USER MOD reduce.3.24.130724 H: found=0, std=0, add=467, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 462 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 32 TYR OH : rot 147:sc= -1.17! USER MOD Set 1.2: A 65 HIS : no HD1:sc= -11.2! C(o=-12!,f=-17!) USER MOD Set 2.1: A 9 THR OG1 : rot -108:sc= 1 USER MOD Set 2.2: A 11 ASN :FLIP amide:sc= 0.806 F(o=-0.63,f=1.8) USER MOD Set 3.1: A 6 SER OG : rot -130:sc= 0.905 USER MOD Set 3.2: A 51 LYS NZ :NH3+ -160:sc= 1.16 (180deg=0) USER MOD Single : A 1 MET CE :methyl 157:sc= -0.0922 (180deg=-0.795) USER MOD Single : A 1 MET N :NH3+ 174:sc= -0.66 (180deg=-0.677) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.0589 USER MOD Single : A 10 THR OG1 : rot 100:sc= -0.843! USER MOD Single : A 20 TYR OH : rot 108:sc= -0.181! USER MOD Single : A 25 GLN : amide:sc= -0.827 X(o=-0.83,f=-0.4) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl -169:sc= -2.6! (180deg=-3.01!) USER MOD Single : A 49 ASN : amide:sc= -4.33! C(o=-4.3!,f=-18!) USER MOD Single : A 54 GLN : amide:sc= -2.94! C(o=-2.9!,f=-2.5!) USER MOD Single : A 56 LYS NZ :NH3+ 161:sc= -0.079 (180deg=-0.485) USER MOD Single : A 62 ASN : amide:sc= 0.894 K(o=0.89,f=-0.039) USER MOD Single : A 64 SER OG : rot -28:sc= 0.0263 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.708 -1.089 -0.544 1.00 0.00 N ATOM 2 CA MET A 1 5.048 -1.553 -1.004 1.00 0.00 C ATOM 3 C MET A 1 4.986 -3.039 -1.334 1.00 0.00 C ATOM 4 O MET A 1 5.996 -3.741 -1.270 1.00 0.00 O ATOM 5 CB MET A 1 6.078 -1.309 0.103 1.00 0.00 C ATOM 6 CG MET A 1 6.325 0.192 0.253 1.00 0.00 C ATOM 7 SD MET A 1 7.409 0.488 1.672 1.00 0.00 S ATOM 8 CE MET A 1 8.923 -0.195 0.950 1.00 0.00 C ATOM 0 H1 MET A 1 3.774 -0.102 -0.223 1.00 0.00 H new ATOM 0 H2 MET A 1 3.030 -1.153 -1.330 1.00 0.00 H new ATOM 0 H3 MET A 1 3.384 -1.688 0.242 1.00 0.00 H new ATOM 0 HA MET A 1 5.341 -1.000 -1.897 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.720 -1.725 1.045 1.00 0.00 H new ATOM 0 HB3 MET A 1 7.011 -1.819 -0.136 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.780 0.589 -0.655 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.379 0.715 0.390 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.791 0.231 1.454 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.928 -1.278 1.072 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.963 0.050 -0.111 1.00 0.00 H new ATOM 16 N THR A 2 3.798 -3.519 -1.689 1.00 0.00 N ATOM 17 CA THR A 2 3.630 -4.927 -2.027 1.00 0.00 C ATOM 18 C THR A 2 3.256 -5.085 -3.498 1.00 0.00 C ATOM 19 O THR A 2 2.322 -4.449 -3.984 1.00 0.00 O ATOM 20 CB THR A 2 2.540 -5.551 -1.149 1.00 0.00 C ATOM 21 OG1 THR A 2 2.908 -5.430 0.218 1.00 0.00 O ATOM 22 CG2 THR A 2 2.380 -7.031 -1.506 1.00 0.00 C ATOM 0 H THR A 2 2.947 -2.961 -1.750 1.00 0.00 H new ATOM 0 HA THR A 2 4.576 -5.439 -1.848 1.00 0.00 H new ATOM 0 HB THR A 2 1.596 -5.034 -1.319 1.00 0.00 H new ATOM 0 HG1 THR A 2 2.211 -5.827 0.781 1.00 0.00 H new ATOM 0 HG21 THR A 2 1.605 -7.474 -0.881 1.00 0.00 H new ATOM 0 HG22 THR A 2 2.098 -7.124 -2.555 1.00 0.00 H new ATOM 0 HG23 THR A 2 3.323 -7.550 -1.337 1.00 0.00 H new ATOM 30 N THR A 3 3.996 -5.938 -4.199 1.00 0.00 N ATOM 31 CA THR A 3 3.743 -6.181 -5.617 1.00 0.00 C ATOM 32 C THR A 3 3.398 -7.642 -5.862 1.00 0.00 C ATOM 33 O THR A 3 4.121 -8.539 -5.432 1.00 0.00 O ATOM 34 CB THR A 3 4.978 -5.802 -6.439 1.00 0.00 C ATOM 35 OG1 THR A 3 5.254 -4.419 -6.270 1.00 0.00 O ATOM 36 CG2 THR A 3 4.730 -6.105 -7.917 1.00 0.00 C ATOM 0 H THR A 3 4.774 -6.472 -3.811 1.00 0.00 H new ATOM 0 HA THR A 3 2.897 -5.566 -5.924 1.00 0.00 H new ATOM 0 HB THR A 3 5.833 -6.385 -6.096 1.00 0.00 H new ATOM 0 HG1 THR A 3 6.045 -4.177 -6.795 1.00 0.00 H new ATOM 0 HG21 THR A 3 5.612 -5.833 -8.497 1.00 0.00 H new ATOM 0 HG22 THR A 3 4.527 -7.169 -8.041 1.00 0.00 H new ATOM 0 HG23 THR A 3 3.874 -5.529 -8.268 1.00 0.00 H new ATOM 44 N PHE A 4 2.288 -7.874 -6.552 1.00 0.00 N ATOM 45 CA PHE A 4 1.858 -9.231 -6.845 1.00 0.00 C ATOM 46 C PHE A 4 2.202 -9.596 -8.284 1.00 0.00 C ATOM 47 O PHE A 4 1.979 -8.811 -9.206 1.00 0.00 O ATOM 48 CB PHE A 4 0.347 -9.344 -6.636 1.00 0.00 C ATOM 49 CG PHE A 4 0.018 -9.121 -5.181 1.00 0.00 C ATOM 50 CD1 PHE A 4 -0.276 -7.833 -4.718 1.00 0.00 C ATOM 51 CD2 PHE A 4 0.007 -10.203 -4.290 1.00 0.00 C ATOM 52 CE1 PHE A 4 -0.580 -7.625 -3.369 1.00 0.00 C ATOM 53 CE2 PHE A 4 -0.297 -9.995 -2.940 1.00 0.00 C ATOM 54 CZ PHE A 4 -0.591 -8.706 -2.479 1.00 0.00 C ATOM 0 H PHE A 4 1.675 -7.145 -6.916 1.00 0.00 H new ATOM 0 HA PHE A 4 2.374 -9.918 -6.174 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -0.171 -8.610 -7.253 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -0.001 -10.328 -6.951 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -0.268 -6.999 -5.404 1.00 0.00 H new ATOM 0 HD2 PHE A 4 0.233 -11.197 -4.645 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -0.806 -6.631 -3.014 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -0.305 -10.829 -2.254 1.00 0.00 H new ATOM 0 HZ PHE A 4 -0.826 -8.546 -1.437 1.00 0.00 H new ATOM 64 N THR A 5 2.759 -10.788 -8.468 1.00 0.00 N ATOM 65 CA THR A 5 3.144 -11.238 -9.801 1.00 0.00 C ATOM 66 C THR A 5 2.783 -12.700 -10.007 1.00 0.00 C ATOM 67 O THR A 5 2.572 -13.444 -9.047 1.00 0.00 O ATOM 68 CB THR A 5 4.651 -11.063 -9.995 1.00 0.00 C ATOM 69 OG1 THR A 5 4.990 -11.351 -11.344 1.00 0.00 O ATOM 70 CG2 THR A 5 5.403 -12.016 -9.064 1.00 0.00 C ATOM 0 H THR A 5 2.953 -11.454 -7.720 1.00 0.00 H new ATOM 0 HA THR A 5 2.603 -10.635 -10.530 1.00 0.00 H new ATOM 0 HB THR A 5 4.930 -10.036 -9.761 1.00 0.00 H new ATOM 0 HG1 THR A 5 5.955 -11.238 -11.470 1.00 0.00 H new ATOM 0 HG21 THR A 5 6.477 -11.890 -9.204 1.00 0.00 H new ATOM 0 HG22 THR A 5 5.143 -11.794 -8.029 1.00 0.00 H new ATOM 0 HG23 THR A 5 5.126 -13.045 -9.295 1.00 0.00 H new ATOM 78 N SER A 6 2.711 -13.104 -11.269 1.00 0.00 N ATOM 79 CA SER A 6 2.373 -14.479 -11.596 1.00 0.00 C ATOM 80 C SER A 6 3.023 -14.909 -12.905 1.00 0.00 C ATOM 81 O SER A 6 3.388 -14.077 -13.736 1.00 0.00 O ATOM 82 CB SER A 6 0.856 -14.628 -11.706 1.00 0.00 C ATOM 83 OG SER A 6 0.389 -13.845 -12.798 1.00 0.00 O ATOM 0 H SER A 6 2.881 -12.503 -12.075 1.00 0.00 H new ATOM 0 HA SER A 6 2.750 -15.119 -10.798 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.591 -15.675 -11.854 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.378 -14.306 -10.781 1.00 0.00 H new ATOM 0 HG SER A 6 -0.362 -13.288 -12.504 1.00 0.00 H new ATOM 89 N ILE A 7 3.149 -16.218 -13.078 1.00 0.00 N ATOM 90 CA ILE A 7 3.739 -16.780 -14.284 1.00 0.00 C ATOM 91 C ILE A 7 2.945 -18.012 -14.707 1.00 0.00 C ATOM 92 O ILE A 7 2.199 -18.572 -13.904 1.00 0.00 O ATOM 93 CB ILE A 7 5.194 -17.164 -14.019 1.00 0.00 C ATOM 94 CG1 ILE A 7 5.247 -18.221 -12.913 1.00 0.00 C ATOM 95 CG2 ILE A 7 5.978 -15.926 -13.580 1.00 0.00 C ATOM 96 CD1 ILE A 7 6.671 -18.766 -12.796 1.00 0.00 C ATOM 0 H ILE A 7 2.849 -16.913 -12.394 1.00 0.00 H new ATOM 0 HA ILE A 7 3.710 -16.039 -15.083 1.00 0.00 H new ATOM 0 HB ILE A 7 5.636 -17.567 -14.930 1.00 0.00 H new ATOM 0 HG12 ILE A 7 4.934 -17.786 -11.964 1.00 0.00 H new ATOM 0 HG13 ILE A 7 4.553 -19.032 -13.136 1.00 0.00 H new ATOM 0 HG21 ILE A 7 7.016 -16.201 -13.391 1.00 0.00 H new ATOM 0 HG22 ILE A 7 5.939 -15.173 -14.367 1.00 0.00 H new ATOM 0 HG23 ILE A 7 5.538 -15.521 -12.669 1.00 0.00 H new ATOM 0 HD11 ILE A 7 6.709 -19.519 -12.008 1.00 0.00 H new ATOM 0 HD12 ILE A 7 6.967 -19.217 -13.743 1.00 0.00 H new ATOM 0 HD13 ILE A 7 7.353 -17.952 -12.553 1.00 0.00 H new ATOM 108 N VAL A 8 3.093 -18.435 -15.958 1.00 0.00 N ATOM 109 CA VAL A 8 2.354 -19.604 -16.420 1.00 0.00 C ATOM 110 C VAL A 8 3.249 -20.837 -16.495 1.00 0.00 C ATOM 111 O VAL A 8 4.025 -21.008 -17.437 1.00 0.00 O ATOM 112 CB VAL A 8 1.749 -19.327 -17.796 1.00 0.00 C ATOM 113 CG1 VAL A 8 2.860 -18.941 -18.770 1.00 0.00 C ATOM 114 CG2 VAL A 8 1.040 -20.584 -18.302 1.00 0.00 C ATOM 0 H VAL A 8 3.700 -18.000 -16.653 1.00 0.00 H new ATOM 0 HA VAL A 8 1.560 -19.803 -15.700 1.00 0.00 H new ATOM 0 HB VAL A 8 1.031 -18.510 -17.722 1.00 0.00 H new ATOM 0 HG11 VAL A 8 2.430 -18.743 -19.752 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.366 -18.046 -18.408 1.00 0.00 H new ATOM 0 HG13 VAL A 8 3.577 -19.758 -18.846 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.608 -20.388 -19.283 1.00 0.00 H new ATOM 0 HG22 VAL A 8 1.758 -21.401 -18.378 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.248 -20.860 -17.606 1.00 0.00 H new ATOM 124 N THR A 9 3.094 -21.705 -15.505 1.00 0.00 N ATOM 125 CA THR A 9 3.838 -22.959 -15.440 1.00 0.00 C ATOM 126 C THR A 9 3.021 -23.950 -14.631 1.00 0.00 C ATOM 127 O THR A 9 2.189 -23.537 -13.824 1.00 0.00 O ATOM 128 CB THR A 9 5.190 -22.756 -14.752 1.00 0.00 C ATOM 129 OG1 THR A 9 6.067 -23.811 -15.122 1.00 0.00 O ATOM 130 CG2 THR A 9 4.989 -22.783 -13.234 1.00 0.00 C ATOM 0 H THR A 9 2.452 -21.562 -14.726 1.00 0.00 H new ATOM 0 HA THR A 9 4.016 -23.324 -16.451 1.00 0.00 H new ATOM 0 HB THR A 9 5.616 -21.799 -15.054 1.00 0.00 H new ATOM 0 HG1 THR A 9 6.193 -24.414 -14.360 1.00 0.00 H new ATOM 0 HG21 THR A 9 5.949 -22.639 -12.737 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.306 -21.985 -12.943 1.00 0.00 H new ATOM 0 HG23 THR A 9 4.569 -23.745 -12.940 1.00 0.00 H new ATOM 138 N THR A 10 3.252 -25.245 -14.795 1.00 0.00 N ATOM 139 CA THR A 10 2.489 -26.183 -13.990 1.00 0.00 C ATOM 140 C THR A 10 3.404 -27.138 -13.232 1.00 0.00 C ATOM 141 O THR A 10 3.776 -28.195 -13.740 1.00 0.00 O ATOM 142 CB THR A 10 1.566 -27.001 -14.897 1.00 0.00 C ATOM 143 OG1 THR A 10 1.317 -28.265 -14.298 1.00 0.00 O ATOM 144 CG2 THR A 10 2.232 -27.207 -16.258 1.00 0.00 C ATOM 0 H THR A 10 3.925 -25.654 -15.443 1.00 0.00 H new ATOM 0 HA THR A 10 1.908 -25.610 -13.268 1.00 0.00 H new ATOM 0 HB THR A 10 0.625 -26.467 -15.032 1.00 0.00 H new ATOM 0 HG1 THR A 10 0.441 -28.252 -13.859 1.00 0.00 H new ATOM 0 HG21 THR A 10 1.573 -27.790 -16.901 1.00 0.00 H new ATOM 0 HG22 THR A 10 2.425 -26.238 -16.719 1.00 0.00 H new ATOM 0 HG23 THR A 10 3.173 -27.740 -16.125 1.00 0.00 H new ATOM 152 N ASN A 11 3.767 -26.752 -12.012 1.00 0.00 N ATOM 153 CA ASN A 11 4.642 -27.575 -11.190 1.00 0.00 C ATOM 154 C ASN A 11 4.099 -27.704 -9.777 1.00 0.00 C ATOM 155 O ASN A 11 4.730 -27.268 -8.814 1.00 0.00 O ATOM 156 CB ASN A 11 6.043 -26.962 -11.148 1.00 0.00 C ATOM 157 CG ASN A 11 6.617 -26.876 -12.557 1.00 0.00 C ATOM 158 OD1 ASN A 11 6.688 -25.717 -13.152 1.00 0.00 O flip ATOM 159 ND2 ASN A 11 7.010 -27.891 -13.131 1.00 0.00 N flip ATOM 0 H ASN A 11 3.470 -25.880 -11.575 1.00 0.00 H new ATOM 0 HA ASN A 11 4.690 -28.570 -11.633 1.00 0.00 H new ATOM 0 HB2 ASN A 11 6.001 -25.968 -10.702 1.00 0.00 H new ATOM 0 HB3 ASN A 11 6.695 -27.567 -10.517 1.00 0.00 H new ATOM 0 HD21 ASN A 11 6.953 -28.796 -12.663 1.00 0.00 H new ATOM 0 HD22 ASN A 11 7.393 -27.828 -14.074 1.00 0.00 H new ATOM 166 N PRO A 12 2.958 -28.311 -9.638 1.00 0.00 N ATOM 167 CA PRO A 12 2.325 -28.530 -8.311 1.00 0.00 C ATOM 168 C PRO A 12 3.202 -29.399 -7.415 1.00 0.00 C ATOM 169 O PRO A 12 3.434 -30.574 -7.703 1.00 0.00 O ATOM 170 CB PRO A 12 1.006 -29.243 -8.644 1.00 0.00 C ATOM 171 CG PRO A 12 1.190 -29.798 -10.020 1.00 0.00 C ATOM 172 CD PRO A 12 2.144 -28.845 -10.734 1.00 0.00 C ATOM 0 HA PRO A 12 2.176 -27.600 -7.763 1.00 0.00 H new ATOM 0 HB2 PRO A 12 0.796 -30.036 -7.926 1.00 0.00 H new ATOM 0 HB3 PRO A 12 0.165 -28.550 -8.609 1.00 0.00 H new ATOM 0 HG2 PRO A 12 1.602 -30.806 -9.982 1.00 0.00 H new ATOM 0 HG3 PRO A 12 0.237 -29.862 -10.545 1.00 0.00 H new ATOM 0 HD2 PRO A 12 2.754 -29.363 -11.474 1.00 0.00 H new ATOM 0 HD3 PRO A 12 1.607 -28.055 -11.260 1.00 0.00 H new ATOM 180 N ASP A 13 3.687 -28.810 -6.330 1.00 0.00 N ATOM 181 CA ASP A 13 4.541 -29.533 -5.392 1.00 0.00 C ATOM 182 C ASP A 13 3.987 -29.441 -3.973 1.00 0.00 C ATOM 183 O ASP A 13 3.564 -28.372 -3.532 1.00 0.00 O ATOM 184 CB ASP A 13 5.957 -28.957 -5.428 1.00 0.00 C ATOM 185 CG ASP A 13 6.638 -29.328 -6.740 1.00 0.00 C ATOM 186 OD1 ASP A 13 6.123 -30.191 -7.430 1.00 0.00 O ATOM 187 OD2 ASP A 13 7.666 -28.741 -7.037 1.00 0.00 O ATOM 0 H ASP A 13 3.506 -27.839 -6.077 1.00 0.00 H new ATOM 0 HA ASP A 13 4.566 -30.582 -5.689 1.00 0.00 H new ATOM 0 HB2 ASP A 13 5.920 -27.873 -5.322 1.00 0.00 H new ATOM 0 HB3 ASP A 13 6.536 -29.340 -4.587 1.00 0.00 H new ATOM 192 N PHE A 14 3.994 -30.564 -3.263 1.00 0.00 N ATOM 193 CA PHE A 14 3.490 -30.594 -1.895 1.00 0.00 C ATOM 194 C PHE A 14 4.644 -30.548 -0.897 1.00 0.00 C ATOM 195 O PHE A 14 4.446 -30.735 0.304 1.00 0.00 O ATOM 196 CB PHE A 14 2.671 -31.867 -1.666 1.00 0.00 C ATOM 197 CG PHE A 14 1.467 -31.865 -2.576 1.00 0.00 C ATOM 198 CD1 PHE A 14 0.285 -31.230 -2.174 1.00 0.00 C ATOM 199 CD2 PHE A 14 1.530 -32.501 -3.821 1.00 0.00 C ATOM 200 CE1 PHE A 14 -0.832 -31.231 -3.016 1.00 0.00 C ATOM 201 CE2 PHE A 14 0.413 -32.501 -4.664 1.00 0.00 C ATOM 202 CZ PHE A 14 -0.768 -31.866 -4.262 1.00 0.00 C ATOM 0 H PHE A 14 4.340 -31.459 -3.609 1.00 0.00 H new ATOM 0 HA PHE A 14 2.856 -29.720 -1.744 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.285 -32.746 -1.860 1.00 0.00 H new ATOM 0 HB3 PHE A 14 2.353 -31.924 -0.625 1.00 0.00 H new ATOM 0 HD1 PHE A 14 0.236 -30.739 -1.213 1.00 0.00 H new ATOM 0 HD2 PHE A 14 2.441 -32.992 -4.131 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -1.743 -30.742 -2.705 1.00 0.00 H new ATOM 0 HE2 PHE A 14 0.462 -32.991 -5.625 1.00 0.00 H new ATOM 0 HZ PHE A 14 -1.630 -31.866 -4.913 1.00 0.00 H new ATOM 212 N GLY A 15 5.850 -30.296 -1.400 1.00 0.00 N ATOM 213 CA GLY A 15 7.028 -30.225 -0.542 1.00 0.00 C ATOM 214 C GLY A 15 7.284 -28.790 -0.089 1.00 0.00 C ATOM 215 O GLY A 15 8.289 -28.505 0.564 1.00 0.00 O ATOM 0 H GLY A 15 6.036 -30.139 -2.390 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.889 -30.866 0.328 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.898 -30.602 -1.080 1.00 0.00 H new ATOM 219 N GLY A 16 6.373 -27.893 -0.444 1.00 0.00 N ATOM 220 CA GLY A 16 6.511 -26.489 -0.075 1.00 0.00 C ATOM 221 C GLY A 16 5.165 -25.778 -0.135 1.00 0.00 C ATOM 222 O GLY A 16 4.137 -26.400 -0.402 1.00 0.00 O ATOM 0 H GLY A 16 5.535 -28.110 -0.984 1.00 0.00 H new ATOM 0 HA2 GLY A 16 6.923 -26.412 0.931 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.216 -26.000 -0.747 1.00 0.00 H new ATOM 226 N PHE A 17 5.176 -24.473 0.114 1.00 0.00 N ATOM 227 CA PHE A 17 3.947 -23.695 0.083 1.00 0.00 C ATOM 228 C PHE A 17 3.860 -22.901 -1.213 1.00 0.00 C ATOM 229 O PHE A 17 4.697 -22.041 -1.487 1.00 0.00 O ATOM 230 CB PHE A 17 3.904 -22.737 1.275 1.00 0.00 C ATOM 231 CG PHE A 17 5.088 -21.803 1.213 1.00 0.00 C ATOM 232 CD1 PHE A 17 4.980 -20.578 0.543 1.00 0.00 C ATOM 233 CD2 PHE A 17 6.297 -22.162 1.823 1.00 0.00 C ATOM 234 CE1 PHE A 17 6.078 -19.712 0.483 1.00 0.00 C ATOM 235 CE2 PHE A 17 7.395 -21.296 1.763 1.00 0.00 C ATOM 236 CZ PHE A 17 7.286 -20.071 1.093 1.00 0.00 C ATOM 0 H PHE A 17 6.015 -23.937 0.337 1.00 0.00 H new ATOM 0 HA PHE A 17 3.100 -24.379 0.140 1.00 0.00 H new ATOM 0 HB2 PHE A 17 2.976 -22.166 1.263 1.00 0.00 H new ATOM 0 HB3 PHE A 17 3.920 -23.300 2.208 1.00 0.00 H new ATOM 0 HD1 PHE A 17 4.048 -20.301 0.072 1.00 0.00 H new ATOM 0 HD2 PHE A 17 6.382 -23.107 2.339 1.00 0.00 H new ATOM 0 HE1 PHE A 17 5.993 -18.767 -0.034 1.00 0.00 H new ATOM 0 HE2 PHE A 17 8.327 -21.573 2.234 1.00 0.00 H new ATOM 0 HZ PHE A 17 8.134 -19.403 1.047 1.00 0.00 H new ATOM 246 N GLU A 18 2.830 -23.185 -1.998 1.00 0.00 N ATOM 247 CA GLU A 18 2.620 -22.484 -3.256 1.00 0.00 C ATOM 248 C GLU A 18 1.147 -22.539 -3.642 1.00 0.00 C ATOM 249 O GLU A 18 0.482 -23.551 -3.417 1.00 0.00 O ATOM 250 CB GLU A 18 3.477 -23.113 -4.354 1.00 0.00 C ATOM 251 CG GLU A 18 4.951 -23.027 -3.954 1.00 0.00 C ATOM 252 CD GLU A 18 5.830 -23.616 -5.051 1.00 0.00 C ATOM 253 OE1 GLU A 18 6.500 -24.600 -4.783 1.00 0.00 O ATOM 254 OE2 GLU A 18 5.826 -23.070 -6.142 1.00 0.00 O ATOM 0 H GLU A 18 2.128 -23.894 -1.786 1.00 0.00 H new ATOM 0 HA GLU A 18 2.914 -21.441 -3.136 1.00 0.00 H new ATOM 0 HB2 GLU A 18 3.189 -24.153 -4.505 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.314 -22.596 -5.300 1.00 0.00 H new ATOM 0 HG2 GLU A 18 5.227 -21.988 -3.776 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.114 -23.565 -3.020 1.00 0.00 H new ATOM 261 N PHE A 19 0.628 -21.457 -4.211 1.00 0.00 N ATOM 262 CA PHE A 19 -0.776 -21.426 -4.603 1.00 0.00 C ATOM 263 C PHE A 19 -0.911 -21.395 -6.121 1.00 0.00 C ATOM 264 O PHE A 19 -0.318 -20.548 -6.790 1.00 0.00 O ATOM 265 CB PHE A 19 -1.461 -20.195 -4.011 1.00 0.00 C ATOM 266 CG PHE A 19 -2.948 -20.289 -4.259 1.00 0.00 C ATOM 267 CD1 PHE A 19 -3.507 -19.724 -5.412 1.00 0.00 C ATOM 268 CD2 PHE A 19 -3.768 -20.944 -3.333 1.00 0.00 C ATOM 269 CE1 PHE A 19 -4.886 -19.816 -5.638 1.00 0.00 C ATOM 270 CE2 PHE A 19 -5.147 -21.035 -3.559 1.00 0.00 C ATOM 271 CZ PHE A 19 -5.705 -20.471 -4.711 1.00 0.00 C ATOM 0 H PHE A 19 1.148 -20.602 -4.409 1.00 0.00 H new ATOM 0 HA PHE A 19 -1.254 -22.329 -4.222 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -1.262 -20.132 -2.941 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -1.061 -19.288 -4.464 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -2.875 -19.218 -6.127 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.337 -21.379 -2.444 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -5.318 -19.382 -6.528 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -5.779 -21.540 -2.844 1.00 0.00 H new ATOM 0 HZ PHE A 19 -6.769 -20.541 -4.885 1.00 0.00 H new ATOM 281 N TYR A 20 -1.703 -22.316 -6.658 1.00 0.00 N ATOM 282 CA TYR A 20 -1.921 -22.376 -8.099 1.00 0.00 C ATOM 283 C TYR A 20 -3.411 -22.416 -8.414 1.00 0.00 C ATOM 284 O TYR A 20 -4.175 -23.106 -7.739 1.00 0.00 O ATOM 285 CB TYR A 20 -1.260 -23.626 -8.683 1.00 0.00 C ATOM 286 CG TYR A 20 0.227 -23.592 -8.427 1.00 0.00 C ATOM 287 CD1 TYR A 20 1.056 -22.792 -9.223 1.00 0.00 C ATOM 288 CD2 TYR A 20 0.775 -24.367 -7.401 1.00 0.00 C ATOM 289 CE1 TYR A 20 2.436 -22.770 -8.992 1.00 0.00 C ATOM 290 CE2 TYR A 20 2.156 -24.345 -7.168 1.00 0.00 C ATOM 291 CZ TYR A 20 2.986 -23.545 -7.964 1.00 0.00 C ATOM 292 OH TYR A 20 4.345 -23.524 -7.738 1.00 0.00 O ATOM 0 H TYR A 20 -2.202 -23.027 -6.122 1.00 0.00 H new ATOM 0 HA TYR A 20 -1.480 -21.484 -8.543 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -1.694 -24.520 -8.235 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -1.452 -23.682 -9.755 1.00 0.00 H new ATOM 0 HD1 TYR A 20 0.631 -22.193 -10.014 1.00 0.00 H new ATOM 0 HD2 TYR A 20 0.134 -24.983 -6.788 1.00 0.00 H new ATOM 0 HE1 TYR A 20 3.077 -22.155 -9.607 1.00 0.00 H new ATOM 0 HE2 TYR A 20 2.580 -24.944 -6.376 1.00 0.00 H new ATOM 0 HH TYR A 20 4.532 -23.031 -6.912 1.00 0.00 H new ATOM 302 N VAL A 21 -3.817 -21.690 -9.449 1.00 0.00 N ATOM 303 CA VAL A 21 -5.220 -21.677 -9.842 1.00 0.00 C ATOM 304 C VAL A 21 -5.512 -22.824 -10.795 1.00 0.00 C ATOM 305 O VAL A 21 -4.909 -22.924 -11.863 1.00 0.00 O ATOM 306 CB VAL A 21 -5.578 -20.356 -10.527 1.00 0.00 C ATOM 307 CG1 VAL A 21 -6.992 -20.453 -11.102 1.00 0.00 C ATOM 308 CG2 VAL A 21 -5.538 -19.218 -9.506 1.00 0.00 C ATOM 0 H VAL A 21 -3.205 -21.111 -10.024 1.00 0.00 H new ATOM 0 HA VAL A 21 -5.822 -21.788 -8.940 1.00 0.00 H new ATOM 0 HB VAL A 21 -4.861 -20.159 -11.324 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -7.251 -19.514 -11.591 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.034 -21.264 -11.829 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.700 -20.650 -10.297 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.793 -18.279 -9.997 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.255 -19.418 -8.710 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.537 -19.145 -9.082 1.00 0.00 H new ATOM 318 N GLU A 22 -6.446 -23.682 -10.410 1.00 0.00 N ATOM 319 CA GLU A 22 -6.813 -24.808 -11.253 1.00 0.00 C ATOM 320 C GLU A 22 -7.551 -24.296 -12.482 1.00 0.00 C ATOM 321 O GLU A 22 -8.379 -23.391 -12.382 1.00 0.00 O ATOM 322 CB GLU A 22 -7.711 -25.770 -10.473 1.00 0.00 C ATOM 323 CG GLU A 22 -6.922 -26.394 -9.319 1.00 0.00 C ATOM 324 CD GLU A 22 -5.722 -27.165 -9.858 1.00 0.00 C ATOM 325 OE1 GLU A 22 -5.914 -27.963 -10.759 1.00 0.00 O ATOM 326 OE2 GLU A 22 -4.629 -26.945 -9.361 1.00 0.00 O ATOM 0 H GLU A 22 -6.958 -23.621 -9.530 1.00 0.00 H new ATOM 0 HA GLU A 22 -5.912 -25.338 -11.563 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -8.580 -25.238 -10.086 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -8.084 -26.551 -11.135 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -6.585 -25.614 -8.635 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -7.566 -27.062 -8.748 1.00 0.00 H new ATOM 333 N ALA A 23 -7.244 -24.862 -13.641 1.00 0.00 N ATOM 334 CA ALA A 23 -7.892 -24.423 -14.869 1.00 0.00 C ATOM 335 C ALA A 23 -9.405 -24.486 -14.713 1.00 0.00 C ATOM 336 O ALA A 23 -9.948 -25.480 -14.229 1.00 0.00 O ATOM 337 CB ALA A 23 -7.457 -25.310 -16.037 1.00 0.00 C ATOM 0 H ALA A 23 -6.563 -25.613 -13.757 1.00 0.00 H new ATOM 0 HA ALA A 23 -7.597 -23.394 -15.072 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -7.947 -24.974 -16.951 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -6.376 -25.246 -16.160 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -7.738 -26.343 -15.834 1.00 0.00 H new ATOM 343 N GLY A 24 -10.081 -23.420 -15.127 1.00 0.00 N ATOM 344 CA GLY A 24 -11.532 -23.371 -15.026 1.00 0.00 C ATOM 345 C GLY A 24 -11.980 -23.082 -13.595 1.00 0.00 C ATOM 346 O GLY A 24 -13.149 -23.276 -13.256 1.00 0.00 O ATOM 0 H GLY A 24 -9.652 -22.588 -15.531 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.919 -22.601 -15.693 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -11.954 -24.320 -15.357 1.00 0.00 H new ATOM 350 N GLN A 25 -11.056 -22.620 -12.754 1.00 0.00 N ATOM 351 CA GLN A 25 -11.395 -22.318 -11.367 1.00 0.00 C ATOM 352 C GLN A 25 -11.116 -20.854 -11.048 1.00 0.00 C ATOM 353 O GLN A 25 -10.234 -20.234 -11.640 1.00 0.00 O ATOM 354 CB GLN A 25 -10.601 -23.218 -10.421 1.00 0.00 C ATOM 355 CG GLN A 25 -10.941 -24.683 -10.709 1.00 0.00 C ATOM 356 CD GLN A 25 -12.438 -24.913 -10.539 1.00 0.00 C ATOM 357 OE1 GLN A 25 -12.991 -24.643 -9.472 1.00 0.00 O ATOM 358 NE2 GLN A 25 -13.132 -25.398 -11.532 1.00 0.00 N ATOM 0 H GLN A 25 -10.082 -22.449 -13.004 1.00 0.00 H new ATOM 0 HA GLN A 25 -12.460 -22.506 -11.228 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -9.532 -23.049 -10.552 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -10.838 -22.975 -9.385 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -10.638 -24.943 -11.723 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -10.386 -25.334 -10.033 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -12.672 -25.621 -12.415 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -14.134 -25.554 -11.425 1.00 0.00 H new ATOM 367 N GLN A 26 -11.884 -20.310 -10.109 1.00 0.00 N ATOM 368 CA GLN A 26 -11.722 -18.916 -9.714 1.00 0.00 C ATOM 369 C GLN A 26 -10.742 -18.792 -8.553 1.00 0.00 C ATOM 370 O GLN A 26 -10.910 -19.424 -7.510 1.00 0.00 O ATOM 371 CB GLN A 26 -13.074 -18.330 -9.307 1.00 0.00 C ATOM 372 CG GLN A 26 -12.900 -16.857 -8.931 1.00 0.00 C ATOM 373 CD GLN A 26 -14.256 -16.236 -8.612 1.00 0.00 C ATOM 374 OE1 GLN A 26 -15.162 -16.927 -8.149 1.00 0.00 O ATOM 375 NE2 GLN A 26 -14.449 -14.964 -8.837 1.00 0.00 N ATOM 0 H GLN A 26 -12.620 -20.810 -9.610 1.00 0.00 H new ATOM 0 HA GLN A 26 -11.325 -18.363 -10.565 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -13.785 -18.425 -10.127 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -13.484 -18.886 -8.464 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -12.239 -16.769 -8.069 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -12.428 -16.317 -9.752 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -13.695 -14.394 -9.221 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -15.353 -14.541 -8.629 1.00 0.00 H new ATOM 384 N PHE A 27 -9.717 -17.970 -8.743 1.00 0.00 N ATOM 385 CA PHE A 27 -8.710 -17.765 -7.709 1.00 0.00 C ATOM 386 C PHE A 27 -9.365 -17.310 -6.410 1.00 0.00 C ATOM 387 O PHE A 27 -10.084 -16.311 -6.383 1.00 0.00 O ATOM 388 CB PHE A 27 -7.705 -16.706 -8.168 1.00 0.00 C ATOM 389 CG PHE A 27 -6.737 -16.399 -7.051 1.00 0.00 C ATOM 390 CD1 PHE A 27 -6.938 -15.271 -6.246 1.00 0.00 C ATOM 391 CD2 PHE A 27 -5.636 -17.232 -6.825 1.00 0.00 C ATOM 392 CE1 PHE A 27 -6.039 -14.978 -5.213 1.00 0.00 C ATOM 393 CE2 PHE A 27 -4.738 -16.939 -5.791 1.00 0.00 C ATOM 394 CZ PHE A 27 -4.940 -15.812 -4.986 1.00 0.00 C ATOM 0 H PHE A 27 -9.561 -17.437 -9.599 1.00 0.00 H new ATOM 0 HA PHE A 27 -8.195 -18.709 -7.535 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.162 -17.062 -9.044 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -8.230 -15.798 -8.466 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -7.787 -14.627 -6.422 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -5.479 -18.100 -7.447 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -6.195 -14.108 -4.592 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -3.889 -17.583 -5.615 1.00 0.00 H new ATOM 0 HZ PHE A 27 -4.247 -15.586 -4.189 1.00 0.00 H new ATOM 404 N ASP A 28 -9.108 -18.047 -5.334 1.00 0.00 N ATOM 405 CA ASP A 28 -9.677 -17.706 -4.036 1.00 0.00 C ATOM 406 C ASP A 28 -8.733 -16.785 -3.273 1.00 0.00 C ATOM 407 O ASP A 28 -7.735 -17.232 -2.710 1.00 0.00 O ATOM 408 CB ASP A 28 -9.923 -18.978 -3.221 1.00 0.00 C ATOM 409 CG ASP A 28 -10.557 -18.622 -1.880 1.00 0.00 C ATOM 410 OD1 ASP A 28 -10.923 -19.535 -1.161 1.00 0.00 O ATOM 411 OD2 ASP A 28 -10.666 -17.441 -1.594 1.00 0.00 O ATOM 0 H ASP A 28 -8.515 -18.877 -5.335 1.00 0.00 H new ATOM 0 HA ASP A 28 -10.625 -17.192 -4.195 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -10.576 -19.654 -3.774 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -8.982 -19.505 -3.060 1.00 0.00 H new ATOM 416 N ASP A 29 -9.053 -15.497 -3.269 1.00 0.00 N ATOM 417 CA ASP A 29 -8.220 -14.519 -2.582 1.00 0.00 C ATOM 418 C ASP A 29 -8.320 -14.683 -1.069 1.00 0.00 C ATOM 419 O ASP A 29 -7.457 -14.210 -0.330 1.00 0.00 O ATOM 420 CB ASP A 29 -8.658 -13.106 -2.971 1.00 0.00 C ATOM 421 CG ASP A 29 -10.107 -12.874 -2.556 1.00 0.00 C ATOM 422 OD1 ASP A 29 -10.683 -13.772 -1.963 1.00 0.00 O ATOM 423 OD2 ASP A 29 -10.620 -11.804 -2.836 1.00 0.00 O ATOM 0 H ASP A 29 -9.876 -15.108 -3.729 1.00 0.00 H new ATOM 0 HA ASP A 29 -7.184 -14.681 -2.880 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -8.012 -12.371 -2.491 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -8.553 -12.968 -4.047 1.00 0.00 H new ATOM 428 N SER A 30 -9.370 -15.358 -0.611 1.00 0.00 N ATOM 429 CA SER A 30 -9.551 -15.575 0.820 1.00 0.00 C ATOM 430 C SER A 30 -8.428 -16.443 1.382 1.00 0.00 C ATOM 431 O SER A 30 -7.896 -16.169 2.456 1.00 0.00 O ATOM 432 CB SER A 30 -10.898 -16.250 1.079 1.00 0.00 C ATOM 433 OG SER A 30 -11.947 -15.366 0.711 1.00 0.00 O ATOM 0 H SER A 30 -10.099 -15.759 -1.201 1.00 0.00 H new ATOM 0 HA SER A 30 -9.527 -14.606 1.319 1.00 0.00 H new ATOM 0 HB2 SER A 30 -10.970 -17.175 0.507 1.00 0.00 H new ATOM 0 HB3 SER A 30 -10.986 -16.519 2.132 1.00 0.00 H new ATOM 0 HG SER A 30 -12.811 -15.798 0.875 1.00 0.00 H new ATOM 439 N ALA A 31 -8.077 -17.491 0.643 1.00 0.00 N ATOM 440 CA ALA A 31 -7.016 -18.399 1.070 1.00 0.00 C ATOM 441 C ALA A 31 -5.680 -17.675 1.144 1.00 0.00 C ATOM 442 O ALA A 31 -4.881 -17.909 2.051 1.00 0.00 O ATOM 443 CB ALA A 31 -6.914 -19.580 0.104 1.00 0.00 C ATOM 0 H ALA A 31 -8.508 -17.732 -0.249 1.00 0.00 H new ATOM 0 HA ALA A 31 -7.264 -18.769 2.065 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -6.120 -20.251 0.432 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -7.861 -20.120 0.088 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -6.688 -19.213 -0.897 1.00 0.00 H new ATOM 449 N TYR A 32 -5.447 -16.795 0.182 1.00 0.00 N ATOM 450 CA TYR A 32 -4.209 -16.034 0.138 1.00 0.00 C ATOM 451 C TYR A 32 -4.063 -15.226 1.421 1.00 0.00 C ATOM 452 O TYR A 32 -2.983 -15.143 2.003 1.00 0.00 O ATOM 453 CB TYR A 32 -4.228 -15.088 -1.064 1.00 0.00 C ATOM 454 CG TYR A 32 -2.900 -14.377 -1.180 1.00 0.00 C ATOM 455 CD1 TYR A 32 -2.716 -13.128 -0.577 1.00 0.00 C ATOM 456 CD2 TYR A 32 -1.856 -14.968 -1.903 1.00 0.00 C ATOM 457 CE1 TYR A 32 -1.486 -12.469 -0.694 1.00 0.00 C ATOM 458 CE2 TYR A 32 -0.627 -14.309 -2.019 1.00 0.00 C ATOM 459 CZ TYR A 32 -0.441 -13.060 -1.415 1.00 0.00 C ATOM 460 OH TYR A 32 0.771 -12.410 -1.532 1.00 0.00 O ATOM 0 H TYR A 32 -6.098 -16.591 -0.577 1.00 0.00 H new ATOM 0 HA TYR A 32 -3.367 -16.720 0.043 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -4.431 -15.649 -1.976 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -5.032 -14.360 -0.952 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -3.522 -12.672 -0.021 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -1.999 -15.931 -2.370 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -1.343 -11.505 -0.228 1.00 0.00 H new ATOM 0 HE2 TYR A 32 0.179 -14.765 -2.575 1.00 0.00 H new ATOM 0 HH TYR A 32 1.494 -13.070 -1.564 1.00 0.00 H new ATOM 470 N GLU A 33 -5.170 -14.634 1.848 1.00 0.00 N ATOM 471 CA GLU A 33 -5.189 -13.824 3.058 1.00 0.00 C ATOM 472 C GLU A 33 -4.882 -14.678 4.282 1.00 0.00 C ATOM 473 O GLU A 33 -4.185 -14.244 5.199 1.00 0.00 O ATOM 474 CB GLU A 33 -6.574 -13.206 3.222 1.00 0.00 C ATOM 475 CG GLU A 33 -6.854 -12.303 2.028 1.00 0.00 C ATOM 476 CD GLU A 33 -8.211 -11.627 2.187 1.00 0.00 C ATOM 477 OE1 GLU A 33 -9.051 -11.820 1.323 1.00 0.00 O ATOM 478 OE2 GLU A 33 -8.392 -10.928 3.171 1.00 0.00 O ATOM 0 H GLU A 33 -6.070 -14.700 1.372 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.431 -13.046 2.971 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -7.330 -13.988 3.289 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -6.624 -12.633 4.148 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -6.072 -11.549 1.942 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -6.836 -12.888 1.108 1.00 0.00 H new ATOM 485 N GLU A 34 -5.424 -15.888 4.295 1.00 0.00 N ATOM 486 CA GLU A 34 -5.225 -16.795 5.416 1.00 0.00 C ATOM 487 C GLU A 34 -3.748 -17.113 5.618 1.00 0.00 C ATOM 488 O GLU A 34 -3.261 -17.129 6.747 1.00 0.00 O ATOM 489 CB GLU A 34 -5.997 -18.095 5.176 1.00 0.00 C ATOM 490 CG GLU A 34 -5.780 -19.045 6.356 1.00 0.00 C ATOM 491 CD GLU A 34 -6.341 -18.428 7.633 1.00 0.00 C ATOM 492 OE1 GLU A 34 -5.943 -18.862 8.700 1.00 0.00 O ATOM 493 OE2 GLU A 34 -7.161 -17.532 7.522 1.00 0.00 O ATOM 0 H GLU A 34 -6.003 -16.263 3.544 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.596 -16.303 6.315 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -7.060 -17.882 5.058 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.661 -18.564 4.251 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -6.268 -20.000 6.159 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.716 -19.249 6.478 1.00 0.00 H new ATOM 500 N ALA A 35 -3.035 -17.370 4.525 1.00 0.00 N ATOM 501 CA ALA A 35 -1.613 -17.692 4.621 1.00 0.00 C ATOM 502 C ALA A 35 -0.761 -16.427 4.595 1.00 0.00 C ATOM 503 O ALA A 35 0.145 -16.259 5.412 1.00 0.00 O ATOM 504 CB ALA A 35 -1.208 -18.604 3.463 1.00 0.00 C ATOM 0 H ALA A 35 -3.410 -17.362 3.576 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.444 -18.203 5.569 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.147 -18.840 3.540 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.789 -19.525 3.505 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.399 -18.097 2.517 1.00 0.00 H new ATOM 510 N TYR A 36 -1.050 -15.547 3.645 1.00 0.00 N ATOM 511 CA TYR A 36 -0.298 -14.305 3.510 1.00 0.00 C ATOM 512 C TYR A 36 -0.689 -13.309 4.595 1.00 0.00 C ATOM 513 O TYR A 36 0.126 -12.491 5.022 1.00 0.00 O ATOM 514 CB TYR A 36 -0.550 -13.698 2.130 1.00 0.00 C ATOM 515 CG TYR A 36 0.094 -14.571 1.080 1.00 0.00 C ATOM 516 CD1 TYR A 36 1.388 -14.285 0.630 1.00 0.00 C ATOM 517 CD2 TYR A 36 -0.598 -15.675 0.565 1.00 0.00 C ATOM 518 CE1 TYR A 36 1.991 -15.101 -0.335 1.00 0.00 C ATOM 519 CE2 TYR A 36 0.004 -16.490 -0.403 1.00 0.00 C ATOM 520 CZ TYR A 36 1.298 -16.202 -0.853 1.00 0.00 C ATOM 521 OH TYR A 36 1.891 -17.004 -1.806 1.00 0.00 O ATOM 0 H TYR A 36 -1.796 -15.668 2.960 1.00 0.00 H new ATOM 0 HA TYR A 36 0.763 -14.530 3.621 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -1.621 -13.616 1.945 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -0.140 -12.689 2.083 1.00 0.00 H new ATOM 0 HD1 TYR A 36 1.922 -13.434 1.027 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -1.595 -15.898 0.914 1.00 0.00 H new ATOM 0 HE1 TYR A 36 2.991 -14.881 -0.680 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -0.530 -17.340 -0.802 1.00 0.00 H new ATOM 0 HH TYR A 36 1.275 -17.723 -2.057 1.00 0.00 H new ATOM 531 N GLY A 37 -1.936 -13.388 5.046 1.00 0.00 N ATOM 532 CA GLY A 37 -2.414 -12.492 6.092 1.00 0.00 C ATOM 533 C GLY A 37 -2.526 -11.061 5.577 1.00 0.00 C ATOM 534 O GLY A 37 -2.484 -10.109 6.357 1.00 0.00 O ATOM 0 H GLY A 37 -2.628 -14.056 4.708 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.386 -12.831 6.450 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.733 -12.524 6.942 1.00 0.00 H new ATOM 538 N VAL A 38 -2.663 -10.911 4.264 1.00 0.00 N ATOM 539 CA VAL A 38 -2.774 -9.581 3.678 1.00 0.00 C ATOM 540 C VAL A 38 -3.960 -9.494 2.720 1.00 0.00 C ATOM 541 O VAL A 38 -4.326 -10.473 2.071 1.00 0.00 O ATOM 542 CB VAL A 38 -1.487 -9.237 2.926 1.00 0.00 C ATOM 543 CG1 VAL A 38 -0.312 -9.220 3.906 1.00 0.00 C ATOM 544 CG2 VAL A 38 -1.232 -10.289 1.844 1.00 0.00 C ATOM 0 H VAL A 38 -2.699 -11.680 3.595 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.933 -8.869 4.488 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.589 -8.255 2.463 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.605 -8.975 3.370 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.493 -8.472 4.678 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.210 -10.201 4.369 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.315 -10.045 1.308 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.131 -11.270 2.307 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.068 -10.302 1.145 1.00 0.00 H new ATOM 554 N SER A 39 -4.551 -8.307 2.652 1.00 0.00 N ATOM 555 CA SER A 39 -5.701 -8.082 1.784 1.00 0.00 C ATOM 556 C SER A 39 -5.305 -8.201 0.316 1.00 0.00 C ATOM 557 O SER A 39 -4.327 -7.596 -0.126 1.00 0.00 O ATOM 558 CB SER A 39 -6.285 -6.693 2.044 1.00 0.00 C ATOM 559 OG SER A 39 -7.360 -6.461 1.143 1.00 0.00 O ATOM 0 H SER A 39 -4.255 -7.489 3.185 1.00 0.00 H new ATOM 0 HA SER A 39 -6.450 -8.842 2.006 1.00 0.00 H new ATOM 0 HB2 SER A 39 -6.636 -6.620 3.073 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.516 -5.932 1.914 1.00 0.00 H new ATOM 0 HG SER A 39 -7.739 -5.572 1.307 1.00 0.00 H new ATOM 565 N VAL A 40 -6.072 -8.986 -0.434 1.00 0.00 N ATOM 566 CA VAL A 40 -5.801 -9.183 -1.855 1.00 0.00 C ATOM 567 C VAL A 40 -6.815 -8.415 -2.697 1.00 0.00 C ATOM 568 O VAL A 40 -8.009 -8.714 -2.673 1.00 0.00 O ATOM 569 CB VAL A 40 -5.874 -10.671 -2.197 1.00 0.00 C ATOM 570 CG1 VAL A 40 -5.579 -10.869 -3.685 1.00 0.00 C ATOM 571 CG2 VAL A 40 -4.842 -11.437 -1.367 1.00 0.00 C ATOM 0 H VAL A 40 -6.884 -9.495 -0.084 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.801 -8.810 -2.075 1.00 0.00 H new ATOM 0 HB VAL A 40 -6.873 -11.046 -1.972 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -5.631 -11.930 -3.928 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -6.314 -10.324 -4.277 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -4.581 -10.494 -3.911 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -4.894 -12.498 -1.611 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.844 -11.062 -1.591 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -5.052 -11.298 -0.307 1.00 0.00 H new ATOM 581 N PRO A 41 -6.365 -7.432 -3.429 1.00 0.00 N ATOM 582 CA PRO A 41 -7.254 -6.596 -4.288 1.00 0.00 C ATOM 583 C PRO A 41 -7.830 -7.368 -5.476 1.00 0.00 C ATOM 584 O PRO A 41 -7.203 -8.285 -6.006 1.00 0.00 O ATOM 585 CB PRO A 41 -6.341 -5.459 -4.756 1.00 0.00 C ATOM 586 CG PRO A 41 -4.957 -6.009 -4.674 1.00 0.00 C ATOM 587 CD PRO A 41 -4.959 -7.006 -3.517 1.00 0.00 C ATOM 0 HA PRO A 41 -8.132 -6.249 -3.743 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -6.583 -5.153 -5.774 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -6.453 -4.579 -4.123 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -4.677 -6.497 -5.607 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -4.232 -5.214 -4.500 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -4.296 -7.849 -3.713 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -4.621 -6.544 -2.589 1.00 0.00 H new ATOM 595 N SER A 42 -9.040 -6.986 -5.870 1.00 0.00 N ATOM 596 CA SER A 42 -9.741 -7.626 -6.980 1.00 0.00 C ATOM 597 C SER A 42 -8.972 -7.494 -8.293 1.00 0.00 C ATOM 598 O SER A 42 -8.994 -8.401 -9.126 1.00 0.00 O ATOM 599 CB SER A 42 -11.126 -7.001 -7.141 1.00 0.00 C ATOM 600 OG SER A 42 -11.801 -7.633 -8.222 1.00 0.00 O ATOM 0 H SER A 42 -9.562 -6.227 -5.432 1.00 0.00 H new ATOM 0 HA SER A 42 -9.829 -8.687 -6.747 1.00 0.00 H new ATOM 0 HB2 SER A 42 -11.699 -7.116 -6.221 1.00 0.00 H new ATOM 0 HB3 SER A 42 -11.036 -5.931 -7.328 1.00 0.00 H new ATOM 0 HG SER A 42 -12.691 -7.237 -8.329 1.00 0.00 H new ATOM 606 N ALA A 43 -8.338 -6.346 -8.497 1.00 0.00 N ATOM 607 CA ALA A 43 -7.616 -6.096 -9.743 1.00 0.00 C ATOM 608 C ALA A 43 -6.550 -7.159 -10.007 1.00 0.00 C ATOM 609 O ALA A 43 -6.387 -7.599 -11.145 1.00 0.00 O ATOM 610 CB ALA A 43 -6.953 -4.719 -9.686 1.00 0.00 C ATOM 0 H ALA A 43 -8.307 -5.579 -7.825 1.00 0.00 H new ATOM 0 HA ALA A 43 -8.339 -6.134 -10.557 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.415 -4.535 -10.616 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.716 -3.953 -9.551 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.254 -4.686 -8.850 1.00 0.00 H new ATOM 616 N VAL A 44 -5.830 -7.583 -8.973 1.00 0.00 N ATOM 617 CA VAL A 44 -4.805 -8.606 -9.170 1.00 0.00 C ATOM 618 C VAL A 44 -5.446 -9.985 -9.304 1.00 0.00 C ATOM 619 O VAL A 44 -5.011 -10.806 -10.111 1.00 0.00 O ATOM 620 CB VAL A 44 -3.817 -8.614 -8.003 1.00 0.00 C ATOM 621 CG1 VAL A 44 -3.091 -7.269 -7.933 1.00 0.00 C ATOM 622 CG2 VAL A 44 -4.571 -8.855 -6.695 1.00 0.00 C ATOM 0 H VAL A 44 -5.931 -7.247 -8.015 1.00 0.00 H new ATOM 0 HA VAL A 44 -4.267 -8.370 -10.088 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.088 -9.410 -8.154 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.388 -7.278 -7.100 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.549 -7.099 -8.864 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.818 -6.470 -7.785 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.866 -8.860 -5.864 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.302 -8.061 -6.545 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -5.083 -9.816 -6.742 1.00 0.00 H new ATOM 632 N VAL A 45 -6.481 -10.233 -8.505 1.00 0.00 N ATOM 633 CA VAL A 45 -7.180 -11.514 -8.533 1.00 0.00 C ATOM 634 C VAL A 45 -7.869 -11.753 -9.874 1.00 0.00 C ATOM 635 O VAL A 45 -7.832 -12.862 -10.407 1.00 0.00 O ATOM 636 CB VAL A 45 -8.223 -11.554 -7.415 1.00 0.00 C ATOM 637 CG1 VAL A 45 -9.104 -12.795 -7.580 1.00 0.00 C ATOM 638 CG2 VAL A 45 -7.515 -11.609 -6.060 1.00 0.00 C ATOM 0 H VAL A 45 -6.853 -9.564 -7.831 1.00 0.00 H new ATOM 0 HA VAL A 45 -6.439 -12.300 -8.388 1.00 0.00 H new ATOM 0 HB VAL A 45 -8.844 -10.659 -7.466 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -9.847 -12.822 -6.783 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -9.609 -12.757 -8.545 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -8.484 -13.690 -7.530 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -8.257 -11.638 -5.262 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.894 -12.503 -6.010 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -6.888 -10.725 -5.941 1.00 0.00 H new ATOM 648 N GLU A 46 -8.510 -10.718 -10.413 1.00 0.00 N ATOM 649 CA GLU A 46 -9.212 -10.859 -11.683 1.00 0.00 C ATOM 650 C GLU A 46 -8.245 -11.244 -12.796 1.00 0.00 C ATOM 651 O GLU A 46 -8.543 -12.116 -13.612 1.00 0.00 O ATOM 652 CB GLU A 46 -9.915 -9.548 -12.044 1.00 0.00 C ATOM 653 CG GLU A 46 -8.872 -8.453 -12.269 1.00 0.00 C ATOM 654 CD GLU A 46 -9.565 -7.132 -12.587 1.00 0.00 C ATOM 655 OE1 GLU A 46 -10.784 -7.117 -12.619 1.00 0.00 O ATOM 656 OE2 GLU A 46 -8.865 -6.153 -12.792 1.00 0.00 O ATOM 0 H GLU A 46 -8.557 -9.788 -9.997 1.00 0.00 H new ATOM 0 HA GLU A 46 -9.954 -11.650 -11.576 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -10.517 -9.682 -12.943 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -10.596 -9.257 -11.245 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -8.251 -8.343 -11.380 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -8.210 -8.733 -13.088 1.00 0.00 H new ATOM 663 N GLU A 47 -7.090 -10.588 -12.833 1.00 0.00 N ATOM 664 CA GLU A 47 -6.103 -10.879 -13.865 1.00 0.00 C ATOM 665 C GLU A 47 -5.675 -12.337 -13.786 1.00 0.00 C ATOM 666 O GLU A 47 -5.575 -13.020 -14.807 1.00 0.00 O ATOM 667 CB GLU A 47 -4.881 -9.974 -13.690 1.00 0.00 C ATOM 668 CG GLU A 47 -3.870 -10.263 -14.801 1.00 0.00 C ATOM 669 CD GLU A 47 -2.668 -9.336 -14.663 1.00 0.00 C ATOM 670 OE1 GLU A 47 -1.765 -9.441 -15.478 1.00 0.00 O ATOM 671 OE2 GLU A 47 -2.664 -8.534 -13.743 1.00 0.00 O ATOM 0 H GLU A 47 -6.817 -9.862 -12.171 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.552 -10.692 -14.841 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.183 -8.927 -13.721 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -4.425 -10.145 -12.715 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.546 -11.303 -14.749 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.338 -10.123 -15.776 1.00 0.00 H new ATOM 678 N MET A 48 -5.443 -12.819 -12.571 1.00 0.00 N ATOM 679 CA MET A 48 -5.046 -14.206 -12.377 1.00 0.00 C ATOM 680 C MET A 48 -6.173 -15.134 -12.818 1.00 0.00 C ATOM 681 O MET A 48 -5.937 -16.168 -13.444 1.00 0.00 O ATOM 682 CB MET A 48 -4.723 -14.450 -10.901 1.00 0.00 C ATOM 683 CG MET A 48 -3.438 -13.704 -10.533 1.00 0.00 C ATOM 684 SD MET A 48 -2.927 -14.169 -8.861 1.00 0.00 S ATOM 685 CE MET A 48 -4.229 -13.282 -7.970 1.00 0.00 C ATOM 0 H MET A 48 -5.522 -12.274 -11.712 1.00 0.00 H new ATOM 0 HA MET A 48 -4.159 -14.411 -12.977 1.00 0.00 H new ATOM 0 HB2 MET A 48 -5.547 -14.108 -10.275 1.00 0.00 H new ATOM 0 HB3 MET A 48 -4.603 -15.517 -10.715 1.00 0.00 H new ATOM 0 HG2 MET A 48 -2.649 -13.944 -11.246 1.00 0.00 H new ATOM 0 HG3 MET A 48 -3.601 -12.628 -10.589 1.00 0.00 H new ATOM 0 HE1 MET A 48 -3.997 -13.269 -6.905 1.00 0.00 H new ATOM 0 HE2 MET A 48 -4.291 -12.259 -8.341 1.00 0.00 H new ATOM 0 HE3 MET A 48 -5.184 -13.784 -8.127 1.00 0.00 H new ATOM 695 N ASN A 49 -7.402 -14.743 -12.496 1.00 0.00 N ATOM 696 CA ASN A 49 -8.574 -15.528 -12.869 1.00 0.00 C ATOM 697 C ASN A 49 -8.711 -15.585 -14.386 1.00 0.00 C ATOM 698 O ASN A 49 -9.063 -16.620 -14.953 1.00 0.00 O ATOM 699 CB ASN A 49 -9.834 -14.907 -12.264 1.00 0.00 C ATOM 700 CG ASN A 49 -9.851 -15.128 -10.756 1.00 0.00 C ATOM 701 OD1 ASN A 49 -9.171 -16.021 -10.252 1.00 0.00 O ATOM 702 ND2 ASN A 49 -10.595 -14.366 -10.002 1.00 0.00 N ATOM 0 H ASN A 49 -7.612 -13.889 -11.979 1.00 0.00 H new ATOM 0 HA ASN A 49 -8.451 -16.541 -12.485 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -9.865 -13.840 -12.484 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -10.721 -15.351 -12.715 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -10.614 -14.510 -8.992 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -11.158 -13.626 -10.422 1.00 0.00 H new ATOM 709 N ALA A 50 -8.428 -14.461 -15.035 1.00 0.00 N ATOM 710 CA ALA A 50 -8.518 -14.384 -16.488 1.00 0.00 C ATOM 711 C ALA A 50 -7.541 -15.363 -17.128 1.00 0.00 C ATOM 712 O ALA A 50 -7.864 -16.021 -18.115 1.00 0.00 O ATOM 713 CB ALA A 50 -8.204 -12.962 -16.958 1.00 0.00 C ATOM 0 H ALA A 50 -8.136 -13.595 -14.581 1.00 0.00 H new ATOM 0 HA ALA A 50 -9.532 -14.645 -16.789 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.274 -12.914 -18.045 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -8.919 -12.267 -16.518 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.195 -12.690 -16.647 1.00 0.00 H new ATOM 719 N LYS A 51 -6.345 -15.447 -16.559 1.00 0.00 N ATOM 720 CA LYS A 51 -5.322 -16.344 -17.084 1.00 0.00 C ATOM 721 C LYS A 51 -5.792 -17.793 -17.019 1.00 0.00 C ATOM 722 O LYS A 51 -5.553 -18.570 -17.941 1.00 0.00 O ATOM 723 CB LYS A 51 -4.029 -16.189 -16.282 1.00 0.00 C ATOM 724 CG LYS A 51 -3.403 -14.824 -16.579 1.00 0.00 C ATOM 725 CD LYS A 51 -2.110 -14.669 -15.776 1.00 0.00 C ATOM 726 CE LYS A 51 -1.482 -13.308 -16.078 1.00 0.00 C ATOM 727 NZ LYS A 51 -0.227 -13.154 -15.290 1.00 0.00 N ATOM 0 H LYS A 51 -6.060 -14.910 -15.740 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.137 -16.081 -18.126 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.237 -16.281 -15.216 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -3.331 -16.985 -16.541 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -3.195 -14.732 -17.645 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -4.101 -14.028 -16.321 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.319 -14.756 -14.710 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -1.413 -15.468 -16.031 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.268 -13.223 -17.143 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.181 -12.510 -15.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 0.017 -12.146 -15.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -0.366 -13.543 -14.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 0.545 -13.665 -15.763 1.00 0.00 H new ATOM 741 N ALA A 52 -6.466 -18.150 -15.930 1.00 0.00 N ATOM 742 CA ALA A 52 -6.965 -19.511 -15.755 1.00 0.00 C ATOM 743 C ALA A 52 -7.932 -19.882 -16.873 1.00 0.00 C ATOM 744 O ALA A 52 -7.961 -21.025 -17.329 1.00 0.00 O ATOM 745 CB ALA A 52 -7.674 -19.638 -14.405 1.00 0.00 C ATOM 0 H ALA A 52 -6.679 -17.519 -15.158 1.00 0.00 H new ATOM 0 HA ALA A 52 -6.115 -20.192 -15.787 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -8.043 -20.656 -14.282 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -6.973 -19.407 -13.603 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -8.511 -18.941 -14.367 1.00 0.00 H new ATOM 751 N ALA A 53 -8.720 -18.909 -17.311 1.00 0.00 N ATOM 752 CA ALA A 53 -9.682 -19.137 -18.380 1.00 0.00 C ATOM 753 C ALA A 53 -8.976 -19.576 -19.660 1.00 0.00 C ATOM 754 O ALA A 53 -9.483 -20.415 -20.404 1.00 0.00 O ATOM 755 CB ALA A 53 -10.479 -17.858 -18.647 1.00 0.00 C ATOM 0 H ALA A 53 -8.712 -17.957 -16.944 1.00 0.00 H new ATOM 0 HA ALA A 53 -10.360 -19.930 -18.066 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -11.196 -18.037 -19.448 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -11.011 -17.565 -17.742 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -9.798 -17.060 -18.942 1.00 0.00 H new ATOM 761 N GLN A 54 -7.804 -18.999 -19.912 1.00 0.00 N ATOM 762 CA GLN A 54 -7.042 -19.341 -21.110 1.00 0.00 C ATOM 763 C GLN A 54 -6.114 -20.529 -20.857 1.00 0.00 C ATOM 764 O GLN A 54 -5.570 -21.108 -21.797 1.00 0.00 O ATOM 765 CB GLN A 54 -6.214 -18.136 -21.565 1.00 0.00 C ATOM 766 CG GLN A 54 -7.108 -17.166 -22.338 1.00 0.00 C ATOM 767 CD GLN A 54 -8.035 -16.428 -21.379 1.00 0.00 C ATOM 768 OE1 GLN A 54 -9.256 -16.511 -21.509 1.00 0.00 O ATOM 769 NE2 GLN A 54 -7.524 -15.705 -20.422 1.00 0.00 N ATOM 0 H GLN A 54 -7.365 -18.301 -19.311 1.00 0.00 H new ATOM 0 HA GLN A 54 -7.751 -19.617 -21.890 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -5.777 -17.635 -20.701 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -5.388 -18.466 -22.194 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -6.494 -16.451 -22.885 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -7.696 -17.711 -23.076 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -6.511 -15.639 -20.318 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -8.137 -15.205 -19.777 1.00 0.00 H new ATOM 778 N LEU A 55 -5.927 -20.887 -19.589 1.00 0.00 N ATOM 779 CA LEU A 55 -5.050 -22.006 -19.251 1.00 0.00 C ATOM 780 C LEU A 55 -5.607 -23.328 -19.766 1.00 0.00 C ATOM 781 O LEU A 55 -6.790 -23.629 -19.605 1.00 0.00 O ATOM 782 CB LEU A 55 -4.854 -22.096 -17.735 1.00 0.00 C ATOM 783 CG LEU A 55 -3.906 -20.989 -17.272 1.00 0.00 C ATOM 784 CD1 LEU A 55 -3.917 -20.912 -15.745 1.00 0.00 C ATOM 785 CD2 LEU A 55 -2.487 -21.302 -17.752 1.00 0.00 C ATOM 0 H LEU A 55 -6.363 -20.427 -18.790 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.090 -21.822 -19.733 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.814 -22.001 -17.228 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.447 -23.072 -17.468 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.232 -20.035 -17.687 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -3.241 -20.123 -15.416 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.927 -20.693 -15.399 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.591 -21.866 -15.330 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -1.810 -20.514 -17.423 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.164 -22.256 -17.335 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.475 -21.359 -18.840 1.00 0.00 H new ATOM 797 N LYS A 56 -4.731 -24.110 -20.385 1.00 0.00 N ATOM 798 CA LYS A 56 -5.111 -25.408 -20.929 1.00 0.00 C ATOM 799 C LYS A 56 -4.786 -26.516 -19.932 1.00 0.00 C ATOM 800 O LYS A 56 -4.101 -26.284 -18.937 1.00 0.00 O ATOM 801 CB LYS A 56 -4.367 -25.662 -22.241 1.00 0.00 C ATOM 802 CG LYS A 56 -4.825 -24.646 -23.290 1.00 0.00 C ATOM 803 CD LYS A 56 -4.087 -24.900 -24.605 1.00 0.00 C ATOM 804 CE LYS A 56 -4.569 -23.904 -25.663 1.00 0.00 C ATOM 805 NZ LYS A 56 -4.225 -22.519 -25.234 1.00 0.00 N ATOM 0 H LYS A 56 -3.750 -23.867 -20.523 1.00 0.00 H new ATOM 0 HA LYS A 56 -6.185 -25.406 -21.118 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -3.292 -25.579 -22.084 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -4.561 -26.676 -22.592 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -5.901 -24.726 -23.444 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -4.628 -23.633 -22.940 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -3.012 -24.797 -24.457 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -4.266 -25.921 -24.943 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -4.104 -24.125 -26.624 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -5.646 -23.997 -25.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -4.249 -21.884 -26.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -4.914 -22.194 -24.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -3.272 -22.511 -24.819 1.00 0.00 H new ATOM 819 N ASP A 57 -5.278 -27.719 -20.206 1.00 0.00 N ATOM 820 CA ASP A 57 -5.026 -28.853 -19.325 1.00 0.00 C ATOM 821 C ASP A 57 -3.525 -29.084 -19.178 1.00 0.00 C ATOM 822 O ASP A 57 -2.767 -28.925 -20.134 1.00 0.00 O ATOM 823 CB ASP A 57 -5.686 -30.111 -19.891 1.00 0.00 C ATOM 824 CG ASP A 57 -5.576 -31.254 -18.887 1.00 0.00 C ATOM 825 OD1 ASP A 57 -6.157 -31.139 -17.821 1.00 0.00 O ATOM 826 OD2 ASP A 57 -4.910 -32.227 -19.199 1.00 0.00 O ATOM 0 H ASP A 57 -5.849 -27.933 -21.024 1.00 0.00 H new ATOM 0 HA ASP A 57 -5.449 -28.634 -18.345 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -6.734 -29.912 -20.115 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -5.207 -30.392 -20.829 1.00 0.00 H new ATOM 831 N GLY A 58 -3.101 -29.458 -17.974 1.00 0.00 N ATOM 832 CA GLY A 58 -1.686 -29.704 -17.719 1.00 0.00 C ATOM 833 C GLY A 58 -0.944 -28.399 -17.448 1.00 0.00 C ATOM 834 O GLY A 58 0.285 -28.353 -17.494 1.00 0.00 O ATOM 0 H GLY A 58 -3.710 -29.596 -17.168 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -1.578 -30.372 -16.865 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -1.241 -30.208 -18.577 1.00 0.00 H new ATOM 838 N GLU A 59 -1.696 -27.343 -17.158 1.00 0.00 N ATOM 839 CA GLU A 59 -1.096 -26.044 -16.872 1.00 0.00 C ATOM 840 C GLU A 59 -1.671 -25.454 -15.590 1.00 0.00 C ATOM 841 O GLU A 59 -2.829 -25.694 -15.250 1.00 0.00 O ATOM 842 CB GLU A 59 -1.335 -25.082 -18.034 1.00 0.00 C ATOM 843 CG GLU A 59 -0.529 -25.545 -19.248 1.00 0.00 C ATOM 844 CD GLU A 59 -0.855 -24.674 -20.456 1.00 0.00 C ATOM 845 OE1 GLU A 59 -0.162 -24.792 -21.452 1.00 0.00 O ATOM 846 OE2 GLU A 59 -1.793 -23.899 -20.367 1.00 0.00 O ATOM 0 H GLU A 59 -2.715 -27.359 -17.115 1.00 0.00 H new ATOM 0 HA GLU A 59 -0.024 -26.188 -16.741 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -2.396 -25.047 -18.280 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -1.040 -24.072 -17.751 1.00 0.00 H new ATOM 0 HG2 GLU A 59 0.537 -25.491 -19.028 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -0.757 -26.588 -19.469 1.00 0.00 H new ATOM 853 N TRP A 60 -0.857 -24.673 -14.888 1.00 0.00 N ATOM 854 CA TRP A 60 -1.298 -24.042 -13.652 1.00 0.00 C ATOM 855 C TRP A 60 -0.776 -22.615 -13.577 1.00 0.00 C ATOM 856 O TRP A 60 0.279 -22.302 -14.129 1.00 0.00 O ATOM 857 CB TRP A 60 -0.802 -24.833 -12.440 1.00 0.00 C ATOM 858 CG TRP A 60 -1.167 -26.274 -12.597 1.00 0.00 C ATOM 859 CD1 TRP A 60 -0.283 -27.292 -12.650 1.00 0.00 C ATOM 860 CD2 TRP A 60 -2.489 -26.872 -12.737 1.00 0.00 C ATOM 861 NE1 TRP A 60 -0.975 -28.481 -12.805 1.00 0.00 N ATOM 862 CE2 TRP A 60 -2.337 -28.273 -12.864 1.00 0.00 C ATOM 863 CE3 TRP A 60 -3.792 -26.342 -12.764 1.00 0.00 C ATOM 864 CZ2 TRP A 60 -3.437 -29.118 -13.012 1.00 0.00 C ATOM 865 CZ3 TRP A 60 -4.900 -27.189 -12.912 1.00 0.00 C ATOM 866 CH2 TRP A 60 -4.724 -28.574 -13.037 1.00 0.00 C ATOM 0 H TRP A 60 0.106 -24.463 -15.152 1.00 0.00 H new ATOM 0 HA TRP A 60 -2.388 -24.028 -13.644 1.00 0.00 H new ATOM 0 HB2 TRP A 60 0.279 -24.730 -12.343 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -1.243 -24.433 -11.527 1.00 0.00 H new ATOM 0 HD1 TRP A 60 0.791 -27.195 -12.582 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -0.532 -29.398 -12.868 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -3.940 -25.276 -12.670 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -3.295 -30.184 -13.107 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -5.896 -26.771 -12.930 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -5.582 -29.220 -13.152 1.00 0.00 H new ATOM 877 N LEU A 61 -1.511 -21.756 -12.889 1.00 0.00 N ATOM 878 CA LEU A 61 -1.104 -20.366 -12.747 1.00 0.00 C ATOM 879 C LEU A 61 -0.399 -20.170 -11.408 1.00 0.00 C ATOM 880 O LEU A 61 -0.867 -20.652 -10.376 1.00 0.00 O ATOM 881 CB LEU A 61 -2.322 -19.449 -12.835 1.00 0.00 C ATOM 882 CG LEU A 61 -1.866 -17.997 -12.725 1.00 0.00 C ATOM 883 CD1 LEU A 61 -0.909 -17.685 -13.877 1.00 0.00 C ATOM 884 CD2 LEU A 61 -3.082 -17.072 -12.806 1.00 0.00 C ATOM 0 H LEU A 61 -2.387 -21.994 -12.423 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.417 -20.113 -13.554 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.844 -19.608 -13.778 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.027 -19.683 -12.037 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.358 -17.842 -11.773 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.579 -16.649 -13.805 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.044 -18.346 -13.821 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.421 -17.837 -14.827 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -2.756 -16.035 -12.727 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.590 -17.221 -13.759 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.767 -17.300 -11.990 1.00 0.00 H new ATOM 896 N ASN A 62 0.728 -19.466 -11.426 1.00 0.00 N ATOM 897 CA ASN A 62 1.484 -19.220 -10.204 1.00 0.00 C ATOM 898 C ASN A 62 1.186 -17.828 -9.657 1.00 0.00 C ATOM 899 O ASN A 62 1.291 -16.836 -10.375 1.00 0.00 O ATOM 900 CB ASN A 62 2.983 -19.350 -10.483 1.00 0.00 C ATOM 901 CG ASN A 62 3.776 -19.067 -9.212 1.00 0.00 C ATOM 902 OD1 ASN A 62 4.253 -17.949 -9.013 1.00 0.00 O ATOM 903 ND2 ASN A 62 3.947 -20.019 -8.336 1.00 0.00 N ATOM 0 H ASN A 62 1.136 -19.058 -12.267 1.00 0.00 H new ATOM 0 HA ASN A 62 1.186 -19.960 -9.461 1.00 0.00 H new ATOM 0 HB2 ASN A 62 3.208 -20.353 -10.846 1.00 0.00 H new ATOM 0 HB3 ASN A 62 3.277 -18.653 -11.268 1.00 0.00 H new ATOM 0 HD21 ASN A 62 4.477 -19.838 -7.483 1.00 0.00 H new ATOM 0 HD22 ASN A 62 3.551 -20.944 -8.504 1.00 0.00 H new ATOM 910 N VAL A 63 0.818 -17.760 -8.383 1.00 0.00 N ATOM 911 CA VAL A 63 0.511 -16.481 -7.755 1.00 0.00 C ATOM 912 C VAL A 63 1.502 -16.195 -6.631 1.00 0.00 C ATOM 913 O VAL A 63 1.700 -17.026 -5.745 1.00 0.00 O ATOM 914 CB VAL A 63 -0.909 -16.508 -7.188 1.00 0.00 C ATOM 915 CG1 VAL A 63 -1.218 -15.168 -6.518 1.00 0.00 C ATOM 916 CG2 VAL A 63 -1.906 -16.756 -8.323 1.00 0.00 C ATOM 0 H VAL A 63 0.725 -18.569 -7.769 1.00 0.00 H new ATOM 0 HA VAL A 63 0.587 -15.695 -8.506 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.991 -17.307 -6.452 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -2.230 -15.188 -6.114 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.508 -14.993 -5.710 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.136 -14.367 -7.252 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.919 -16.775 -7.920 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -1.824 -15.957 -9.060 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -1.686 -17.712 -8.798 1.00 0.00 H new ATOM 926 N SER A 64 2.129 -15.023 -6.674 1.00 0.00 N ATOM 927 CA SER A 64 3.103 -14.648 -5.656 1.00 0.00 C ATOM 928 C SER A 64 3.192 -13.128 -5.546 1.00 0.00 C ATOM 929 O SER A 64 2.617 -12.404 -6.358 1.00 0.00 O ATOM 930 CB SER A 64 4.476 -15.220 -6.009 1.00 0.00 C ATOM 931 OG SER A 64 4.961 -14.585 -7.185 1.00 0.00 O ATOM 0 H SER A 64 1.981 -14.321 -7.399 1.00 0.00 H new ATOM 0 HA SER A 64 2.781 -15.055 -4.698 1.00 0.00 H new ATOM 0 HB2 SER A 64 5.171 -15.063 -5.184 1.00 0.00 H new ATOM 0 HB3 SER A 64 4.405 -16.296 -6.166 1.00 0.00 H new ATOM 0 HG SER A 64 4.204 -14.301 -7.739 1.00 0.00 H new ATOM 937 N HIS A 65 3.912 -12.649 -4.536 1.00 0.00 N ATOM 938 CA HIS A 65 4.061 -11.211 -4.330 1.00 0.00 C ATOM 939 C HIS A 65 5.457 -10.900 -3.802 1.00 0.00 C ATOM 940 O HIS A 65 6.146 -11.786 -3.298 1.00 0.00 O ATOM 941 CB HIS A 65 3.023 -10.722 -3.322 1.00 0.00 C ATOM 942 CG HIS A 65 3.375 -11.246 -1.956 1.00 0.00 C ATOM 943 ND1 HIS A 65 3.128 -12.555 -1.579 1.00 0.00 N ATOM 944 CD2 HIS A 65 3.962 -10.647 -0.870 1.00 0.00 C ATOM 945 CE1 HIS A 65 3.564 -12.703 -0.315 1.00 0.00 C ATOM 946 NE2 HIS A 65 4.082 -11.569 0.166 1.00 0.00 N ATOM 0 H HIS A 65 4.398 -13.229 -3.852 1.00 0.00 H new ATOM 0 HA HIS A 65 3.913 -10.704 -5.283 1.00 0.00 H new ATOM 0 HB2 HIS A 65 2.995 -9.632 -3.311 1.00 0.00 H new ATOM 0 HB3 HIS A 65 2.029 -11.064 -3.611 1.00 0.00 H new ATOM 0 HD2 HIS A 65 4.282 -9.617 -0.826 1.00 0.00 H new ATOM 0 HE1 HIS A 65 3.503 -13.626 0.243 1.00 0.00 H new ATOM 0 HE2 HIS A 65 4.479 -11.413 1.092 1.00 0.00 H new ATOM 954 N GLU A 66 5.873 -9.641 -3.918 1.00 0.00 N ATOM 955 CA GLU A 66 7.191 -9.244 -3.443 1.00 0.00 C ATOM 956 C GLU A 66 7.152 -8.918 -1.953 1.00 0.00 C ATOM 957 O GLU A 66 6.368 -8.078 -1.514 1.00 0.00 O ATOM 958 CB GLU A 66 7.675 -8.018 -4.220 1.00 0.00 C ATOM 959 CG GLU A 66 9.150 -7.765 -3.912 1.00 0.00 C ATOM 960 CD GLU A 66 9.288 -7.011 -2.594 1.00 0.00 C ATOM 961 OE1 GLU A 66 10.322 -7.146 -1.961 1.00 0.00 O ATOM 962 OE2 GLU A 66 8.356 -6.310 -2.235 1.00 0.00 O ATOM 0 H GLU A 66 5.323 -8.888 -4.332 1.00 0.00 H new ATOM 0 HA GLU A 66 7.878 -10.075 -3.603 1.00 0.00 H new ATOM 0 HB2 GLU A 66 7.538 -8.176 -5.290 1.00 0.00 H new ATOM 0 HB3 GLU A 66 7.081 -7.145 -3.948 1.00 0.00 H new ATOM 0 HG2 GLU A 66 9.686 -8.713 -3.856 1.00 0.00 H new ATOM 0 HG3 GLU A 66 9.604 -7.190 -4.718 1.00 0.00 H new ATOM 969 N ALA A 67 8.001 -9.588 -1.184 1.00 0.00 N ATOM 970 CA ALA A 67 8.055 -9.362 0.255 1.00 0.00 C ATOM 971 C ALA A 67 9.497 -9.395 0.749 1.00 0.00 C ATOM 972 O ALA A 67 9.762 -10.115 1.698 1.00 0.00 O ATOM 973 CB ALA A 67 7.241 -10.433 0.983 1.00 0.00 C ATOM 0 H ALA A 67 8.658 -10.288 -1.529 1.00 0.00 H new ATOM 0 HA ALA A 67 7.633 -8.379 0.465 1.00 0.00 H new ATOM 0 HB1 ALA A 67 7.287 -10.257 2.058 1.00 0.00 H new ATOM 0 HB2 ALA A 67 6.203 -10.389 0.652 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.652 -11.417 0.759 1.00 0.00 H new TER 979 ALA A 67