM 0 HG3 PRO A 26 -8.786 8.835 9.539 1.00 31.22 H new ATOM 0 HD2 PRO A 26 -6.342 8.994 8.329 1.00 11.55 H new ATOM 0 HD3 PRO A 26 -6.833 7.560 9.209 1.00 11.55 H new ATOM 438 N LYS A 27 -7.875 9.217 5.090 1.00 22.00 N ATOM 439 CA LYS A 27 -7.943 10.153 3.947 1.00 54.24 C ATOM 440 C LYS A 27 -6.838 9.851 2.903 1.00 24.53 C ATOM 441 O LYS A 27 -6.394 10.745 2.172 1.00 64.32 O ATOM 442 CB LYS A 27 -7.867 11.612 4.482 1.00 45.33 C ATOM 443 CG LYS A 27 -8.987 11.956 5.500 1.00 55.21 C ATOM 444 CD LYS A 27 -8.968 13.426 5.982 1.00 0.32 C ATOM 445 CE LYS A 27 -7.676 13.811 6.723 1.00 13.10 C ATOM 446 NZ LYS A 27 -7.751 15.192 7.285 1.00 45.02 N ATOM 0 H LYS A 27 -7.092 9.402 5.717 1.00 22.00 H new ATOM 0 HA LYS A 27 -8.892 10.024 3.426 1.00 54.24 H new ATOM 0 HB2 LYS A 27 -6.897 11.768 4.954 1.00 45.33 H new ATOM 0 HB3 LYS A 27 -7.926 12.303 3.641 1.00 45.33 H new ATOM 0 HG2 LYS A 27 -9.955 11.746 5.045 1.00 55.21 H new ATOM 0 HG3 LYS A 27 -8.892 11.299 6.365 1.00 55.21 H new ATOM 0 HD2 LYS A 27 -9.094 14.084 5.122 1.00 0.32 H new ATOM 0 HD3 LYS A 27 -9.820 13.595 6.641 1.00 0.32 H new ATOM 0 HE2 LYS A 27 -7.493 13.100 7.529 1.00 13.10 H new ATOM 0 HE3 LYS A 27 -6.830 13.742 6.039 1.00 13.10 H new ATOM 0 HZ1 LYS A 27 -6.862 15.415 7.777 1.00 45.02 H new ATOM 0 HZ2 LYS A 27 -7.900 15.873 6.513 1.00 45.02 H new ATOM 0 HZ3 LYS A 27 -8.543 15.251 7.957 1.00 45.02 H new ATOM 460 N ALA A 28 -6.421 8.573 2.821 1.00 51.34 N ATOM 461 CA ALA A 28 -5.340 8.137 1.914 1.00 31.11 C ATOM 462 C ALA A 28 -5.989 7.377 0.765 1.00 65.21 C ATOM 463 O ALA A 28 -6.579 6.317 1.015 1.00 14.44 O ATOM 464 CB ALA A 28 -4.341 7.232 2.635 1.00 45.21 C ATOM 0 H ALA A 28 -6.821 7.817 3.378 1.00 51.34 H new ATOM 0 HA ALA A 28 -4.789 9.005 1.553 1.00 31.11 H new ATOM 0 HB1 ALA A 28 -3.558 6.928 1.940 1.00 45.21 H new ATOM 0 HB2 ALA A 28 -3.896 7.774 3.469 1.00 45.21 H new ATOM 0 HB3 ALA A 28 -4.856 6.348 3.010 1.00 45.21 H new ATOM 470 N THR A 29 -5.930 7.910 -0.460 1.00 31.43 N ATOM 471 CA THR A 29 -6.534 7.249 -1.622 1.00 12.42 C ATOM 472 C THR A 29 -5.834 5.901 -1.921 1.00 73.31 C ATOM 473 O THR A 29 -4.701 5.869 -2.424 1.00 40.01 O ATOM 474 CB THR A 29 -6.463 8.191 -2.868 1.00 51.01 C ATOM 475 OG1 THR A 29 -6.932 9.505 -2.499 1.00 22.20 O ATOM 476 CG2 THR A 29 -7.293 7.654 -4.063 1.00 53.01 C ATOM 0 H THR A 29 -5.471 8.796 -0.672 1.00 31.43 H new ATOM 0 HA THR A 29 -7.579 7.039 -1.395 1.00 12.42 H new ATOM 0 HB THR A 29 -5.423 8.235 -3.192 1.00 51.01 H new ATOM 0 HG1 THR A 29 -6.887 10.099 -3.277 1.00 22.20 H new ATOM 0 HG21 THR A 29 -7.211 8.344 -4.903 1.00 53.01 H new ATOM 0 HG22 THR A 29 -6.914 6.676 -4.359 1.00 53.01 H new ATOM 0 HG23 THR A 29 -8.339 7.564 -3.769 1.00 53.01 H new ATOM 484 N VAL A 30 -6.509 4.807 -1.544 1.00 22.03 N ATOM 485 CA VAL A 30 -6.127 3.437 -1.917 1.00 4.23 C ATOM 486 C VAL A 30 -7.053 2.980 -3.056 1.00 42.33 C ATOM 487 O VAL A 30 -8.268 3.212 -3.012 1.00 12.32 O ATOM 488 CB VAL A 30 -6.231 2.436 -0.696 1.00 32.41 C ATOM 489 CG1 VAL A 30 -5.772 1.008 -1.082 1.00 65.44 C ATOM 490 CG2 VAL A 30 -5.428 2.958 0.516 1.00 43.02 C ATOM 0 H VAL A 30 -7.347 4.848 -0.964 1.00 22.03 H new ATOM 0 HA VAL A 30 -5.085 3.435 -2.237 1.00 4.23 H new ATOM 0 HB VAL A 30 -7.282 2.378 -0.414 1.00 32.41 H new ATOM 0 HG11 VAL A 30 -5.859 0.351 -0.216 1.00 65.44 H new ATOM 0 HG12 VAL A 30 -6.400 0.630 -1.889 1.00 65.44 H new ATOM 0 HG13 VAL A 30 -4.734 1.037 -1.413 1.00 65.44 H new ATOM 0 HG21 VAL A 30 -5.516 2.252 1.342 1.00 43.02 H new ATOM 0 HG22 VAL A 30 -4.379 3.064 0.239 1.00 43.02 H new ATOM 0 HG23 VAL A 30 -5.822 3.927 0.823 1.00 43.02 H new ATOM 500 N THR A 31 -6.465 2.339 -4.058 1.00 64.22 N ATOM 501 CA THR A 31 -7.158 1.825 -5.232 1.00 34.23 C ATOM 502 C THR A 31 -6.752 0.360 -5.400 1.00 24.10 C ATOM 503 O THR A 31 -5.556 0.037 -5.387 1.00 30.24 O ATOM 504 CB THR A 31 -6.769 2.642 -6.513 1.00 43.11 C ATOM 505 OG1 THR A 31 -7.131 4.022 -6.335 1.00 30.22 O ATOM 506 CG2 THR A 31 -7.438 2.100 -7.790 1.00 64.13 C ATOM 0 H THR A 31 -5.462 2.157 -4.076 1.00 64.22 H new ATOM 0 HA THR A 31 -8.236 1.917 -5.100 1.00 34.23 H new ATOM 0 HB THR A 31 -5.691 2.542 -6.642 1.00 43.11 H new ATOM 0 HG1 THR A 31 -6.885 4.531 -7.136 1.00 30.22 H new ATOM 0 HG21 THR A 31 -7.133 2.704 -8.645 1.00 64.13 H new ATOM 0 HG22 THR A 31 -7.134 1.066 -7.949 1.00 64.13 H new ATOM 0 HG23 THR A 31 -8.522 2.147 -7.681 1.00 64.13 H new ATOM 514 N ARG A 32 -7.738 -0.518 -5.532 1.00 53.34 N ATOM 515 CA ARG A 32 -7.511 -1.945 -5.733 1.00 30.50 C ATOM 516 C ARG A 32 -7.663 -2.246 -7.227 1.00 30.42 C ATOM 517 O ARG A 32 -8.632 -1.808 -7.858 1.00 3.20 O ATOM 518 CB ARG A 32 -8.534 -2.747 -4.894 1.00 3.22 C ATOM 519 CG ARG A 32 -8.480 -4.283 -5.066 1.00 33.52 C ATOM 520 CD ARG A 32 -9.565 -4.994 -4.233 1.00 71.23 C ATOM 521 NE ARG A 32 -10.934 -4.534 -4.578 1.00 23.25 N ATOM 522 CZ ARG A 32 -11.782 -3.899 -3.742 1.00 11.25 C ATOM 523 NH1 ARG A 32 -11.435 -3.631 -2.487 1.00 1.02 N ATOM 524 NH2 ARG A 32 -12.985 -3.549 -4.173 1.00 25.44 N ATOM 0 H ARG A 32 -8.724 -0.259 -5.503 1.00 53.34 H new ATOM 0 HA ARG A 32 -6.510 -2.233 -5.410 1.00 30.50 H new ATOM 0 HB2 ARG A 32 -8.378 -2.511 -3.841 1.00 3.22 H new ATOM 0 HB3 ARG A 32 -9.536 -2.405 -5.152 1.00 3.22 H new ATOM 0 HG2 ARG A 32 -8.608 -4.535 -6.119 1.00 33.52 H new ATOM 0 HG3 ARG A 32 -7.497 -4.647 -4.768 1.00 33.52 H new ATOM 0 HD2 ARG A 32 -9.495 -6.070 -4.392 1.00 71.23 H new ATOM 0 HD3 ARG A 32 -9.381 -4.816 -3.173 1.00 71.23 H new ATOM 0 HE ARG A 32 -11.261 -4.713 -5.527 1.00 23.25 H new ATOM 0 HH11 ARG A 32 -10.515 -3.906 -2.142 1.00 1.02 H new ATOM 0 HH12 ARG A 32 -12.088 -3.150 -1.869 1.00 1.02 H new ATOM 0 HH21 ARG A 32 -13.265 -3.760 -5.131 1.00 25.44 H new ATOM 0 HH22 ARG A 32 -13.631 -3.069 -3.547 1.00 25.44 H new ATOM 538 N THR A 33 -6.696 -2.977 -7.781 1.00 3.31 N ATOM 539 CA THR A 33 -6.716 -3.459 -9.168 1.00 74.02 C ATOM 540 C THR A 33 -6.321 -4.942 -9.119 1.00 35.51 C ATOM 541 O THR A 33 -5.530 -5.328 -8.242 1.00 72.22 O ATOM 542 CB THR A 33 -5.725 -2.658 -10.108 1.00 41.51 C ATOM 543 OG1 THR A 33 -4.370 -2.756 -9.636 1.00 22.31 O ATOM 544 CG2 THR A 33 -6.098 -1.165 -10.220 1.00 34.22 C ATOM 0 H THR A 33 -5.859 -3.258 -7.271 1.00 3.31 H new ATOM 0 HA THR A 33 -7.709 -3.313 -9.592 1.00 74.02 H new ATOM 0 HB THR A 33 -5.812 -3.115 -11.094 1.00 41.51 H new ATOM 0 HG1 THR A 33 -4.367 -3.105 -8.720 1.00 22.31 H new ATOM 0 HG21 THR A 33 -5.388 -0.661 -10.875 1.00 34.22 H new ATOM 0 HG22 THR A 33 -7.103 -1.071 -10.632 1.00 34.22 H new ATOM 0 HG23 THR A 33 -6.067 -0.707 -9.231 1.00 34.22 H new ATOM 552 N ASN A 34 -6.871 -5.790 -10.004 1.00 43.24 N ATOM 553 CA ASN A 34 -6.439 -7.200 -10.082 1.00 32.54 C ATOM 554 C ASN A 34 -4.944 -7.276 -10.465 1.00 1.52 C ATOM 555 O ASN A 34 -4.570 -6.998 -11.613 1.00 55.15 O ATOM 556 CB ASN A 34 -7.302 -7.985 -11.112 1.00 23.03 C ATOM 557 CG ASN A 34 -8.776 -8.079 -10.711 1.00 22.32 C ATOM 558 OD1 ASN A 34 -9.186 -8.999 -10.006 1.00 25.12 O ATOM 559 ND2 ASN A 34 -9.581 -7.134 -11.164 1.00 33.44 N ATOM 0 H ASN A 34 -7.603 -5.532 -10.666 1.00 43.24 H new ATOM 0 HA ASN A 34 -6.577 -7.658 -9.103 1.00 32.54 H new ATOM 0 HB2 ASN A 34 -7.226 -7.500 -12.085 1.00 23.03 H new ATOM 0 HB3 ASN A 34 -6.897 -8.991 -11.225 1.00 23.03 H new ATOM 0 HD21 ASN A 34 -10.574 -7.155 -10.931 1.00 33.44 H new ATOM 0 HD22 ASN A 34 -9.210 -6.384 -11.747 1.00 33.44 H new ATOM 566 N GLY A 35 -4.106 -7.591 -9.468 1.00 30.03 N ATOM 567 CA GLY A 35 -2.664 -7.747 -9.657 1.00 14.13 C ATOM 568 C GLY A 35 -1.872 -6.868 -8.705 1.00 24.23 C ATOM 569 O GLY A 35 -0.873 -7.313 -8.120 1.00 52.31 O ATOM 0 H GLY A 35 -4.413 -7.744 -8.507 1.00 30.03 H new ATOM 0 HA2 GLY A 35 -2.388 -8.790 -9.503 1.00 14.13 H new ATOM 0 HA3 GLY A 35 -2.403 -7.497 -10.685 1.00 14.13 H new ATOM 573 N ASP A 36 -2.331 -5.612 -8.533 1.00 10.21 N ATOM 574 CA ASP A 36 -1.593 -4.578 -7.771 1.00 54.13 C ATOM 575 C ASP A 36 -2.535 -3.751 -6.870 1.00 52.43 C ATOM 576 O ASP A 36 -3.730 -3.634 -7.130 1.00 52.15 O ATOM 577 CB ASP A 36 -0.849 -3.608 -8.740 1.00 41.14 C ATOM 578 CG ASP A 36 0.198 -4.283 -9.641 1.00 24.05 C ATOM 579 OD1 ASP A 36 1.209 -4.780 -9.118 1.00 31.04 O ATOM 580 OD2 ASP A 36 0.022 -4.312 -10.882 1.00 74.15 O ATOM 0 H ASP A 36 -3.218 -5.285 -8.915 1.00 10.21 H new ATOM 0 HA ASP A 36 -0.873 -5.102 -7.142 1.00 54.13 H new ATOM 0 HB2 ASP A 36 -1.585 -3.110 -9.371 1.00 41.14 H new ATOM 0 HB3 ASP A 36 -0.358 -2.833 -8.151 1.00 41.14 H new ATOM 585 N ILE A 37 -1.967 -3.179 -5.798 1.00 11.41 N ATOM 586 CA ILE A 37 -2.637 -2.162 -4.965 1.00 64.24 C ATOM 587 C ILE A 37 -1.974 -0.803 -5.232 1.00 3.15 C ATOM 588 O ILE A 37 -0.817 -0.592 -4.866 1.00 33.23 O ATOM 589 CB ILE A 37 -2.569 -2.521 -3.425 1.00 42.14 C ATOM 590 CG1 ILE A 37 -3.265 -3.894 -3.139 1.00 73.22 C ATOM 591 CG2 ILE A 37 -3.183 -1.395 -2.549 1.00 33.40 C ATOM 592 CD1 ILE A 37 -4.763 -3.942 -3.438 1.00 51.30 C ATOM 0 H ILE A 37 -1.025 -3.408 -5.481 1.00 11.41 H new ATOM 0 HA ILE A 37 -3.693 -2.127 -5.232 1.00 64.24 H new ATOM 0 HB ILE A 37 -1.517 -2.610 -3.155 1.00 42.14 H new ATOM 0 HG12 ILE A 37 -2.769 -4.664 -3.729 1.00 73.22 H new ATOM 0 HG13 ILE A 37 -3.112 -4.148 -2.090 1.00 73.22 H new ATOM 0 HG21 ILE A 37 -3.119 -1.676 -1.498 1.00 33.40 H new ATOM 0 HG22 ILE A 37 -2.634 -0.468 -2.711 1.00 33.40 H new ATOM 0 HG23 ILE A 37 -4.228 -1.250 -2.823 1.00 33.40 H new ATOM 0 HD11 ILE A 37 -5.149 -4.935 -3.207 1.00 51.30 H new ATOM 0 HD12 ILE A 37 -5.280 -3.201 -2.828 1.00 51.30 H new ATOM 0 HD13 ILE A 37 -4.931 -3.725 -4.493 1.00 51.30 H new ATOM 604 N LYS A 38 -2.700 0.102 -5.893 1.00 15.52 N ATOM 605 CA LYS A 38 -2.221 1.462 -6.154 1.00 11.12 C ATOM 606 C LYS A 38 -2.534 2.332 -4.932 1.00 61.11 C ATOM 607 O LYS A 38 -3.608 2.225 -4.341 1.00 31.52 O ATOM 608 CB LYS A 38 -2.891 2.039 -7.428 1.00 54.23 C ATOM 609 CG LYS A 38 -2.486 3.500 -7.762 1.00 31.15 C ATOM 610 CD LYS A 38 -3.119 4.051 -9.069 1.00 54.20 C ATOM 611 CE LYS A 38 -2.474 3.503 -10.363 1.00 54.30 C ATOM 612 NZ LYS A 38 -2.696 2.045 -10.573 1.00 50.54 N ATOM 0 H LYS A 38 -3.633 -0.086 -6.261 1.00 15.52 H new ATOM 0 HA LYS A 38 -1.145 1.449 -6.326 1.00 11.12 H new ATOM 0 HB2 LYS A 38 -2.639 1.402 -8.276 1.00 54.23 H new ATOM 0 HB3 LYS A 38 -3.973 1.994 -7.306 1.00 54.23 H new ATOM 0 HG2 LYS A 38 -2.775 4.144 -6.932 1.00 31.15 H new ATOM 0 HG3 LYS A 38 -1.401 3.555 -7.846 1.00 31.15 H new ATOM 0 HD2 LYS A 38 -4.182 3.809 -9.075 1.00 54.20 H new ATOM 0 HD3 LYS A 38 -3.039 5.138 -9.068 1.00 54.20 H new ATOM 0 HE2 LYS A 38 -2.874 4.049 -11.217 1.00 54.30 H new ATOM 0 HE3 LYS A 38 -1.402 3.698 -10.334 1.00 54.30 H new ATOM 0 HZ1 LYS A 38 -2.785 1.850 -11.591 1.00 50.54 H new ATOM 0 HZ2 LYS A 38 -1.890 1.512 -10.188 1.00 50.54 H new ATOM 0 HZ3 LYS A 38 -3.568 1.753 -10.087 1.00 50.54 H new ATOM 626 N LEU A 39 -1.577 3.177 -4.561 1.00 32.31 N ATOM 627 CA LEU A 39 -1.668 4.031 -3.375 1.00 1.22 C ATOM 628 C LEU A 39 -1.165 5.434 -3.725 1.00 72.11 C ATOM 629 O LEU A 39 -0.238 5.576 -4.522 1.00 74.30 O ATOM 630 CB LEU A 39 -0.846 3.382 -2.225 1.00 2.24 C ATOM 631 CG LEU A 39 -0.751 4.163 -0.877 1.00 24.41 C ATOM 632 CD1 LEU A 39 -2.142 4.574 -0.340 1.00 61.21 C ATOM 633 CD2 LEU A 39 0.023 3.323 0.160 1.00 30.14 C ATOM 0 H LEU A 39 -0.706 3.291 -5.079 1.00 32.31 H new ATOM 0 HA LEU A 39 -2.701 4.125 -3.039 1.00 1.22 H new ATOM 0 HB2 LEU A 39 -1.275 2.402 -2.016 1.00 2.24 H new ATOM 0 HB3 LEU A 39 0.168 3.215 -2.589 1.00 2.24 H new ATOM 0 HG LEU A 39 -0.206 5.089 -1.062 1.00 24.41 H new ATOM 0 HD11 LEU A 39 -2.024 5.115 0.599 1.00 61.21 H new ATOM 0 HD12 LEU A 39 -2.638 5.216 -1.068 1.00 61.21 H new ATOM 0 HD13 LEU A 39 -2.745 3.682 -0.172 1.00 61.21 H new ATOM 0 HD21 LEU A 39 0.087 3.873 1.099 1.00 30.14 H new ATOM 0 HD22 LEU A 39 -0.498 2.380 0.326 1.00 30.14 H new ATOM 0 HD23 LEU A 39 1.028 3.122 -0.211 1.00 30.14 H new ATOM 645 N ASP A 40 -1.791 6.460 -3.135 1.00 14.43 N ATOM 646 CA ASP A 40 -1.397 7.857 -3.334 1.00 73.13 C ATOM 647 C ASP A 40 -1.113 8.486 -1.964 1.00 60.04 C ATOM 648 O ASP A 40 -2.032 8.688 -1.154 1.00 21.24 O ATOM 649 CB ASP A 40 -2.490 8.646 -4.100 1.00 73.43 C ATOM 650 CG ASP A 40 -1.994 10.034 -4.544 1.00 53.20 C ATOM 651 OD1 ASP A 40 -1.246 10.110 -5.542 1.00 71.11 O ATOM 652 OD2 ASP A 40 -2.328 11.050 -3.899 1.00 65.42 O ATOM 0 H ASP A 40 -2.585 6.343 -2.506 1.00 14.43 H new ATOM 0 HA ASP A 40 -0.495 7.897 -3.945 1.00 73.13 H new ATOM 0 HB2 ASP A 40 -2.803 8.076 -4.975 1.00 73.43 H new ATOM 0 HB3 ASP A 40 -3.367 8.761 -3.464 1.00 73.43 H new ATOM 657 N ALA A 41 0.174 8.730 -1.700 1.00 31.44 N ATOM 658 CA ALA A 41 0.636 9.406 -0.490 1.00 20.04 C ATOM 659 C ALA A 41 0.559 10.917 -0.698 1.00 51.14 C ATOM 660 O ALA A 41 1.103 11.443 -1.676 1.00 0.23 O ATOM 661 CB ALA A 41 2.063 8.979 -0.157 1.00 0.15 C ATOM 0 H ALA A 41 0.930 8.460 -2.329 1.00 31.44 H new ATOM 0 HA ALA A 41 -0.003 9.128 0.349 1.00 20.04 H new ATOM 0 HB1 ALA A 41 2.394 9.490 0.747 1.00 0.15 H new ATOM 0 HB2 ALA A 41 2.092 7.901 0.005 1.00 0.15 H new ATOM 0 HB3 ALA A 41 2.723 9.240 -0.984 1.00 0.15 H new ATOM 667 N GLN A 42 -0.119 11.600 0.235 1.00 32.45 N ATOM 668 CA GLN A 42 -0.390 13.047 0.146 1.00 15.33 C ATOM 669 C GLN A 42 0.878 13.881 0.430 1.00 62.13 C ATOM 670 O GLN A 42 0.925 15.070 0.098 1.00 34.42 O ATOM 671 CB GLN A 42 -1.538 13.447 1.114 1.00 72.44 C ATOM 672 CG GLN A 42 -2.843 12.626 0.979 1.00 51.44 C ATOM 673 CD GLN A 42 -3.359 12.493 -0.461 1.00 5.13 C ATOM 674 OE1 GLN A 42 -4.073 13.361 -0.965 1.00 13.10 O ATOM 675 NE2 GLN A 42 -3.031 11.397 -1.118 1.00 11.01 N ATOM 0 H GLN A 42 -0.497 11.165 1.077 1.00 32.45 H new ATOM 0 HA GLN A 42 -0.704 13.263 -0.875 1.00 15.33 H new ATOM 0 HB2 GLN A 42 -1.175 13.353 2.138 1.00 72.44 H new ATOM 0 HB3 GLN A 42 -1.774 14.499 0.954 1.00 72.44 H new ATOM 0 HG2 GLN A 42 -2.675 11.629 1.386 1.00 51.44 H new ATOM 0 HG3 GLN A 42 -3.617 13.093 1.588 1.00 51.44 H new ATOM 0 HE21 GLN A 42 -2.438 10.695 -0.675 1.00 11.01 H new ATOM 0 HE22 GLN A 42 -3.370 11.252 -2.069 1.00 11.01 H new ATOM 684 N THR A 43 1.884 13.246 1.068 1.00 3.25 N ATOM 685 CA THR A 43 3.224 13.830 1.254 1.00 61.44 C ATOM 686 C THR A 43 4.304 12.718 1.240 1.00 42.04 C ATOM 687 O THR A 43 4.007 11.540 1.494 1.00 72.13 O ATOM 688 CB THR A 43 3.315 14.725 2.549 1.00 31.34 C ATOM 689 OG1 THR A 43 4.576 15.414 2.603 1.00 11.12 O ATOM 690 CG2 THR A 43 3.101 13.938 3.850 1.00 62.04 C ATOM 0 H THR A 43 1.787 12.313 1.468 1.00 3.25 H new ATOM 0 HA THR A 43 3.414 14.498 0.414 1.00 61.44 H new ATOM 0 HB THR A 43 2.500 15.445 2.473 1.00 31.34 H new ATOM 0 HG1 THR A 43 4.613 15.965 3.412 1.00 11.12 H new ATOM 0 HG21 THR A 43 3.177 14.615 4.701 1.00 62.04 H new ATOM 0 HG22 THR A 43 2.113 13.478 3.839 1.00 62.04 H new ATOM 0 HG23 THR A 43 3.861 13.162 3.935 1.00 62.04 H new ATOM 698 N GLU A 44 5.551 13.122 0.933 1.00 55.05 N ATOM 699 CA GLU A 44 6.685 12.204 0.653 1.00 65.30 C ATOM 700 C GLU A 44 7.119 11.389 1.899 1.00 25.43 C ATOM 701 O GLU A 44 7.423 10.198 1.792 1.00 12.34 O ATOM 702 CB GLU A 44 7.900 12.993 0.045 1.00 4.53 C ATOM 703 CG GLU A 44 8.655 13.965 0.991 1.00 64.43 C ATOM 704 CD GLU A 44 7.776 15.079 1.594 1.00 24.25 C ATOM 705 OE1 GLU A 44 7.354 15.986 0.840 1.00 50.23 O ATOM 706 OE2 GLU A 44 7.466 15.028 2.807 1.00 32.24 O ATOM 0 H GLU A 44 5.809 14.107 0.870 1.00 55.05 H new ATOM 0 HA GLU A 44 6.333 11.481 -0.083 1.00 65.30 H new ATOM 0 HB2 GLU A 44 8.618 12.267 -0.337 1.00 4.53 H new ATOM 0 HB3 GLU A 44 7.539 13.565 -0.810 1.00 4.53 H new ATOM 0 HG2 GLU A 44 9.099 13.390 1.803 1.00 64.43 H new ATOM 0 HG3 GLU A 44 9.475 14.425 0.440 1.00 64.43 H new ATOM 713 N LYS A 45 7.110 12.038 3.074 1.00 3.24 N ATOM 714 CA LYS A 45 7.526 11.423 4.356 1.00 54.12 C ATOM 715 C LYS A 45 6.452 10.444 4.880 1.00 30.23 C ATOM 716 O LYS A 45 6.738 9.564 5.701 1.00 72.21 O ATOM 717 CB LYS A 45 7.821 12.553 5.377 1.00 2.33 C ATOM 718 CG LYS A 45 8.324 12.089 6.765 1.00 32.31 C ATOM 719 CD LYS A 45 8.778 13.269 7.666 1.00 14.31 C ATOM 720 CE LYS A 45 7.678 14.328 7.884 1.00 53.54 C ATOM 721 NZ LYS A 45 8.169 15.496 8.676 1.00 44.35 N ATOM 0 H LYS A 45 6.813 13.009 3.168 1.00 3.24 H new ATOM 0 HA LYS A 45 8.431 10.836 4.204 1.00 54.12 H new ATOM 0 HB2 LYS A 45 8.566 13.222 4.946 1.00 2.33 H new ATOM 0 HB3 LYS A 45 6.912 13.137 5.517 1.00 2.33 H new ATOM 0 HG2 LYS A 45 7.530 11.538 7.269 1.00 32.31 H new ATOM 0 HG3 LYS A 45 9.156 11.398 6.632 1.00 32.31 H new ATOM 0 HD2 LYS A 45 9.093 12.878 8.633 1.00 14.31 H new ATOM 0 HD3 LYS A 45 9.648 13.747 7.216 1.00 14.31 H new ATOM 0 HE2 LYS A 45 7.313 14.674 6.917 1.00 53.54 H new ATOM 0 HE3 LYS A 45 6.833 13.871 8.399 1.00 53.54 H new ATOM 0 HZ1 LYS A 45 7.397 16.182 8.798 1.00 44.35 H new ATOM 0 HZ2 LYS A 45 8.494 15.171 9.609 1.00 44.35 H new ATOM 0 HZ3 LYS A 45 8.958 15.949 8.173 1.00 44.35 H new ATOM 735 N GLU A 46 5.228 10.575 4.334 1.00 14.04 N ATOM 736 CA GLU A 46 4.087 9.720 4.676 1.00 4.35 C ATOM 737 C GLU A 46 4.158 8.438 3.829 1.00 11.10 C ATOM 738 O GLU A 46 3.840 7.356 4.316 1.00 14.12 O ATOM 739 CB GLU A 46 2.774 10.494 4.417 1.00 24.43 C ATOM 740 CG GLU A 46 1.471 9.699 4.587 1.00 22.24 C ATOM 741 CD GLU A 46 0.221 10.556 4.308 1.00 10.32 C ATOM 742 OE1 GLU A 46 -0.112 10.770 3.118 1.00 64.51 O ATOM 743 OE2 GLU A 46 -0.417 11.040 5.269 1.00 14.34 O ATOM 0 H GLU A 46 5.007 11.286 3.637 1.00 14.04 H new ATOM 0 HA GLU A 46 4.115 9.443 5.730 1.00 4.35 H new ATOM 0 HB2 GLU A 46 2.743 11.350 5.091 1.00 24.43 H new ATOM 0 HB3 GLU A 46 2.804 10.889 3.401 1.00 24.43 H new ATOM 0 HG2 GLU A 46 1.480 8.843 3.912 1.00 22.24 H new ATOM 0 HG3 GLU A 46 1.419 9.304 5.602 1.00 22.24 H new ATOM 750 N ALA A 47 4.603 8.593 2.555 1.00 3.13 N ATOM 751 CA ALA A 47 4.846 7.468 1.620 1.00 14.43 C ATOM 752 C ALA A 47 5.783 6.402 2.203 1.00 33.14 C ATOM 753 O ALA A 47 5.577 5.210 1.992 1.00 11.44 O ATOM 754 CB ALA A 47 5.427 7.991 0.302 1.00 72.21 C ATOM 0 H ALA A 47 4.803 9.506 2.148 1.00 3.13 H new ATOM 0 HA ALA A 47 3.880 6.994 1.444 1.00 14.43 H new ATOM 0 HB1 ALA A 47 5.601 7.155 -0.376 1.00 72.21 H new ATOM 0 HB2 ALA A 47 4.724 8.688 -0.154 1.00 72.21 H new ATOM 0 HB3 ALA A 47 6.370 8.502 0.497 1.00 72.21 H new ATOM 760 N GLU A 48 6.800 6.868 2.937 1.00 42.40 N ATOM 761 CA GLU A 48 7.822 6.010 3.555 1.00 3.25 C ATOM 762 C GLU A 48 7.217 5.114 4.664 1.00 63.44 C ATOM 763 O GLU A 48 7.645 3.976 4.859 1.00 4.32 O ATOM 764 CB GLU A 48 8.958 6.901 4.114 1.00 74.43 C ATOM 765 CG GLU A 48 9.565 7.882 3.085 1.00 32.31 C ATOM 766 CD GLU A 48 10.089 7.192 1.806 1.00 31.15 C ATOM 767 OE1 GLU A 48 11.096 6.453 1.892 1.00 74.42 O ATOM 768 OE2 GLU A 48 9.499 7.378 0.709 1.00 3.12 O ATOM 0 H GLU A 48 6.940 7.861 3.122 1.00 42.40 H new ATOM 0 HA GLU A 48 8.228 5.340 2.797 1.00 3.25 H new ATOM 0 HB2 GLU A 48 8.573 7.472 4.959 1.00 74.43 H new ATOM 0 HB3 GLU A 48 9.751 6.259 4.498 1.00 74.43 H new ATOM 0 HG2 GLU A 48 8.810 8.617 2.807 1.00 32.31 H new ATOM 0 HG3 GLU A 48 10.384 8.427 3.555 1.00 32.31 H new ATOM 775 N LYS A 49 6.222 5.667 5.372 1.00 71.44 N ATOM 776 CA LYS A 49 5.473 4.971 6.441 1.00 24.21 C ATOM 777 C LYS A 49 4.439 3.979 5.835 1.00 21.10 C ATOM 778 O LYS A 49 4.211 2.877 6.356 1.00 73.20 O ATOM 779 CB LYS A 49 4.743 6.036 7.298 1.00 30.14 C ATOM 780 CG LYS A 49 5.654 7.147 7.861 1.00 52.01 C ATOM 781 CD LYS A 49 4.869 8.210 8.660 1.00 50.42 C ATOM 782 CE LYS A 49 5.777 9.305 9.247 1.00 1.22 C ATOM 783 NZ LYS A 49 5.020 10.243 10.123 1.00 11.03 N ATOM 0 H LYS A 49 5.906 6.625 5.220 1.00 71.44 H new ATOM 0 HA LYS A 49 6.166 4.398 7.057 1.00 24.21 H new ATOM 0 HB2 LYS A 49 3.963 6.497 6.692 1.00 30.14 H new ATOM 0 HB3 LYS A 49 4.247 5.536 8.130 1.00 30.14 H new ATOM 0 HG2 LYS A 49 6.411 6.700 8.505 1.00 52.01 H new ATOM 0 HG3 LYS A 49 6.181 7.631 7.039 1.00 52.01 H new ATOM 0 HD2 LYS A 49 4.125 8.671 8.010 1.00 50.42 H new ATOM 0 HD3 LYS A 49 4.326 7.722 9.469 1.00 50.42 H new ATOM 0 HE2 LYS A 49 6.581 8.842 9.820 1.00 1.22 H new ATOM 0 HE3 LYS A 49 6.244 9.863 8.436 1.00 1.22 H new ATOM 0 HZ1 LYS A 49 5.667 10.966 10.499 1.00 11.03 H new ATOM 0 HZ2 LYS A 49 4.269 10.704 9.571 1.00 11.03 H new ATOM 0 HZ3 LYS A 49 4.595 9.715 10.912 1.00 11.03 H new ATOM 797 N MET A 50 3.786 4.473 4.772 1.00 41.50 N ATOM 798 CA MET A 50 2.799 3.725 3.960 1.00 53.35 C ATOM 799 C MET A 50 3.384 2.396 3.447 1.00 73.31 C ATOM 800 O MET A 50 2.892 1.312 3.791 1.00 74.12 O ATOM 801 CB MET A 50 2.278 4.589 2.780 1.00 53.10 C ATOM 802 CG MET A 50 1.258 5.655 3.173 1.00 13.30 C ATOM 803 SD MET A 50 0.604 6.518 1.734 1.00 1.21 S ATOM 804 CE MET A 50 -0.769 7.407 2.449 1.00 11.22 C ATOM 0 H MET A 50 3.929 5.427 4.441 1.00 41.50 H new ATOM 0 HA MET A 50 1.954 3.489 4.607 1.00 53.35 H new ATOM 0 HB2 MET A 50 3.127 5.077 2.302 1.00 53.10 H new ATOM 0 HB3 MET A 50 1.828 3.931 2.037 1.00 53.10 H new ATOM 0 HG2 MET A 50 0.439 5.190 3.721 1.00 13.30 H new ATOM 0 HG3 MET A 50 1.725 6.374 3.847 1.00 13.30 H new ATOM 0 HE1 MET A 50 -1.413 7.783 1.654 1.00 11.22 H new ATOM 0 HE2 MET A 50 -1.340 6.738 3.093 1.00 11.22 H new ATOM 0 HE3 MET A 50 -0.394 8.244 3.038 1.00 11.22 H new ATOM 814 N GLU A 51 4.445 2.504 2.636 1.00 14.20 N ATOM 815 CA GLU A 51 5.152 1.345 2.059 1.00 63.44 C ATOM 816 C GLU A 51 5.738 0.417 3.147 1.00 40.51 C ATOM 817 O GLU A 51 5.932 -0.765 2.902 1.00 65.45 O ATOM 818 CB GLU A 51 6.278 1.823 1.119 1.00 25.11 C ATOM 819 CG GLU A 51 7.438 2.560 1.810 1.00 52.50 C ATOM 820 CD GLU A 51 8.619 2.811 0.877 1.00 11.33 C ATOM 821 OE1 GLU A 51 8.402 3.398 -0.199 1.00 41.12 O ATOM 822 OE2 GLU A 51 9.766 2.420 1.205 1.00 11.15 O ATOM 0 H GLU A 51 4.842 3.402 2.358 1.00 14.20 H new ATOM 0 HA GLU A 51 4.419 0.769 1.494 1.00 63.44 H new ATOM 0 HB2 GLU A 51 6.681 0.958 0.591 1.00 25.11 H new ATOM 0 HB3 GLU A 51 5.846 2.483 0.367 1.00 25.11 H new ATOM 0 HG2 GLU A 51 7.078 3.513 2.197 1.00 52.50 H new ATOM 0 HG3 GLU A 51 7.775 1.976 2.666 1.00 52.50 H new ATOM 829 N LYS A 52 6.015 0.985 4.336 1.00 4.44 N ATOM 830 CA LYS A 52 6.532 0.239 5.495 1.00 0.31 C ATOM 831 C LYS A 52 5.425 -0.645 6.102 1.00 21.12 C ATOM 832 O LYS A 52 5.686 -1.796 6.455 1.00 31.22 O ATOM 833 CB LYS A 52 7.109 1.234 6.534 1.00 71.43 C ATOM 834 CG LYS A 52 7.715 0.597 7.803 1.00 74.03 C ATOM 835 CD LYS A 52 8.464 1.632 8.683 1.00 43.35 C ATOM 836 CE LYS A 52 7.563 2.793 9.141 1.00 52.41 C ATOM 837 NZ LYS A 52 8.330 3.832 9.881 1.00 50.10 N ATOM 0 H LYS A 52 5.885 1.980 4.519 1.00 4.44 H new ATOM 0 HA LYS A 52 7.336 -0.424 5.176 1.00 0.31 H new ATOM 0 HB2 LYS A 52 7.878 1.834 6.048 1.00 71.43 H new ATOM 0 HB3 LYS A 52 6.315 1.917 6.836 1.00 71.43 H new ATOM 0 HG2 LYS A 52 6.921 0.133 8.388 1.00 74.03 H new ATOM 0 HG3 LYS A 52 8.404 -0.197 7.514 1.00 74.03 H new ATOM 0 HD2 LYS A 52 8.872 1.128 9.559 1.00 43.35 H new ATOM 0 HD3 LYS A 52 9.309 2.033 8.123 1.00 43.35 H new ATOM 0 HE2 LYS A 52 7.084 3.245 8.273 1.00 52.41 H new ATOM 0 HE3 LYS A 52 6.768 2.406 9.778 1.00 52.41 H new ATOM 0 HZ1 LYS A 52 7.688 4.596 10.172 1.00 50.10 H new ATOM 0 HZ2 LYS A 52 8.767 3.407 10.724 1.00 50.10 H new ATOM 0 HZ3 LYS A 52 9.073 4.220 9.265 1.00 50.10 H new ATOM 851 N ALA A 53 4.186 -0.102 6.178 1.00 40.33 N ATOM 852 CA ALA A 53 2.994 -0.864 6.629 1.00 2.51 C ATOM 853 C ALA A 53 2.740 -2.060 5.694 1.00 1.41 C ATOM 854 O ALA A 53 2.427 -3.172 6.144 1.00 50.31 O ATOM 855 CB ALA A 53 1.751 0.045 6.674 1.00 75.21 C ATOM 0 H ALA A 53 3.985 0.867 5.931 1.00 40.33 H new ATOM 0 HA ALA A 53 3.187 -1.236 7.635 1.00 2.51 H new ATOM 0 HB1 ALA A 53 0.889 -0.533 7.007 1.00 75.21 H new ATOM 0 HB2 ALA A 53 1.926 0.867 7.368 1.00 75.21 H new ATOM 0 HB3 ALA A 53 1.557 0.445 5.679 1.00 75.21 H new ATOM 861 N VAL A 54 2.880 -1.781 4.385 1.00 33.23 N ATOM 862 CA VAL A 54 2.855 -2.787 3.308 1.00 30.43 C ATOM 863 C VAL A 54 3.918 -3.899 3.532 1.00 31.41 C ATOM 864 O VAL A 54 3.592 -5.086 3.507 1.00 11.00 O ATOM 865 CB VAL A 54 3.099 -2.080 1.922 1.00 50.22 C ATOM 866 CG1 VAL A 54 3.285 -3.087 0.771 1.00 3.23 C ATOM 867 CG2 VAL A 54 1.971 -1.067 1.609 1.00 45.22 C ATOM 0 H VAL A 54 3.016 -0.831 4.040 1.00 33.23 H new ATOM 0 HA VAL A 54 1.875 -3.264 3.314 1.00 30.43 H new ATOM 0 HB VAL A 54 4.036 -1.530 2.007 1.00 50.22 H new ATOM 0 HG11 VAL A 54 3.450 -2.547 -0.162 1.00 3.23 H new ATOM 0 HG12 VAL A 54 4.146 -3.723 0.979 1.00 3.23 H new ATOM 0 HG13 VAL A 54 2.391 -3.704 0.680 1.00 3.23 H new ATOM 0 HG21 VAL A 54 2.164 -0.593 0.647 1.00 45.22 H new ATOM 0 HG22 VAL A 54 1.014 -1.588 1.571 1.00 45.22 H new ATOM 0 HG23 VAL A 54 1.939 -0.306 2.388 1.00 45.22 H new ATOM 877 N LYS A 55 5.183 -3.487 3.736 1.00 3.32 N ATOM 878 CA LYS A 55 6.317 -4.414 3.970 1.00 34.45 C ATOM 879 C LYS A 55 6.144 -5.266 5.250 1.00 63.32 C ATOM 880 O LYS A 55 6.683 -6.376 5.323 1.00 44.02 O ATOM 881 CB LYS A 55 7.664 -3.639 3.998 1.00 11.53 C ATOM 882 CG LYS A 55 8.073 -3.023 2.643 1.00 61.14 C ATOM 883 CD LYS A 55 9.353 -2.165 2.751 1.00 21.42 C ATOM 884 CE LYS A 55 9.732 -1.479 1.428 1.00 1.01 C ATOM 885 NZ LYS A 55 9.950 -2.452 0.319 1.00 2.42 N ATOM 0 H LYS A 55 5.453 -2.503 3.744 1.00 3.32 H new ATOM 0 HA LYS A 55 6.329 -5.112 3.133 1.00 34.45 H new ATOM 0 HB2 LYS A 55 7.596 -2.843 4.740 1.00 11.53 H new ATOM 0 HB3 LYS A 55 8.452 -4.316 4.328 1.00 11.53 H new ATOM 0 HG2 LYS A 55 8.233 -3.821 1.917 1.00 61.14 H new ATOM 0 HG3 LYS A 55 7.257 -2.408 2.265 1.00 61.14 H new ATOM 0 HD2 LYS A 55 9.210 -1.405 3.520 1.00 21.42 H new ATOM 0 HD3 LYS A 55 10.180 -2.796 3.076 1.00 21.42 H new ATOM 0 HE2 LYS A 55 8.943 -0.782 1.145 1.00 1.01 H new ATOM 0 HE3 LYS A 55 10.638 -0.892 1.574 1.00 1.01 H new ATOM 0 HZ1 LYS A 55 10.269 -1.944 -0.531 1.00 2.42 H new ATOM 0 HZ2 LYS A 55 10.674 -3.143 0.601 1.00 2.42 H new ATOM 0 HZ3 LYS A 55 9.060 -2.948 0.112 1.00 2.42 H new ATOM 899 N LYS A 56 5.395 -4.753 6.247 1.00 63.14 N ATOM 900 CA LYS A 56 5.065 -5.517 7.476 1.00 14.42 C ATOM 901 C LYS A 56 4.054 -6.651 7.175 1.00 61.52 C ATOM 902 O LYS A 56 3.973 -7.627 7.918 1.00 50.23 O ATOM 903 CB LYS A 56 4.521 -4.578 8.593 1.00 13.14 C ATOM 904 CG LYS A 56 5.536 -3.535 9.133 1.00 65.24 C ATOM 905 CD LYS A 56 6.834 -4.163 9.710 1.00 22.50 C ATOM 906 CE LYS A 56 6.582 -5.092 10.914 1.00 61.20 C ATOM 907 NZ LYS A 56 5.972 -4.378 12.069 1.00 53.42 N ATOM 0 H LYS A 56 5.005 -3.811 6.229 1.00 63.14 H new ATOM 0 HA LYS A 56 5.987 -5.973 7.837 1.00 14.42 H new ATOM 0 HB2 LYS A 56 3.650 -4.048 8.207 1.00 13.14 H new ATOM 0 HB3 LYS A 56 4.177 -5.192 9.426 1.00 13.14 H new ATOM 0 HG2 LYS A 56 5.802 -2.850 8.328 1.00 65.24 H new ATOM 0 HG3 LYS A 56 5.054 -2.942 9.910 1.00 65.24 H new ATOM 0 HD2 LYS A 56 7.336 -4.727 8.924 1.00 22.50 H new ATOM 0 HD3 LYS A 56 7.512 -3.365 10.012 1.00 22.50 H new ATOM 0 HE2 LYS A 56 5.927 -5.907 10.608 1.00 61.20 H new ATOM 0 HE3 LYS A 56 7.525 -5.541 11.226 1.00 61.20 H new ATOM 0 HZ1 LYS A 56 5.870 -5.035 12.869 1.00 53.42 H new ATOM 0 HZ2 LYS A 56 6.583 -3.584 12.349 1.00 53.42 H new ATOM 0 HZ3 LYS A 56 5.036 -4.015 11.798 1.00 53.42 H new ATOM 921 N VAL A 57 3.276 -6.495 6.091 1.00 33.11 N ATOM 922 CA VAL A 57 2.359 -7.539 5.581 1.00 64.54 C ATOM 923 C VAL A 57 3.107 -8.500 4.633 1.00 41.10 C ATOM 924 O VAL A 57 2.887 -9.723 4.649 1.00 11.45 O ATOM 925 CB VAL A 57 1.138 -6.894 4.827 1.00 3.35 C ATOM 926 CG1 VAL A 57 0.239 -7.963 4.169 1.00 40.42 C ATOM 927 CG2 VAL A 57 0.321 -5.979 5.772 1.00 10.44 C ATOM 0 H VAL A 57 3.262 -5.638 5.538 1.00 33.11 H new ATOM 0 HA VAL A 57 1.984 -8.101 6.436 1.00 64.54 H new ATOM 0 HB VAL A 57 1.542 -6.276 4.025 1.00 3.35 H new ATOM 0 HG11 VAL A 57 -0.592 -7.476 3.659 1.00 40.42 H new ATOM 0 HG12 VAL A 57 0.822 -8.535 3.447 1.00 40.42 H new ATOM 0 HG13 VAL A 57 -0.149 -8.634 4.935 1.00 40.42 H new ATOM 0 HG21 VAL A 57 -0.517 -5.546 5.225 1.00 10.44 H new ATOM 0 HG22 VAL A 57 -0.057 -6.565 6.610 1.00 10.44 H new ATOM 0 HG23 VAL A 57 0.960 -5.180 6.148 1.00 10.44 H new ATOM 937 N LYS A 58 4.041 -7.930 3.864 1.00 73.35 N ATOM 938 CA LYS A 58 4.707 -8.622 2.753 1.00 32.11 C ATOM 939 C LYS A 58 6.120 -8.019 2.546 1.00 15.10 C ATOM 940 O LYS A 58 6.266 -6.957 1.932 1.00 71.54 O ATOM 941 CB LYS A 58 3.821 -8.570 1.464 1.00 25.00 C ATOM 942 CG LYS A 58 3.310 -7.166 1.063 1.00 44.24 C ATOM 943 CD LYS A 58 2.369 -7.157 -0.165 1.00 71.45 C ATOM 944 CE LYS A 58 3.044 -7.567 -1.484 1.00 23.33 C ATOM 945 NZ LYS A 58 3.243 -9.038 -1.632 1.00 53.22 N ATOM 0 H LYS A 58 4.359 -6.970 3.995 1.00 73.35 H new ATOM 0 HA LYS A 58 4.835 -9.678 2.990 1.00 32.11 H new ATOM 0 HB2 LYS A 58 4.395 -8.980 0.633 1.00 25.00 H new ATOM 0 HB3 LYS A 58 2.960 -9.223 1.609 1.00 25.00 H new ATOM 0 HG2 LYS A 58 2.785 -6.727 1.912 1.00 44.24 H new ATOM 0 HG3 LYS A 58 4.167 -6.526 0.854 1.00 44.24 H new ATOM 0 HD2 LYS A 58 1.534 -7.831 0.027 1.00 71.45 H new ATOM 0 HD3 LYS A 58 1.951 -6.157 -0.280 1.00 71.45 H new ATOM 0 HE2 LYS A 58 2.440 -7.207 -2.317 1.00 23.33 H new ATOM 0 HE3 LYS A 58 4.012 -7.071 -1.554 1.00 23.33 H new ATOM 0 HZ1 LYS A 58 4.237 -9.232 -1.870 1.00 53.22 H new ATOM 0 HZ2 LYS A 58 3.003 -9.512 -0.738 1.00 53.22 H new ATOM 0 HZ3 LYS A 58 2.629 -9.397 -2.391 1.00 53.22 H new ATOM 959 N PRO A 59 7.203 -8.694 3.060 1.00 44.02 N ATOM 960 CA PRO A 59 8.603 -8.189 2.951 1.00 45.44 C ATOM 961 C PRO A 59 9.167 -8.305 1.511 1.00 3.04 C ATOM 962 O PRO A 59 10.249 -7.795 1.207 1.00 71.40 O ATOM 963 CB PRO A 59 9.365 -9.094 3.949 1.00 11.45 C ATOM 964 CG PRO A 59 8.613 -10.388 3.928 1.00 43.12 C ATOM 965 CD PRO A 59 7.155 -10.004 3.777 1.00 31.04 C ATOM 0 HA PRO A 59 8.691 -7.126 3.175 1.00 45.44 H new ATOM 0 HB2 PRO A 59 10.403 -9.233 3.647 1.00 11.45 H new ATOM 0 HB3 PRO A 59 9.380 -8.659 4.948 1.00 11.45 H new ATOM 0 HG2 PRO A 59 8.941 -11.019 3.102 1.00 43.12 H new ATOM 0 HG3 PRO A 59 8.777 -10.953 4.846 1.00 43.12 H new ATOM 0 HD2 PRO A 59 6.602 -10.751 3.208 1.00 31.04 H new ATOM 0 HD3 PRO A 59 6.663 -9.912 4.745 1.00 31.04 H new ATOM 973 N ASN A 60 8.389 -8.966 0.636 1.00 13.24 N ATOM 974 CA ASN A 60 8.737 -9.215 -0.774 1.00 13.05 C ATOM 975 C ASN A 60 8.099 -8.162 -1.704 1.00 43.11 C ATOM 976 O ASN A 60 8.207 -8.284 -2.931 1.00 33.34 O ATOM 977 CB ASN A 60 8.234 -10.629 -1.170 1.00 3.33 C ATOM 978 CG ASN A 60 8.830 -11.738 -0.298 1.00 4.52 C ATOM 979 OD1 ASN A 60 8.282 -12.080 0.753 1.00 63.04 O ATOM 980 ND2 ASN A 60 9.951 -12.300 -0.720 1.00 5.23 N ATOM 0 H ASN A 60 7.481 -9.351 0.895 1.00 13.24 H new ATOM 0 HA ASN A 60 9.819 -9.149 -0.884 1.00 13.05 H new ATOM 0 HB2 ASN A 60 7.147 -10.657 -1.093 1.00 3.33 H new ATOM 0 HB3 ASN A 60 8.485 -10.820 -2.214 1.00 3.33 H new ATOM 0 HD21 ASN A 60 10.388 -13.040 -0.171 1.00 5.23 H new ATOM 0 HD22 ASN A 60 10.378 -11.993 -1.594 1.00 5.23 H new ATOM 987 N ALA A 61 7.428 -7.148 -1.114 1.00 30.12 N ATOM 988 CA ALA A 61 6.677 -6.129 -1.865 1.00 61.24 C ATOM 989 C ALA A 61 7.574 -5.341 -2.841 1.00 71.02 C ATOM 990 O ALA A 61 8.455 -4.590 -2.410 1.00 32.32 O ATOM 991 CB ALA A 61 5.985 -5.157 -0.883 1.00 51.34 C ATOM 0 H ALA A 61 7.395 -7.017 -0.103 1.00 30.12 H new ATOM 0 HA ALA A 61 5.928 -6.650 -2.461 1.00 61.24 H new ATOM 0 HB1 ALA A 61 5.431 -4.405 -1.445 1.00 51.34 H new ATOM 0 HB2 ALA A 61 5.298 -5.713 -0.245 1.00 51.34 H new ATOM 0 HB3 ALA A 61 6.738 -4.667 -0.265 1.00 51.34 H new ATOM 997 N THR A 62 7.328 -5.524 -4.153 1.00 22.11 N ATOM 998 CA THR A 62 7.914 -4.686 -5.204 1.00 45.41 C ATOM 999 C THR A 62 7.071 -3.406 -5.321 1.00 23.43 C ATOM 1000 O THR A 62 5.935 -3.430 -5.809 1.00 22.32 O ATOM 1001 CB THR A 62 7.985 -5.452 -6.565 1.00 13.11 C ATOM 1002 OG1 THR A 62 8.829 -6.614 -6.419 1.00 21.31 O ATOM 1003 CG2 THR A 62 8.513 -4.575 -7.718 1.00 72.14 C ATOM 0 H THR A 62 6.716 -6.259 -4.509 1.00 22.11 H new ATOM 0 HA THR A 62 8.940 -4.426 -4.943 1.00 45.41 H new ATOM 0 HB THR A 62 6.967 -5.745 -6.823 1.00 13.11 H new ATOM 0 HG1 THR A 62 8.873 -7.096 -7.271 1.00 21.31 H new ATOM 0 HG21 THR A 62 8.540 -5.160 -8.637 1.00 72.14 H new ATOM 0 HG22 THR A 62 7.855 -3.717 -7.853 1.00 72.14 H new ATOM 0 HG23 THR A 62 9.518 -4.227 -7.480 1.00 72.14 H new ATOM 1011 N ILE A 63 7.619 -2.311 -4.784 1.00 41.22 N ATOM 1012 CA ILE A 63 6.944 -1.016 -4.674 1.00 3.21 C ATOM 1013 C ILE A 63 7.512 -0.067 -5.738 1.00 51.04 C ATOM 1014 O ILE A 63 8.728 0.153 -5.794 1.00 63.23 O ATOM 1015 CB ILE A 63 7.151 -0.448 -3.217 1.00 75.25 C ATOM 1016 CG1 ILE A 63 6.609 -1.500 -2.190 1.00 40.41 C ATOM 1017 CG2 ILE A 63 6.495 0.950 -3.034 1.00 71.51 C ATOM 1018 CD1 ILE A 63 6.843 -1.193 -0.733 1.00 24.14 C ATOM 0 H ILE A 63 8.566 -2.302 -4.405 1.00 41.22 H new ATOM 0 HA ILE A 63 5.873 -1.121 -4.847 1.00 3.21 H new ATOM 0 HB ILE A 63 8.215 -0.291 -3.039 1.00 75.25 H new ATOM 0 HG12 ILE A 63 5.536 -1.611 -2.348 1.00 40.41 H new ATOM 0 HG13 ILE A 63 7.066 -2.464 -2.414 1.00 40.41 H new ATOM 0 HG21 ILE A 63 6.664 1.301 -2.016 1.00 71.51 H new ATOM 0 HG22 ILE A 63 6.938 1.655 -3.738 1.00 71.51 H new ATOM 0 HG23 ILE A 63 5.423 0.876 -3.220 1.00 71.51 H new ATOM 0 HD11 ILE A 63 6.424 -1.992 -0.121 1.00 24.14 H new ATOM 0 HD12 ILE A 63 7.914 -1.115 -0.545 1.00 24.14 H new ATOM 0 HD13 ILE A 63 6.360 -0.250 -0.478 1.00 24.14 H new ATOM 1030 N ARG A 64 6.625 0.466 -6.589 1.00 74.13 N ATOM 1031 CA ARG A 64 7.004 1.348 -7.698 1.00 21.43 C ATOM 1032 C ARG A 64 6.693 2.797 -7.302 1.00 13.33 C ATOM 1033 O ARG A 64 5.527 3.177 -7.216 1.00 74.21 O ATOM 1034 CB ARG A 64 6.247 0.950 -8.997 1.00 42.33 C ATOM 1035 CG ARG A 64 6.435 -0.528 -9.434 1.00 61.40 C ATOM 1036 CD ARG A 64 7.906 -0.913 -9.688 1.00 24.41 C ATOM 1037 NE ARG A 64 8.040 -2.278 -10.235 1.00 64.42 N ATOM 1038 CZ ARG A 64 9.156 -2.785 -10.796 1.00 40.51 C ATOM 1039 NH1 ARG A 64 10.269 -2.059 -10.899 1.00 51.51 N ATOM 1040 NH2 ARG A 64 9.132 -4.026 -11.269 1.00 41.34 N ATOM 0 H ARG A 64 5.621 0.296 -6.526 1.00 74.13 H new ATOM 0 HA ARG A 64 8.071 1.250 -7.899 1.00 21.43 H new ATOM 0 HB2 ARG A 64 5.183 1.139 -8.853 1.00 42.33 H new ATOM 0 HB3 ARG A 64 6.579 1.599 -9.807 1.00 42.33 H new ATOM 0 HG2 ARG A 64 6.025 -1.181 -8.664 1.00 61.40 H new ATOM 0 HG3 ARG A 64 5.859 -0.706 -10.342 1.00 61.40 H new ATOM 0 HD2 ARG A 64 8.351 -0.200 -10.382 1.00 24.41 H new ATOM 0 HD3 ARG A 64 8.465 -0.841 -8.755 1.00 24.41 H new ATOM 0 HE ARG A 64 7.223 -2.886 -10.184 1.00 64.42 H new ATOM 0 HH11 ARG A 64 10.287 -1.101 -10.550 1.00 51.51 H new ATOM 0 HH12 ARG A 64 11.103 -2.462 -11.327 1.00 51.51 H new ATOM 0 HH21 ARG A 64 8.278 -4.580 -11.205 1.00 41.34 H new ATOM 0 HH22 ARG A 64 9.968 -4.425 -11.697 1.00 41.34 H new ATOM 1054 N LYS A 65 7.750 3.566 -7.017 1.00 32.32 N ATOM 1055 CA LYS A 65 7.654 4.978 -6.615 1.00 25.34 C ATOM 1056 C LYS A 65 7.529 5.889 -7.846 1.00 1.31 C ATOM 1057 O LYS A 65 8.096 5.595 -8.905 1.00 71.42 O ATOM 1058 CB LYS A 65 8.927 5.377 -5.818 1.00 3.31 C ATOM 1059 CG LYS A 65 9.055 4.741 -4.421 1.00 33.01 C ATOM 1060 CD LYS A 65 10.453 4.997 -3.793 1.00 31.55 C ATOM 1061 CE LYS A 65 10.544 4.576 -2.318 1.00 12.40 C ATOM 1062 NZ LYS A 65 9.694 5.430 -1.445 1.00 21.50 N ATOM 0 H LYS A 65 8.710 3.223 -7.059 1.00 32.32 H new ATOM 0 HA LYS A 65 6.766 5.100 -5.994 1.00 25.34 H new ATOM 0 HB2 LYS A 65 9.804 5.104 -6.405 1.00 3.31 H new ATOM 0 HB3 LYS A 65 8.942 6.461 -5.708 1.00 3.31 H new ATOM 0 HG2 LYS A 65 8.283 5.146 -3.766 1.00 33.01 H new ATOM 0 HG3 LYS A 65 8.881 3.667 -4.494 1.00 33.01 H new ATOM 0 HD2 LYS A 65 11.205 4.454 -4.365 1.00 31.55 H new ATOM 0 HD3 LYS A 65 10.692 6.057 -3.876 1.00 31.55 H new ATOM 0 HE2 LYS A 65 10.237 3.535 -2.218 1.00 12.40 H new ATOM 0 HE3 LYS A 65 11.581 4.636 -1.986 1.00 12.40 H new ATOM 0 HZ1 LYS A 65 10.292 5.918 -0.748 1.00 21.50 H new ATOM 0 HZ2 LYS A 65 9.195 6.133 -2.027 1.00 21.50 H new ATOM 0 HZ3 LYS A 65 8.999 4.836 -0.949 1.00 21.50 H new ATOM 1076 N THR A 66 6.781 6.991 -7.698 1.00 44.24 N ATOM 1077 CA THR A 66 6.821 8.123 -8.640 1.00 2.45 C ATOM 1078 C THR A 66 7.205 9.377 -7.840 1.00 32.50 C ATOM 1079 O THR A 66 6.538 9.711 -6.846 1.00 62.32 O ATOM 1080 CB THR A 66 5.452 8.338 -9.366 1.00 53.32 C ATOM 1081 OG1 THR A 66 4.435 8.636 -8.412 1.00 4.10 O ATOM 1082 CG2 THR A 66 5.031 7.110 -10.197 1.00 5.42 C ATOM 0 H THR A 66 6.131 7.125 -6.923 1.00 44.24 H new ATOM 0 HA THR A 66 7.553 7.915 -9.421 1.00 2.45 H new ATOM 0 HB THR A 66 5.581 9.175 -10.052 1.00 53.32 H new ATOM 0 HG1 THR A 66 4.839 9.056 -7.624 1.00 4.10 H new ATOM 0 HG21 THR A 66 4.075 7.309 -10.681 1.00 5.42 H new ATOM 0 HG22 THR A 66 5.787 6.908 -10.956 1.00 5.42 H new ATOM 0 HG23 THR A 66 4.933 6.244 -9.542 1.00 5.42 H new ATOM 1090 N GLY A 67 8.300 10.038 -8.246 1.00 64.41 N ATOM 1091 CA GLY A 67 8.807 11.214 -7.545 1.00 2.10 C ATOM 1092 C GLY A 67 8.194 12.513 -8.046 1.00 0.14 C ATOM 1093 O GLY A 67 7.499 12.531 -9.071 1.00 33.52 O ATOM 0 H GLY A 67 8.850 9.771 -9.062 1.00 64.41 H new ATOM 0 HA2 GLY A 67 8.605 11.110 -6.479 1.00 2.10 H new ATOM 0 HA3 GLY A 67 9.890 11.261 -7.661 1.00 2.10 H new ATOM 1097 N GLY A 68 8.480 13.603 -7.327 1.00 31.44 N ATOM 1098 CA GLY A 68 7.921 14.916 -7.630 1.00 14.31 C ATOM 1099 C GLY A 68 8.899 15.830 -8.336 1.00 12.03 C ATOM 1100 O GLY A 68 9.265 16.891 -7.808 1.00 74.11 O ATOM 0 H GLY A 68 9.105 13.596 -6.521 1.00 31.44 H new ATOM 0 HA2 GLY A 68 7.035 14.792 -8.252 1.00 14.31 H new ATOM 0 HA3 GLY A 68 7.596 15.388 -6.703 1.00 14.31 H new ATOM 1104 N SER A 69 9.326 15.420 -9.539 1.00 1.44 N ATOM 1105 CA SER A 69 10.127 16.272 -10.433 1.00 11.32 C ATOM 1106 C SER A 69 9.171 17.027 -11.383 1.00 63.22 C ATOM 1107 O SER A 69 9.174 16.830 -12.608 1.00 73.52 O ATOM 1108 CB SER A 69 11.171 15.416 -11.188 1.00 10.41 C ATOM 1109 OG SER A 69 12.017 14.730 -10.273 1.00 44.12 O ATOM 0 H SER A 69 9.128 14.494 -9.919 1.00 1.44 H new ATOM 0 HA SER A 69 10.688 17.012 -9.863 1.00 11.32 H new ATOM 0 HB2 SER A 69 10.663 14.697 -11.830 1.00 10.41 H new ATOM 0 HB3 SER A 69 11.771 16.054 -11.837 1.00 10.41 H new ATOM 0 HG SER A 69 12.669 14.193 -10.770 1.00 44.12 H new ATOM 1115 N LEU A 70 8.308 17.865 -10.771 1.00 13.52 N ATOM 1116 CA LEU A 70 7.285 18.659 -11.477 1.00 72.30 C ATOM 1117 C LEU A 70 7.862 20.035 -11.856 1.00 64.20 C ATOM 1118 O LEU A 70 9.080 20.249 -11.777 1.00 11.21 O ATOM 1119 CB LEU A 70 5.988 18.816 -10.599 1.00 62.42 C ATOM 1120 CG LEU A 70 6.015 19.846 -9.401 1.00 34.21 C ATOM 1121 CD1 LEU A 70 4.594 20.076 -8.838 1.00 34.31 C ATOM 1122 CD2 LEU A 70 6.983 19.424 -8.269 1.00 53.00 C ATOM 0 H LEU A 70 8.303 18.010 -9.761 1.00 13.52 H new ATOM 0 HA LEU A 70 7.003 18.133 -12.389 1.00 72.30 H new ATOM 0 HB2 LEU A 70 5.170 19.098 -11.262 1.00 62.42 H new ATOM 0 HB3 LEU A 70 5.743 17.836 -10.190 1.00 62.42 H new ATOM 0 HG LEU A 70 6.391 20.784 -9.809 1.00 34.21 H new ATOM 0 HD11 LEU A 70 4.640 20.789 -8.015 1.00 34.31 H new ATOM 0 HD12 LEU A 70 3.951 20.471 -9.624 1.00 34.31 H new ATOM 0 HD13 LEU A 70 4.188 19.131 -8.478 1.00 34.31 H new ATOM 0 HD21 LEU A 70 6.960 20.169 -7.474 1.00 53.00 H new ATOM 0 HD22 LEU A 70 6.676 18.457 -7.870 1.00 53.00 H new ATOM 0 HD23 LEU A 70 7.996 19.348 -8.665 1.00 53.00 H new ATOM 1134 N GLU A 71 6.988 20.962 -12.278 1.00 51.11 N ATOM 1135 CA GLU A 71 7.371 22.338 -12.605 1.00 72.33 C ATOM 1136 C GLU A 71 6.476 23.338 -11.845 1.00 21.43 C ATOM 1137 O GLU A 71 5.291 23.497 -12.174 1.00 13.01 O ATOM 1138 CB GLU A 71 7.286 22.539 -14.145 1.00 34.23 C ATOM 1139 CG GLU A 71 7.617 23.958 -14.652 1.00 43.31 C ATOM 1140 CD GLU A 71 8.995 24.471 -14.204 1.00 31.34 C ATOM 1141 OE1 GLU A 71 10.022 23.979 -14.722 1.00 32.44 O ATOM 1142 OE2 GLU A 71 9.054 25.365 -13.334 1.00 41.41 O ATOM 0 H GLU A 71 5.993 20.774 -12.401 1.00 51.11 H new ATOM 0 HA GLU A 71 8.398 22.523 -12.291 1.00 72.33 H new ATOM 0 HB2 GLU A 71 7.966 21.834 -14.623 1.00 34.23 H new ATOM 0 HB3 GLU A 71 6.278 22.282 -14.472 1.00 34.23 H new ATOM 0 HG2 GLU A 71 7.574 23.964 -15.741 1.00 43.31 H new ATOM 0 HG3 GLU A 71 6.850 24.648 -14.299 1.00 43.31 H new ATOM 1149 N HIS A 72 7.043 23.980 -10.794 1.00 51.51 N ATOM 1150 CA HIS A 72 6.452 25.194 -10.198 1.00 41.51 C ATOM 1151 C HIS A 72 6.632 26.318 -11.227 1.00 64.24 C ATOM 1152 O HIS A 72 7.664 27.005 -11.242 1.00 31.14 O ATOM 1153 CB HIS A 72 7.102 25.560 -8.832 1.00 14.20 C ATOM 1154 CG HIS A 72 6.788 24.607 -7.709 1.00 51.31 C ATOM 1155 ND1 HIS A 72 5.921 24.914 -6.682 1.00 4.21 N ATOM 1156 CD2 HIS A 72 7.256 23.367 -7.435 1.00 23.42 C ATOM 1157 CE1 HIS A 72 5.875 23.914 -5.833 1.00 22.55 C ATOM 1158 NE2 HIS A 72 6.674 22.963 -6.266 1.00 42.02 N ATOM 0 H HIS A 72 7.907 23.675 -10.346 1.00 51.51 H new ATOM 0 HA HIS A 72 5.397 25.030 -9.976 1.00 41.51 H new ATOM 0 HB2 HIS A 72 8.183 25.605 -8.960 1.00 14.20 H new ATOM 0 HB3 HIS A 72 6.773 26.559 -8.545 1.00 14.20 H new ATOM 0 HD2 HIS A 72 7.959 22.802 -8.029 1.00 23.42 H new ATOM 0 HE1 HIS A 72 5.282 23.878 -4.931 1.00 22.55 H new ATOM 0 HE2 HIS A 72 6.834 22.068 -5.804 1.00 42.02 H new ATOM 1167 N HIS A 73 5.642 26.407 -12.136 1.00 54.43 N ATOM 1168 CA HIS A 73 5.726 27.174 -13.382 1.00 14.20 C ATOM 1169 C HIS A 73 5.978 28.671 -13.121 1.00 32.53 C ATOM 1170 O HIS A 73 5.053 29.462 -12.883 1.00 54.13 O ATOM 1171 CB HIS A 73 4.453 26.939 -14.231 1.00 54.41 C ATOM 1172 CG HIS A 73 4.437 27.656 -15.554 1.00 50.23 C ATOM 1173 ND1 HIS A 73 5.243 27.297 -16.613 1.00 13.23 N ATOM 1174 CD2 HIS A 73 3.709 28.713 -15.981 1.00 10.13 C ATOM 1175 CE1 HIS A 73 5.014 28.104 -17.628 1.00 51.54 C ATOM 1176 NE2 HIS A 73 4.087 28.966 -17.272 1.00 55.12 N ATOM 0 H HIS A 73 4.745 25.936 -12.017 1.00 54.43 H new ATOM 0 HA HIS A 73 6.586 26.817 -13.948 1.00 14.20 H new ATOM 0 HB2 HIS A 73 4.346 25.869 -14.412 1.00 54.41 H new ATOM 0 HB3 HIS A 73 3.584 27.253 -13.653 1.00 54.41 H new ATOM 0 HD2 HIS A 73 2.969 29.255 -15.411 1.00 10.13 H new ATOM 0 HE1 HIS A 73 5.504 28.065 -18.590 1.00 51.54 H new ATOM 0 HE2 HIS A 73 3.709 29.706 -17.864 1.00 55.12 H new ATOM 1185 N HIS A 74 7.263 29.012 -13.133 1.00 14.21 N ATOM 1186 CA HIS A 74 7.750 30.376 -12.946 1.00 3.41 C ATOM 1187 C HIS A 74 7.689 31.123 -14.300 1.00 32.14 C ATOM 1188 O HIS A 74 8.519 30.901 -15.186 1.00 24.45 O ATOM 1189 CB HIS A 74 9.181 30.343 -12.321 1.00 54.31 C ATOM 1190 CG HIS A 74 10.190 29.498 -13.061 1.00 60.44 C ATOM 1191 ND1 HIS A 74 10.192 28.119 -13.027 1.00 3.12 N ATOM 1192 CD2 HIS A 74 11.223 29.844 -13.865 1.00 31.53 C ATOM 1193 CE1 HIS A 74 11.175 27.664 -13.779 1.00 1.43 C ATOM 1194 NE2 HIS A 74 11.813 28.688 -14.298 1.00 62.13 N ATOM 0 H HIS A 74 8.011 28.334 -13.276 1.00 14.21 H new ATOM 0 HA HIS A 74 7.119 30.924 -12.246 1.00 3.41 H new ATOM 0 HB2 HIS A 74 9.558 31.364 -12.265 1.00 54.31 H new ATOM 0 HB3 HIS A 74 9.104 29.975 -11.298 1.00 54.31 H new ATOM 0 HD2 HIS A 74 11.526 30.849 -14.118 1.00 31.53 H new ATOM 0 HE1 HIS A 74 11.415 26.624 -13.941 1.00 1.43 H new ATOM 0 HE2 HIS A 74 12.618 28.631 -14.922 1.00 62.13 H new ATOM 1203 N HIS A 75 6.648 31.960 -14.473 1.00 4.51 N ATOM 1204 CA HIS A 75 6.431 32.737 -15.705 1.00 42.31 C ATOM 1205 C HIS A 75 5.662 34.037 -15.388 1.00 55.53 C ATOM 1206 O HIS A 75 4.539 33.990 -14.862 1.00 45.12 O ATOM 1207 CB HIS A 75 5.651 31.889 -16.742 1.00 60.35 C ATOM 1208 CG HIS A 75 5.439 32.562 -18.077 1.00 53.11 C ATOM 1209 ND1 HIS A 75 4.276 33.219 -18.416 1.00 3.14 N ATOM 1210 CD2 HIS A 75 6.249 32.672 -19.161 1.00 20.31 C ATOM 1211 CE1 HIS A 75 4.385 33.706 -19.635 1.00 70.43 C ATOM 1212 NE2 HIS A 75 5.569 33.391 -20.109 1.00 24.42 N ATOM 0 H HIS A 75 5.934 32.115 -13.761 1.00 4.51 H new ATOM 0 HA HIS A 75 7.400 33.001 -16.128 1.00 42.31 H new ATOM 0 HB2 HIS A 75 6.187 30.954 -16.903 1.00 60.35 H new ATOM 0 HB3 HIS A 75 4.679 31.631 -16.322 1.00 60.35 H new ATOM 0 HD2 HIS A 75 7.246 32.267 -19.258 1.00 20.31 H new ATOM 0 HE1 HIS A 75 3.627 34.270 -20.158 1.00 70.43 H new ATOM 0 HE2 HIS A 75 5.924 33.641 -21.032 1.00 24.42 H new ATOM 1221 N HIS A 76 6.290 35.182 -15.704 1.00 63.31 N ATOM 1222 CA HIS A 76 5.670 36.523 -15.614 1.00 2.34 C ATOM 1223 C HIS A 76 5.201 36.985 -17.008 1.00 42.41 C ATOM 1224 O HIS A 76 5.499 36.341 -18.027 1.00 24.04 O ATOM 1225 CB HIS A 76 6.674 37.552 -15.015 1.00 33.52 C ATOM 1226 CG HIS A 76 6.983 37.360 -13.555 1.00 70.43 C ATOM 1227 ND1 HIS A 76 6.786 38.349 -12.613 1.00 34.12 N ATOM 1228 CD2 HIS A 76 7.516 36.314 -12.880 1.00 50.21 C ATOM 1229 CE1 HIS A 76 7.182 37.921 -11.435 1.00 51.21 C ATOM 1230 NE2 HIS A 76 7.632 36.691 -11.568 1.00 2.35 N ATOM 0 H HIS A 76 7.255 35.207 -16.034 1.00 63.31 H new ATOM 0 HA HIS A 76 4.805 36.461 -14.953 1.00 2.34 H new ATOM 0 HB2 HIS A 76 7.606 37.499 -15.579 1.00 33.52 H new ATOM 0 HB3 HIS A 76 6.272 38.555 -15.157 1.00 33.52 H new ATOM 0 HD2 HIS A 76 7.798 35.359 -13.299 1.00 50.21 H new ATOM 0 HE1 HIS A 76 7.145 38.483 -10.514 1.00 51.21 H new ATOM 0 HE2 HIS A 76 8.006 36.112 -10.816 1.00 2.35 H new ATOM 1239 N HIS A 77 4.463 38.111 -17.035 1.00 64.43 N ATOM 1240 CA HIS A 77 3.917 38.692 -18.271 1.00 13.30 C ATOM 1241 C HIS A 77 4.955 39.658 -18.911 1.00 13.34 C ATOM 1242 O HIS A 77 5.655 39.250 -19.865 1.00 1.11 O ATOM 1243 CB HIS A 77 2.566 39.403 -17.966 1.00 44.21 C ATOM 1244 CG HIS A 77 1.854 39.937 -19.184 1.00 35.53 C ATOM 1245 ND1 HIS A 77 1.420 41.241 -19.298 1.00 31.25 N ATOM 1246 CD2 HIS A 77 1.481 39.322 -20.337 1.00 52.34 C ATOM 1247 CE1 HIS A 77 0.817 41.403 -20.458 1.00 15.12 C ATOM 1248 NE2 HIS A 77 0.841 40.259 -21.107 1.00 63.33 N ATOM 1249 OXT HIS A 77 5.086 40.812 -18.436 1.00 38.07 O ATOM 0 H HIS A 77 4.229 38.643 -16.197 1.00 64.43 H new ATOM 0 HA HIS A 77 3.719 37.901 -18.995 1.00 13.30 H new ATOM 0 HB2 HIS A 77 1.908 38.701 -17.454 1.00 44.21 H new ATOM 0 HB3 HIS A 77 2.751 40.228 -17.277 1.00 44.21 H new ATOM 0 HD2 HIS A 77 1.656 38.289 -20.598 1.00 52.34 H new ATOM 0 HE1 HIS A 77 0.376 42.322 -20.816 1.00 15.12 H new ATOM 0 HE2 HIS A 77 0.447 40.095 -22.034 1.00 63.33 H new TER 1258 HIS A 77